smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368827 844163716 /nfs/dbraw/zinc/16/37/16/844163716.db2.gz PKLFGGBXLPDFIE-APWZRJJASA-N 1 3 355.523 0.754 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368827 844163717 /nfs/dbraw/zinc/16/37/17/844163717.db2.gz PKLFGGBXLPDFIE-APWZRJJASA-N 1 3 355.523 0.754 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474275 844198884 /nfs/dbraw/zinc/19/88/84/844198884.db2.gz QQKCVHZGGKCPTL-MDZRGWNJSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102048945 844395640 /nfs/dbraw/zinc/39/56/40/844395640.db2.gz WBXMUAPGYBZSTD-HUUCEWRRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102048945 844395650 /nfs/dbraw/zinc/39/56/50/844395650.db2.gz WBXMUAPGYBZSTD-HUUCEWRRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048452 844396203 /nfs/dbraw/zinc/39/62/03/844396203.db2.gz CDKJKTHBWKYILK-BMFZPTHFSA-N 1 3 351.495 0.036 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048452 844396208 /nfs/dbraw/zinc/39/62/08/844396208.db2.gz CDKJKTHBWKYILK-BMFZPTHFSA-N 1 3 351.495 0.036 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059577 844399818 /nfs/dbraw/zinc/39/98/18/844399818.db2.gz VWUCHVUUMLRHCH-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059577 844399826 /nfs/dbraw/zinc/39/98/26/844399826.db2.gz VWUCHVUUMLRHCH-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001078012245 839291512 /nfs/dbraw/zinc/29/15/12/839291512.db2.gz YPWNVNRMYVPNMI-ZACQAIPSSA-N 1 3 351.491 0.449 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190502 844439995 /nfs/dbraw/zinc/43/99/95/844439995.db2.gz ASLJIRWSRFKCPQ-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287335 844458777 /nfs/dbraw/zinc/45/87/77/844458777.db2.gz ZFYPJUMWJQVCME-HUUCEWRRSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294216 844459976 /nfs/dbraw/zinc/45/99/76/844459976.db2.gz OTLGRXHRVGDTHU-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102315800 844466499 /nfs/dbraw/zinc/46/64/99/844466499.db2.gz DIGFONVQUBANIA-GDBMZVCRSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783515 839798730 /nfs/dbraw/zinc/79/87/30/839798730.db2.gz UWMKUCRAAGQYNK-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783515 839798743 /nfs/dbraw/zinc/79/87/43/839798743.db2.gz UWMKUCRAAGQYNK-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377159 844480572 /nfs/dbraw/zinc/48/05/72/844480572.db2.gz RANIBVDDQWBFRX-OAGGEKHMSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377159 844480578 /nfs/dbraw/zinc/48/05/78/844480578.db2.gz RANIBVDDQWBFRX-OAGGEKHMSA-N 1 3 352.523 0.879 20 0 FCADHO CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001081894970 840091851 /nfs/dbraw/zinc/09/18/51/840091851.db2.gz LSVJOGISZRAING-GVDBMIGSSA-N 1 3 351.491 0.857 20 0 FCADHO CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001081894970 840091856 /nfs/dbraw/zinc/09/18/56/840091856.db2.gz LSVJOGISZRAING-GVDBMIGSSA-N 1 3 351.491 0.857 20 0 FCADHO CO[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894970 840091865 /nfs/dbraw/zinc/09/18/65/840091865.db2.gz LSVJOGISZRAING-GVDBMIGSSA-N 1 3 351.491 0.857 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082448064 840415444 /nfs/dbraw/zinc/41/54/44/840415444.db2.gz BVNQODSDDHKHKR-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513753 844544973 /nfs/dbraw/zinc/54/49/73/844544973.db2.gz ADRRJCLXSLEHRH-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513753 844544974 /nfs/dbraw/zinc/54/49/74/844544974.db2.gz ADRRJCLXSLEHRH-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082681663 840521478 /nfs/dbraw/zinc/52/14/78/840521478.db2.gz KCKANSXUOGLPFY-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)n1 ZINC001082724745 840538269 /nfs/dbraw/zinc/53/82/69/840538269.db2.gz GIGQQSBTRAAQBE-KBRIMQKVSA-N 1 3 350.511 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082743401 840543598 /nfs/dbraw/zinc/54/35/98/840543598.db2.gz YNKHUTVRVSATKP-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082743711 840544885 /nfs/dbraw/zinc/54/48/85/840544885.db2.gz WVUFFQHIQBJCNC-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082766689 840548695 /nfs/dbraw/zinc/54/86/95/840548695.db2.gz RQHGMGRQMRLBPS-VNHYZAJKSA-N 1 3 354.476 0.214 20 0 FCADHO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)C1=O ZINC001082822233 840574639 /nfs/dbraw/zinc/57/46/39/840574639.db2.gz SJMNWMWMKRIGES-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600387 844591727 /nfs/dbraw/zinc/59/17/27/844591727.db2.gz CPGFZZGPOGPYSO-NVXWUHKLSA-N 1 3 356.511 0.163 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600387 844591732 /nfs/dbraw/zinc/59/17/32/844591732.db2.gz CPGFZZGPOGPYSO-NVXWUHKLSA-N 1 3 356.511 0.163 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083669202 841293087 /nfs/dbraw/zinc/29/30/87/841293087.db2.gz XYHAGHHJVXKEQG-FGTMMUONSA-N 1 3 351.491 0.449 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083669202 841293094 /nfs/dbraw/zinc/29/30/94/841293094.db2.gz XYHAGHHJVXKEQG-FGTMMUONSA-N 1 3 351.491 0.449 20 0 FCADHO CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782691 841431820 /nfs/dbraw/zinc/43/18/20/841431820.db2.gz HESUKDWZAPYKAT-XHSDSOJGSA-N 1 3 353.507 0.695 20 0 FCADHO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782691 841431824 /nfs/dbraw/zinc/43/18/24/841431824.db2.gz HESUKDWZAPYKAT-XHSDSOJGSA-N 1 3 353.507 0.695 20 0 FCADHO Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1 ZINC001083887643 841534791 /nfs/dbraw/zinc/53/47/91/841534791.db2.gz CZOQKEXYIJMHPQ-CVEARBPZSA-N 1 3 366.531 0.887 20 0 FCADHO Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1 ZINC001083887643 841534797 /nfs/dbraw/zinc/53/47/97/841534797.db2.gz CZOQKEXYIJMHPQ-CVEARBPZSA-N 1 3 366.531 0.887 20 0 FCADHO Cc1ncsc1CCN1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887643 841534804 /nfs/dbraw/zinc/53/48/04/841534804.db2.gz CZOQKEXYIJMHPQ-CVEARBPZSA-N 1 3 366.531 0.887 20 0 FCADHO CC(=O)[C@H](C)N1C[C@]2(CCN(CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833367 861218512 /nfs/dbraw/zinc/21/85/12/861218512.db2.gz CIULDASTJJPPSJ-HNAYVOBHSA-N 1 3 351.491 0.999 20 0 FCADHO CC(=O)N1CCC(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001275893439 861251113 /nfs/dbraw/zinc/25/11/13/861251113.db2.gz YMNYYDFDMOXLIM-IBGZPJMESA-N 1 3 350.507 0.731 20 0 FCADHO CC(=O)N1CCC(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001275893439 861251131 /nfs/dbraw/zinc/25/11/31/861251131.db2.gz YMNYYDFDMOXLIM-IBGZPJMESA-N 1 3 350.507 0.731 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087084664 842277837 /nfs/dbraw/zinc/27/78/37/842277837.db2.gz NIQOAWVGLBFZCO-VNQPRFMTSA-N 1 3 352.483 0.108 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087096387 842287109 /nfs/dbraw/zinc/28/71/09/842287109.db2.gz KPPZDZXNGISGAB-SQWLQELKSA-N 1 3 367.519 0.833 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087096387 842287122 /nfs/dbraw/zinc/28/71/22/842287122.db2.gz KPPZDZXNGISGAB-SQWLQELKSA-N 1 3 367.519 0.833 20 0 FCADHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001087222716 842321391 /nfs/dbraw/zinc/32/13/91/842321391.db2.gz PJNHPBCCQHERKV-HYVNUMGLSA-N 1 3 350.507 0.824 20 0 FCADHO COCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942075 842775569 /nfs/dbraw/zinc/77/55/69/842775569.db2.gz POXGTWMEKCGANG-IXDOHACOSA-N 1 3 353.507 0.960 20 0 FCADHO COCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942075 842775576 /nfs/dbraw/zinc/77/55/76/842775576.db2.gz POXGTWMEKCGANG-IXDOHACOSA-N 1 3 353.507 0.960 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071907 843153074 /nfs/dbraw/zinc/15/30/74/843153074.db2.gz JJACOLPCVWALPB-MDZRGWNJSA-N 1 3 350.507 0.763 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721017 843285328 /nfs/dbraw/zinc/28/53/28/843285328.db2.gz DNGGXEWFYZCSAP-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001092758613 843294330 /nfs/dbraw/zinc/29/43/30/843294330.db2.gz XCRVYDKZIMYZLQ-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001092758613 843294340 /nfs/dbraw/zinc/29/43/40/843294340.db2.gz XCRVYDKZIMYZLQ-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120107 843393204 /nfs/dbraw/zinc/39/32/04/843393204.db2.gz BNXQPAGFKZEEAH-CKEIUWERSA-N 1 3 350.507 0.666 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099223184 843978436 /nfs/dbraw/zinc/97/84/36/843978436.db2.gz ICABBQOHLRPZSI-MCIONIFRSA-N 1 3 359.396 0.956 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090160 844698514 /nfs/dbraw/zinc/69/85/14/844698514.db2.gz MZFWCSJVZWNYIQ-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090160 844698517 /nfs/dbraw/zinc/69/85/17/844698517.db2.gz MZFWCSJVZWNYIQ-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)N(C)C ZINC001103111974 844702764 /nfs/dbraw/zinc/70/27/64/844702764.db2.gz YFJWPZWFANWKLC-RKVPGOIHSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)N(C)C ZINC001103111974 844702771 /nfs/dbraw/zinc/70/27/71/844702771.db2.gz YFJWPZWFANWKLC-RKVPGOIHSA-N 1 3 352.523 0.925 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268051 844729011 /nfs/dbraw/zinc/72/90/11/844729011.db2.gz OYCMXRUEGLASOU-KYJSFNMBSA-N 1 3 350.507 0.681 20 0 FCADHO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436382 844757375 /nfs/dbraw/zinc/75/73/75/844757375.db2.gz VWPZVEWTUKWMLK-GVDBMIGSSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436382 844757376 /nfs/dbraw/zinc/75/73/76/844757376.db2.gz VWPZVEWTUKWMLK-GVDBMIGSSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436251 844757782 /nfs/dbraw/zinc/75/77/82/844757782.db2.gz QHPFOGVGCUUUKQ-ARFHVFGLSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436251 844757788 /nfs/dbraw/zinc/75/77/88/844757788.db2.gz QHPFOGVGCUUUKQ-ARFHVFGLSA-N 1 3 350.507 0.681 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103663778 844797389 /nfs/dbraw/zinc/79/73/89/844797389.db2.gz UFGTYJDJSOSSNN-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103663778 844797391 /nfs/dbraw/zinc/79/73/91/844797391.db2.gz UFGTYJDJSOSSNN-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755700 844816681 /nfs/dbraw/zinc/81/66/81/844816681.db2.gz NVOUCELFFWANGM-NUJGCVRESA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001104639196 844927735 /nfs/dbraw/zinc/92/77/35/844927735.db2.gz KNOAVFFLYMBNKP-BFYDXBDKSA-N 1 3 350.511 0.976 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104676644 844932145 /nfs/dbraw/zinc/93/21/45/844932145.db2.gz SHHQUBCQIGWEDE-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679691 844932755 /nfs/dbraw/zinc/93/27/55/844932755.db2.gz MRPWUCIUWULFNT-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104682827 844932793 /nfs/dbraw/zinc/93/27/93/844932793.db2.gz ARXIGUGJTRXGAH-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001105064242 844977344 /nfs/dbraw/zinc/97/73/44/844977344.db2.gz FOTPGZHJYAJMIL-KFWWJZLASA-N 1 3 352.479 0.206 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106246242 845141780 /nfs/dbraw/zinc/14/17/80/845141780.db2.gz KBQVSSFYCLPCQA-HUUCEWRRSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106663266 845217692 /nfs/dbraw/zinc/21/76/92/845217692.db2.gz YWGWRLLUYCSNEF-HLLBOEOZSA-N 1 3 350.507 0.681 20 0 FCADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668795 845220551 /nfs/dbraw/zinc/22/05/51/845220551.db2.gz PNVDERYSVDVONM-HZPDHXFCSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106673426 845222044 /nfs/dbraw/zinc/22/20/44/845222044.db2.gz YQHXCZYSHSTUIE-HZPDHXFCSA-N 1 3 350.511 0.940 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106906148 845285117 /nfs/dbraw/zinc/28/51/17/845285117.db2.gz ZNHXWAKIWNKKED-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001107042475 845318249 /nfs/dbraw/zinc/31/82/49/845318249.db2.gz NVJKEZJTSDKOKH-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001109932864 845763078 /nfs/dbraw/zinc/76/30/78/845763078.db2.gz WQQPJKADWCCMBU-QZWWFDLISA-N 1 3 357.495 0.074 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001109932864 845763085 /nfs/dbraw/zinc/76/30/85/845763085.db2.gz WQQPJKADWCCMBU-QZWWFDLISA-N 1 3 357.495 0.074 20 0 FCADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112117856 846395563 /nfs/dbraw/zinc/39/55/63/846395563.db2.gz GGKFOCQYVMJQKJ-DGAVXFQQSA-N 1 3 369.428 0.559 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C(F)(F)F ZINC001112143159 846415061 /nfs/dbraw/zinc/41/50/61/846415061.db2.gz LJBBNLMUJFGNTJ-UMSGYPCISA-N 1 3 353.385 0.067 20 0 FCADHO Cn1cc(CCN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)cn1 ZINC001112158973 846426014 /nfs/dbraw/zinc/42/60/14/846426014.db2.gz IPVWFGJJDIBAMQ-ZIAGYGMSSA-N 1 3 361.412 0.893 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)[NH+]1CCCC1 ZINC001112167861 846432210 /nfs/dbraw/zinc/43/22/10/846432210.db2.gz JLVOLAQZINTFNR-MGPQQGTHSA-N 1 3 367.412 0.459 20 0 FCADHO CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112397024 846500935 /nfs/dbraw/zinc/50/09/35/846500935.db2.gz PDRJLHYRWUPOSG-MPGHIAIKSA-N 1 3 350.507 0.824 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001112399403 846501041 /nfs/dbraw/zinc/50/10/41/846501041.db2.gz SFYABRTZKWJRBE-IEZWGBDMSA-N 1 3 350.507 0.681 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001112401804 846502101 /nfs/dbraw/zinc/50/21/01/846502101.db2.gz YVJNGAKOLMRBAU-YJBOKZPZSA-N 1 3 371.547 0.734 20 0 FCADHO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524241 846514120 /nfs/dbraw/zinc/51/41/20/846514120.db2.gz CWBUMWJLLFYUEP-FAJBIJEISA-N 1 3 355.523 0.798 20 0 FCADHO C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2)C(N)=O ZINC001112530048 846516205 /nfs/dbraw/zinc/51/62/05/846516205.db2.gz AJCHIBOQWHEDJM-VCBZYWHSSA-N 1 3 350.507 0.810 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529561 846516476 /nfs/dbraw/zinc/51/64/76/846516476.db2.gz GASGRCIASIEUJP-BXWFABGCSA-N 1 3 350.507 0.825 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001120602488 848250998 /nfs/dbraw/zinc/25/09/98/848250998.db2.gz HTDZMNFPIZPMBG-DLBZAZTESA-N 1 3 353.438 0.628 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121928365 848419817 /nfs/dbraw/zinc/41/98/17/848419817.db2.gz NVYCOPKOKRUYCS-HNNXBMFYSA-N 1 3 351.495 0.275 20 0 FCADHO CSCC[C@@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001122067970 848443649 /nfs/dbraw/zinc/44/36/49/848443649.db2.gz NIUWEODBEYTLGX-CQSZACIVSA-N 1 3 352.504 0.990 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[n-]1 ZINC001130251488 848989397 /nfs/dbraw/zinc/98/93/97/848989397.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 1 3 352.483 0.633 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[n-]1 ZINC001130251488 848989401 /nfs/dbraw/zinc/98/94/01/848989401.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 1 3 352.483 0.633 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737004 849030745 /nfs/dbraw/zinc/03/07/45/849030745.db2.gz UELMHYSFBNEIJB-YQQAZPJKSA-N 1 3 351.495 0.679 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001131020083 849071580 /nfs/dbraw/zinc/07/15/80/849071580.db2.gz KLDRECZBZZMWBQ-RRFJBIMHSA-N 1 3 351.495 0.415 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cncn1C ZINC001131071925 849076627 /nfs/dbraw/zinc/07/66/27/849076627.db2.gz DFGPUMHSYJDFEW-OAGGEKHMSA-N 1 3 351.495 0.681 20 0 FCADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C1CC1 ZINC001131516991 849117157 /nfs/dbraw/zinc/11/71/57/849117157.db2.gz FAJGHBGFMVXWLQ-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131562405 849123636 /nfs/dbraw/zinc/12/36/36/849123636.db2.gz RNTUGFWIFVVUMD-SUMDDJOVSA-N 1 3 353.507 0.696 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001142680757 849457886 /nfs/dbraw/zinc/45/78/86/849457886.db2.gz DFUSRFRTINALEZ-NBFUAULTSA-N 1 3 357.495 0.692 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](CO)CC[C@H]3CO)CC2)CC1 ZINC001143562362 849492670 /nfs/dbraw/zinc/49/26/70/849492670.db2.gz PALDMBYOKUVLCY-ROUUACIJSA-N 1 3 353.507 0.527 20 0 FCADHO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1C1CCCC1 ZINC001154888758 849818924 /nfs/dbraw/zinc/81/89/24/849818924.db2.gz GMRPOCJXUNAOOO-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CN(C)CC2(C)C)CC1=O ZINC001156591051 849916639 /nfs/dbraw/zinc/91/66/39/849916639.db2.gz SAWVTHHCLYIYJC-XHSDSOJGSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CN(C)CC2(C)C)CC1=O ZINC001156591051 849916646 /nfs/dbraw/zinc/91/66/46/849916646.db2.gz SAWVTHHCLYIYJC-XHSDSOJGSA-N 1 3 350.507 0.776 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCOCc1ccccc1 ZINC001157323213 849963580 /nfs/dbraw/zinc/96/35/80/849963580.db2.gz DQGRCXIRTUHQDO-HOTGVXAUSA-N 1 3 350.463 0.280 20 0 FCADHO C[C@@H](NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428528 850048888 /nfs/dbraw/zinc/04/88/88/850048888.db2.gz HZUUUAIPGWTULA-JHJVBQTASA-N 1 3 353.492 0.906 20 0 FCADHO C[C@@H](NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428528 850048897 /nfs/dbraw/zinc/04/88/97/850048897.db2.gz HZUUUAIPGWTULA-JHJVBQTASA-N 1 3 353.492 0.906 20 0 FCADHO COCCN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)C1CCN(C)CC1 ZINC001160441726 850173608 /nfs/dbraw/zinc/17/36/08/850173608.db2.gz WZQCUMSOSCMVJX-AEFFLSMTSA-N 1 3 352.523 0.630 20 0 FCADHO C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)CC1 ZINC001160460277 850173783 /nfs/dbraw/zinc/17/37/83/850173783.db2.gz XRPWVEHLHOBHGS-LBPRGKRZSA-N 1 3 352.401 0.621 20 0 FCADHO N[C@H](C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611188 850185298 /nfs/dbraw/zinc/18/52/98/850185298.db2.gz SFRIPMQNYISADH-CVEARBPZSA-N 1 3 351.472 0.388 20 0 FCADHO COCCOc1cccc(N2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)c1 ZINC001160942882 850215601 /nfs/dbraw/zinc/21/56/01/850215601.db2.gz FPPGWRWFLCOXQV-QGZVFWFLSA-N 1 3 350.463 0.427 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001161253476 850245079 /nfs/dbraw/zinc/24/50/79/850245079.db2.gz VYVUCWNKYYCPPL-HNNXBMFYSA-N 1 3 368.478 0.566 20 0 FCADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2)nc1 ZINC001161298688 850250434 /nfs/dbraw/zinc/25/04/34/850250434.db2.gz PCOLNOPOSGCYAL-ZFWWWQNUSA-N 1 3 351.451 0.524 20 0 FCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380337 850255381 /nfs/dbraw/zinc/25/53/81/850255381.db2.gz URFBMXZQSJZSFI-LSDHHAIUSA-N 1 3 354.495 0.460 20 0 FCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1N1CC[C@H]([NH3+])C1 ZINC001164279620 850401356 /nfs/dbraw/zinc/40/13/56/850401356.db2.gz SEOWJYSFSIZRRF-HIFRSBDPSA-N 1 3 350.463 0.725 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132956 850607902 /nfs/dbraw/zinc/60/79/02/850607902.db2.gz ANQGQABRKOTHKE-ATIFRJIPSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132956 850607906 /nfs/dbraw/zinc/60/79/06/850607906.db2.gz ANQGQABRKOTHKE-ATIFRJIPSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132959 850607988 /nfs/dbraw/zinc/60/79/88/850607988.db2.gz ANQGQABRKOTHKE-WAXPSYRMSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132959 850607990 /nfs/dbraw/zinc/60/79/90/850607990.db2.gz ANQGQABRKOTHKE-WAXPSYRMSA-N 1 3 351.491 0.998 20 0 FCADHO CN1CCC(O)(C(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001182036450 851147515 /nfs/dbraw/zinc/14/75/15/851147515.db2.gz SLTJHBPJAFKGID-UHFFFAOYSA-N 1 3 357.252 0.207 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188205789 851658652 /nfs/dbraw/zinc/65/86/52/851658652.db2.gz XSXBYTNIDVUBKL-OKZBNKHCSA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188205789 851658655 /nfs/dbraw/zinc/65/86/55/851658655.db2.gz XSXBYTNIDVUBKL-OKZBNKHCSA-N 1 3 353.507 0.791 20 0 FCADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189871826 851833561 /nfs/dbraw/zinc/83/35/61/851833561.db2.gz RRRXQJUNGHLBGF-SOUVJXGZSA-N 1 3 350.463 0.056 20 0 FCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001194298340 852574385 /nfs/dbraw/zinc/57/43/85/852574385.db2.gz DTNDMEMYHGJSJX-DJIMGWMZSA-N 1 3 353.507 0.837 20 0 FCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001194298340 852574389 /nfs/dbraw/zinc/57/43/89/852574389.db2.gz DTNDMEMYHGJSJX-DJIMGWMZSA-N 1 3 353.507 0.837 20 0 FCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(OCC2CCOCC2)nc1 ZINC001198937455 853343307 /nfs/dbraw/zinc/34/33/07/853343307.db2.gz ULHXQBOSVMBJCH-UHFFFAOYSA-N 1 3 350.423 0.357 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001199370590 853415033 /nfs/dbraw/zinc/41/50/33/853415033.db2.gz ZPXMHNKZOQYING-KZNAEPCWSA-N 1 3 353.507 0.840 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036706 853884931 /nfs/dbraw/zinc/88/49/31/853884931.db2.gz WCUMHNNTRPLJDG-LDBBTLTOSA-N 1 3 351.491 0.711 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036706 853884936 /nfs/dbraw/zinc/88/49/36/853884936.db2.gz WCUMHNNTRPLJDG-LDBBTLTOSA-N 1 3 351.491 0.711 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001208070599 853891503 /nfs/dbraw/zinc/89/15/03/853891503.db2.gz NSGITOMRLHPPTA-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001208070599 853891510 /nfs/dbraw/zinc/89/15/10/853891510.db2.gz NSGITOMRLHPPTA-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCC1CCC1 ZINC001214662233 854988332 /nfs/dbraw/zinc/98/83/32/854988332.db2.gz ZZWJWVXCQAMIQM-MUIFIZLQSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCC1CCC1 ZINC001214662233 854988336 /nfs/dbraw/zinc/98/83/36/854988336.db2.gz ZZWJWVXCQAMIQM-MUIFIZLQSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214847899 855022184 /nfs/dbraw/zinc/02/21/84/855022184.db2.gz XLCGQGPXGNTNQC-GDBMZVCRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214855931 855022981 /nfs/dbraw/zinc/02/29/81/855022981.db2.gz RWIIEILMXINOCP-MZMPZRCHSA-N 1 3 350.507 0.632 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855759 855023713 /nfs/dbraw/zinc/02/37/13/855023713.db2.gz NFIOZHLRGURLIZ-FVQBIDKESA-N 1 3 359.536 0.588 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214861499 855025675 /nfs/dbraw/zinc/02/56/75/855025675.db2.gz UQLVMNWLZLJLIV-RHSMWYFYSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)N(C)C ZINC001214948575 855039062 /nfs/dbraw/zinc/03/90/62/855039062.db2.gz RMTOXEPNWLUNIU-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001214996825 855049677 /nfs/dbraw/zinc/04/96/77/855049677.db2.gz DJEOPOXXDQKBCV-BZUAXINKSA-N 1 3 359.511 0.177 20 0 FCADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCC(=O)N1CCC1 ZINC001215232363 855086492 /nfs/dbraw/zinc/08/64/92/855086492.db2.gz HOJDLDVLWYAQKC-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215397056 855110102 /nfs/dbraw/zinc/11/01/02/855110102.db2.gz QPMSSUZVABLKSC-WBTNSWJXSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215397056 855110105 /nfs/dbraw/zinc/11/01/05/855110105.db2.gz QPMSSUZVABLKSC-WBTNSWJXSA-N 1 3 350.507 0.774 20 0 FCADHO COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423846 855112846 /nfs/dbraw/zinc/11/28/46/855112846.db2.gz VKBMEBSLODKIRJ-BZUAXINKSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215459123 855117252 /nfs/dbraw/zinc/11/72/52/855117252.db2.gz YIQBIRZUVMNNMV-IJLUTSLNSA-N 1 3 352.401 0.442 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458984 855117290 /nfs/dbraw/zinc/11/72/90/855117290.db2.gz SGNAAYZKBRSBJS-BZUAXINKSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC001215460721 855118301 /nfs/dbraw/zinc/11/83/01/855118301.db2.gz FCDZTXIGPQXHLZ-CZUORRHYSA-N 1 3 350.507 0.679 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474534 855119453 /nfs/dbraw/zinc/11/94/53/855119453.db2.gz XHXNRYIOVFYYTK-BFYDXBDKSA-N 1 3 356.511 0.162 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001215540659 855125925 /nfs/dbraw/zinc/12/59/25/855125925.db2.gz PFMDPMHOEORQHZ-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536058 855126191 /nfs/dbraw/zinc/12/61/91/855126191.db2.gz GCRRMNGULITNNA-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215536086 855126547 /nfs/dbraw/zinc/12/65/47/855126547.db2.gz HQXVPWCDYQQCDY-FRRDWIJNSA-N 1 3 364.412 0.586 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215544264 855127234 /nfs/dbraw/zinc/12/72/34/855127234.db2.gz MRVHWCKYTHNYJU-YNEHKIRRSA-N 1 3 364.412 0.443 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001216382856 855196696 /nfs/dbraw/zinc/19/66/96/855196696.db2.gz DVZVPONMQXCICJ-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001216382856 855196702 /nfs/dbraw/zinc/19/67/02/855196702.db2.gz DVZVPONMQXCICJ-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC(=O)NC1CC1 ZINC001216772581 855237723 /nfs/dbraw/zinc/23/77/23/855237723.db2.gz GRLGRAFTSBOXKJ-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216852064 855259311 /nfs/dbraw/zinc/25/93/11/855259311.db2.gz NIHBJGLNTIEDAO-HZPDHXFCSA-N 1 3 361.552 0.976 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218017265 855389409 /nfs/dbraw/zinc/38/94/09/855389409.db2.gz TWWGTMAGCUJVCN-UWVGGRQHSA-N 1 3 356.398 0.230 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218400264 855423740 /nfs/dbraw/zinc/42/37/40/855423740.db2.gz UDMYMSPZFWXEPW-JTQLQIEISA-N 1 3 350.419 0.282 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H]3CN(CC[C@H]4CCCO4)C[C@@H]32)CC1 ZINC001218550868 855438739 /nfs/dbraw/zinc/43/87/39/855438739.db2.gz QYBCYGHEEGMYPG-IXDOHACOSA-N 1 3 351.491 0.809 20 0 FCADHO N[C@@H](C(=O)Nc1nc(Br)cn2ccnc12)C1CC[NH2+]CC1 ZINC001218562976 855439057 /nfs/dbraw/zinc/43/90/57/855439057.db2.gz ABUFKCOIFHVYAW-SNVBAGLBSA-N 1 3 353.224 0.757 20 0 FCADHO CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001218735568 855472217 /nfs/dbraw/zinc/47/22/17/855472217.db2.gz QDVSCDNJIWSJLL-OAHLLOKOSA-N 1 3 350.467 0.455 20 0 FCADHO COC(=O)c1cc(Br)cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001218733966 855472612 /nfs/dbraw/zinc/47/26/12/855472612.db2.gz PDCIAHDXFVIFIS-LBPRGKRZSA-N 1 3 371.235 0.896 20 0 FCADHO Nc1nc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218767286 855477644 /nfs/dbraw/zinc/47/76/44/855477644.db2.gz SEQPYJKAOCEJLV-JQWIXIFHSA-N 1 3 368.869 0.703 20 0 FCADHO CC(C)(C)[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218776452 855478482 /nfs/dbraw/zinc/47/84/82/855478482.db2.gz KZJJNYFLYJKGJE-NHCYSSNCSA-N 1 3 370.885 0.003 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)CC(F)F)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503334 855696248 /nfs/dbraw/zinc/69/62/48/855696248.db2.gz HBNHBBDBMGYWDP-FVMDXXJSSA-N 1 3 354.357 0.799 20 0 FCADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc([C@H]2CCCN2)n1 ZINC001219837857 855839289 /nfs/dbraw/zinc/83/92/89/855839289.db2.gz MKSZXFVDJGHBNN-PBFPGSCMSA-N 1 3 366.487 0.693 20 0 FCADHO CC(C)(C)O[C@H]1CN[C@H](C(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)C1 ZINC001219938973 855888638 /nfs/dbraw/zinc/88/86/38/855888638.db2.gz MBOXEXOHLNMYCI-CABCVRRESA-N 1 3 369.487 0.984 20 0 FCADHO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCC[NH3+] ZINC001220294165 856049602 /nfs/dbraw/zinc/04/96/02/856049602.db2.gz JBBHXQSQLTVHKB-CABCVRRESA-N 1 3 351.447 0.827 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC12CCOCC2 ZINC001220329396 856067800 /nfs/dbraw/zinc/06/78/00/856067800.db2.gz OMSOIILTFZGBBK-KKUMJFAQSA-N 1 3 352.479 0.119 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481757 856147748 /nfs/dbraw/zinc/14/77/48/856147748.db2.gz QDGGQZUPFKJTNP-VPWBDBDCSA-N 1 3 359.467 0.147 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC)CC[NH2+]C1 ZINC001220521382 856165349 /nfs/dbraw/zinc/16/53/49/856165349.db2.gz FPYQBLYZKNAUPW-ZDUSSCGKSA-N 1 3 355.435 0.233 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611427 856205524 /nfs/dbraw/zinc/20/55/24/856205524.db2.gz XFGWKKZHTMMKOI-PVUDRZGPSA-N 1 3 362.293 0.661 20 0 FCADHO O=C(CNC(=O)[C@H]1CC[NH2+]C[C@H]1F)N1CCN(C2CCCCC2)CC1 ZINC001220900995 856364603 /nfs/dbraw/zinc/36/46/03/856364603.db2.gz ROYBLINWXKRBNI-JKSUJKDBSA-N 1 3 354.470 0.527 20 0 FCADHO CCN(CC)C(=O)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001220910941 856370419 /nfs/dbraw/zinc/37/04/19/856370419.db2.gz AACUTHBYKRLVSK-RDTXWAMCSA-N 1 3 351.495 0.228 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221081435 856452251 /nfs/dbraw/zinc/45/22/51/856452251.db2.gz LSZRSPNMRGPKKN-KSZLIROESA-N 1 3 353.507 0.983 20 0 FCADHO COc1ccccc1[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1nnc(C)o1 ZINC001221335380 856550978 /nfs/dbraw/zinc/55/09/78/856550978.db2.gz FHVWOAHLCQMTQA-JSGCOSHPSA-N 1 3 365.459 0.611 20 0 FCADHO CC(C)COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776997 856678873 /nfs/dbraw/zinc/67/88/73/856678873.db2.gz NHXUGDXCVHBYDS-KZNAEPCWSA-N 1 3 355.523 0.894 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001226799835 857126699 /nfs/dbraw/zinc/12/66/99/857126699.db2.gz DVBQZECAXTXVEO-JFIYKMOQSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)C1CC1 ZINC001226801166 857126717 /nfs/dbraw/zinc/12/67/17/857126717.db2.gz UFWZHNLDRZRCPY-BZUAXINKSA-N 1 3 351.495 0.369 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001226800532 857126897 /nfs/dbraw/zinc/12/68/97/857126897.db2.gz LQOFWNWZYWNUHE-BRWVUGGUSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001227057124 857138075 /nfs/dbraw/zinc/13/80/75/857138075.db2.gz NRPJASPBGHIRTC-RBSFLKMASA-N 1 3 362.540 0.235 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001229852808 857290331 /nfs/dbraw/zinc/29/03/31/857290331.db2.gz LUDTVHXAWAZQFQ-ZIAGYGMSSA-N 1 3 355.483 0.191 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001229852808 857290341 /nfs/dbraw/zinc/29/03/41/857290341.db2.gz LUDTVHXAWAZQFQ-ZIAGYGMSSA-N 1 3 355.483 0.191 20 0 FCADHO [NH3+]CCCCN1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001235455208 857424145 /nfs/dbraw/zinc/42/41/45/857424145.db2.gz QZCMEIVAJICUBQ-UHFFFAOYSA-N 1 3 350.467 0.362 20 0 FCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001238878551 857485556 /nfs/dbraw/zinc/48/55/56/857485556.db2.gz ATEAMHYUIVFYEO-UHFFFAOYSA-N 1 3 365.297 0.841 20 0 FCADHO CC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH2+]CCCN)ccc21 ZINC001238878662 857485790 /nfs/dbraw/zinc/48/57/90/857485790.db2.gz JJJSZINHSYTXTK-UHFFFAOYSA-N 1 3 354.476 0.202 20 0 FCADHO CCOC(=O)[C@@H](CCSC)NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218225 857524433 /nfs/dbraw/zinc/52/44/33/857524433.db2.gz XEYYKVPVKBJHFX-ZIAGYGMSSA-N 1 3 372.535 0.845 20 0 FCADHO CCOC(=O)[C@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246034506 857566148 /nfs/dbraw/zinc/56/61/48/857566148.db2.gz XGFDYUUIJLTKKB-ARFHVFGLSA-N 1 3 357.401 0.032 20 0 FCADHO C[C@@H]1CC[C@H](N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737594 857595437 /nfs/dbraw/zinc/59/54/37/857595437.db2.gz DWJKOECDNUMXBH-DZVNLGKHSA-N 1 3 351.491 0.570 20 0 FCADHO COC(=O)[C@@H](N)C1CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)N3)CC1 ZINC001246869336 857604605 /nfs/dbraw/zinc/60/46/05/857604605.db2.gz QTYCOPGVMIVICH-BJWPUDQFSA-N 1 3 353.463 0.271 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204035 857872011 /nfs/dbraw/zinc/87/20/11/857872011.db2.gz OTCOPNNEGYARFU-DLBZAZTESA-N 1 3 351.491 0.644 20 0 FCADHO OCCOCCOCCOCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679626 858095695 /nfs/dbraw/zinc/09/56/95/858095695.db2.gz OYKRUVIEUXTPLO-UHFFFAOYSA-N 1 3 360.495 0.262 20 0 FCADHO C[NH+]1CCC(CN2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001257242797 858132689 /nfs/dbraw/zinc/13/26/89/858132689.db2.gz GNINZVLYSYVNLV-UHFFFAOYSA-N 1 3 358.552 0.370 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC(N3CCCCC3)CC2)CC[NH2+]CC1 ZINC001261501991 858570609 /nfs/dbraw/zinc/57/06/09/858570609.db2.gz VOLCDKCTNSPDGE-UHFFFAOYSA-N 1 3 357.520 0.630 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](S(N)(=O)=O)C3)CC2)CC1 ZINC001261551243 858590153 /nfs/dbraw/zinc/59/01/53/858590153.db2.gz BZMZYJIONJOUNJ-INIZCTEOSA-N 1 3 372.535 0.072 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1=O ZINC001262574516 859004265 /nfs/dbraw/zinc/00/42/65/859004265.db2.gz UNWWVGQLZLCHKI-WMLDXEAASA-N 1 3 353.438 0.628 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001262614823 859019078 /nfs/dbraw/zinc/01/90/78/859019078.db2.gz RGDOZOWPDQRLEG-IAGOWNOFSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001262614823 859019088 /nfs/dbraw/zinc/01/90/88/859019088.db2.gz RGDOZOWPDQRLEG-IAGOWNOFSA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+](CC)CCC(=O)N1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001272642937 860215748 /nfs/dbraw/zinc/21/57/48/860215748.db2.gz RDHZRKRQNPDJIY-GOSISDBHSA-N 1 3 354.495 0.110 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001272821954 860272611 /nfs/dbraw/zinc/27/26/11/860272611.db2.gz UKKGVNULMRDFNF-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001272821954 860272618 /nfs/dbraw/zinc/27/26/18/860272618.db2.gz UKKGVNULMRDFNF-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO C[NH+]1CCC(CN2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)CC1 ZINC001280126567 863277786 /nfs/dbraw/zinc/27/77/86/863277786.db2.gz WIJAPXPITPLPGG-MRXNPFEDSA-N 1 3 371.547 0.591 20 0 FCADHO CCSCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001280175153 863308100 /nfs/dbraw/zinc/30/81/00/863308100.db2.gz JEDUWFYFMLGBRV-HUUCEWRRSA-N 1 3 368.547 0.340 20 0 FCADHO COCCN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259059 863366444 /nfs/dbraw/zinc/36/64/44/863366444.db2.gz VODKAOHTIQIKHI-MHORFTMASA-N 1 3 353.507 0.912 20 0 FCADHO COCCN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001280259059 863366451 /nfs/dbraw/zinc/36/64/51/863366451.db2.gz VODKAOHTIQIKHI-MHORFTMASA-N 1 3 353.507 0.912 20 0 FCADHO COCCN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@@H]1CCCN(C)C1)C2 ZINC001280259755 863367239 /nfs/dbraw/zinc/36/72/39/863367239.db2.gz ZVUGTIDENBMQGU-SJORKVTESA-N 1 3 353.507 0.772 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1)N(C)C ZINC001282307520 864181004 /nfs/dbraw/zinc/18/10/04/864181004.db2.gz YQIXLRXWYGPEIE-IKGGRYGDSA-N 1 3 352.523 0.975 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1)N(C)C ZINC001282307520 864181008 /nfs/dbraw/zinc/18/10/08/864181008.db2.gz YQIXLRXWYGPEIE-IKGGRYGDSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001316597019 867361346 /nfs/dbraw/zinc/36/13/46/867361346.db2.gz CYZAXGFMXXXSHM-HUUCEWRRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC001316596662 867362210 /nfs/dbraw/zinc/36/22/10/867362210.db2.gz VMDABYIMBIVKRX-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001316703022 867410259 /nfs/dbraw/zinc/41/02/59/867410259.db2.gz BSVDATAGJMVLJU-PMPSAXMXSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C1CCC1 ZINC001354244813 867568446 /nfs/dbraw/zinc/56/84/46/867568446.db2.gz CJUYVVBHZPVKMT-UHFFFAOYSA-N 1 3 350.467 0.498 20 0 FCADHO CN(C)CC[C@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879784 867684444 /nfs/dbraw/zinc/68/44/44/867684444.db2.gz OCXDVPHXMOSHOY-OWJWWREXSA-N 1 3 352.504 0.691 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCCN1CCC(C)CC1)CC[NH2+]CC2 ZINC001325862029 870066884 /nfs/dbraw/zinc/06/68/84/870066884.db2.gz FXZRSEMZQDAQHO-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)NCCF ZINC001327047351 870635683 /nfs/dbraw/zinc/63/56/83/870635683.db2.gz UPNQZMYXWSUGKC-ZDUSSCGKSA-N 1 3 357.474 0.318 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328747118 871606185 /nfs/dbraw/zinc/60/61/85/871606185.db2.gz SMVAYUYYNWGRDU-UHFFFAOYSA-N 1 3 354.495 0.063 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCSC1 ZINC001329726911 872210621 /nfs/dbraw/zinc/21/06/21/872210621.db2.gz YLTHVYFTBXXVNS-RRQGHBQHSA-N 1 3 354.520 0.127 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC001330916351 872870992 /nfs/dbraw/zinc/87/09/92/872870992.db2.gz LCOJILULNAMNMO-UHFFFAOYSA-N 1 3 352.479 0.087 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001332517416 873540803 /nfs/dbraw/zinc/54/08/03/873540803.db2.gz QSTZTVBZZZAXNU-ROUUACIJSA-N 1 3 352.523 0.759 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC001333216192 873858351 /nfs/dbraw/zinc/85/83/51/873858351.db2.gz SJHAOHOKKDFLBH-CQSZACIVSA-N 1 3 354.520 0.414 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063195 951964205 /nfs/dbraw/zinc/96/42/05/951964205.db2.gz JSYOOBJCKFHQQQ-NVXWUHKLSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063195 951964218 /nfs/dbraw/zinc/96/42/18/951964218.db2.gz JSYOOBJCKFHQQQ-NVXWUHKLSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063195 951964228 /nfs/dbraw/zinc/96/42/28/951964228.db2.gz JSYOOBJCKFHQQQ-NVXWUHKLSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063195 951964240 /nfs/dbraw/zinc/96/42/40/951964240.db2.gz JSYOOBJCKFHQQQ-NVXWUHKLSA-N 1 3 369.473 0.899 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752924 674055674 /nfs/dbraw/zinc/05/56/74/674055674.db2.gz XPRFHLTWCRMHOG-RBUKOAKNSA-N 1 3 355.523 0.381 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752924 674055676 /nfs/dbraw/zinc/05/56/76/674055676.db2.gz XPRFHLTWCRMHOG-RBUKOAKNSA-N 1 3 355.523 0.381 20 0 FCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000331547592 215013586 /nfs/dbraw/zinc/01/35/86/215013586.db2.gz BEQFBDMRXUVYQV-TUVASFSCSA-N 1 3 352.479 0.301 20 0 FCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000331547592 215013590 /nfs/dbraw/zinc/01/35/90/215013590.db2.gz BEQFBDMRXUVYQV-TUVASFSCSA-N 1 3 352.479 0.301 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)N1CCC(C)CC1 ZINC000331600750 215020846 /nfs/dbraw/zinc/02/08/46/215020846.db2.gz ZRZGRAOLSNWCAG-IKGGRYGDSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)N1CCC(C)CC1 ZINC000331600750 215020850 /nfs/dbraw/zinc/02/08/50/215020850.db2.gz ZRZGRAOLSNWCAG-IKGGRYGDSA-N 1 3 350.507 0.918 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000332061499 215086481 /nfs/dbraw/zinc/08/64/81/215086481.db2.gz YDMHQXLSEDKQRR-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332061499 215086483 /nfs/dbraw/zinc/08/64/83/215086483.db2.gz YDMHQXLSEDKQRR-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332462419 215156283 /nfs/dbraw/zinc/15/62/83/215156283.db2.gz JPDGJKKMVWGJBF-BZUAXINKSA-N 1 3 351.495 0.452 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332533492 215171174 /nfs/dbraw/zinc/17/11/74/215171174.db2.gz RTNUGPDRTOPIFG-HLLBOEOZSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@@H]1OCC[C@]1(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333023674 215225663 /nfs/dbraw/zinc/22/56/63/215225663.db2.gz KCGKJHBZXKGQCA-KSSFIOAISA-N 1 3 354.495 0.384 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1C ZINC000333466834 215285302 /nfs/dbraw/zinc/28/53/02/215285302.db2.gz AIWNVBDUAYOMEE-MRLCAUJQSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333466834 215285304 /nfs/dbraw/zinc/28/53/04/215285304.db2.gz AIWNVBDUAYOMEE-MRLCAUJQSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000333466826 215286299 /nfs/dbraw/zinc/28/62/99/215286299.db2.gz AIWNVBDUAYOMEE-KNXWPPODSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333466826 215286302 /nfs/dbraw/zinc/28/63/02/215286302.db2.gz AIWNVBDUAYOMEE-KNXWPPODSA-N 1 3 367.538 0.299 20 0 FCADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000333494941 215290541 /nfs/dbraw/zinc/29/05/41/215290541.db2.gz DSZNXIFLJGYXPW-RDBSUJKOSA-N 1 3 363.428 0.558 20 0 FCADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333618507 215302537 /nfs/dbraw/zinc/30/25/37/215302537.db2.gz RIHQFWFSOZTGRT-ARFHVFGLSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333774618 215317755 /nfs/dbraw/zinc/31/77/55/215317755.db2.gz CPWZSRKPCFGHEO-CALCHBBNSA-N 1 3 367.538 0.422 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)C[C@@H](C)O1 ZINC000333768815 215318047 /nfs/dbraw/zinc/31/80/47/215318047.db2.gz BRTHIMKPFAIHIW-NUJGCVRESA-N 1 3 368.522 0.896 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333789765 215318403 /nfs/dbraw/zinc/31/84/03/215318403.db2.gz FZNYLTOHWLZRAK-OAHLLOKOSA-N 1 3 351.495 0.324 20 0 FCADHO CN(C)C1(CN(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CCC1 ZINC000333830923 215323538 /nfs/dbraw/zinc/32/35/38/215323538.db2.gz MNHJGZGGDRNTDB-WBVHZDCISA-N 1 3 365.522 0.759 20 0 FCADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000284727291 213207168 /nfs/dbraw/zinc/20/71/68/213207168.db2.gz GWPXFIIHFCXBSS-GOSISDBHSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000284540371 213165155 /nfs/dbraw/zinc/16/51/55/213165155.db2.gz SHMOVUNLIFFCOW-OAHLLOKOSA-N 1 3 364.490 0.700 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000284311411 213108967 /nfs/dbraw/zinc/10/89/67/213108967.db2.gz ZHAHGHTYNMIOJF-KRWDZBQOSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284311411 213108972 /nfs/dbraw/zinc/10/89/72/213108972.db2.gz ZHAHGHTYNMIOJF-KRWDZBQOSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000246513580 209391635 /nfs/dbraw/zinc/39/16/35/209391635.db2.gz UGXMUMKMDYIEEP-HUUCEWRRSA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000246513580 209391640 /nfs/dbraw/zinc/39/16/40/209391640.db2.gz UGXMUMKMDYIEEP-HUUCEWRRSA-N 1 3 362.478 0.326 20 0 FCADHO C[C@@H](CN1CCCC1=O)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195328282 209336099 /nfs/dbraw/zinc/33/60/99/209336099.db2.gz QMIVADSPGVSWJQ-HNNXBMFYSA-N 1 3 365.522 0.855 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194834123 209330103 /nfs/dbraw/zinc/33/01/03/209330103.db2.gz OIWLGZKPLVRTLK-UHFFFAOYSA-N 1 3 353.492 0.271 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)CN3)c2)C1 ZINC000188757977 209239581 /nfs/dbraw/zinc/23/95/81/209239581.db2.gz XNAVSTCWFOCRQF-IXDOHACOSA-N 1 3 362.449 0.700 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)CN3)c2)C1 ZINC000188757977 209239585 /nfs/dbraw/zinc/23/95/85/209239585.db2.gz XNAVSTCWFOCRQF-IXDOHACOSA-N 1 3 362.449 0.700 20 0 FCADHO CCN(CCO)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000187240157 209208809 /nfs/dbraw/zinc/20/88/09/209208809.db2.gz QKZKNJAVFPRQME-UHFFFAOYSA-N 1 3 355.527 0.158 20 0 FCADHO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275886478 212112581 /nfs/dbraw/zinc/11/25/81/212112581.db2.gz LZHOCUFCKGMYEI-UHFFFAOYSA-N 1 3 350.463 0.472 20 0 FCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088299 245347101 /nfs/dbraw/zinc/34/71/01/245347101.db2.gz WGOHRXSXZAGJKC-SJORKVTESA-N 1 3 374.485 0.453 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000415276080 245374139 /nfs/dbraw/zinc/37/41/39/245374139.db2.gz ZWHSFZIDJDESBY-UHFFFAOYSA-N 1 3 373.501 0.712 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)ccc1OCCN(C)C ZINC000415331308 245389431 /nfs/dbraw/zinc/38/94/31/245389431.db2.gz MACLCNTWTPLKNT-HNNXBMFYSA-N 1 3 362.474 0.990 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415349908 245396440 /nfs/dbraw/zinc/39/64/40/245396440.db2.gz FBLWTXBENZACLC-INIZCTEOSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000415364510 245399930 /nfs/dbraw/zinc/39/99/30/245399930.db2.gz SGFULWMZSYJFGM-KRWDZBQOSA-N 1 3 373.501 0.570 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415658998 245459172 /nfs/dbraw/zinc/45/91/72/245459172.db2.gz RODAQEPBJKIXGO-ZDUSSCGKSA-N 1 3 350.488 0.680 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417378729 245689416 /nfs/dbraw/zinc/68/94/16/245689416.db2.gz FLONJCJIWGZKDB-MSOLQXFVSA-N 1 3 372.517 0.845 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419151142 246019799 /nfs/dbraw/zinc/01/97/99/246019799.db2.gz NDHSEYHILGBUGC-UONOGXRCSA-N 1 3 350.488 0.636 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419162020 246025769 /nfs/dbraw/zinc/02/57/69/246025769.db2.gz SVSDWCCQMNRFFG-ILXRZTDVSA-N 1 3 354.495 0.452 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](CN)C1 ZINC000419136812 246011328 /nfs/dbraw/zinc/01/13/28/246011328.db2.gz PSNFJTIDLCAIPF-ZNMIVQPWSA-N 1 3 356.511 0.434 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419144152 246013522 /nfs/dbraw/zinc/01/35/22/246013522.db2.gz ZUIFRQNEORFHTB-UHFFFAOYSA-N 1 3 352.504 0.802 20 0 FCADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419146834 246014857 /nfs/dbraw/zinc/01/48/57/246014857.db2.gz IQWJVHYNMRMQSS-KGLIPLIRSA-N 1 3 350.488 0.554 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000419146793 246015874 /nfs/dbraw/zinc/01/58/74/246015874.db2.gz IMVGSEWVCYFXTJ-MRXNPFEDSA-N 1 3 364.515 0.930 20 0 FCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419168454 246030170 /nfs/dbraw/zinc/03/01/70/246030170.db2.gz SHONQCRICQIKTJ-ROUUACIJSA-N 1 3 374.485 0.262 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168995 246030605 /nfs/dbraw/zinc/03/06/05/246030605.db2.gz TXYUXXUKYUBUKA-MSOLQXFVSA-N 1 3 374.485 0.262 20 0 FCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419174863 246035817 /nfs/dbraw/zinc/03/58/17/246035817.db2.gz WVRBBEOVVUACLV-OTWHNJEPSA-N 1 3 372.513 0.937 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419189548 246044397 /nfs/dbraw/zinc/04/43/97/246044397.db2.gz LQSXNIJBCGSXNQ-CRAIPNDOSA-N 1 3 358.486 0.615 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000419214962 246059374 /nfs/dbraw/zinc/05/93/74/246059374.db2.gz NITLZYYVFLOZNH-DLBZAZTESA-N 1 3 374.485 0.311 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235356 246069879 /nfs/dbraw/zinc/06/98/79/246069879.db2.gz YVQALCBVNNIEJG-IRXDYDNUSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419370451 246121335 /nfs/dbraw/zinc/12/13/35/246121335.db2.gz HJZZJGUYWWTLEO-INIZCTEOSA-N 1 3 372.513 0.708 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419371677 246121723 /nfs/dbraw/zinc/12/17/23/246121723.db2.gz JJASVQJCQYLMHZ-MAUKXSAKSA-N 1 3 372.513 0.788 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H]1C[NH3+] ZINC000419372110 246122689 /nfs/dbraw/zinc/12/26/89/246122689.db2.gz KHGLQXWZFPKEMZ-QAPCUYQASA-N 1 3 372.513 0.788 20 0 FCADHO C[C@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419373735 246122774 /nfs/dbraw/zinc/12/27/74/246122774.db2.gz MXVNARRPZRXOMT-YJBOKZPZSA-N 1 3 372.513 0.706 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375100 246123350 /nfs/dbraw/zinc/12/33/50/246123350.db2.gz QBONCPGRTPBSCI-MSOLQXFVSA-N 1 3 370.497 0.270 20 0 FCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412858 246148095 /nfs/dbraw/zinc/14/80/95/246148095.db2.gz DMFGQSBOTAKRBC-ROUUACIJSA-N 1 3 373.501 0.041 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419407950 246142432 /nfs/dbraw/zinc/14/24/32/246142432.db2.gz LALSANCJYGWWLP-RDJZCZTQSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419420710 246153744 /nfs/dbraw/zinc/15/37/44/246153744.db2.gz KHYFDDDMOIPWRM-UHFFFAOYSA-N 1 3 356.470 0.587 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419530355 246192977 /nfs/dbraw/zinc/19/29/77/246192977.db2.gz ZCAQLUFECJGZSH-DOTOQJQBSA-N 1 3 350.507 0.968 20 0 FCADHO COCCN(C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528319 246193050 /nfs/dbraw/zinc/19/30/50/246193050.db2.gz CAMNZOGAIXQJNE-DLBZAZTESA-N 1 3 362.474 0.290 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000419665142 246236884 /nfs/dbraw/zinc/23/68/84/246236884.db2.gz SVYCWZLLDVUMMC-NXHRZFHOSA-N 1 3 374.485 0.342 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000419665141 246237102 /nfs/dbraw/zinc/23/71/02/246237102.db2.gz SVYCWZLLDVUMMC-NJAFHUGGSA-N 1 3 374.485 0.342 20 0 FCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419686954 246250642 /nfs/dbraw/zinc/25/06/42/246250642.db2.gz ONBCHBCOAMVEAP-UHFFFAOYSA-N 1 3 354.495 0.381 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419773591 246293411 /nfs/dbraw/zinc/29/34/11/246293411.db2.gz ZSDNZLLOEBSJGD-ZWKOTPCHSA-N 1 3 358.486 0.881 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419856455 246326639 /nfs/dbraw/zinc/32/66/39/246326639.db2.gz FCCUNLJCYUFSCQ-INIZCTEOSA-N 1 3 368.428 0.709 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419926669 246373960 /nfs/dbraw/zinc/37/39/60/246373960.db2.gz BOCJOIOXOJEGNG-AWEZNQCLSA-N 1 3 352.454 0.688 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419933519 246375636 /nfs/dbraw/zinc/37/56/36/246375636.db2.gz FFNIAIWZKYXYDZ-ARFHVFGLSA-N 1 3 368.522 0.306 20 0 FCADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419882726 246348259 /nfs/dbraw/zinc/34/82/59/246348259.db2.gz MIXAGTFNRXRVNF-AWEZNQCLSA-N 1 3 352.504 0.897 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419889294 246351866 /nfs/dbraw/zinc/35/18/66/246351866.db2.gz GWNNCNFTKOHTKQ-QGZVFWFLSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972898 246395759 /nfs/dbraw/zinc/39/57/59/246395759.db2.gz ZYEZGBYMMMKCHP-SJORKVTESA-N 1 3 368.522 0.579 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419975673 246397471 /nfs/dbraw/zinc/39/74/71/246397471.db2.gz LLIVNSMHXXXPFM-INIZCTEOSA-N 1 3 352.454 0.815 20 0 FCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420095325 246464330 /nfs/dbraw/zinc/46/43/30/246464330.db2.gz FSIOYSCBMVZJRG-SFHVURJKSA-N 1 3 356.470 0.993 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423368904 247013243 /nfs/dbraw/zinc/01/32/43/247013243.db2.gz OABTXQOBWFXJLL-OKILXGFUSA-N 1 3 350.488 0.316 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423368365 247013701 /nfs/dbraw/zinc/01/37/01/247013701.db2.gz NDMVHUDERLDHBA-HNNXBMFYSA-N 1 3 350.463 0.628 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@@H]1C[NH3+] ZINC000423375611 247014863 /nfs/dbraw/zinc/01/48/63/247014863.db2.gz UJDXXEFBZBJTAX-CABCVRRESA-N 1 3 350.463 0.613 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000423375614 247016183 /nfs/dbraw/zinc/01/61/83/247016183.db2.gz UJDXXEFBZBJTAX-LSDHHAIUSA-N 1 3 350.463 0.613 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000423684019 247108641 /nfs/dbraw/zinc/10/86/41/247108641.db2.gz HUVSSBDNBWFLQK-ZWKOTPCHSA-N 1 3 358.486 0.740 20 0 FCADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423649513 247092189 /nfs/dbraw/zinc/09/21/89/247092189.db2.gz PMDIMDUQDYNQGS-XLIONFOSSA-N 1 3 374.485 0.032 20 0 FCADHO CCC[C@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423746790 247138255 /nfs/dbraw/zinc/13/82/55/247138255.db2.gz PPERUYUTSZERGO-KRWDZBQOSA-N 1 3 367.538 0.071 20 0 FCADHO CCC[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423746790 247138257 /nfs/dbraw/zinc/13/82/57/247138257.db2.gz PPERUYUTSZERGO-KRWDZBQOSA-N 1 3 367.538 0.071 20 0 FCADHO CCC[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423746790 247138260 /nfs/dbraw/zinc/13/82/60/247138260.db2.gz PPERUYUTSZERGO-KRWDZBQOSA-N 1 3 367.538 0.071 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccco1 ZINC000423723295 247125625 /nfs/dbraw/zinc/12/56/25/247125625.db2.gz HCXUDBNAFWPOCR-CVEARBPZSA-N 1 3 362.474 0.628 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423725776 247128474 /nfs/dbraw/zinc/12/84/74/247128474.db2.gz SVKCDDYXORBNJX-NJAFHUGGSA-N 1 3 358.486 0.773 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423725776 247128477 /nfs/dbraw/zinc/12/84/77/247128477.db2.gz SVKCDDYXORBNJX-NJAFHUGGSA-N 1 3 358.486 0.773 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423726464 247128641 /nfs/dbraw/zinc/12/86/41/247128641.db2.gz UGQNANHFXMRNJP-KFWWJZLASA-N 1 3 354.495 0.140 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214715 247178832 /nfs/dbraw/zinc/17/88/32/247178832.db2.gz CYPJLAAOPRPZMT-SCTDSRPQSA-N 1 3 358.486 0.819 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214715 247178838 /nfs/dbraw/zinc/17/88/38/247178838.db2.gz CYPJLAAOPRPZMT-SCTDSRPQSA-N 1 3 358.486 0.819 20 0 FCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492660 247237431 /nfs/dbraw/zinc/23/74/31/247237431.db2.gz IREKGXKHAIUGBU-OKZBNKHCSA-N 1 3 356.470 0.527 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424442073 247216366 /nfs/dbraw/zinc/21/63/66/247216366.db2.gz USXOVMWWWCZXIE-HNNXBMFYSA-N 1 3 361.490 0.534 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540019 247255610 /nfs/dbraw/zinc/25/56/10/247255610.db2.gz FYAQBBLEAVSZFX-DSLXNQLJSA-N 1 3 370.497 0.976 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424539437 247256003 /nfs/dbraw/zinc/25/60/03/247256003.db2.gz FEISCRYXTGEMJZ-RYQLBKOJSA-N 1 3 358.486 0.691 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425393652 247332860 /nfs/dbraw/zinc/33/28/60/247332860.db2.gz DMJZJTPFJGGCST-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H]1CCNC(=O)[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000441180164 248240786 /nfs/dbraw/zinc/24/07/86/248240786.db2.gz MGMUEZKFNYUZBN-XJKSGUPXSA-N 1 3 351.495 0.369 20 0 FCADHO CCN1CCC(NC(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253161 248244902 /nfs/dbraw/zinc/24/49/02/248244902.db2.gz AKXJDFIVTYXRNM-FGTMMUONSA-N 1 3 352.523 0.770 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453758350 249364914 /nfs/dbraw/zinc/36/49/14/249364914.db2.gz RTONNTINAGRGAH-QGZVFWFLSA-N 1 3 362.474 0.604 20 0 FCADHO CN(C)CCOCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000471656999 250113513 /nfs/dbraw/zinc/11/35/13/250113513.db2.gz GDJFKIQRQCGEDF-UHFFFAOYSA-N 1 3 356.511 0.851 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269953755 211124947 /nfs/dbraw/zinc/12/49/47/211124947.db2.gz YXBARPMPNCGDGK-LJQANCHMSA-N 1 3 366.506 0.781 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000269953754 211125072 /nfs/dbraw/zinc/12/50/72/211125072.db2.gz YXBARPMPNCGDGK-IBGZPJMESA-N 1 3 366.506 0.781 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000473935605 250257567 /nfs/dbraw/zinc/25/75/67/250257567.db2.gz BTUGZDFEQPGSJN-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000473935605 250257569 /nfs/dbraw/zinc/25/75/69/250257569.db2.gz BTUGZDFEQPGSJN-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000481132413 250318023 /nfs/dbraw/zinc/31/80/23/250318023.db2.gz FBKCUPFKJVQYGW-QKPAOTATSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000481132413 250318027 /nfs/dbraw/zinc/31/80/27/250318027.db2.gz FBKCUPFKJVQYGW-QKPAOTATSA-N 1 3 350.507 0.964 20 0 FCADHO CN1CCCN(CCC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC000482540815 250393671 /nfs/dbraw/zinc/39/36/71/250393671.db2.gz YYFCQNOGJBPOKN-UHFFFAOYSA-N 1 3 367.582 0.400 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC000947072219 674144738 /nfs/dbraw/zinc/14/47/38/674144738.db2.gz BPEIAZZKZBAEPD-XYPHTWIQSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC000947072219 674144740 /nfs/dbraw/zinc/14/47/40/674144740.db2.gz BPEIAZZKZBAEPD-XYPHTWIQSA-N 1 3 350.507 0.774 20 0 FCADHO COCCOCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103312138 208176606 /nfs/dbraw/zinc/17/66/06/208176606.db2.gz BNBZDCAWHPGIRR-UHFFFAOYSA-N 1 3 356.511 0.897 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC000177411841 209023641 /nfs/dbraw/zinc/02/36/41/209023641.db2.gz QWMNTDFHXPXMMS-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000177890883 209037834 /nfs/dbraw/zinc/03/78/34/209037834.db2.gz GYMLDKHJRBWLPV-QGZVFWFLSA-N 1 3 365.522 0.810 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000934259885 674289187 /nfs/dbraw/zinc/28/91/87/674289187.db2.gz LCJAFAYKALBWQF-ZWKOTPCHSA-N 1 3 352.523 0.506 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000934259884 674289248 /nfs/dbraw/zinc/28/92/48/674289248.db2.gz LCJAFAYKALBWQF-ROUUACIJSA-N 1 3 352.523 0.506 20 0 FCADHO CC(C)NC(=O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758857 488143151 /nfs/dbraw/zinc/14/31/51/488143151.db2.gz MVPNHCMDHJLDFO-UHFFFAOYSA-N 1 3 353.511 0.759 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000569801553 491193118 /nfs/dbraw/zinc/19/31/18/491193118.db2.gz DBXFCWPIXKNSSP-QGZVFWFLSA-N 1 3 363.462 0.869 20 0 FCADHO C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CN1CCN(C)CC1 ZINC000074657067 488393268 /nfs/dbraw/zinc/39/32/68/488393268.db2.gz DCSAWJWIMCASFU-ZWKOTPCHSA-N 1 3 369.554 0.622 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864120 488394377 /nfs/dbraw/zinc/39/43/77/488394377.db2.gz WYKVGZZAJFPHHV-OAHLLOKOSA-N 1 3 364.498 0.566 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864120 488394378 /nfs/dbraw/zinc/39/43/78/488394378.db2.gz WYKVGZZAJFPHHV-OAHLLOKOSA-N 1 3 364.498 0.566 20 0 FCADHO C[C@@H](CN1CCOCC1)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185143301 488399848 /nfs/dbraw/zinc/39/98/48/488399848.db2.gz XWEXKBVPMAFMJM-INIZCTEOSA-N 1 3 355.527 0.422 20 0 FCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnnn1-c1ccccc1 ZINC000077831989 488418738 /nfs/dbraw/zinc/41/87/38/488418738.db2.gz CJLCIAMQNNKPRH-HNNXBMFYSA-N 1 3 374.493 0.858 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000192491742 488422197 /nfs/dbraw/zinc/42/21/97/488422197.db2.gz RTWRNIDWSAWLLR-OAHLLOKOSA-N 1 3 369.535 0.824 20 0 FCADHO CC[N@@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044807 488480338 /nfs/dbraw/zinc/48/03/38/488480338.db2.gz OLSGNXIGYHTLFN-DLBZAZTESA-N 1 3 360.506 0.835 20 0 FCADHO CC[N@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044807 488480341 /nfs/dbraw/zinc/48/03/41/488480341.db2.gz OLSGNXIGYHTLFN-DLBZAZTESA-N 1 3 360.506 0.835 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288102 488486925 /nfs/dbraw/zinc/48/69/25/488486925.db2.gz JQJRKXHUVLFTQA-MOPGFXCFSA-N 1 3 360.502 0.860 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000102049782 488497323 /nfs/dbraw/zinc/49/73/23/488497323.db2.gz PIOZWNRWZLCFEX-DOTOQJQBSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000102049782 488497326 /nfs/dbraw/zinc/49/73/26/488497326.db2.gz PIOZWNRWZLCFEX-DOTOQJQBSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000103211431 488500027 /nfs/dbraw/zinc/50/00/27/488500027.db2.gz MBQBNHRJTMTBJT-HOTGVXAUSA-N 1 3 366.506 0.504 20 0 FCADHO CC1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104788525 488505915 /nfs/dbraw/zinc/50/59/15/488505915.db2.gz GQQFBGPINRKKLV-MRXNPFEDSA-N 1 3 353.511 0.605 20 0 FCADHO CC1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000104788525 488505917 /nfs/dbraw/zinc/50/59/17/488505917.db2.gz GQQFBGPINRKKLV-MRXNPFEDSA-N 1 3 353.511 0.605 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000105328591 488508601 /nfs/dbraw/zinc/50/86/01/488508601.db2.gz ZMKRZXZTRGYLSE-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000105328591 488508604 /nfs/dbraw/zinc/50/86/04/488508604.db2.gz ZMKRZXZTRGYLSE-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000554462045 491204323 /nfs/dbraw/zinc/20/43/23/491204323.db2.gz UGMJRGQCSLJDJW-UXLLHSPISA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000554462045 491204324 /nfs/dbraw/zinc/20/43/24/491204324.db2.gz UGMJRGQCSLJDJW-UXLLHSPISA-N 1 3 350.507 0.966 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1=O ZINC000108463415 488519656 /nfs/dbraw/zinc/51/96/56/488519656.db2.gz GAEORKMDILNVQT-KZNAEPCWSA-N 1 3 362.518 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1=O ZINC000108463415 488519657 /nfs/dbraw/zinc/51/96/57/488519657.db2.gz GAEORKMDILNVQT-KZNAEPCWSA-N 1 3 362.518 0.920 20 0 FCADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000261768792 488535217 /nfs/dbraw/zinc/53/52/17/488535217.db2.gz WRGPAUJRPHHQQV-AWEZNQCLSA-N 1 3 351.447 0.999 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261799752 488536539 /nfs/dbraw/zinc/53/65/39/488536539.db2.gz IUXHQWXIPRSERD-TWMKSMIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114587404 488541817 /nfs/dbraw/zinc/54/18/17/488541817.db2.gz OLFPDCGLSSEVSB-GOSISDBHSA-N 1 3 369.554 0.408 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114587404 488541819 /nfs/dbraw/zinc/54/18/19/488541819.db2.gz OLFPDCGLSSEVSB-GOSISDBHSA-N 1 3 369.554 0.408 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000114602666 488541900 /nfs/dbraw/zinc/54/19/00/488541900.db2.gz VWVNHBVABMRXTB-QZTJIDSGSA-N 1 3 367.538 0.255 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000114602666 488541901 /nfs/dbraw/zinc/54/19/01/488541901.db2.gz VWVNHBVABMRXTB-QZTJIDSGSA-N 1 3 367.538 0.255 20 0 FCADHO C[C@H]1CCC[C@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)(N(C)C)C1 ZINC000262029784 488546976 /nfs/dbraw/zinc/54/69/76/488546976.db2.gz BIYCJHKTTKVGLV-HOCLYGCPSA-N 1 3 359.536 0.780 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262059486 488548590 /nfs/dbraw/zinc/54/85/90/488548590.db2.gz ATHANBQENDTQSY-UHFFFAOYSA-N 1 3 363.506 0.967 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1=O ZINC000262598831 488579906 /nfs/dbraw/zinc/57/99/06/488579906.db2.gz WNYZKFKZTYEFNH-MWDXBVQZSA-N 1 3 350.507 0.905 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cn1 ZINC000262966540 488601235 /nfs/dbraw/zinc/60/12/35/488601235.db2.gz LJCFNCQRZLKASD-PBHICJAKSA-N 1 3 350.467 0.407 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316040 488616302 /nfs/dbraw/zinc/61/63/02/488616302.db2.gz VCQKKAVBDYZQEO-CVEARBPZSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316040 488616303 /nfs/dbraw/zinc/61/63/03/488616303.db2.gz VCQKKAVBDYZQEO-CVEARBPZSA-N 1 3 363.506 0.561 20 0 FCADHO COC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000127364145 488616343 /nfs/dbraw/zinc/61/63/43/488616343.db2.gz RPPGXGYQYOSQMF-LJQANCHMSA-N 1 3 363.502 0.954 20 0 FCADHO COC[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC[NH2+]C1 ZINC000563076886 491213320 /nfs/dbraw/zinc/21/33/20/491213320.db2.gz KDRMUSNPRBGYGC-HXUWFJFHSA-N 1 3 361.486 0.886 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000130528755 488637995 /nfs/dbraw/zinc/63/79/95/488637995.db2.gz AWAZFKBFKIKVEM-VWLOTQADSA-N 1 3 368.503 0.314 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000130527624 488638186 /nfs/dbraw/zinc/63/81/86/488638186.db2.gz OIOXLTZAKWJEOK-UHFFFAOYSA-N 1 3 360.380 0.994 20 0 FCADHO COc1ccc(F)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130574123 488638536 /nfs/dbraw/zinc/63/85/36/488638536.db2.gz KVKALFRRRXZIIL-UHFFFAOYSA-N 1 3 354.426 0.725 20 0 FCADHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000132028502 488650089 /nfs/dbraw/zinc/65/00/89/488650089.db2.gz NNUCPMGSKOVTGY-OAHLLOKOSA-N 1 3 362.474 0.554 20 0 FCADHO CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000136247229 488676958 /nfs/dbraw/zinc/67/69/58/488676958.db2.gz JQAADNHUXCEMGE-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CCN1CCN(CCCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136413821 488677669 /nfs/dbraw/zinc/67/76/69/488677669.db2.gz QUKNDVOKKUQQHG-UHFFFAOYSA-N 1 3 363.506 0.779 20 0 FCADHO CC1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000136826639 488679039 /nfs/dbraw/zinc/67/90/39/488679039.db2.gz JBYZPTZFIWBXAT-KRWDZBQOSA-N 1 3 365.522 0.666 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137021772 488679551 /nfs/dbraw/zinc/67/95/51/488679551.db2.gz PGJWZEXMCWLVRT-UHFFFAOYSA-N 1 3 363.506 0.732 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C[NH+]1CCCC1 ZINC000137120992 488680088 /nfs/dbraw/zinc/68/00/88/488680088.db2.gz YLZKMLRSSCKIQB-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000139958396 488686197 /nfs/dbraw/zinc/68/61/97/488686197.db2.gz FBLKFSBBCGZASQ-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000139958396 488686200 /nfs/dbraw/zinc/68/62/00/488686200.db2.gz FBLKFSBBCGZASQ-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](CNC(=O)Cc1ccc(CC(=O)NC[C@H](C)N(C)C)cc1)[NH+](C)C ZINC000274199139 488689882 /nfs/dbraw/zinc/68/98/82/488689882.db2.gz RHIKFZLEIAMZMU-IYBDPMFKSA-N 1 3 362.518 0.904 20 0 FCADHO C[C@H](CNC(=O)Cc1ccc(CC(=O)NC[C@H](C)[NH+](C)C)cc1)N(C)C ZINC000274199139 488689883 /nfs/dbraw/zinc/68/98/83/488689883.db2.gz RHIKFZLEIAMZMU-IYBDPMFKSA-N 1 3 362.518 0.904 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151157777 488702413 /nfs/dbraw/zinc/70/24/13/488702413.db2.gz RMROTVUAWAIAPO-CQSZACIVSA-N 1 3 350.467 0.374 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C[NH+]1CCCC1 ZINC000151736398 488709048 /nfs/dbraw/zinc/70/90/48/488709048.db2.gz VLAPEBVCFMORFW-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000153158213 488727485 /nfs/dbraw/zinc/72/74/85/488727485.db2.gz KOMNZDYZQUDTLZ-CQSZACIVSA-N 1 3 366.510 0.866 20 0 FCADHO CN1CCC(O)(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000266773340 488728564 /nfs/dbraw/zinc/72/85/64/488728564.db2.gz ITDPKEAUMREMGP-UHFFFAOYSA-N 1 3 360.502 0.842 20 0 FCADHO CN(C)CCN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000153326595 488730255 /nfs/dbraw/zinc/73/02/55/488730255.db2.gz JUBXYERLTVATJK-UHFFFAOYSA-N 1 3 369.554 0.501 20 0 FCADHO CN(C)CCN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000153326595 488730257 /nfs/dbraw/zinc/73/02/57/488730257.db2.gz JUBXYERLTVATJK-UHFFFAOYSA-N 1 3 369.554 0.501 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C)c(OCC[NH+](C)C)c1 ZINC000154809077 488747543 /nfs/dbraw/zinc/74/75/43/488747543.db2.gz KMHASMAODKQHFL-UHFFFAOYSA-N 1 3 350.463 0.894 20 0 FCADHO C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(C)(C)C[NH+](C)C ZINC000155019335 488749955 /nfs/dbraw/zinc/74/99/55/488749955.db2.gz SKCLYUKQHPAPRD-ZDUSSCGKSA-N 1 3 352.483 0.476 20 0 FCADHO CSC[C@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000158199043 488776532 /nfs/dbraw/zinc/77/65/32/488776532.db2.gz YYRYCEKJIDSVDX-QGZVFWFLSA-N 1 3 358.552 0.958 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563151961 491222045 /nfs/dbraw/zinc/22/20/45/491222045.db2.gz BJAHOTHETDJQQO-IRXDYDNUSA-N 1 3 366.506 0.252 20 0 FCADHO COCCCN(C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173147811 488841297 /nfs/dbraw/zinc/84/12/97/488841297.db2.gz JYAXXSDHZXLEJU-MRXNPFEDSA-N 1 3 356.511 0.755 20 0 FCADHO CN1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000570294894 491231442 /nfs/dbraw/zinc/23/14/42/491231442.db2.gz XHUKAWUNKXHERU-IPYPFGDCSA-N 1 3 350.488 0.725 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CC(=O)NCC(F)(F)F)CC2)CC1 ZINC000330740003 489138896 /nfs/dbraw/zinc/13/88/96/489138896.db2.gz AJKMNUXAJYIBBG-UHFFFAOYSA-N 1 3 364.412 0.730 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491146 489188691 /nfs/dbraw/zinc/18/86/91/489188691.db2.gz DOBSQUGECDVMJE-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491146 489188693 /nfs/dbraw/zinc/18/86/93/489188693.db2.gz DOBSQUGECDVMJE-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO CN1CCC(NC(=O)[C@H]2CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000332748597 489224571 /nfs/dbraw/zinc/22/45/71/489224571.db2.gz HODJGJZROPGGCN-IRXDYDNUSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)NCCN(C)C ZINC000563402557 491242645 /nfs/dbraw/zinc/24/26/45/491242645.db2.gz BBUBLCWWWBFEKG-DZGCQCFKSA-N 1 3 356.536 0.386 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)N(C)C ZINC000299033544 489398083 /nfs/dbraw/zinc/39/80/83/489398083.db2.gz WFCTXZCKCNPILM-OAHLLOKOSA-N 1 3 361.490 0.833 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)N(C)C ZINC000299033544 489398084 /nfs/dbraw/zinc/39/80/84/489398084.db2.gz WFCTXZCKCNPILM-OAHLLOKOSA-N 1 3 361.490 0.833 20 0 FCADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000570651382 491255676 /nfs/dbraw/zinc/25/56/76/491255676.db2.gz QIYPJFJVRLULEX-MSOLQXFVSA-N 1 3 373.501 0.982 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423128513 489495647 /nfs/dbraw/zinc/49/56/47/489495647.db2.gz KTGMFUJWTWQJGS-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423157376 489497515 /nfs/dbraw/zinc/49/75/15/489497515.db2.gz ARTNVKMVRWLWIU-INIZCTEOSA-N 1 3 350.438 0.536 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000423165167 489498676 /nfs/dbraw/zinc/49/86/76/489498676.db2.gz APBBRZUNULBWHG-ZBFHGGJFSA-N 1 3 364.490 0.922 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000423164745 489498706 /nfs/dbraw/zinc/49/87/06/489498706.db2.gz AABOOPRFNZMUCW-GJZGRUSLSA-N 1 3 350.463 0.674 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423202734 489502002 /nfs/dbraw/zinc/50/20/02/489502002.db2.gz LDXIIPHDYYOALM-GOEBONIOSA-N 1 3 364.465 0.912 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423203715 489502012 /nfs/dbraw/zinc/50/20/12/489502012.db2.gz NAMRMSJUJLBWTI-MRXNPFEDSA-N 1 3 350.438 0.666 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423207126 489502645 /nfs/dbraw/zinc/50/26/45/489502645.db2.gz RBXPAQATIOHNHO-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000423258181 489507727 /nfs/dbraw/zinc/50/77/27/489507727.db2.gz LNIJENXSHFJBBJ-SFHVURJKSA-N 1 3 360.502 0.953 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423258445 489508047 /nfs/dbraw/zinc/50/80/47/489508047.db2.gz MCRPJWISYDFZOY-OALUTQOASA-N 1 3 372.513 0.953 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415511717 489526426 /nfs/dbraw/zinc/52/64/26/489526426.db2.gz QUBJNEKWZVQUAI-NSHDSACASA-N 1 3 356.854 0.930 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC[NH2+]C)cc2)CC1 ZINC000415549583 489528570 /nfs/dbraw/zinc/52/85/70/489528570.db2.gz TUNANBLDLRCYGG-UHFFFAOYSA-N 1 3 361.490 0.440 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CC1 ZINC000415681671 489541357 /nfs/dbraw/zinc/54/13/57/489541357.db2.gz ABPJFAXOVSEXBA-FQEVSTJZSA-N 1 3 373.501 0.964 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)n1 ZINC000415713493 489544723 /nfs/dbraw/zinc/54/47/23/489544723.db2.gz TXLJVFFIFCBVQD-UHFFFAOYSA-N 1 3 364.494 0.751 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415727629 489546741 /nfs/dbraw/zinc/54/67/41/489546741.db2.gz QTLRHAATIFFILC-KRWDZBQOSA-N 1 3 373.501 0.501 20 0 FCADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000415782159 489552558 /nfs/dbraw/zinc/55/25/58/489552558.db2.gz KMWQNZMABXTLCA-HNNXBMFYSA-N 1 3 361.490 0.929 20 0 FCADHO Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)ccc1OCCN(C)C ZINC000415791005 489553282 /nfs/dbraw/zinc/55/32/82/489553282.db2.gz QEZNMYNGUBTKCU-ZDUSSCGKSA-N 1 3 372.416 0.973 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(OCCN(C)C)c1 ZINC000415818375 489555456 /nfs/dbraw/zinc/55/54/56/489555456.db2.gz SZUJVMXZQKNELW-ZBFHGGJFSA-N 1 3 360.458 0.694 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCC(OCCN(C)C)CC1)C(C)C ZINC000555661760 491263273 /nfs/dbraw/zinc/26/32/73/491263273.db2.gz QITYPGXSEHAZPK-UHFFFAOYSA-N 1 3 370.538 0.791 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426550022 489574559 /nfs/dbraw/zinc/57/45/59/489574559.db2.gz VNRGSMIUZXRKLY-JKSUJKDBSA-N 1 3 354.495 0.120 20 0 FCADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427125603 489595728 /nfs/dbraw/zinc/59/57/28/489595728.db2.gz FJGJOWMOELGCCH-UHFFFAOYSA-N 1 3 364.494 0.935 20 0 FCADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427125603 489595730 /nfs/dbraw/zinc/59/57/30/489595730.db2.gz FJGJOWMOELGCCH-UHFFFAOYSA-N 1 3 364.494 0.935 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128033 489595929 /nfs/dbraw/zinc/59/59/29/489595929.db2.gz JFEYXALUJKYFTF-CVEARBPZSA-N 1 3 374.489 0.831 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128033 489595931 /nfs/dbraw/zinc/59/59/31/489595931.db2.gz JFEYXALUJKYFTF-CVEARBPZSA-N 1 3 374.489 0.831 20 0 FCADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810610 489629832 /nfs/dbraw/zinc/62/98/32/489629832.db2.gz QYGVCYUVYXYTQM-IRXDYDNUSA-N 1 3 361.490 0.786 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000416831351 489631267 /nfs/dbraw/zinc/63/12/67/489631267.db2.gz BBRGEVSVELNMRQ-QZTJIDSGSA-N 1 3 373.501 0.757 20 0 FCADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417090714 489640559 /nfs/dbraw/zinc/64/05/59/489640559.db2.gz XZZIYNAPTIFWQK-JZXOWHBKSA-N 1 3 367.538 0.909 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417091717 489641148 /nfs/dbraw/zinc/64/11/48/489641148.db2.gz KMENVEJIOLQTIO-SJORKVTESA-N 1 3 356.511 0.883 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417323624 489649000 /nfs/dbraw/zinc/64/90/00/489649000.db2.gz HAADHLVSWBRHOX-OWCLPIDISA-N 1 3 353.511 0.603 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417363216 489649566 /nfs/dbraw/zinc/64/95/66/489649566.db2.gz AQOCGIXXVXVNEG-MSOLQXFVSA-N 1 3 372.517 0.845 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417355268 489649642 /nfs/dbraw/zinc/64/96/42/489649642.db2.gz DFOZMZGYRWJHFL-INIZCTEOSA-N 1 3 350.463 0.886 20 0 FCADHO CN(C(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000417364181 489649938 /nfs/dbraw/zinc/64/99/38/489649938.db2.gz HEMBUGDUFNAIIH-UHFFFAOYSA-N 1 3 360.506 0.987 20 0 FCADHO C[C@]1(C[NH3+])CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417377781 489650121 /nfs/dbraw/zinc/65/01/21/489650121.db2.gz DOTRRKBQOWKUCI-LJQANCHMSA-N 1 3 360.506 0.974 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417426415 489651952 /nfs/dbraw/zinc/65/19/52/489651952.db2.gz GNXOTXRDSJOKKM-HOTGVXAUSA-N 1 3 353.511 0.700 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417431059 489652911 /nfs/dbraw/zinc/65/29/11/489652911.db2.gz QKHCNZLOJLURAO-JKSUJKDBSA-N 1 3 355.527 0.944 20 0 FCADHO CCN(CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481882 489656480 /nfs/dbraw/zinc/65/64/80/489656480.db2.gz IEAHMXUNRMZTCE-DOTOQJQBSA-N 1 3 365.522 0.761 20 0 FCADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1CNCCO1 ZINC000417594329 489659696 /nfs/dbraw/zinc/65/96/96/489659696.db2.gz MDZUFMBWAAIELJ-GOSISDBHSA-N 1 3 362.474 0.949 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417753359 489664558 /nfs/dbraw/zinc/66/45/58/489664558.db2.gz OLKPJLPTMCDJGY-IAGOWNOFSA-N 1 3 356.511 0.883 20 0 FCADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417793314 489666033 /nfs/dbraw/zinc/66/60/33/489666033.db2.gz ZTFFHRNOFMQBFD-AWEZNQCLSA-N 1 3 356.492 0.886 20 0 FCADHO COC[C@@]1(CNC(=O)NCc2ccnc(OCCN(C)C)c2)CCC[NH2+]1 ZINC000417942896 489672453 /nfs/dbraw/zinc/67/24/53/489672453.db2.gz CAFBXSWSWDURPD-SFHVURJKSA-N 1 3 365.478 0.590 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418294379 489689292 /nfs/dbraw/zinc/68/92/92/489689292.db2.gz HABKLRIWZCCLCE-UHFFFAOYSA-N 1 3 369.460 0.943 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCN1CC[NH2+]CC1 ZINC000418310572 489690586 /nfs/dbraw/zinc/69/05/86/489690586.db2.gz YNZQYGNVANEYCD-UHFFFAOYSA-N 1 3 369.460 0.943 20 0 FCADHO C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CCN1C1CCN(C)CC1 ZINC000418304679 489691112 /nfs/dbraw/zinc/69/11/12/489691112.db2.gz YKXQHXQKQFIQFO-QGZVFWFLSA-N 1 3 366.554 0.092 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418391459 489695683 /nfs/dbraw/zinc/69/56/83/489695683.db2.gz VDFJMQSZLQFGLF-IRXDYDNUSA-N 1 3 363.506 0.558 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000563825701 491271907 /nfs/dbraw/zinc/27/19/07/491271907.db2.gz DXJRNDPBULFJMV-MRXNPFEDSA-N 1 3 369.554 0.223 20 0 FCADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418414360 489697457 /nfs/dbraw/zinc/69/74/57/489697457.db2.gz RQDBIVMORHWJTR-HZPDHXFCSA-N 1 3 353.511 0.795 20 0 FCADHO O=C(NCc1ccc2c(c1)CNC2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418561294 489707040 /nfs/dbraw/zinc/70/70/40/489707040.db2.gz YVDRUYWMXZSCCE-HNNXBMFYSA-N 1 3 371.407 0.925 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418635024 489713441 /nfs/dbraw/zinc/71/34/41/489713441.db2.gz JWVXVZNZPVJKKE-WBVHZDCISA-N 1 3 359.474 0.370 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418760967 489723061 /nfs/dbraw/zinc/72/30/61/489723061.db2.gz FPZWVYDVFBRJHI-JKSUJKDBSA-N 1 3 351.495 0.467 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774521 489725784 /nfs/dbraw/zinc/72/57/84/489725784.db2.gz YWRMCMPOHMNNGB-OALUTQOASA-N 1 3 374.533 0.981 20 0 FCADHO O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418779554 489725982 /nfs/dbraw/zinc/72/59/82/489725982.db2.gz ZESZSROIPVNULV-ARFHVFGLSA-N 1 3 368.428 0.918 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000418786906 489727658 /nfs/dbraw/zinc/72/76/58/489727658.db2.gz STKQVLUCUFJPNB-QGZVFWFLSA-N 1 3 373.501 0.265 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418833273 489745563 /nfs/dbraw/zinc/74/55/63/489745563.db2.gz IAIGVAMEADQQGM-JQHSSLGASA-N 1 3 360.502 0.861 20 0 FCADHO CC[NH2+]CC1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000430575911 489747643 /nfs/dbraw/zinc/74/76/43/489747643.db2.gz LPRWTHCZTQEHCH-UHFFFAOYSA-N 1 3 362.478 0.145 20 0 FCADHO Cc1nc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000555856342 491276971 /nfs/dbraw/zinc/27/69/71/491276971.db2.gz LELQFBZZSZYYOI-UHFFFAOYSA-N 1 3 355.508 0.062 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000418852217 489757227 /nfs/dbraw/zinc/75/72/27/489757227.db2.gz QKIJEMRNXKZETR-QGZVFWFLSA-N 1 3 360.502 0.781 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430874897 489774530 /nfs/dbraw/zinc/77/45/30/489774530.db2.gz JACOWGALOKZFIU-NCOADZHNSA-N 1 3 350.507 0.966 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430894029 489775429 /nfs/dbraw/zinc/77/54/29/489775429.db2.gz JBJDZFLQGGHDQA-OAHLLOKOSA-N 1 3 350.467 0.352 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000376705538 489779685 /nfs/dbraw/zinc/77/96/85/489779685.db2.gz FOZHHGFLPUKADV-IKGGRYGDSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000376705538 489779687 /nfs/dbraw/zinc/77/96/87/489779687.db2.gz FOZHHGFLPUKADV-IKGGRYGDSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000376705538 489779690 /nfs/dbraw/zinc/77/96/90/489779690.db2.gz FOZHHGFLPUKADV-IKGGRYGDSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000418954172 489803838 /nfs/dbraw/zinc/80/38/38/489803838.db2.gz WCHCMXMXVWZJGG-JXFKEZNVSA-N 1 3 358.486 0.835 20 0 FCADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419009441 489816021 /nfs/dbraw/zinc/81/60/21/489816021.db2.gz NFMZAFLGOQEQOB-QGZVFWFLSA-N 1 3 362.474 0.249 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419019389 489820320 /nfs/dbraw/zinc/82/03/20/489820320.db2.gz DIRBYJVLAISCSI-QPSCCSFWSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419019389 489820322 /nfs/dbraw/zinc/82/03/22/489820322.db2.gz DIRBYJVLAISCSI-QPSCCSFWSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419023062 489821656 /nfs/dbraw/zinc/82/16/56/489821656.db2.gz IZFHBDGRLQBCBZ-XFIYOXNOSA-N 1 3 368.522 0.698 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419023062 489821661 /nfs/dbraw/zinc/82/16/61/489821661.db2.gz IZFHBDGRLQBCBZ-XFIYOXNOSA-N 1 3 368.522 0.698 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419026391 489823313 /nfs/dbraw/zinc/82/33/13/489823313.db2.gz NLXQBKUDZGPJPL-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419031083 489825706 /nfs/dbraw/zinc/82/57/06/489825706.db2.gz IJCHWWOIHSUUOQ-OAHLLOKOSA-N 1 3 368.547 0.662 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)[C@H](C)C1 ZINC000419043229 489831485 /nfs/dbraw/zinc/83/14/85/489831485.db2.gz QVCVLURFKPFUOE-ZACQAIPSSA-N 1 3 368.522 0.579 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)[C@H](C)C1 ZINC000419043229 489831489 /nfs/dbraw/zinc/83/14/89/489831489.db2.gz QVCVLURFKPFUOE-ZACQAIPSSA-N 1 3 368.522 0.579 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN)[C@@H](C)C1 ZINC000419044626 489832240 /nfs/dbraw/zinc/83/22/40/489832240.db2.gz UKRFSRHESZZXFS-XHSDSOJGSA-N 1 3 354.495 0.189 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN)[C@@H](C)C1 ZINC000419044626 489832242 /nfs/dbraw/zinc/83/22/42/489832242.db2.gz UKRFSRHESZZXFS-XHSDSOJGSA-N 1 3 354.495 0.189 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419047053 489834470 /nfs/dbraw/zinc/83/44/70/489834470.db2.gz RGJOVGBORCCDSX-ARFHVFGLSA-N 1 3 368.522 0.578 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419051893 489835987 /nfs/dbraw/zinc/83/59/87/489835987.db2.gz CFONKDYAQJKNTO-KZNAEPCWSA-N 1 3 374.485 0.199 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067456 491283932 /nfs/dbraw/zinc/28/39/32/491283932.db2.gz UBAJBRALYUBXDA-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067456 491283935 /nfs/dbraw/zinc/28/39/35/491283935.db2.gz UBAJBRALYUBXDA-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419118029 489863481 /nfs/dbraw/zinc/86/34/81/489863481.db2.gz NIMLADNECRCCSR-HIFRSBDPSA-N 1 3 354.495 0.452 20 0 FCADHO CC(C)OC[C@H](CO)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000433338243 489876867 /nfs/dbraw/zinc/87/68/67/489876867.db2.gz VEAJEYQHMDVVML-SFHVURJKSA-N 1 3 370.538 0.972 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420012953 489880930 /nfs/dbraw/zinc/88/09/30/489880930.db2.gz JKEVYAZGUMLWSF-BFYDXBDKSA-N 1 3 368.522 0.434 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433470151 489888064 /nfs/dbraw/zinc/88/80/64/489888064.db2.gz YGWVWOTXMGEDSS-ZWKOTPCHSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433470151 489888068 /nfs/dbraw/zinc/88/80/68/489888068.db2.gz YGWVWOTXMGEDSS-ZWKOTPCHSA-N 1 3 369.554 0.813 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420042009 489890989 /nfs/dbraw/zinc/89/09/89/489890989.db2.gz CVOAXEKSBABIJT-UHFFFAOYSA-N 1 3 356.417 0.709 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000420044156 489891816 /nfs/dbraw/zinc/89/18/16/489891816.db2.gz SOZLKFJDWWGGKJ-IMJJTQAJSA-N 1 3 366.506 0.406 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044156 489891819 /nfs/dbraw/zinc/89/18/19/489891819.db2.gz SOZLKFJDWWGGKJ-IMJJTQAJSA-N 1 3 366.506 0.406 20 0 FCADHO CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000420062293 489899336 /nfs/dbraw/zinc/89/93/36/489899336.db2.gz MEEUKICNDPPVQQ-SFHVURJKSA-N 1 3 358.486 0.963 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069221 489901996 /nfs/dbraw/zinc/90/19/96/489901996.db2.gz VNMMYJPCABRDPI-ZWKOTPCHSA-N 1 3 373.501 0.748 20 0 FCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420095324 489910244 /nfs/dbraw/zinc/91/02/44/489910244.db2.gz FSIOYSCBMVZJRG-GOSISDBHSA-N 1 3 356.470 0.993 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000420167788 489938397 /nfs/dbraw/zinc/93/83/97/489938397.db2.gz JNVCUSZJYONJAE-CQSZACIVSA-N 1 3 352.454 0.830 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169704 491290057 /nfs/dbraw/zinc/29/00/57/491290057.db2.gz YAVXQTCOODHJPB-GVDBMIGSSA-N 1 3 363.506 0.608 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000420188620 489946202 /nfs/dbraw/zinc/94/62/02/489946202.db2.gz FOWCPQSNRLYKHS-HUUCEWRRSA-N 1 3 350.463 0.722 20 0 FCADHO Cn1cc(CN2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1 ZINC000420359895 489967863 /nfs/dbraw/zinc/96/78/63/489967863.db2.gz LBJJRWNCFGYQGH-PMACEKPBSA-N 1 3 357.502 0.859 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000420392351 489971765 /nfs/dbraw/zinc/97/17/65/489971765.db2.gz PJSDUKOERWEDNN-JQHSSLGASA-N 1 3 352.523 0.757 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420407656 489972234 /nfs/dbraw/zinc/97/22/34/489972234.db2.gz UVVWYHSNHBQLMW-WFASDCNBSA-N 1 3 357.524 0.952 20 0 FCADHO C[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420406301 489972805 /nfs/dbraw/zinc/97/28/05/489972805.db2.gz NMSUCMFCZCPYFY-CHWSQXEVSA-N 1 3 354.476 0.579 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000420437192 489976208 /nfs/dbraw/zinc/97/62/08/489976208.db2.gz UQUHLBHLZHVRNE-OAHLLOKOSA-N 1 3 357.524 0.954 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000477655399 489982704 /nfs/dbraw/zinc/98/27/04/489982704.db2.gz XIFMLNXZTDMGNY-MRXNPFEDSA-N 1 3 368.522 0.308 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000477655399 489982706 /nfs/dbraw/zinc/98/27/06/489982706.db2.gz XIFMLNXZTDMGNY-MRXNPFEDSA-N 1 3 368.522 0.308 20 0 FCADHO CCc1cnccc1[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000571207627 491292936 /nfs/dbraw/zinc/29/29/36/491292936.db2.gz WLYRDEFEQALHNR-HNNXBMFYSA-N 1 3 363.506 0.773 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCOCCN(C)C)([NH+](C)C)C1 ZINC000478013389 489999996 /nfs/dbraw/zinc/99/99/96/489999996.db2.gz CVMVLJNTBLZVDV-QAPCUYQASA-N 1 3 356.511 0.308 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479201607 490072935 /nfs/dbraw/zinc/07/29/35/490072935.db2.gz ISCWKVCHMTVVPL-SJORKVTESA-N 1 3 364.465 0.927 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496413057 490118342 /nfs/dbraw/zinc/11/83/42/490118342.db2.gz SOSZGJWKMYHHDS-UHFFFAOYSA-N 1 3 367.538 0.118 20 0 FCADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000422027658 490127921 /nfs/dbraw/zinc/12/79/21/490127921.db2.gz WMZWCKZHOTYUKI-SFHVURJKSA-N 1 3 366.550 0.973 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000422027658 490127927 /nfs/dbraw/zinc/12/79/27/490127927.db2.gz WMZWCKZHOTYUKI-SFHVURJKSA-N 1 3 366.550 0.973 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000422027658 490127933 /nfs/dbraw/zinc/12/79/33/490127933.db2.gz WMZWCKZHOTYUKI-SFHVURJKSA-N 1 3 366.550 0.973 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569470 490130037 /nfs/dbraw/zinc/13/00/37/490130037.db2.gz NFJKCLJKRBKDDC-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569470 490130045 /nfs/dbraw/zinc/13/00/45/490130045.db2.gz NFJKCLJKRBKDDC-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354153 491302885 /nfs/dbraw/zinc/30/28/85/491302885.db2.gz DPBPJQUZNLPJDH-JKSUJKDBSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354153 491302888 /nfs/dbraw/zinc/30/28/88/491302888.db2.gz DPBPJQUZNLPJDH-JKSUJKDBSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000422120243 490172544 /nfs/dbraw/zinc/17/25/44/490172544.db2.gz PNQLFWCAAOZRHC-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120243 490172552 /nfs/dbraw/zinc/17/25/52/490172552.db2.gz PNQLFWCAAOZRHC-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)n1 ZINC000447421693 490234214 /nfs/dbraw/zinc/23/42/14/490234214.db2.gz HOHUTNGBRXWSJA-UHFFFAOYSA-N 1 3 364.494 0.621 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000422291855 490235527 /nfs/dbraw/zinc/23/55/27/490235527.db2.gz FMSHYZYQEVOHCW-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000422291855 490235532 /nfs/dbraw/zinc/23/55/32/490235532.db2.gz FMSHYZYQEVOHCW-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000422291850 490235765 /nfs/dbraw/zinc/23/57/65/490235765.db2.gz FMSHYZYQEVOHCW-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000422291850 490235768 /nfs/dbraw/zinc/23/57/68/490235768.db2.gz FMSHYZYQEVOHCW-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000498113723 490261105 /nfs/dbraw/zinc/26/11/05/490261105.db2.gz IHIVTIGTQFXDMT-UHFFFAOYSA-N 1 3 368.570 0.291 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344036 490269274 /nfs/dbraw/zinc/26/92/74/490269274.db2.gz USASOMCAOFDZBE-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344036 490269280 /nfs/dbraw/zinc/26/92/80/490269280.db2.gz USASOMCAOFDZBE-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000521624438 490283255 /nfs/dbraw/zinc/28/32/55/490283255.db2.gz AQMACGHOJGIEOJ-LSDHHAIUSA-N 1 3 355.508 0.292 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)NCC(F)F)CC2)CC1 ZINC000483146396 490287317 /nfs/dbraw/zinc/28/73/17/490287317.db2.gz HXCCCPQKYNWZGU-UHFFFAOYSA-N 1 3 361.437 0.226 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000422379269 490288969 /nfs/dbraw/zinc/28/89/69/490288969.db2.gz NUCMJYAYDSDULH-IAGOWNOFSA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000422379269 490288977 /nfs/dbraw/zinc/28/89/77/490288977.db2.gz NUCMJYAYDSDULH-IAGOWNOFSA-N 1 3 368.522 0.545 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979831 490307297 /nfs/dbraw/zinc/30/72/97/490307297.db2.gz BKSOOORWDCORTP-JKSUJKDBSA-N 1 3 367.538 0.993 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979831 490307300 /nfs/dbraw/zinc/30/73/00/490307300.db2.gz BKSOOORWDCORTP-JKSUJKDBSA-N 1 3 367.538 0.993 20 0 FCADHO [NH3+]Cc1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000521998717 490324304 /nfs/dbraw/zinc/32/43/04/490324304.db2.gz CMCWERCPKWJUMZ-UHFFFAOYSA-N 1 3 359.474 0.595 20 0 FCADHO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000534272082 490338979 /nfs/dbraw/zinc/33/89/79/490338979.db2.gz QRYOXUGBRZHFTM-HNNXBMFYSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCC[C@@H]1C ZINC000448488092 490356136 /nfs/dbraw/zinc/35/61/36/490356136.db2.gz OTQKWBWVVRCSKX-LSDHHAIUSA-N 1 3 364.494 0.762 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCCCC1 ZINC000571658704 491321383 /nfs/dbraw/zinc/32/13/83/491321383.db2.gz QKTIBQCJGQATMK-LSDHHAIUSA-N 1 3 351.495 0.594 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C)ccc1OCC[NH+](C)C ZINC000411147875 490394259 /nfs/dbraw/zinc/39/42/59/490394259.db2.gz YVOLGJUGALUPGH-CQSZACIVSA-N 1 3 350.463 0.940 20 0 FCADHO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548034687 490410093 /nfs/dbraw/zinc/41/00/93/490410093.db2.gz SPTDXQAYWKJAMA-QGZVFWFLSA-N 1 3 369.554 0.501 20 0 FCADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571745542 491326381 /nfs/dbraw/zinc/32/63/81/491326381.db2.gz ZZFJOSNXTQHTLJ-OALUTQOASA-N 1 3 357.502 0.950 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523209568 490448702 /nfs/dbraw/zinc/44/87/02/490448702.db2.gz PIOZWNRWZLCFEX-WBVHZDCISA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000523209568 490448707 /nfs/dbraw/zinc/44/87/07/490448707.db2.gz PIOZWNRWZLCFEX-WBVHZDCISA-N 1 3 365.522 0.713 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440299 490485945 /nfs/dbraw/zinc/48/59/45/490485945.db2.gz KEYVGTDBZUAWGA-GHTZIAJQSA-N 1 3 374.529 0.766 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440299 490485951 /nfs/dbraw/zinc/48/59/51/490485951.db2.gz KEYVGTDBZUAWGA-GHTZIAJQSA-N 1 3 374.529 0.766 20 0 FCADHO CN1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693098 490486870 /nfs/dbraw/zinc/48/68/70/490486870.db2.gz VDDVHAMBFNXAJB-VXGBXAGGSA-N 1 3 351.476 0.601 20 0 FCADHO CN1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693098 490486872 /nfs/dbraw/zinc/48/68/72/490486872.db2.gz VDDVHAMBFNXAJB-VXGBXAGGSA-N 1 3 351.476 0.601 20 0 FCADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985302 490511822 /nfs/dbraw/zinc/51/18/22/490511822.db2.gz DANHINDXLJBWQU-YESZJQIVSA-N 1 3 360.506 0.999 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985302 490511827 /nfs/dbraw/zinc/51/18/27/490511827.db2.gz DANHINDXLJBWQU-YESZJQIVSA-N 1 3 360.506 0.999 20 0 FCADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000485482528 490534175 /nfs/dbraw/zinc/53/41/75/490534175.db2.gz SVAGQBYMDFHTAH-DLBZAZTESA-N 1 3 366.506 0.081 20 0 FCADHO COC[C@]1(CNS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCC[NH2+]1 ZINC000571881667 491334922 /nfs/dbraw/zinc/33/49/22/491334922.db2.gz XBUYTWWFPUVXAQ-MRXNPFEDSA-N 1 3 373.523 0.108 20 0 FCADHO CN(C)c1nccc(N2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)CC2)n1 ZINC000485792984 490559353 /nfs/dbraw/zinc/55/93/53/490559353.db2.gz ZTDHDGGUUDRHHQ-CYBMUJFWSA-N 1 3 370.461 0.305 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000556796032 491337436 /nfs/dbraw/zinc/33/74/36/491337436.db2.gz TWDCVXWZZBHYNV-QGZVFWFLSA-N 1 3 368.522 0.500 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)CC1 ZINC000556797127 491337965 /nfs/dbraw/zinc/33/79/65/491337965.db2.gz YMBWFHATZBKGBN-MSOLQXFVSA-N 1 3 362.518 0.873 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501594000 490621270 /nfs/dbraw/zinc/62/12/70/490621270.db2.gz CZQIMLIWFMEYRR-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501594000 490621275 /nfs/dbraw/zinc/62/12/75/490621275.db2.gz CZQIMLIWFMEYRR-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000525882743 490646080 /nfs/dbraw/zinc/64/60/80/490646080.db2.gz BHSRVZGOZACDOA-UHFFFAOYSA-N 1 3 360.462 0.464 20 0 FCADHO COCCO[C@H]1C[C@H](CO)C[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848916 490647083 /nfs/dbraw/zinc/64/70/83/490647083.db2.gz HQSOZRSZAOARAS-OALUTQOASA-N 1 3 357.539 0.748 20 0 FCADHO COCCO[C@H]1C[C@H](CO)C[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848916 490647088 /nfs/dbraw/zinc/64/70/88/490647088.db2.gz HQSOZRSZAOARAS-OALUTQOASA-N 1 3 357.539 0.748 20 0 FCADHO COCCCNC(=O)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000564989243 491344317 /nfs/dbraw/zinc/34/43/17/491344317.db2.gz FKCZYLALARYOOM-OALUTQOASA-N 1 3 363.502 0.782 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000564992190 491344486 /nfs/dbraw/zinc/34/44/86/491344486.db2.gz IJMLAVRSFLDUQJ-KDOFPFPSSA-N 1 3 361.490 0.823 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512666941 490692479 /nfs/dbraw/zinc/69/24/79/490692479.db2.gz MYBUTJKDLLPNHE-QZTJIDSGSA-N 1 3 367.538 0.303 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000512666941 490692482 /nfs/dbraw/zinc/69/24/82/490692482.db2.gz MYBUTJKDLLPNHE-QZTJIDSGSA-N 1 3 367.538 0.303 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(OC)c1 ZINC000527124014 490701589 /nfs/dbraw/zinc/70/15/89/490701589.db2.gz SXMWWQKBSPYYIO-UHFFFAOYSA-N 1 3 366.462 0.594 20 0 FCADHO CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000512851478 490701976 /nfs/dbraw/zinc/70/19/76/490701976.db2.gz JPXQRCVYYBRBOR-GOSISDBHSA-N 1 3 367.538 0.255 20 0 FCADHO CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000512851478 490701978 /nfs/dbraw/zinc/70/19/78/490701978.db2.gz JPXQRCVYYBRBOR-GOSISDBHSA-N 1 3 367.538 0.255 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419537 490704079 /nfs/dbraw/zinc/70/40/79/490704079.db2.gz OMPNFHCUUOJUPV-PJVZLEMVSA-N 1 3 355.523 0.642 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419537 490704080 /nfs/dbraw/zinc/70/40/80/490704080.db2.gz OMPNFHCUUOJUPV-PJVZLEMVSA-N 1 3 355.523 0.642 20 0 FCADHO CC(C)Oc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000527374167 490720848 /nfs/dbraw/zinc/72/08/48/490720848.db2.gz RKMXJJQSUNVJQX-UHFFFAOYSA-N 1 3 365.478 0.759 20 0 FCADHO COc1ncc(C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527373803 490720908 /nfs/dbraw/zinc/72/09/08/490720908.db2.gz HIIUFQUPGNMXOO-UHFFFAOYSA-N 1 3 351.451 0.289 20 0 FCADHO CCOC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527723507 490754732 /nfs/dbraw/zinc/75/47/32/490754732.db2.gz BMFRKNYPLDDLTH-SFHVURJKSA-N 1 3 368.522 0.992 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000557151606 491356720 /nfs/dbraw/zinc/35/67/20/491356720.db2.gz UZZYOMSYHJVFMR-KRWDZBQOSA-N 1 3 363.506 0.454 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731132 490837925 /nfs/dbraw/zinc/83/79/25/490837925.db2.gz HVOYBFGNEFKJBA-OAHLLOKOSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731132 490837927 /nfs/dbraw/zinc/83/79/27/490837927.db2.gz HVOYBFGNEFKJBA-OAHLLOKOSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224461 491361309 /nfs/dbraw/zinc/36/13/09/491361309.db2.gz JENATBPKJNDRCU-VQIMIIECSA-N 1 3 360.458 0.496 20 0 FCADHO CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224461 491361312 /nfs/dbraw/zinc/36/13/12/491361312.db2.gz JENATBPKJNDRCU-VQIMIIECSA-N 1 3 360.458 0.496 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000516102086 490850838 /nfs/dbraw/zinc/85/08/38/490850838.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 1 3 351.499 0.038 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000516102086 490850840 /nfs/dbraw/zinc/85/08/40/490850840.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 1 3 351.499 0.038 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000516925710 490885180 /nfs/dbraw/zinc/88/51/80/490885180.db2.gz AITRXUVZYVJMAD-INIZCTEOSA-N 1 3 368.428 0.723 20 0 FCADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000516990704 490889529 /nfs/dbraw/zinc/88/95/29/490889529.db2.gz MQZHIVYTBHAMPN-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241542 490895196 /nfs/dbraw/zinc/89/51/96/490895196.db2.gz QQOVSBDFSRUPCJ-PVAVHDDUSA-N 1 3 366.506 0.189 20 0 FCADHO CN1CCN(c2ncc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000530249723 490895281 /nfs/dbraw/zinc/89/52/81/490895281.db2.gz YCHVSMAXJVAGQW-LJQANCHMSA-N 1 3 374.533 0.819 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000517367419 490905962 /nfs/dbraw/zinc/90/59/62/490905962.db2.gz KUOASYNLKUUJDU-OAHLLOKOSA-N 1 3 351.499 0.020 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000517367411 490906169 /nfs/dbraw/zinc/90/61/69/490906169.db2.gz KUOASYNLKUUJDU-HNNXBMFYSA-N 1 3 351.499 0.020 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccccc1 ZINC000530641186 490917199 /nfs/dbraw/zinc/91/71/99/490917199.db2.gz GTJIETOUUBJJQC-UHFFFAOYSA-N 1 3 370.519 0.307 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCN1C ZINC000517821309 490922540 /nfs/dbraw/zinc/92/25/40/490922540.db2.gz RRQUPTKONPAECT-HOTGVXAUSA-N 1 3 353.511 0.761 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000518290350 490935833 /nfs/dbraw/zinc/93/58/33/490935833.db2.gz HBLYLXRSQWOASC-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000518290725 490936212 /nfs/dbraw/zinc/93/62/12/490936212.db2.gz OEQOIJQAWLHAQH-OAHLLOKOSA-N 1 3 355.527 0.959 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000518290725 490936213 /nfs/dbraw/zinc/93/62/13/490936213.db2.gz OEQOIJQAWLHAQH-OAHLLOKOSA-N 1 3 355.527 0.959 20 0 FCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565253880 491365755 /nfs/dbraw/zinc/36/57/55/491365755.db2.gz KLTIVABAYLTWBD-RBSFLKMASA-N 1 3 351.495 0.450 20 0 FCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565253880 491365757 /nfs/dbraw/zinc/36/57/57/491365757.db2.gz KLTIVABAYLTWBD-RBSFLKMASA-N 1 3 351.495 0.450 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252967 491365878 /nfs/dbraw/zinc/36/58/78/491365878.db2.gz FZXVTQIFIYOGPQ-OIISXLGYSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252967 491365879 /nfs/dbraw/zinc/36/58/79/491365879.db2.gz FZXVTQIFIYOGPQ-OIISXLGYSA-N 1 3 359.474 0.460 20 0 FCADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565255356 491366686 /nfs/dbraw/zinc/36/66/86/491366686.db2.gz RRZGZGMFZMQXHO-IRXDYDNUSA-N 1 3 359.474 0.592 20 0 FCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565255356 491366688 /nfs/dbraw/zinc/36/66/88/491366688.db2.gz RRZGZGMFZMQXHO-IRXDYDNUSA-N 1 3 359.474 0.592 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000519438145 490972357 /nfs/dbraw/zinc/97/23/57/490972357.db2.gz LZBZMSOEINBSEQ-KRWDZBQOSA-N 1 3 368.522 0.404 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000572424564 491369742 /nfs/dbraw/zinc/36/97/42/491369742.db2.gz KSODZKLRPFNRNY-UHFFFAOYSA-N 1 3 362.474 0.067 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673512460 493337857 /nfs/dbraw/zinc/33/78/57/493337857.db2.gz GMHPGHBFEWRTOU-WOJBJXKFSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512460 493337858 /nfs/dbraw/zinc/33/78/58/493337858.db2.gz GMHPGHBFEWRTOU-WOJBJXKFSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673512460 493337859 /nfs/dbraw/zinc/33/78/59/493337859.db2.gz GMHPGHBFEWRTOU-WOJBJXKFSA-N 1 3 372.513 0.866 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(=O)N(CCOC)C3)CC2)CC1 ZINC000565492430 491380522 /nfs/dbraw/zinc/38/05/22/491380522.db2.gz LCBRIIOLUMFXEX-UHFFFAOYSA-N 1 3 366.506 0.457 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565199 491383739 /nfs/dbraw/zinc/38/37/39/491383739.db2.gz XEOQMTIENWIZDC-GDBMZVCRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565199 491383740 /nfs/dbraw/zinc/38/37/40/491383740.db2.gz XEOQMTIENWIZDC-GDBMZVCRSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000565549302 491384139 /nfs/dbraw/zinc/38/41/39/491384139.db2.gz LDCARFGCBXZOPF-YESZJQIVSA-N 1 3 359.474 0.113 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845400 491397380 /nfs/dbraw/zinc/39/73/80/491397380.db2.gz QNUPHNFJHIZAIC-BRWVUGGUSA-N 1 3 366.506 0.141 20 0 FCADHO CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](CN)C1 ZINC000565765500 491398026 /nfs/dbraw/zinc/39/80/26/491398026.db2.gz SREJLENGMUXOJL-BRWVUGGUSA-N 1 3 353.511 0.039 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000558007567 491408504 /nfs/dbraw/zinc/40/85/04/491408504.db2.gz VMNSCNPNWMLDAA-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000558007567 491408505 /nfs/dbraw/zinc/40/85/05/491408505.db2.gz VMNSCNPNWMLDAA-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000565998610 491411573 /nfs/dbraw/zinc/41/15/73/491411573.db2.gz BWKHFZPXNRHYCB-UHFFFAOYSA-N 1 3 354.495 0.206 20 0 FCADHO CN1CCC(C[NH2+]C[C@H](O)COc2ccccc2)(N2CCOCC2)CC1 ZINC000566118895 491418790 /nfs/dbraw/zinc/41/87/90/491418790.db2.gz JLQRINLQDOFYQC-SFHVURJKSA-N 1 3 363.502 0.813 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209460 491419561 /nfs/dbraw/zinc/41/95/61/491419561.db2.gz OHVUBKFLHKFVLH-OAGGEKHMSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209460 491419562 /nfs/dbraw/zinc/41/95/62/491419562.db2.gz OHVUBKFLHKFVLH-OAGGEKHMSA-N 1 3 354.495 0.202 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000566179145 491423344 /nfs/dbraw/zinc/42/33/44/491423344.db2.gz OKUUUNUEOPWXRS-SFHVURJKSA-N 1 3 360.502 0.959 20 0 FCADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000566180283 491423401 /nfs/dbraw/zinc/42/34/01/491423401.db2.gz APNZADNHBNSLIO-ZWKOTPCHSA-N 1 3 358.486 0.978 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nc(N(C)C)no3)CC2)CC1 ZINC000566450957 491444574 /nfs/dbraw/zinc/44/45/74/491444574.db2.gz NAFNVSOYODIJKY-UHFFFAOYSA-N 1 3 364.494 0.948 20 0 FCADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000566508775 491449856 /nfs/dbraw/zinc/44/98/56/491449856.db2.gz ZCXDWKPLRVINEC-BRWVUGGUSA-N 1 3 357.458 0.214 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nccs1 ZINC000573879277 491460680 /nfs/dbraw/zinc/46/06/80/491460680.db2.gz SESQTRZRAOEVTH-CYBMUJFWSA-N 1 3 355.508 0.315 20 0 FCADHO COC[C@@]1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000574036603 491470448 /nfs/dbraw/zinc/47/04/48/491470448.db2.gz RWRQHZYBDKOWRI-OAQYLSRUSA-N 1 3 374.529 0.937 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000559414718 491470954 /nfs/dbraw/zinc/47/09/54/491470954.db2.gz DJEWSHMHGAQQPL-UHFFFAOYSA-N 1 3 368.522 0.593 20 0 FCADHO C[N@H+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000574107557 491474972 /nfs/dbraw/zinc/47/49/72/491474972.db2.gz IPLROLIJSKMEGC-HNNXBMFYSA-N 1 3 366.506 0.035 20 0 FCADHO C[N@@H+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000574107557 491474973 /nfs/dbraw/zinc/47/49/73/491474973.db2.gz IPLROLIJSKMEGC-HNNXBMFYSA-N 1 3 366.506 0.035 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000559454426 491475135 /nfs/dbraw/zinc/47/51/35/491475135.db2.gz UNLRCFMQPNVIRM-KRWDZBQOSA-N 1 3 362.474 0.153 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000559563233 491481783 /nfs/dbraw/zinc/48/17/83/491481783.db2.gz HHZHIQGOIUYUGZ-HNNXBMFYSA-N 1 3 350.507 0.990 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000559746807 491495243 /nfs/dbraw/zinc/49/52/43/491495243.db2.gz FPCZROWLLVPZJL-KRWDZBQOSA-N 1 3 350.507 0.779 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466449 491499385 /nfs/dbraw/zinc/49/93/85/491499385.db2.gz GRUQHKHRPXWEDX-QZTJIDSGSA-N 1 3 371.485 0.736 20 0 FCADHO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)C2=O ZINC000574499541 491500547 /nfs/dbraw/zinc/50/05/47/491500547.db2.gz RXQSLNYAQDAGCQ-OAHLLOKOSA-N 1 3 374.485 0.931 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000559863036 491505561 /nfs/dbraw/zinc/50/55/61/491505561.db2.gz NLCIYSKJUMLHQO-SFHVURJKSA-N 1 3 370.563 0.921 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000559868488 491506588 /nfs/dbraw/zinc/50/65/88/491506588.db2.gz YIXZDAZZGVMFEW-SFHVURJKSA-N 1 3 368.547 0.531 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488050 491509377 /nfs/dbraw/zinc/50/93/77/491509377.db2.gz DNCJJRASMHPVFF-BPQIPLTHSA-N 1 3 373.501 0.850 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488050 491509378 /nfs/dbraw/zinc/50/93/78/491509378.db2.gz DNCJJRASMHPVFF-BPQIPLTHSA-N 1 3 373.501 0.850 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000560027504 491516474 /nfs/dbraw/zinc/51/64/74/491516474.db2.gz HLSVQNJPDSFNIF-ZACQAIPSSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000560027504 491516476 /nfs/dbraw/zinc/51/64/76/491516476.db2.gz HLSVQNJPDSFNIF-ZACQAIPSSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668397986 493347871 /nfs/dbraw/zinc/34/78/71/493347871.db2.gz UCVICPRIMJZXJZ-KRWDZBQOSA-N 1 3 366.506 0.348 20 0 FCADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574808882 491521569 /nfs/dbraw/zinc/52/15/69/491521569.db2.gz ICBIZVMLDKRAHW-RTBURBONSA-N 1 3 357.502 0.800 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000567780528 491529309 /nfs/dbraw/zinc/52/93/09/491529309.db2.gz WTKCKIRENVLWDK-KRWDZBQOSA-N 1 3 362.474 0.502 20 0 FCADHO COC[C@@]1(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCC[NH2+]1 ZINC000567872114 491536449 /nfs/dbraw/zinc/53/64/49/491536449.db2.gz HWQVEDBEARSSNF-QAPCUYQASA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568059265 491551144 /nfs/dbraw/zinc/55/11/44/491551144.db2.gz GAIFPZMHYZAZJW-CVEARBPZSA-N 1 3 351.495 0.324 20 0 FCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561148423 491578747 /nfs/dbraw/zinc/57/87/47/491578747.db2.gz YTJBQJJMAKPMPQ-RTBURBONSA-N 1 3 357.502 0.950 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000584496528 491597818 /nfs/dbraw/zinc/59/78/18/491597818.db2.gz HSNFNYJXSYUNMH-HOTGVXAUSA-N 1 3 350.507 0.943 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000584496528 491597821 /nfs/dbraw/zinc/59/78/21/491597821.db2.gz HSNFNYJXSYUNMH-HOTGVXAUSA-N 1 3 350.507 0.943 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCNC(=O)N(C)C)CC2)CC1 ZINC000568999770 491626074 /nfs/dbraw/zinc/62/60/74/491626074.db2.gz FMXIIBIKPQHLJK-UHFFFAOYSA-N 1 3 367.538 0.912 20 0 FCADHO COCCN(C)C[C@@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594369 491627989 /nfs/dbraw/zinc/62/79/89/491627989.db2.gz UONFWZCZYGYZAL-LJQANCHMSA-N 1 3 356.555 0.416 20 0 FCADHO CCN(CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000569049135 491630141 /nfs/dbraw/zinc/63/01/41/491630141.db2.gz YDXYKDCLFMDDNT-IRXDYDNUSA-N 1 3 366.506 0.081 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCCO1 ZINC000577533886 491630252 /nfs/dbraw/zinc/63/02/52/491630252.db2.gz LDBMODIFOSYLSD-QGZVFWFLSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCCO1 ZINC000577533885 491630454 /nfs/dbraw/zinc/63/04/54/491630454.db2.gz LDBMODIFOSYLSD-KRWDZBQOSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562969 491632867 /nfs/dbraw/zinc/63/28/67/491632867.db2.gz YPQHYTMRMSVGBP-PBHICJAKSA-N 1 3 350.507 0.776 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)CCN2C1=O ZINC000569121093 491635529 /nfs/dbraw/zinc/63/55/29/491635529.db2.gz BWKDTRCMSQKNKL-BZSNNMDCSA-N 1 3 367.453 0.793 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(O)CCO[C@@H]3C)CC2)CC1 ZINC000576715791 491638720 /nfs/dbraw/zinc/63/87/20/491638720.db2.gz OQPKEMURSIVDFM-BEFAXECRSA-N 1 3 353.507 0.839 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000577672584 491642119 /nfs/dbraw/zinc/64/21/19/491642119.db2.gz XQKPTHMNPIOANN-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000577672584 491642121 /nfs/dbraw/zinc/64/21/21/491642121.db2.gz XQKPTHMNPIOANN-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000569243364 491645212 /nfs/dbraw/zinc/64/52/12/491645212.db2.gz JMWGGJPUZGQVBZ-UHFFFAOYSA-N 1 3 356.511 0.260 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000578156900 491670998 /nfs/dbraw/zinc/67/09/98/491670998.db2.gz GKWYQRRLEPBHKG-XHSDSOJGSA-N 1 3 368.522 0.258 20 0 FCADHO C[C@H]1CC2(CN1CC(=O)N1CCN(c3cnccn3)CC1)CC[NH2+]CC2 ZINC000578231600 491672786 /nfs/dbraw/zinc/67/27/86/491672786.db2.gz PVULZSOQNMREQL-INIZCTEOSA-N 1 3 358.490 0.589 20 0 FCADHO CSc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000578910410 491687082 /nfs/dbraw/zinc/68/70/82/491687082.db2.gz SLZWBGFXUUOLMP-UHFFFAOYSA-N 1 3 367.519 0.372 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000579178246 491692466 /nfs/dbraw/zinc/69/24/66/491692466.db2.gz APALMOZSGJOHCE-GJZGRUSLSA-N 1 3 352.479 0.113 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461752 491698187 /nfs/dbraw/zinc/69/81/87/491698187.db2.gz PIFKOKIQLTUMIK-HZPDHXFCSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000579715222 491703757 /nfs/dbraw/zinc/70/37/57/491703757.db2.gz UIDDBJDJFPIRFA-OAGGEKHMSA-N 1 3 354.495 0.250 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584778587 491713962 /nfs/dbraw/zinc/71/39/62/491713962.db2.gz PNMOVXBXFFCZSZ-PBHICJAKSA-N 1 3 359.474 0.591 20 0 FCADHO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000580319922 491726137 /nfs/dbraw/zinc/72/61/37/491726137.db2.gz FFONEBLXMBAPMZ-MRXNPFEDSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580414416 491730258 /nfs/dbraw/zinc/73/02/58/491730258.db2.gz SSQMIMDIULFRAF-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CCN(C)CC1 ZINC000580631975 491739371 /nfs/dbraw/zinc/73/93/71/491739371.db2.gz HSGMDPBVZYBYFS-JSGCOSHPSA-N 1 3 363.428 0.772 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882632 491750026 /nfs/dbraw/zinc/75/00/26/491750026.db2.gz GFAJBRMXPCQVMT-KWCYVHTRSA-N 1 3 363.428 0.604 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000581500303 491775286 /nfs/dbraw/zinc/77/52/86/491775286.db2.gz MXOUUOGRAIWUSN-OALUTQOASA-N 1 3 372.513 0.878 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585260 493363897 /nfs/dbraw/zinc/36/38/97/493363897.db2.gz PHEFXHWJJNDHDP-SJORKVTESA-N 1 3 367.538 0.993 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585260 493363899 /nfs/dbraw/zinc/36/38/99/493363899.db2.gz PHEFXHWJJNDHDP-SJORKVTESA-N 1 3 367.538 0.993 20 0 FCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581895891 491789422 /nfs/dbraw/zinc/78/94/22/491789422.db2.gz RXFGDHHDPZPJNZ-XHSDSOJGSA-N 1 3 351.495 0.450 20 0 FCADHO CN1CCN(CCCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000582141619 491800201 /nfs/dbraw/zinc/80/02/01/491800201.db2.gz ZQZJQPIRPNFBDU-MRXNPFEDSA-N 1 3 374.485 0.261 20 0 FCADHO C[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000591586852 491809741 /nfs/dbraw/zinc/80/97/41/491809741.db2.gz PFMWSRGGEPBAND-HOCLYGCPSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000591586852 491809742 /nfs/dbraw/zinc/80/97/42/491809742.db2.gz PFMWSRGGEPBAND-HOCLYGCPSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CN1C1CC1 ZINC000582434711 491812606 /nfs/dbraw/zinc/81/26/06/491812606.db2.gz HSUXFYHEJKINGR-XNJGSVPQSA-N 1 3 354.520 0.281 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476478 491814109 /nfs/dbraw/zinc/81/41/09/491814109.db2.gz ZHQRWHRQINAUFX-YOEHRIQHSA-N 1 3 356.536 0.821 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCOC)CC(=O)OC)CC2)CC1 ZINC000582922037 491832761 /nfs/dbraw/zinc/83/27/61/491832761.db2.gz VBFFMZFKCRKEMB-UHFFFAOYSA-N 1 3 369.506 0.831 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142735 491838850 /nfs/dbraw/zinc/83/88/50/491838850.db2.gz IXHGPKVMRCPRDQ-MJGOQNOKSA-N 1 3 354.458 0.832 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253363 491840844 /nfs/dbraw/zinc/84/08/44/491840844.db2.gz QOZMQHSSSYHGMH-KGLIPLIRSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253363 491840845 /nfs/dbraw/zinc/84/08/45/491840845.db2.gz QOZMQHSSSYHGMH-KGLIPLIRSA-N 1 3 354.495 0.548 20 0 FCADHO C[NH2+]C[C@](C)(O)CN1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000583327465 491842531 /nfs/dbraw/zinc/84/25/31/491842531.db2.gz PDBASOFEGQQACX-IBGZPJMESA-N 1 3 350.507 0.719 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434843 491844747 /nfs/dbraw/zinc/84/47/47/491844747.db2.gz GHNRWGJPFWTTNH-XLIONFOSSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000583476978 491845650 /nfs/dbraw/zinc/84/56/50/491845650.db2.gz BOWSNCOXVHGYLV-HOTGVXAUSA-N 1 3 368.522 0.489 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H]([NH3+])C3)C[C@@H]21 ZINC000583559063 491847475 /nfs/dbraw/zinc/84/74/75/491847475.db2.gz UOWZJPPYZCWRRX-XBVQOTNRSA-N 1 3 360.433 0.241 20 0 FCADHO CS(=O)(=O)C1(C(=O)NC2CCN(CC3CCCC3)CC2)CC[NH2+]CC1 ZINC000584292279 491862390 /nfs/dbraw/zinc/86/23/90/491862390.db2.gz BUXKOUZDVPCYED-UHFFFAOYSA-N 1 3 371.547 0.924 20 0 FCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611839623 491877351 /nfs/dbraw/zinc/87/73/51/491877351.db2.gz VRKAJZIOFBZYEQ-HNNXBMFYSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612593879 491936344 /nfs/dbraw/zinc/93/63/44/491936344.db2.gz GBIXKYJFIFVQFI-INIZCTEOSA-N 1 3 354.495 0.156 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595056 491936906 /nfs/dbraw/zinc/93/69/06/491936906.db2.gz ITAROEVBKUOYPL-KRWDZBQOSA-N 1 3 366.506 0.300 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974020 491960727 /nfs/dbraw/zinc/96/07/27/491960727.db2.gz NNLBASVWTANSOS-GJZGRUSLSA-N 1 3 351.495 0.370 20 0 FCADHO CN(C)[C@H](CNC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccccc1 ZINC000603177179 492016923 /nfs/dbraw/zinc/01/69/23/492016923.db2.gz NBRMBJVQRYPBMU-MRXNPFEDSA-N 1 3 362.503 0.889 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000597226094 492023403 /nfs/dbraw/zinc/02/34/03/492023403.db2.gz QZZDPMPIOPIMCD-DLBZAZTESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000597226094 492023405 /nfs/dbraw/zinc/02/34/05/492023405.db2.gz QZZDPMPIOPIMCD-DLBZAZTESA-N 1 3 365.522 0.855 20 0 FCADHO CC[NH+]1CCN(CCC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000614437070 492029776 /nfs/dbraw/zinc/02/97/76/492029776.db2.gz BXDISYNOBNNZDF-SFHVURJKSA-N 1 3 352.523 0.727 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)NC1CCCCC1 ZINC000607234981 492141594 /nfs/dbraw/zinc/14/15/94/492141594.db2.gz VNMNLATXQMMLNQ-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000607245343 492142121 /nfs/dbraw/zinc/14/21/21/492142121.db2.gz LRVPMBZXNZVMKX-CVEARBPZSA-N 1 3 355.527 0.768 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(=O)N(C)CC3)CC2)CC1 ZINC000619063753 492249388 /nfs/dbraw/zinc/24/93/88/492249388.db2.gz QOLYCUVQLKJRMG-UHFFFAOYSA-N 1 3 350.507 0.873 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627428669 492292205 /nfs/dbraw/zinc/29/22/05/492292205.db2.gz LKFCOTDINPSOGP-AVGNSLFASA-N 1 3 364.412 0.573 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334834 /nfs/dbraw/zinc/33/48/34/492334834.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 1 3 354.417 0.830 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334836 /nfs/dbraw/zinc/33/48/36/492334836.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 1 3 354.417 0.830 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000642094871 492333633 /nfs/dbraw/zinc/33/36/33/492333633.db2.gz IJNBANWHPZVJLA-KZNAEPCWSA-N 1 3 360.502 0.861 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334827 /nfs/dbraw/zinc/33/48/27/492334827.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 1 3 354.417 0.830 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613424 492334831 /nfs/dbraw/zinc/33/48/31/492334831.db2.gz VOOMUNWDOXXNEJ-LBPRGKRZSA-N 1 3 354.417 0.830 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000620931880 492346328 /nfs/dbraw/zinc/34/63/28/492346328.db2.gz SCNWEMBICFCPIM-QGZVFWFLSA-N 1 3 350.507 0.635 20 0 FCADHO CN(CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642302692 492349833 /nfs/dbraw/zinc/34/98/33/492349833.db2.gz VDCNYJPTTJRASR-ROUUACIJSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642495873 492360010 /nfs/dbraw/zinc/36/00/10/492360010.db2.gz ZCHUBKAVBNGFDG-NJAFHUGGSA-N 1 3 358.486 0.834 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642645417 492370267 /nfs/dbraw/zinc/37/02/67/492370267.db2.gz KBSYTBWUJUYBEE-ARFHVFGLSA-N 1 3 354.495 0.332 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642801819 492395925 /nfs/dbraw/zinc/39/59/25/492395925.db2.gz KPAVGCJTSCSSGH-HKUYNNGSSA-N 1 3 370.497 0.978 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642893340 492397644 /nfs/dbraw/zinc/39/76/44/492397644.db2.gz HUKOEJGCXXRYTM-SFHVURJKSA-N 1 3 358.486 0.835 20 0 FCADHO CN(C)[C@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096237 492402340 /nfs/dbraw/zinc/40/23/40/492402340.db2.gz PUBIHJQQQADJNV-CMKODMSKSA-N 1 3 361.486 0.537 20 0 FCADHO CN(C)[C@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096237 492402344 /nfs/dbraw/zinc/40/23/44/492402344.db2.gz PUBIHJQQQADJNV-CMKODMSKSA-N 1 3 361.486 0.537 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000642958605 492406924 /nfs/dbraw/zinc/40/69/24/492406924.db2.gz ZIQXZYGYZWPJHF-BPUTZDHNSA-N 1 3 366.506 0.406 20 0 FCADHO CCC[C@@H](O)[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655148211 492407036 /nfs/dbraw/zinc/40/70/36/492407036.db2.gz ZMQOJCRXOPSWFH-ZWKOTPCHSA-N 1 3 355.523 0.821 20 0 FCADHO CN1CC[NH+](CC2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)CC1 ZINC000648150854 492408924 /nfs/dbraw/zinc/40/89/24/492408924.db2.gz ICMRZVUQLFGVRX-UHFFFAOYSA-N 1 3 356.514 0.969 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979907 492409342 /nfs/dbraw/zinc/40/93/42/492409342.db2.gz OOQRSAQGYPLXKR-ZWKOTPCHSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980019 492410647 /nfs/dbraw/zinc/41/06/47/492410647.db2.gz UUPMIVQZFWQABA-MRXNPFEDSA-N 1 3 364.465 0.974 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983101 492411380 /nfs/dbraw/zinc/41/13/80/492411380.db2.gz GFVFNOOGVIGECN-WMZOPIPTSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983101 492411384 /nfs/dbraw/zinc/41/13/84/492411384.db2.gz GFVFNOOGVIGECN-WMZOPIPTSA-N 1 3 356.470 0.849 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643007699 492413309 /nfs/dbraw/zinc/41/33/09/492413309.db2.gz XSLLWAZJXNNZGS-OKZBNKHCSA-N 1 3 358.486 0.963 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643014621 492414291 /nfs/dbraw/zinc/41/42/91/492414291.db2.gz LYVIAZQJGFFECB-BZUAXINKSA-N 1 3 357.458 0.235 20 0 FCADHO CN1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512572 492462369 /nfs/dbraw/zinc/46/23/69/492462369.db2.gz OAHIQUKEALONEW-QZTJIDSGSA-N 1 3 350.507 0.478 20 0 FCADHO CN1CCN(C[C@@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512572 492462373 /nfs/dbraw/zinc/46/23/73/492462373.db2.gz OAHIQUKEALONEW-QZTJIDSGSA-N 1 3 350.507 0.478 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528230 492464053 /nfs/dbraw/zinc/46/40/53/492464053.db2.gz PMLAGRUEALWXEO-AEFFLSMTSA-N 1 3 369.473 0.968 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528230 492464056 /nfs/dbraw/zinc/46/40/56/492464056.db2.gz PMLAGRUEALWXEO-AEFFLSMTSA-N 1 3 369.473 0.968 20 0 FCADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C[C@@H]21 ZINC000643478977 492475194 /nfs/dbraw/zinc/47/51/94/492475194.db2.gz YBBXFEWEMRNQEL-BHYGNILZSA-N 1 3 357.458 0.316 20 0 FCADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000643478799 492475267 /nfs/dbraw/zinc/47/52/67/492475267.db2.gz GROLVCGIVMUFNL-KRWDZBQOSA-N 1 3 371.485 0.578 20 0 FCADHO NC[C@H](NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1)C(F)(F)F ZINC000655911981 492486310 /nfs/dbraw/zinc/48/63/10/492486310.db2.gz QBGHQANUPLSRGY-NSHDSACASA-N 1 3 353.389 0.153 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643513620 492486402 /nfs/dbraw/zinc/48/64/02/492486402.db2.gz QYJMDCQGHGEYGW-SJORKVTESA-N 1 3 367.538 0.057 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000643531890 492492166 /nfs/dbraw/zinc/49/21/66/492492166.db2.gz SRSJXPYXDWVKOG-QRVBRYPASA-N 1 3 370.497 0.930 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643558637 492498508 /nfs/dbraw/zinc/49/85/08/492498508.db2.gz PAJSCFWGFDIPGB-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643560037 492499024 /nfs/dbraw/zinc/49/90/24/492499024.db2.gz FRVOTMHCEBGYOB-JKSUJKDBSA-N 1 3 364.515 0.849 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CCO1 ZINC000643577751 492499944 /nfs/dbraw/zinc/49/99/44/492499944.db2.gz SRAYRDRNLRAUFW-ZBFHGGJFSA-N 1 3 366.462 0.135 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643586156 492500859 /nfs/dbraw/zinc/50/08/59/492500859.db2.gz YASHMLAAGAFITC-NXHRZFHOSA-N 1 3 358.486 0.915 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649328250 492535118 /nfs/dbraw/zinc/53/51/18/492535118.db2.gz ILKPESKQBFSOKG-ZDUSSCGKSA-N 1 3 350.467 0.432 20 0 FCADHO O=C(NCC1(N2CCCCC2)CCOCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649333732 492536460 /nfs/dbraw/zinc/53/64/60/492536460.db2.gz SUAKJXPZNJKOMH-HNNXBMFYSA-N 1 3 362.478 0.577 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649350651 492544080 /nfs/dbraw/zinc/54/40/80/492544080.db2.gz WLCCZRFEJJLUGK-IBGZPJMESA-N 1 3 360.502 0.676 20 0 FCADHO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)CC[C@@H]1[NH3+] ZINC000649358931 492547463 /nfs/dbraw/zinc/54/74/63/492547463.db2.gz JFDQBBCMBRENHW-NCOADZHNSA-N 1 3 350.507 0.905 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000649365654 492548299 /nfs/dbraw/zinc/54/82/99/492548299.db2.gz IIZWZKYILXKMLE-QBPKDAKJSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000656178656 492561852 /nfs/dbraw/zinc/56/18/52/492561852.db2.gz YXKTZDXYLUMVSB-UHFFFAOYSA-N 1 3 370.519 0.725 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623592830 492570891 /nfs/dbraw/zinc/57/08/91/492570891.db2.gz DBYMKVYYZLQZPV-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623592830 492570894 /nfs/dbraw/zinc/57/08/94/492570894.db2.gz DBYMKVYYZLQZPV-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000636282403 492575423 /nfs/dbraw/zinc/57/54/23/492575423.db2.gz KUDKEAOTRIZODK-UYTYNIKBSA-N 1 3 351.491 0.950 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000636282403 492575429 /nfs/dbraw/zinc/57/54/29/492575429.db2.gz KUDKEAOTRIZODK-UYTYNIKBSA-N 1 3 351.491 0.950 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656353973 492609404 /nfs/dbraw/zinc/60/94/04/492609404.db2.gz ADUFPUJHPWUVBU-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO Nc1nc(N)nc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000623971966 492610565 /nfs/dbraw/zinc/61/05/65/492610565.db2.gz MUDVWALMKJSNSD-NSHDSACASA-N 1 3 353.352 0.824 20 0 FCADHO Nc1nc(N)nc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000623971966 492610569 /nfs/dbraw/zinc/61/05/69/492610569.db2.gz MUDVWALMKJSNSD-NSHDSACASA-N 1 3 353.352 0.824 20 0 FCADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359328 492613532 /nfs/dbraw/zinc/61/35/32/492613532.db2.gz OUEBTLFRKWJBCN-MSOLQXFVSA-N 1 3 371.485 0.863 20 0 FCADHO CN(C)S(=O)(=O)NCCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000656612085 492636423 /nfs/dbraw/zinc/63/64/23/492636423.db2.gz RNBLOTOYXQKPDN-UHFFFAOYSA-N 1 3 370.519 0.647 20 0 FCADHO COC[C@H]1C[C@@H](O)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000650798170 492669190 /nfs/dbraw/zinc/66/91/90/492669190.db2.gz OXGRFSMUVAZZMM-IAGOWNOFSA-N 1 3 354.495 0.336 20 0 FCADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000629799071 492677756 /nfs/dbraw/zinc/67/77/56/492677756.db2.gz DVIFWHWYYMTMJW-KRWDZBQOSA-N 1 3 362.474 0.153 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC000636761179 492685145 /nfs/dbraw/zinc/68/51/45/492685145.db2.gz GERRVTNDLMXSRX-FGTMMUONSA-N 1 3 368.522 0.726 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC000636761179 492685149 /nfs/dbraw/zinc/68/51/49/492685149.db2.gz GERRVTNDLMXSRX-FGTMMUONSA-N 1 3 368.522 0.726 20 0 FCADHO COCCN1CC[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636813989 492701660 /nfs/dbraw/zinc/70/16/60/492701660.db2.gz DKSKLFHROIZGAP-CQSZACIVSA-N 1 3 350.467 0.992 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NCCN3CC[C@H](O)C3)CC2)CC1 ZINC000629917059 492703926 /nfs/dbraw/zinc/70/39/26/492703926.db2.gz KCMZHNQSHWWYET-SFHVURJKSA-N 1 3 352.523 0.366 20 0 FCADHO CN(CC(=O)N1CC2CN(C(=O)C[N@H+](C)C3CCC3)CC2C1)C1CCC1 ZINC000629995633 492712172 /nfs/dbraw/zinc/71/21/72/492712172.db2.gz DZBODUNLNZFMBA-UHFFFAOYSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC2CN(C(=O)C[N@@H+](C)C3CCC3)CC2C1)C1CCC1 ZINC000629995633 492712177 /nfs/dbraw/zinc/71/21/77/492712177.db2.gz DZBODUNLNZFMBA-UHFFFAOYSA-N 1 3 362.518 0.872 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645136011 492872136 /nfs/dbraw/zinc/87/21/36/492872136.db2.gz KJSHCWFLZPMKHG-KSZLIROESA-N 1 3 358.486 0.663 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CCO1 ZINC000637868239 492872617 /nfs/dbraw/zinc/87/26/17/492872617.db2.gz WFVAKIKUUHATTH-WBMJQRKESA-N 1 3 361.446 0.492 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652144694 492886136 /nfs/dbraw/zinc/88/61/36/492886136.db2.gz OQDRNMAHMRHZDV-MRXNPFEDSA-N 1 3 353.511 0.618 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652159165 492889259 /nfs/dbraw/zinc/88/92/59/492889259.db2.gz SMZRTKNLDHWXJR-GVDBMIGSSA-N 1 3 356.511 0.883 20 0 FCADHO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CCN ZINC000652355150 492914821 /nfs/dbraw/zinc/91/48/21/492914821.db2.gz QEAGJTZFWFBZAV-IRXDYDNUSA-N 1 3 360.506 0.965 20 0 FCADHO C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CCN ZINC000652355150 492914824 /nfs/dbraw/zinc/91/48/24/492914824.db2.gz QEAGJTZFWFBZAV-IRXDYDNUSA-N 1 3 360.506 0.965 20 0 FCADHO C[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CC[NH3+] ZINC000652355150 492914825 /nfs/dbraw/zinc/91/48/25/492914825.db2.gz QEAGJTZFWFBZAV-IRXDYDNUSA-N 1 3 360.506 0.965 20 0 FCADHO CCN1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363176 492916262 /nfs/dbraw/zinc/91/62/62/492916262.db2.gz ZNTFFLUYKXQZDZ-CGTJXYLNSA-N 1 3 352.523 0.948 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000652458697 492938995 /nfs/dbraw/zinc/93/89/95/492938995.db2.gz UDQYQMKHENGXKE-QGZVFWFLSA-N 1 3 350.507 0.875 20 0 FCADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000638421573 492946252 /nfs/dbraw/zinc/94/62/52/492946252.db2.gz WZOWXZZVEXYNEA-OAHLLOKOSA-N 1 3 366.458 0.980 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CC1 ZINC000638439017 492947221 /nfs/dbraw/zinc/94/72/21/492947221.db2.gz GKFQMCAIAWBDKR-OAHLLOKOSA-N 1 3 360.506 0.867 20 0 FCADHO CC(C)(O)CN1CCC([NH2+][C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000638596464 492964107 /nfs/dbraw/zinc/96/41/07/492964107.db2.gz KVISRJCJXIAPDH-SFHVURJKSA-N 1 3 354.539 0.218 20 0 FCADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000638596464 492964111 /nfs/dbraw/zinc/96/41/11/492964111.db2.gz KVISRJCJXIAPDH-SFHVURJKSA-N 1 3 354.539 0.218 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000638729010 492973230 /nfs/dbraw/zinc/97/32/30/492973230.db2.gz PHKMPFOHOBZDMN-INIZCTEOSA-N 1 3 354.495 0.189 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652678174 492986681 /nfs/dbraw/zinc/98/66/81/492986681.db2.gz WFOGRGPAQOWAPO-BRWVUGGUSA-N 1 3 368.522 0.579 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684084 492989608 /nfs/dbraw/zinc/98/96/08/492989608.db2.gz FJJOXYNXPZJXKF-ZMSDIMECSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639042915 492993681 /nfs/dbraw/zinc/99/36/81/492993681.db2.gz MOUBYMOPZHNDRY-UHFFFAOYSA-N 1 3 366.510 0.208 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002958 492998891 /nfs/dbraw/zinc/99/88/91/492998891.db2.gz LIIJMLYXPICOHG-GPMSIDNRSA-N 1 3 352.523 0.757 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002958 492998894 /nfs/dbraw/zinc/99/88/94/492998894.db2.gz LIIJMLYXPICOHG-GPMSIDNRSA-N 1 3 352.523 0.757 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652733948 493011438 /nfs/dbraw/zinc/01/14/38/493011438.db2.gz VDPAMBOAJIFWIF-QAETUUGQSA-N 1 3 366.506 0.284 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000626923647 493063441 /nfs/dbraw/zinc/06/34/41/493063441.db2.gz YDXVSCZDFIULAD-WMZOPIPTSA-N 1 3 369.473 0.886 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000653373838 493106495 /nfs/dbraw/zinc/10/64/95/493106495.db2.gz VEYUXACGERNXKK-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000627251319 493117207 /nfs/dbraw/zinc/11/72/07/493117207.db2.gz GFEQADRYCZEVBC-RTBURBONSA-N 1 3 357.502 0.950 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082230 493117190 /nfs/dbraw/zinc/11/71/90/493117190.db2.gz MZDLEALCJLXXKD-BZSNNMDCSA-N 1 3 371.485 0.467 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000640751058 493127698 /nfs/dbraw/zinc/12/76/98/493127698.db2.gz RFRHYVNVENWDSA-GFCCVEGCSA-N 1 3 356.496 1.347 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1=O ZINC000633106575 493128748 /nfs/dbraw/zinc/12/87/48/493128748.db2.gz VLZPFKRIYFZZPZ-BZUAXINKSA-N 1 3 354.495 0.155 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c2)CC1 ZINC000659089291 493148355 /nfs/dbraw/zinc/14/83/55/493148355.db2.gz FCJMOYABPZVXJQ-UHFFFAOYSA-N 1 3 361.490 0.963 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000659114034 493160599 /nfs/dbraw/zinc/16/05/99/493160599.db2.gz RFVRAOZPCLXLPU-OAHLLOKOSA-N 1 3 361.490 0.880 20 0 FCADHO CCC[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000647091727 493161448 /nfs/dbraw/zinc/16/14/48/493161448.db2.gz FEEYVZQSTBJTDV-BZUAXINKSA-N 1 3 351.495 0.463 20 0 FCADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641214250 493181577 /nfs/dbraw/zinc/18/15/77/493181577.db2.gz AYXKDEIDZSNVQM-GOSISDBHSA-N 1 3 355.446 0.475 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)N(C)C1CC1 ZINC000627372322 493184400 /nfs/dbraw/zinc/18/44/00/493184400.db2.gz JYVBAYWFKRJVEZ-MDZLAQPJSA-N 1 3 364.412 0.571 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000627392795 493200457 /nfs/dbraw/zinc/20/04/57/493200457.db2.gz FMLCHWNREGZFDF-CQSZACIVSA-N 1 3 352.479 0.004 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000659548970 493211496 /nfs/dbraw/zinc/21/14/96/493211496.db2.gz JPUHURGGTWNFJT-ZWKOTPCHSA-N 1 3 362.474 0.431 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639957 493223833 /nfs/dbraw/zinc/22/38/33/493223833.db2.gz PTDCSCVQAHWZDM-INIZCTEOSA-N 1 3 367.538 0.119 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000672696282 493234327 /nfs/dbraw/zinc/23/43/27/493234327.db2.gz BKPQZMBEFOIJMT-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@H](C[NH3+])C1 ZINC000659673979 493244546 /nfs/dbraw/zinc/24/45/46/493244546.db2.gz JTUYWYGEPTXAFL-NXHRZFHOSA-N 1 3 360.502 0.861 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CCN([C@H]2CCOC2)CC1 ZINC000666978220 493245730 /nfs/dbraw/zinc/24/57/30/493245730.db2.gz UQQLUOHMTDNCPL-SJORKVTESA-N 1 3 354.495 0.386 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CCN([C@H]2CCOC2)CC1 ZINC000666978220 493245733 /nfs/dbraw/zinc/24/57/33/493245733.db2.gz UQQLUOHMTDNCPL-SJORKVTESA-N 1 3 354.495 0.386 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666992288 493246966 /nfs/dbraw/zinc/24/69/66/493246966.db2.gz VKMZDZNYHBFKRJ-OAHLLOKOSA-N 1 3 355.527 0.768 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659684937 493251681 /nfs/dbraw/zinc/25/16/81/493251681.db2.gz MRYIRIQOWNLFQG-WBVHZDCISA-N 1 3 368.522 0.578 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659685251 493252083 /nfs/dbraw/zinc/25/20/83/493252083.db2.gz PGEMBZOVLGNNFH-UHFFFAOYSA-N 1 3 354.495 0.380 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718566 493270002 /nfs/dbraw/zinc/27/00/02/493270002.db2.gz RGGHYFIEBBDOAV-XJKSGUPXSA-N 1 3 366.506 0.454 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659738029 493279945 /nfs/dbraw/zinc/27/99/45/493279945.db2.gz YARHFAGVVKMMAY-OFQRWUPVSA-N 1 3 352.479 0.084 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000659739081 493280373 /nfs/dbraw/zinc/28/03/73/493280373.db2.gz MXFKCRWVUGNEKR-JLJPHGGASA-N 1 3 362.449 0.679 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739457 493280595 /nfs/dbraw/zinc/28/05/95/493280595.db2.gz USXHPLIXALAZLC-IAGOWNOFSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750518 493286037 /nfs/dbraw/zinc/28/60/37/493286037.db2.gz CLUSSCMWCJUTGV-WBVHZDCISA-N 1 3 361.490 0.619 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000659754153 493286429 /nfs/dbraw/zinc/28/64/29/493286429.db2.gz SRRKYWSBDHCFFD-ZDUSSCGKSA-N 1 3 354.882 0.954 20 0 FCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000667583636 493290914 /nfs/dbraw/zinc/29/09/14/493290914.db2.gz GBHZUUQQSJTNJG-ZFWWWQNUSA-N 1 3 366.437 0.724 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660055084 493320310 /nfs/dbraw/zinc/32/03/10/493320310.db2.gz CEAPBTJQLGOZRM-YESZJQIVSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000673427652 493327413 /nfs/dbraw/zinc/32/74/13/493327413.db2.gz CCLWRANVXGPKHV-SJORKVTESA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000668584453 493379712 /nfs/dbraw/zinc/37/97/12/493379712.db2.gz CULXDOTYPZZEPT-YESZJQIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000668584453 493379715 /nfs/dbraw/zinc/37/97/15/493379715.db2.gz CULXDOTYPZZEPT-YESZJQIVSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585544 493380025 /nfs/dbraw/zinc/38/00/25/493380025.db2.gz PPDZMJIJHARBRY-ZACQAIPSSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585544 493380027 /nfs/dbraw/zinc/38/00/27/493380027.db2.gz PPDZMJIJHARBRY-ZACQAIPSSA-N 1 3 364.490 0.099 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCSC1 ZINC000660824096 493382324 /nfs/dbraw/zinc/38/23/24/493382324.db2.gz JXQMZXOIUQJEGZ-WBVHZDCISA-N 1 3 356.536 0.976 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657369 493392325 /nfs/dbraw/zinc/39/23/25/493392325.db2.gz ONCKGDWOGUDXJE-LJQANCHMSA-N 1 3 372.513 0.972 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657369 493392327 /nfs/dbraw/zinc/39/23/27/493392327.db2.gz ONCKGDWOGUDXJE-LJQANCHMSA-N 1 3 372.513 0.972 20 0 FCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180209 493416123 /nfs/dbraw/zinc/41/61/23/493416123.db2.gz NWBQUBFZAYRXET-OKZBNKHCSA-N 1 3 359.470 0.805 20 0 FCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180209 493416125 /nfs/dbraw/zinc/41/61/25/493416125.db2.gz NWBQUBFZAYRXET-OKZBNKHCSA-N 1 3 359.470 0.805 20 0 FCADHO C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661598072 493449487 /nfs/dbraw/zinc/44/94/87/493449487.db2.gz ODGPNRUCBLKULX-DFBDCSAJSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661598072 493449491 /nfs/dbraw/zinc/44/94/91/493449491.db2.gz ODGPNRUCBLKULX-DFBDCSAJSA-N 1 3 362.518 0.966 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000669273727 493487868 /nfs/dbraw/zinc/48/78/68/493487868.db2.gz GGFBLZWTRBGNCQ-GVDBMIGSSA-N 1 3 366.506 0.081 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CCO1 ZINC000669426355 493502910 /nfs/dbraw/zinc/50/29/10/493502910.db2.gz WKJZNWYFYMBYNV-PBHICJAKSA-N 1 3 350.463 0.885 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296817 493504314 /nfs/dbraw/zinc/50/43/14/493504314.db2.gz NMRZZZPUTHEVDG-QZTJIDSGSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662384711 493511825 /nfs/dbraw/zinc/51/18/25/493511825.db2.gz UMWOJVPZJUWKJM-UHFFFAOYSA-N 1 3 371.489 0.304 20 0 FCADHO Cc1c(C(=O)Nc2ccc(N3CCNCC3)cn2)nnn1[C@H]1CC[NH2+]C1 ZINC000662408603 493513514 /nfs/dbraw/zinc/51/35/14/493513514.db2.gz YJOIECHHUBDZNE-AWEZNQCLSA-N 1 3 356.434 0.178 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662437932 493515179 /nfs/dbraw/zinc/51/51/79/493515179.db2.gz KEBZUJLNKPXVCB-LBPRGKRZSA-N 1 3 350.488 0.711 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662437932 493515183 /nfs/dbraw/zinc/51/51/83/493515183.db2.gz KEBZUJLNKPXVCB-LBPRGKRZSA-N 1 3 350.488 0.711 20 0 FCADHO CN1CCC[C@H](N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)C1 ZINC000662463147 493517874 /nfs/dbraw/zinc/51/78/74/493517874.db2.gz VFRUBMBLCWLPBU-INIZCTEOSA-N 1 3 361.490 0.994 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCNC2 ZINC000662561206 493526328 /nfs/dbraw/zinc/52/63/28/493526328.db2.gz QCMWCKZJLSJQEL-CYBMUJFWSA-N 1 3 362.421 0.960 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662682563 493531439 /nfs/dbraw/zinc/53/14/39/493531439.db2.gz JOEGLNKIIYCGIA-SJORKVTESA-N 1 3 360.458 0.686 20 0 FCADHO CC1(C)NC(=O)CC[C@H]1NCC1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)COC1 ZINC000670101965 493545317 /nfs/dbraw/zinc/54/53/17/493545317.db2.gz HZJDDRQNIAGPFK-ZIAGYGMSSA-N 1 3 366.506 0.297 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662931062 493555985 /nfs/dbraw/zinc/55/59/85/493555985.db2.gz ZVALOZIEFMHPOR-KRWDZBQOSA-N 1 3 350.507 0.779 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607668 493580844 /nfs/dbraw/zinc/58/08/44/493580844.db2.gz BVYZFHSCMATYAZ-RTBURBONSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607668 493580846 /nfs/dbraw/zinc/58/08/46/493580846.db2.gz BVYZFHSCMATYAZ-RTBURBONSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000663424980 493588154 /nfs/dbraw/zinc/58/81/54/493588154.db2.gz MVVMOHOJPCZIQX-UHFFFAOYSA-N 1 3 355.527 0.912 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000670984523 493619524 /nfs/dbraw/zinc/61/95/24/493619524.db2.gz ORDHORHHAMFKPL-MRXNPFEDSA-N 1 3 359.474 0.578 20 0 FCADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[NH+]1CCC(C)CC1 ZINC000663848699 493621317 /nfs/dbraw/zinc/62/13/17/493621317.db2.gz LWAFDWUWBZBMJI-INIZCTEOSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170694 493645018 /nfs/dbraw/zinc/64/50/18/493645018.db2.gz DXHYJMYBGBCZPU-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664502813 493663707 /nfs/dbraw/zinc/66/37/07/493663707.db2.gz LGHZYCGRGQYDTF-WBAXXEDZSA-N 1 3 361.490 0.923 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404577 493666789 /nfs/dbraw/zinc/66/67/89/493666789.db2.gz NUKXQTMBTYXDRE-IAGOWNOFSA-N 1 3 373.501 0.967 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000665458300 493716004 /nfs/dbraw/zinc/71/60/04/493716004.db2.gz CDIWFBLAKUSHFI-SFHVURJKSA-N 1 3 368.522 0.849 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010236 493723903 /nfs/dbraw/zinc/72/39/03/493723903.db2.gz MPARPUBOLJUKLX-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]1[C@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000672012960 493724684 /nfs/dbraw/zinc/72/46/84/493724684.db2.gz DXLPKMWOQUWYIK-UAGQMJEPSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665759162 493733273 /nfs/dbraw/zinc/73/32/73/493733273.db2.gz JFVHGDRIFPXRCM-QGZVFWFLSA-N 1 3 367.538 0.519 20 0 FCADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000681216638 493751145 /nfs/dbraw/zinc/75/11/45/493751145.db2.gz IFQNZCVTBIXCDD-RYQLBKOJSA-N 1 3 367.538 0.515 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000672305815 493752199 /nfs/dbraw/zinc/75/21/99/493752199.db2.gz FCQFXXIHSLVKLC-ROUUACIJSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305726 493752287 /nfs/dbraw/zinc/75/22/87/493752287.db2.gz BEIPGDAEGIJPEU-NVXWUHKLSA-N 1 3 350.507 0.825 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)n1 ZINC000666183887 493761080 /nfs/dbraw/zinc/76/10/80/493761080.db2.gz PTTRCQXWGJKVQN-HNNXBMFYSA-N 1 3 350.467 0.820 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410503273 528122430 /nfs/dbraw/zinc/12/24/30/528122430.db2.gz MJLGXVJWWVDIHH-LJQANCHMSA-N 1 3 368.522 0.357 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410503273 528122435 /nfs/dbraw/zinc/12/24/35/528122435.db2.gz MJLGXVJWWVDIHH-LJQANCHMSA-N 1 3 368.522 0.357 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000411030768 529074228 /nfs/dbraw/zinc/07/42/28/529074228.db2.gz RUGXUDYUTJUGOW-IKGGRYGDSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000411030768 529074231 /nfs/dbraw/zinc/07/42/31/529074231.db2.gz RUGXUDYUTJUGOW-IKGGRYGDSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419421082 535043080 /nfs/dbraw/zinc/04/30/80/535043080.db2.gz KVNBEVLDVJPCKD-GOSISDBHSA-N 1 3 372.513 0.911 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419980266 535067553 /nfs/dbraw/zinc/06/75/53/535067553.db2.gz QQIYEHYTLZPGJF-MRXNPFEDSA-N 1 3 370.444 0.955 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419697105 535073612 /nfs/dbraw/zinc/07/36/12/535073612.db2.gz NUJZRLJMBYUHFS-IKGGRYGDSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419131302 535200925 /nfs/dbraw/zinc/20/09/25/535200925.db2.gz CJAXXIFFFVWXIU-CYBMUJFWSA-N 1 3 352.504 0.930 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000415363488 535204516 /nfs/dbraw/zinc/20/45/16/535204516.db2.gz QLMPPYROSFOCCI-MRXNPFEDSA-N 1 3 373.501 0.963 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423459908 535522831 /nfs/dbraw/zinc/52/28/31/535522831.db2.gz AHEAWPGMEJAJPM-LBPRGKRZSA-N 1 3 352.401 0.669 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419822491 535710514 /nfs/dbraw/zinc/71/05/14/535710514.db2.gz LOMDWFVHSODTAN-IXDOHACOSA-N 1 3 367.538 0.105 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375239 535739883 /nfs/dbraw/zinc/73/98/83/535739883.db2.gz WEHCFNAXOYDTLJ-YYAJDYIMSA-N 1 3 352.523 0.661 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)c2)CC1 ZINC000415300804 535749344 /nfs/dbraw/zinc/74/93/44/535749344.db2.gz PPIIITZWUKNBCZ-INIZCTEOSA-N 1 3 359.474 0.587 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415329487 535750728 /nfs/dbraw/zinc/75/07/28/535750728.db2.gz DHNRMEDZTBGHLS-INIZCTEOSA-N 1 3 373.501 0.883 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419886816 535863351 /nfs/dbraw/zinc/86/33/51/535863351.db2.gz CVPMYKUQBUZQCY-INIZCTEOSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1=O ZINC000424010946 535881781 /nfs/dbraw/zinc/88/17/81/535881781.db2.gz MBUDLNJKOUGTPX-HYVNUMGLSA-N 1 3 362.449 0.489 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1F ZINC000415322407 535906750 /nfs/dbraw/zinc/90/67/50/535906750.db2.gz ZEUJHWIQDNGNBB-ZDUSSCGKSA-N 1 3 352.410 0.573 20 0 FCADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423711246 535972371 /nfs/dbraw/zinc/97/23/71/535972371.db2.gz MASKKULQVDXDSA-MSOLQXFVSA-N 1 3 358.486 0.978 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000423666506 536376669 /nfs/dbraw/zinc/37/66/69/536376669.db2.gz MJAPGXPHTNAZCB-MSOLQXFVSA-N 1 3 358.486 0.917 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000423666506 536376671 /nfs/dbraw/zinc/37/66/71/536376671.db2.gz MJAPGXPHTNAZCB-MSOLQXFVSA-N 1 3 358.486 0.917 20 0 FCADHO COC[C@]1(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360272 536654137 /nfs/dbraw/zinc/65/41/37/536654137.db2.gz QIWMYIKSWQTVEY-MDZRGWNJSA-N 1 3 353.507 0.960 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000419745403 536746585 /nfs/dbraw/zinc/74/65/85/536746585.db2.gz ACJASLYWYKBLPM-KGLIPLIRSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000948412881 674376996 /nfs/dbraw/zinc/37/69/96/674376996.db2.gz CMZKMRCUTDERLO-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC000948412881 674377000 /nfs/dbraw/zinc/37/70/00/674377000.db2.gz CMZKMRCUTDERLO-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO CCOC(=O)[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000594335944 546784843 /nfs/dbraw/zinc/78/48/43/546784843.db2.gz YXLNKDVDLPJLFQ-INIZCTEOSA-N 1 3 355.479 0.223 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 ZINC000332705706 546854413 /nfs/dbraw/zinc/85/44/13/546854413.db2.gz WAOOQZRFBUIALD-KURKYZTESA-N 1 3 353.507 0.837 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574181 547041070 /nfs/dbraw/zinc/04/10/70/547041070.db2.gz LDKBMPWQRSTOEI-KBXCAEBGSA-N 1 3 355.479 0.223 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574181 547041073 /nfs/dbraw/zinc/04/10/73/547041073.db2.gz LDKBMPWQRSTOEI-KBXCAEBGSA-N 1 3 355.479 0.223 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550654457 547093703 /nfs/dbraw/zinc/09/37/03/547093703.db2.gz OTIAERAVOGVLMU-HNNXBMFYSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC[C@H](C)C1 ZINC000550714992 547099664 /nfs/dbraw/zinc/09/96/64/547099664.db2.gz GTNGBUGQEKOKKA-LSDHHAIUSA-N 1 3 350.507 0.966 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@H]1C ZINC000550952358 547117600 /nfs/dbraw/zinc/11/76/00/547117600.db2.gz SALLWYHROGUBMU-HZPDHXFCSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@H]1C ZINC000550952358 547117602 /nfs/dbraw/zinc/11/76/02/547117602.db2.gz SALLWYHROGUBMU-HZPDHXFCSA-N 1 3 356.511 0.402 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000551016674 547119599 /nfs/dbraw/zinc/11/95/99/547119599.db2.gz RXEIFWMOIGYFKS-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210590 547134383 /nfs/dbraw/zinc/13/43/83/547134383.db2.gz GYDQNDFXIFLMAA-CXAGYDPISA-N 1 3 358.552 0.632 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280336 547138918 /nfs/dbraw/zinc/13/89/18/547138918.db2.gz NUVMHUMKSJCSFL-JKSUJKDBSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280336 547138923 /nfs/dbraw/zinc/13/89/23/547138923.db2.gz NUVMHUMKSJCSFL-JKSUJKDBSA-N 1 3 350.507 0.824 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000552634830 547220890 /nfs/dbraw/zinc/22/08/90/547220890.db2.gz OUILUOGNEXADGE-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N(C)C1CC1 ZINC000553037941 547248600 /nfs/dbraw/zinc/24/86/00/547248600.db2.gz MLGIRJBDMDFTPW-HOCLYGCPSA-N 1 3 350.507 0.776 20 0 FCADHO NC(C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(F)(F)F ZINC000663017334 547356724 /nfs/dbraw/zinc/35/67/24/547356724.db2.gz JISJBHCHYMSSNH-GXFFZTMASA-N 1 3 360.384 0.415 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000953978126 674487415 /nfs/dbraw/zinc/48/74/15/674487415.db2.gz DYVJPARMACMWLA-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000953978126 674487416 /nfs/dbraw/zinc/48/74/16/674487416.db2.gz DYVJPARMACMWLA-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO COc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1-c1nnn[n-]1 ZINC000821813290 606426385 /nfs/dbraw/zinc/42/63/85/606426385.db2.gz DLUVPJYMXLKEGA-UHFFFAOYSA-N 1 3 359.478 0.991 20 0 FCADHO COc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1-c1nn[n-]n1 ZINC000821813290 606426387 /nfs/dbraw/zinc/42/63/87/606426387.db2.gz DLUVPJYMXLKEGA-UHFFFAOYSA-N 1 3 359.478 0.991 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000969123548 663139406 /nfs/dbraw/zinc/13/94/06/663139406.db2.gz LPWZASBAUSKRLF-UUAJXVIYSA-N 1 3 350.507 0.869 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000969123548 663139408 /nfs/dbraw/zinc/13/94/08/663139408.db2.gz LPWZASBAUSKRLF-UUAJXVIYSA-N 1 3 350.507 0.869 20 0 FCADHO C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CN1CCN(C)CC1 ZINC000891600573 663417828 /nfs/dbraw/zinc/41/78/28/663417828.db2.gz CRVIVRPTAZKAGO-RDBSUJKOSA-N 1 3 365.444 0.649 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@H]21 ZINC000933847654 663444668 /nfs/dbraw/zinc/44/46/68/663444668.db2.gz RVYPCMJEUHHEBI-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@H]21 ZINC000933847654 663444670 /nfs/dbraw/zinc/44/46/70/663444670.db2.gz RVYPCMJEUHHEBI-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000973334341 664100156 /nfs/dbraw/zinc/10/01/56/664100156.db2.gz CVPDFVLJKXADNF-OVYGPGRDSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000973334341 664100158 /nfs/dbraw/zinc/10/01/58/664100158.db2.gz CVPDFVLJKXADNF-OVYGPGRDSA-N 1 3 350.507 0.822 20 0 FCADHO CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000892925381 664155040 /nfs/dbraw/zinc/15/50/40/664155040.db2.gz QUKBQSWAUFFGGO-HNNXBMFYSA-N 1 3 351.495 0.548 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000974191224 664227509 /nfs/dbraw/zinc/22/75/09/664227509.db2.gz WWTBFERFMUVNKW-ZOFXXKQRSA-N 1 3 350.507 0.964 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000974191224 664227512 /nfs/dbraw/zinc/22/75/12/664227512.db2.gz WWTBFERFMUVNKW-ZOFXXKQRSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000982875615 664932210 /nfs/dbraw/zinc/93/22/10/664932210.db2.gz VFKRICUFQPNBPI-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000982875615 664932212 /nfs/dbraw/zinc/93/22/12/664932212.db2.gz VFKRICUFQPNBPI-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441499 665167366 /nfs/dbraw/zinc/16/73/66/665167366.db2.gz JSTNJGKDMRGGIT-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CC[C@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441499 665167367 /nfs/dbraw/zinc/16/73/67/665167367.db2.gz JSTNJGKDMRGGIT-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000938040039 665312843 /nfs/dbraw/zinc/31/28/43/665312843.db2.gz SIHMQUUUJDIPGU-HRCADAONSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000938040039 665312846 /nfs/dbraw/zinc/31/28/46/665312846.db2.gz SIHMQUUUJDIPGU-HRCADAONSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000989050169 665337710 /nfs/dbraw/zinc/33/77/10/665337710.db2.gz IBTBPMXWFPVEMX-INMHGKMJSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000989050169 665337712 /nfs/dbraw/zinc/33/77/12/665337712.db2.gz IBTBPMXWFPVEMX-INMHGKMJSA-N 1 3 350.507 0.918 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000993821412 666940299 /nfs/dbraw/zinc/94/02/99/666940299.db2.gz VXSULMUNVZYODH-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000993821412 666940302 /nfs/dbraw/zinc/94/03/02/666940302.db2.gz VXSULMUNVZYODH-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO CCOc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)s1 ZINC000997013838 667065363 /nfs/dbraw/zinc/06/53/63/667065363.db2.gz DNKGVHLBAFCAHW-MNOVXSKESA-N 1 3 353.448 0.139 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000761073718 667875475 /nfs/dbraw/zinc/87/54/75/667875475.db2.gz HDRXEKCIWOMZJI-QGZVFWFLSA-N 1 3 352.523 0.774 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000761073718 667875478 /nfs/dbraw/zinc/87/54/78/667875478.db2.gz HDRXEKCIWOMZJI-QGZVFWFLSA-N 1 3 352.523 0.774 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743392973 668047466 /nfs/dbraw/zinc/04/74/66/668047466.db2.gz FMTOHYFLWVCZHQ-OAHLLOKOSA-N 1 3 351.495 0.624 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743392973 668047467 /nfs/dbraw/zinc/04/74/67/668047467.db2.gz FMTOHYFLWVCZHQ-OAHLLOKOSA-N 1 3 351.495 0.624 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775153755 668200302 /nfs/dbraw/zinc/20/03/02/668200302.db2.gz ZEPIEFSQNVAIOE-NSHDSACASA-N 1 3 353.294 0.248 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000793701414 668943084 /nfs/dbraw/zinc/94/30/84/668943084.db2.gz QDZIBTHXHOUCIN-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000822610193 669280887 /nfs/dbraw/zinc/28/08/87/669280887.db2.gz HVAIZQOONFHZKU-KRWDZBQOSA-N 1 3 352.523 0.772 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055371 669356729 /nfs/dbraw/zinc/35/67/29/669356729.db2.gz MVGUAQWHNDCAQV-HOTGVXAUSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055371 669356732 /nfs/dbraw/zinc/35/67/32/669356732.db2.gz MVGUAQWHNDCAQV-HOTGVXAUSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064831 669361159 /nfs/dbraw/zinc/36/11/59/669361159.db2.gz YVCNIWXTPVGSIR-SOUVJXGZSA-N 1 3 354.495 0.058 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000849052365 671316223 /nfs/dbraw/zinc/31/62/23/671316223.db2.gz UZIVAKQEWKQVIY-KFWWJZLASA-N 1 3 359.540 0.693 20 0 FCADHO CS(=O)(=O)NCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849061182 671316548 /nfs/dbraw/zinc/31/65/48/671316548.db2.gz YDMQPUNNAUPLMV-UHFFFAOYSA-N 1 3 353.492 0.314 20 0 FCADHO CN(C)S(=O)(=O)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849085246 671317109 /nfs/dbraw/zinc/31/71/09/671317109.db2.gz JDHZESBSGYBTRG-UHFFFAOYSA-N 1 3 367.519 0.656 20 0 FCADHO C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000849111027 671318290 /nfs/dbraw/zinc/31/82/90/671318290.db2.gz FZMAROIQIZSKFF-CQSZACIVSA-N 1 3 356.515 0.509 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN(C)C(=O)OC)CC2)CC1 ZINC000855943968 671672070 /nfs/dbraw/zinc/67/20/70/671672070.db2.gz KPMYPOAPBNMLJW-UHFFFAOYSA-N 1 3 354.495 0.997 20 0 FCADHO CCN(CC)C(=O)CN1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733096 675964955 /nfs/dbraw/zinc/96/49/55/675964955.db2.gz JQLIACUGTIALHE-HKUYNNGSSA-N 1 3 352.523 0.631 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736769 675965440 /nfs/dbraw/zinc/96/54/40/675965440.db2.gz MIQDYDPVWGQNGQ-KRWDZBQOSA-N 1 3 350.507 0.385 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357547 676017559 /nfs/dbraw/zinc/01/75/59/676017559.db2.gz SEPAMOZRHGWFAR-WCXIOVBPSA-N 1 3 350.507 0.584 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357547 676017560 /nfs/dbraw/zinc/01/75/60/676017560.db2.gz SEPAMOZRHGWFAR-WCXIOVBPSA-N 1 3 350.507 0.584 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000879248125 673107454 /nfs/dbraw/zinc/10/74/54/673107454.db2.gz IWJJGZZHLIGQEV-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC001051623852 676106844 /nfs/dbraw/zinc/10/68/44/676106844.db2.gz JUYHBXCVAZQVMO-QLFBSQMISA-N 1 3 350.467 0.160 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC001051623852 676106846 /nfs/dbraw/zinc/10/68/46/676106846.db2.gz JUYHBXCVAZQVMO-QLFBSQMISA-N 1 3 350.467 0.160 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1CCNCCC12CCC2)C[NH+]1CCCC1 ZINC000884632873 673468161 /nfs/dbraw/zinc/46/81/61/673468161.db2.gz GZQVJZFIDRRFRZ-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000884705748 673475007 /nfs/dbraw/zinc/47/50/07/673475007.db2.gz GTAXFKAXCBMGBT-UONOGXRCSA-N 1 3 354.495 0.548 20 0 FCADHO CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019070147 675420958 /nfs/dbraw/zinc/42/09/58/675420958.db2.gz ASFBBLIUEBKFIV-OAGGEKHMSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019070147 675420960 /nfs/dbraw/zinc/42/09/60/675420960.db2.gz ASFBBLIUEBKFIV-OAGGEKHMSA-N 1 3 350.507 0.728 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000970042938 1168302750 /nfs/dbraw/zinc/30/27/50/1168302750.db2.gz PVJPAVMHBILMOX-QRVBRYPASA-N 1 3 370.497 0.755 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000970042938 1168302754 /nfs/dbraw/zinc/30/27/54/1168302754.db2.gz PVJPAVMHBILMOX-QRVBRYPASA-N 1 3 370.497 0.755 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1)N(C)C ZINC001104348780 1170203188 /nfs/dbraw/zinc/20/31/88/1170203188.db2.gz UGRDYTJYMXZKGI-KBAYOESNSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022038356 1170455560 /nfs/dbraw/zinc/45/55/60/1170455560.db2.gz OFNSGHKHOCIIEI-RYQLBKOJSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)NC[C@H]2CCOC2)C1 ZINC001691370207 1171223071 /nfs/dbraw/zinc/22/30/71/1171223071.db2.gz HUMQBXBEVBBTMC-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO CC1CCN(CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC001022516848 1171353116 /nfs/dbraw/zinc/35/31/16/1171353116.db2.gz ZSYUFQUXWSWCHO-OKZBNKHCSA-N 1 3 362.518 0.729 20 0 FCADHO CC1CCN(CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC001022516848 1171353119 /nfs/dbraw/zinc/35/31/19/1171353119.db2.gz ZSYUFQUXWSWCHO-OKZBNKHCSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022718202 1171807409 /nfs/dbraw/zinc/80/74/09/1171807409.db2.gz SNZVOERKFUGXBP-RYQLBKOJSA-N 1 3 362.518 0.872 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001022846126 1172056298 /nfs/dbraw/zinc/05/62/98/1172056298.db2.gz RBDYGADDTDNOOE-BHYGNILZSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001022846126 1172056305 /nfs/dbraw/zinc/05/63/05/1172056305.db2.gz RBDYGADDTDNOOE-BHYGNILZSA-N 1 3 359.474 0.886 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000897669444 1192840528 /nfs/dbraw/zinc/84/05/28/1192840528.db2.gz UQTBWLGQSOYNQG-WBVHZDCISA-N 1 3 371.485 0.719 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000898129006 1192859128 /nfs/dbraw/zinc/85/91/28/1192859128.db2.gz XLDKRAMZYLXTQH-CVEARBPZSA-N 1 3 359.474 0.719 20 0 FCADHO C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001087231188 1178852179 /nfs/dbraw/zinc/85/21/79/1178852179.db2.gz ISCBMXJJNRNWRP-HLLBOEOZSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000972637857 1180088576 /nfs/dbraw/zinc/08/85/76/1180088576.db2.gz DAHYXQRGJKVPIX-QBPKDAKJSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)CC[N@H+]1C ZINC000972637857 1180088584 /nfs/dbraw/zinc/08/85/84/1180088584.db2.gz DAHYXQRGJKVPIX-QBPKDAKJSA-N 1 3 362.518 0.870 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001691766083 1181485115 /nfs/dbraw/zinc/48/51/15/1181485115.db2.gz LJOVJOZSLKBJPK-KZNAEPCWSA-N 1 3 363.506 0.678 20 0 FCADHO CC[N@@H+]1CCCN(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000892523022 1181728334 /nfs/dbraw/zinc/72/83/34/1181728334.db2.gz ANSOMMWQBAYCTO-UHFFFAOYSA-N 1 3 357.462 0.963 20 0 FCADHO CC[N@H+]1CCCN(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000892523022 1181728341 /nfs/dbraw/zinc/72/83/41/1181728341.db2.gz ANSOMMWQBAYCTO-UHFFFAOYSA-N 1 3 357.462 0.963 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1)[NH+](C)C ZINC001024999613 1181843909 /nfs/dbraw/zinc/84/39/09/1181843909.db2.gz WXEZIIGFXPFPNM-OAGGEKHMSA-N 1 3 368.522 0.135 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001104729384 1182401672 /nfs/dbraw/zinc/40/16/72/1182401672.db2.gz UVSPVRUOKGWNSN-OWCLPIDISA-N 1 3 361.490 0.943 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001104732540 1182406173 /nfs/dbraw/zinc/40/61/73/1182406173.db2.gz XGXUDFIWNVEZOV-IIAWOOMASA-N 1 3 357.462 0.805 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231964 1182929098 /nfs/dbraw/zinc/92/90/98/1182929098.db2.gz STSCGTKTWNZEJP-IJLUTSLNSA-N 1 3 352.401 0.442 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231964 1182929103 /nfs/dbraw/zinc/92/91/03/1182929103.db2.gz STSCGTKTWNZEJP-IJLUTSLNSA-N 1 3 352.401 0.442 20 0 FCADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)cn1 ZINC001104908185 1182990975 /nfs/dbraw/zinc/99/09/75/1182990975.db2.gz MSNWIDYWCXCGIF-NVXWUHKLSA-N 1 3 363.506 0.937 20 0 FCADHO COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064399 1183098265 /nfs/dbraw/zinc/09/82/65/1183098265.db2.gz NEDYDEHAFAVZQO-IAGOWNOFSA-N 1 3 370.538 0.554 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001105067033 1183101091 /nfs/dbraw/zinc/10/10/91/1183101091.db2.gz KAQVIPKQZJHPMD-KURKYZTESA-N 1 3 365.522 0.658 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105066914 1183101272 /nfs/dbraw/zinc/10/12/72/1183101272.db2.gz GFFZKNMZCSVPPO-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@@H+]1C ZINC000975422441 1183855764 /nfs/dbraw/zinc/85/57/64/1183855764.db2.gz HNCJKIABQFBZMM-XLNGHYISSA-N 1 3 359.474 0.742 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@H+]1C ZINC000975422441 1183855766 /nfs/dbraw/zinc/85/57/66/1183855766.db2.gz HNCJKIABQFBZMM-XLNGHYISSA-N 1 3 359.474 0.742 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000975726468 1185617047 /nfs/dbraw/zinc/61/70/47/1185617047.db2.gz LSANTRJQRIRJEX-SZMVWBNQSA-N 1 3 371.485 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)CC[N@@H+]1C ZINC000975736101 1185664813 /nfs/dbraw/zinc/66/48/13/1185664813.db2.gz KVISGQHMHWCPQG-WTTBNOFXSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)CC[N@H+]1C ZINC000975736101 1185664821 /nfs/dbraw/zinc/66/48/21/1185664821.db2.gz KVISGQHMHWCPQG-WTTBNOFXSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112529796 1186093251 /nfs/dbraw/zinc/09/32/51/1186093251.db2.gz PPPAOZBOYHLXCD-LNLFQRSKSA-N 1 3 360.506 0.981 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001112531313 1186214591 /nfs/dbraw/zinc/21/45/91/1186214591.db2.gz QWIOVXFLKCMLKG-DEYYWGMASA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481514281 1186214667 /nfs/dbraw/zinc/21/46/67/1186214667.db2.gz VXQPHFHPZKTAEG-VNHYZAJKSA-N 1 3 367.494 0.080 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481514281 1186214672 /nfs/dbraw/zinc/21/46/72/1186214672.db2.gz VXQPHFHPZKTAEG-VNHYZAJKSA-N 1 3 367.494 0.080 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033760 1188212964 /nfs/dbraw/zinc/21/29/64/1188212964.db2.gz HLACFYDTXWFAIX-PKOBYXMFSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033760 1188212967 /nfs/dbraw/zinc/21/29/67/1188212967.db2.gz HLACFYDTXWFAIX-PKOBYXMFSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)CC[C@@H]3C2)CCC1 ZINC001087992621 1190143656 /nfs/dbraw/zinc/14/36/56/1190143656.db2.gz CNMLXSZPINNELY-IKGGRYGDSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)CC[C@@H]3C2)CCC1 ZINC001087992621 1190143657 /nfs/dbraw/zinc/14/36/57/1190143657.db2.gz CNMLXSZPINNELY-IKGGRYGDSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)CN(C)C1CCC1 ZINC000988190949 1191157952 /nfs/dbraw/zinc/15/79/52/1191157952.db2.gz RIWCZZSDGCSECX-JLSDUUJJSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000897468906 1191202008 /nfs/dbraw/zinc/20/20/08/1191202008.db2.gz BFAVZFCJJLMKQT-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000897468906 1191202010 /nfs/dbraw/zinc/20/20/10/1191202010.db2.gz BFAVZFCJJLMKQT-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000897468905 1191202088 /nfs/dbraw/zinc/20/20/88/1191202088.db2.gz BFAVZFCJJLMKQT-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000897468905 1191202091 /nfs/dbraw/zinc/20/20/91/1191202091.db2.gz BFAVZFCJJLMKQT-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144775 1224142673 /nfs/dbraw/zinc/14/26/73/1224142673.db2.gz SCNBVYQCSBFIKK-GRYCIOLGSA-N 1 3 364.446 0.528 20 0 FCADHO CC(C)OCC[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276778853 1224150840 /nfs/dbraw/zinc/15/08/40/1224150840.db2.gz MAYBKRJZFBRTDK-FQEVSTJZSA-N 1 3 366.550 0.973 20 0 FCADHO CC(C)OCC[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276778853 1224150842 /nfs/dbraw/zinc/15/08/42/1224150842.db2.gz MAYBKRJZFBRTDK-FQEVSTJZSA-N 1 3 366.550 0.973 20 0 FCADHO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c(C)n1 ZINC001218538328 1224170945 /nfs/dbraw/zinc/17/09/45/1224170945.db2.gz SWWUSINIHDRJAS-ZFWWWQNUSA-N 1 3 363.462 0.784 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000551075171 1193831899 /nfs/dbraw/zinc/83/18/99/1193831899.db2.gz SUBSCOMCCXZZKV-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000551075171 1193831900 /nfs/dbraw/zinc/83/19/00/1193831900.db2.gz SUBSCOMCCXZZKV-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105641467 1193844913 /nfs/dbraw/zinc/84/49/13/1193844913.db2.gz BNWBHNABLJAJDX-GTACMHHNSA-N 1 3 368.522 0.168 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105641467 1193844916 /nfs/dbraw/zinc/84/49/16/1193844916.db2.gz BNWBHNABLJAJDX-GTACMHHNSA-N 1 3 368.522 0.168 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000551226996 1193844953 /nfs/dbraw/zinc/84/49/53/1193844953.db2.gz KSTKITPRMBHISG-UHFFFAOYSA-N 1 3 362.474 0.190 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105668645 1193953191 /nfs/dbraw/zinc/95/31/91/1193953191.db2.gz XZSMQCHDSNDAIR-OHDICMOHSA-N 1 3 368.522 0.170 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105668645 1193953193 /nfs/dbraw/zinc/95/31/93/1193953193.db2.gz XZSMQCHDSNDAIR-OHDICMOHSA-N 1 3 368.522 0.170 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188615 1194084629 /nfs/dbraw/zinc/08/46/29/1194084629.db2.gz IZPAQJVZCVOPMF-XLIONFOSSA-N 1 3 374.485 0.119 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188615 1194084632 /nfs/dbraw/zinc/08/46/32/1194084632.db2.gz IZPAQJVZCVOPMF-XLIONFOSSA-N 1 3 374.485 0.119 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000842232044 1194106682 /nfs/dbraw/zinc/10/66/82/1194106682.db2.gz VSBPECYBSRBKPU-SFHVURJKSA-N 1 3 358.486 0.891 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001691626547 1194322390 /nfs/dbraw/zinc/32/23/90/1194322390.db2.gz JEDHXAYXRXMHJK-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@H](O)COC(C)(C)C)C2 ZINC001276798472 1224251272 /nfs/dbraw/zinc/25/12/72/1224251272.db2.gz DKCHPUHECYLLIL-LPHOPBHVSA-N 1 3 371.522 0.275 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC001077133003 1195248345 /nfs/dbraw/zinc/24/83/45/1195248345.db2.gz FAMNMCIHOOFAJY-CEXWTWQISA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC001077133003 1195248349 /nfs/dbraw/zinc/24/83/49/1195248349.db2.gz FAMNMCIHOOFAJY-CEXWTWQISA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219783 1195328526 /nfs/dbraw/zinc/32/85/26/1195328526.db2.gz YCDNPEXASWMIMZ-QZTJIDSGSA-N 1 3 365.518 0.840 20 0 FCADHO C[NH+](C)C[C@H](O)CNC[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347243 1195581916 /nfs/dbraw/zinc/58/19/16/1195581916.db2.gz XKDTVJMBWKRKTO-IEBWSBKVSA-N 1 3 365.474 0.662 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000907005631 1195676391 /nfs/dbraw/zinc/67/63/91/1195676391.db2.gz XEWZMUSEWVPRPA-LJQANCHMSA-N 1 3 360.502 0.015 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000907005631 1195676395 /nfs/dbraw/zinc/67/63/95/1195676395.db2.gz XEWZMUSEWVPRPA-LJQANCHMSA-N 1 3 360.502 0.015 20 0 FCADHO CC1(C)CO[C@H](CN2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1 ZINC001083607449 1195685783 /nfs/dbraw/zinc/68/57/83/1195685783.db2.gz YUYPILWKEOADCP-BBWFWOEESA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)c3ccn4cncc4c3)[C@@H](O)C2)C1 ZINC001083607449 1195685787 /nfs/dbraw/zinc/68/57/87/1195685787.db2.gz YUYPILWKEOADCP-BBWFWOEESA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)c3ccn4cncc4c3)[C@@H](O)C2)C1 ZINC001083607449 1195685793 /nfs/dbraw/zinc/68/57/93/1195685793.db2.gz YUYPILWKEOADCP-BBWFWOEESA-N 1 3 358.442 0.924 20 0 FCADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccnn2CCN(C)C)CC1 ZINC000910876196 1195855358 /nfs/dbraw/zinc/85/53/58/1195855358.db2.gz UTZXOEGHHIKVIP-UHFFFAOYSA-N 1 3 365.522 1.000 20 0 FCADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ccnn2CCN(C)C)CC1 ZINC000910876196 1195855359 /nfs/dbraw/zinc/85/53/59/1195855359.db2.gz UTZXOEGHHIKVIP-UHFFFAOYSA-N 1 3 365.522 1.000 20 0 FCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000911327064 1195934388 /nfs/dbraw/zinc/93/43/88/1195934388.db2.gz ANNKAUOOQFMHNT-QGZVFWFLSA-N 1 3 373.501 0.607 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083668981 1196392321 /nfs/dbraw/zinc/39/23/21/1196392321.db2.gz OMNATYOCVYAFOL-QYZOEREBSA-N 1 3 365.518 0.839 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083668981 1196392329 /nfs/dbraw/zinc/39/23/29/1196392329.db2.gz OMNATYOCVYAFOL-QYZOEREBSA-N 1 3 365.518 0.839 20 0 FCADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001077444110 1196406261 /nfs/dbraw/zinc/40/62/61/1196406261.db2.gz KUQNFDIRYCIXFL-ATZDWAIDSA-N 1 3 361.486 0.602 20 0 FCADHO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000592487153 1196564538 /nfs/dbraw/zinc/56/45/38/1196564538.db2.gz CJVFRODSMNNCAZ-DLBZAZTESA-N 1 3 362.474 0.242 20 0 FCADHO COC(=O)c1ccc(N(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C2CC2)c(N)c1 ZINC001219312887 1224422046 /nfs/dbraw/zinc/42/20/46/1224422046.db2.gz MUQVLVKZQRUZIU-BFUOFWGJSA-N 1 3 358.442 0.750 20 0 FCADHO Nc1c(F)cccc1N(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@H]1CC[C@H](O)CC1 ZINC001219323615 1224427554 /nfs/dbraw/zinc/42/75/54/1224427554.db2.gz PHDYGWHCWGINTD-MGPQQGTHSA-N 1 3 362.449 0.853 20 0 FCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000734667527 1197802320 /nfs/dbraw/zinc/80/23/20/1197802320.db2.gz HGTLRSLTSZGCAU-RCCFBDPRSA-N 1 3 365.522 0.271 20 0 FCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000734667527 1197802322 /nfs/dbraw/zinc/80/23/22/1197802322.db2.gz HGTLRSLTSZGCAU-RCCFBDPRSA-N 1 3 365.522 0.271 20 0 FCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085332558 1197825980 /nfs/dbraw/zinc/82/59/80/1197825980.db2.gz CNSHQIJSOVMVRD-GVDBMIGSSA-N 1 3 366.506 0.204 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1)N(C)C ZINC001106309203 1197861125 /nfs/dbraw/zinc/86/11/25/1197861125.db2.gz PKHBXENKFAHGDC-BPLDGKMQSA-N 1 3 365.478 0.946 20 0 FCADHO CCOC(=O)c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c2c1OCCO2 ZINC001219375514 1224447248 /nfs/dbraw/zinc/44/72/48/1224447248.db2.gz QMKKVNNCCBFOCU-CQSZACIVSA-N 1 3 363.414 0.900 20 0 FCADHO CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453833 1197935489 /nfs/dbraw/zinc/93/54/89/1197935489.db2.gz ZSHIGTSZIUPSRO-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO CC[NH+]1CCC(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)CC1 ZINC001169254105 1199058277 /nfs/dbraw/zinc/05/82/77/1199058277.db2.gz QJQVQDASOGSDIS-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370737 1199132710 /nfs/dbraw/zinc/13/27/10/1199132710.db2.gz ZPJKXVHFAPDCTI-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370737 1199132713 /nfs/dbraw/zinc/13/27/13/1199132713.db2.gz ZPJKXVHFAPDCTI-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CC1CC(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129386054 1200109235 /nfs/dbraw/zinc/10/92/35/1200109235.db2.gz WTSMDJXJIOYTQN-BACDZXNISA-N 1 3 364.494 0.244 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112567704 1200801970 /nfs/dbraw/zinc/80/19/70/1200801970.db2.gz DCXASCXHALLWOE-DEYYWGMASA-N 1 3 367.494 0.130 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112586269 1200822815 /nfs/dbraw/zinc/82/28/15/1200822815.db2.gz QMRKZMQIFCTJDQ-DEYYWGMASA-N 1 3 367.494 0.128 20 0 FCADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787510023 1200886982 /nfs/dbraw/zinc/88/69/82/1200886982.db2.gz XFIDICVXJMWCAT-AWEZNQCLSA-N 1 3 362.478 0.689 20 0 FCADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000788460784 1200962141 /nfs/dbraw/zinc/96/21/41/1200962141.db2.gz PZJJKIHRBQMURI-ZWKOTPCHSA-N 1 3 374.485 0.344 20 0 FCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837943 1224647578 /nfs/dbraw/zinc/64/75/78/1224647578.db2.gz NACFVPFULFDUSM-MOXGXCLJSA-N 1 3 359.470 0.602 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CCCCC1 ZINC000793703315 1201259516 /nfs/dbraw/zinc/25/95/16/1201259516.db2.gz UMTGXFCPONKLFV-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CCCCC1 ZINC000793703315 1201259526 /nfs/dbraw/zinc/25/95/26/1201259526.db2.gz UMTGXFCPONKLFV-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000793707986 1201261014 /nfs/dbraw/zinc/26/10/14/1201261014.db2.gz HIQWIJXUFSKHFW-MRXNPFEDSA-N 1 3 359.474 0.721 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892404 1201416388 /nfs/dbraw/zinc/41/63/88/1201416388.db2.gz VIOZZDLCMNJQRC-IXDOHACOSA-N 1 3 364.494 0.385 20 0 FCADHO CC[C@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1)OC ZINC001129918812 1201440671 /nfs/dbraw/zinc/44/06/71/1201440671.db2.gz KAWXMAOIFZIPKF-OAGGEKHMSA-N 1 3 366.510 0.775 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014631 1201471911 /nfs/dbraw/zinc/47/19/11/1201471911.db2.gz WMPAECZUDRYYNJ-XHSDSOJGSA-N 1 3 366.510 0.632 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122950 1201511496 /nfs/dbraw/zinc/51/14/96/1201511496.db2.gz CXEMWRYCIXVTSV-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122950 1201511503 /nfs/dbraw/zinc/51/15/03/1201511503.db2.gz CXEMWRYCIXVTSV-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130232740 1201558370 /nfs/dbraw/zinc/55/83/70/1201558370.db2.gz QELZPHJXWDVZQT-OFQRWUPVSA-N 1 3 366.510 0.878 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC001219925807 1224684568 /nfs/dbraw/zinc/68/45/68/1224684568.db2.gz WVNGXDAGWSCHNH-IKGGRYGDSA-N 1 3 374.485 0.554 20 0 FCADHO CC1(C)OCc2cc(C[C@H](N)C(=O)n3cnc(C[NH3+])cc3=N)ccc2O1 ZINC001220020607 1224729912 /nfs/dbraw/zinc/72/99/12/1224729912.db2.gz OZPOBKWDWABFQQ-AWEZNQCLSA-N 1 3 357.414 0.677 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003325 1202840831 /nfs/dbraw/zinc/84/08/31/1202840831.db2.gz DBFPFUABVWJVCQ-BZUAXINKSA-N 1 3 369.485 0.630 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131064832 1202858048 /nfs/dbraw/zinc/85/80/48/1202858048.db2.gz VOWIPRALWADAAE-JFIYKMOQSA-N 1 3 365.522 0.927 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131130536 1202868953 /nfs/dbraw/zinc/86/89/53/1202868953.db2.gz RKVTVIFWAYMYTM-BRWVUGGUSA-N 1 3 365.522 0.805 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131132987 1202870030 /nfs/dbraw/zinc/87/00/30/1202870030.db2.gz WKGGLMGCKLFXIN-ZACQAIPSSA-N 1 3 363.506 0.825 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564731 1202915050 /nfs/dbraw/zinc/91/50/50/1202915050.db2.gz SFLYUDKTAJOKIG-APWZRJJASA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1)C(N)=O ZINC001131582829 1202918201 /nfs/dbraw/zinc/91/82/01/1202918201.db2.gz BPOILOYJSCTAMS-JZXOWHBKSA-N 1 3 368.522 0.578 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131609047 1202920568 /nfs/dbraw/zinc/92/05/68/1202920568.db2.gz XSHZSECPUGSBGM-LMMKCTJWSA-N 1 3 371.522 0.320 20 0 FCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126472 1203015516 /nfs/dbraw/zinc/01/55/16/1203015516.db2.gz SZXHEUMVHXJGAX-MSOLQXFVSA-N 1 3 360.502 0.810 20 0 FCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126472 1203015518 /nfs/dbraw/zinc/01/55/18/1203015518.db2.gz SZXHEUMVHXJGAX-MSOLQXFVSA-N 1 3 360.502 0.810 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000817926253 1203126758 /nfs/dbraw/zinc/12/67/58/1203126758.db2.gz CDBDBAZAHDUGFN-UHFFFAOYSA-N 1 3 360.502 0.959 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[C@H]1[NH3+] ZINC000817926552 1203126764 /nfs/dbraw/zinc/12/67/64/1203126764.db2.gz MXXWPBWAHPOBIA-FUHWJXTLSA-N 1 3 360.502 0.815 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]C[C@H](C)O)cc1 ZINC001090881274 1203328980 /nfs/dbraw/zinc/32/89/80/1203328980.db2.gz DBJWFGCYVWGDBP-DOPJRALCSA-N 1 3 358.442 0.926 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2cccnn2)CC1 ZINC001220209838 1224803955 /nfs/dbraw/zinc/80/39/55/1224803955.db2.gz GXFLRLDBHABQKW-KBPBESRZSA-N 1 3 360.462 0.029 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)CCC1 ZINC001091735526 1204836060 /nfs/dbraw/zinc/83/60/60/1204836060.db2.gz TWMCRSCTIKCLHO-GJYPPUQNSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@@]3(C)C2)CCC1 ZINC001091735526 1204836063 /nfs/dbraw/zinc/83/60/63/1204836063.db2.gz TWMCRSCTIKCLHO-GJYPPUQNSA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734915 1204836088 /nfs/dbraw/zinc/83/60/88/1204836088.db2.gz ALAVANGJCKJIGJ-MDZRGWNJSA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734915 1204836089 /nfs/dbraw/zinc/83/60/89/1204836089.db2.gz ALAVANGJCKJIGJ-MDZRGWNJSA-N 1 3 362.518 0.872 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)c1ccc(NC(N)=[NH2+])cc1)CC2 ZINC001148647526 1204837350 /nfs/dbraw/zinc/83/73/50/1204837350.db2.gz NFKDBIHRVVKKRB-UHFFFAOYSA-N 1 3 372.473 0.809 20 0 FCADHO COc1cncc(CN[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001086854644 1204852846 /nfs/dbraw/zinc/85/28/46/1204852846.db2.gz IXBQYZWCLQFAEG-LSDHHAIUSA-N 1 3 359.474 0.956 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2NCc2cncn2C)cn1 ZINC001087009442 1204896958 /nfs/dbraw/zinc/89/69/58/1204896958.db2.gz GNOASJVQBJXUJZ-JCGIZDLHSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cncn2C)cn1 ZINC001087009442 1204896961 /nfs/dbraw/zinc/89/69/61/1204896961.db2.gz GNOASJVQBJXUJZ-JCGIZDLHSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2NCc2cccnc2)cn1 ZINC001087009800 1204897417 /nfs/dbraw/zinc/89/74/17/1204897417.db2.gz YXFNWIBMITYJPK-NZSAHSFTSA-N 1 3 368.485 0.851 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cccnc2)cn1 ZINC001087009800 1204897418 /nfs/dbraw/zinc/89/74/18/1204897418.db2.gz YXFNWIBMITYJPK-NZSAHSFTSA-N 1 3 368.485 0.851 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083351 1204970489 /nfs/dbraw/zinc/97/04/89/1204970489.db2.gz AOIZNNBOIUDDDD-ZMSDIMECSA-N 1 3 364.494 0.253 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083565 1204970504 /nfs/dbraw/zinc/97/05/04/1204970504.db2.gz KVHLMUUWBCNVLF-LZLYRXPVSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnc(C)cn1 ZINC001087100731 1204998863 /nfs/dbraw/zinc/99/88/63/1204998863.db2.gz BBWBMZBRQLAAMV-JFIYKMOQSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnc(C)cn1 ZINC001087100731 1204998875 /nfs/dbraw/zinc/99/88/75/1204998875.db2.gz BBWBMZBRQLAAMV-JFIYKMOQSA-N 1 3 361.490 0.690 20 0 FCADHO CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015792 1205114681 /nfs/dbraw/zinc/11/46/81/1205114681.db2.gz WEDGKORQIKXXBA-QINHECLXSA-N 1 3 362.518 0.729 20 0 FCADHO CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015792 1205114686 /nfs/dbraw/zinc/11/46/86/1205114686.db2.gz WEDGKORQIKXXBA-QINHECLXSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092050331 1205125740 /nfs/dbraw/zinc/12/57/40/1205125740.db2.gz RBSCJWXOBHLVNY-XUWXXGDYSA-N 1 3 355.446 0.512 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092050331 1205125742 /nfs/dbraw/zinc/12/57/42/1205125742.db2.gz RBSCJWXOBHLVNY-XUWXXGDYSA-N 1 3 355.446 0.512 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C1CCCCC1 ZINC001220467188 1224882019 /nfs/dbraw/zinc/88/20/19/1224882019.db2.gz PEMPHWLPSDKWMW-ULQDDVLXSA-N 1 3 368.522 0.491 20 0 FCADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773706 1205354164 /nfs/dbraw/zinc/35/41/64/1205354164.db2.gz QUFGTRBWXTWEAP-OWCLPIDISA-N 1 3 362.518 0.966 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@]2(N)CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC001220523358 1224904423 /nfs/dbraw/zinc/90/44/23/1224904423.db2.gz OFSLFWPPERGDJT-LJQANCHMSA-N 1 3 361.417 0.939 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@]2(N)CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC001220523357 1224905315 /nfs/dbraw/zinc/90/53/15/1224905315.db2.gz OFSLFWPPERGDJT-IBGZPJMESA-N 1 3 361.417 0.939 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CNCc1ncnn1CCF ZINC001094041189 1206173970 /nfs/dbraw/zinc/17/39/70/1206173970.db2.gz ZJIRHOJHVYGFSF-OWCLPIDISA-N 1 3 366.485 0.916 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CNCc1ncnn1CCF ZINC001094041189 1206173972 /nfs/dbraw/zinc/17/39/72/1206173972.db2.gz ZJIRHOJHVYGFSF-OWCLPIDISA-N 1 3 366.485 0.916 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001094074975 1206179571 /nfs/dbraw/zinc/17/95/71/1206179571.db2.gz RFOVERQTXCNRQF-CKEIUWERSA-N 1 3 359.474 0.790 20 0 FCADHO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@H]2C)o1 ZINC001094224663 1206211377 /nfs/dbraw/zinc/21/13/77/1206211377.db2.gz WXBYYHJPVMGPAY-IIAWOOMASA-N 1 3 365.478 0.530 20 0 FCADHO O=C(NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001094474302 1206233430 /nfs/dbraw/zinc/23/34/30/1206233430.db2.gz UFVIBQIUDLEKMY-KCZRXQPDSA-N 1 3 363.502 0.593 20 0 FCADHO O=C(NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001094474302 1206233434 /nfs/dbraw/zinc/23/34/34/1206233434.db2.gz UFVIBQIUDLEKMY-KCZRXQPDSA-N 1 3 363.502 0.593 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731142 1206363649 /nfs/dbraw/zinc/36/36/49/1206363649.db2.gz MEVBQZIFLHNCTD-BARDWOONSA-N 1 3 367.494 0.141 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731142 1206363651 /nfs/dbraw/zinc/36/36/51/1206363651.db2.gz MEVBQZIFLHNCTD-BARDWOONSA-N 1 3 367.494 0.141 20 0 FCADHO CC1(C)CC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496219 1206438003 /nfs/dbraw/zinc/43/80/03/1206438003.db2.gz ZVLVHDQSYJZCHT-HUUCEWRRSA-N 1 3 366.506 0.391 20 0 FCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784048 1206485312 /nfs/dbraw/zinc/48/53/12/1206485312.db2.gz PRWAFRRJIGDUGY-KURKYZTESA-N 1 3 358.486 0.611 20 0 FCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784048 1206485314 /nfs/dbraw/zinc/48/53/14/1206485314.db2.gz PRWAFRRJIGDUGY-KURKYZTESA-N 1 3 358.486 0.611 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220643213 1224982909 /nfs/dbraw/zinc/98/29/09/1224982909.db2.gz VNXQVYQOBLEVAJ-NXHRZFHOSA-N 1 3 369.506 0.075 20 0 FCADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CNCc2ccnn2C1 ZINC001220648981 1224988911 /nfs/dbraw/zinc/98/89/11/1224988911.db2.gz PQVYILPLBDKTOM-MRXNPFEDSA-N 1 3 354.458 0.329 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001188970064 1207492619 /nfs/dbraw/zinc/49/26/19/1207492619.db2.gz FQJXECNUBDVBGA-HRCADAONSA-N 1 3 358.490 0.640 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159591 1207514237 /nfs/dbraw/zinc/51/42/37/1207514237.db2.gz AWQOIZDMDBAHHX-SOUVJXGZSA-N 1 3 364.490 0.302 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159591 1207514243 /nfs/dbraw/zinc/51/42/43/1207514243.db2.gz AWQOIZDMDBAHHX-SOUVJXGZSA-N 1 3 364.490 0.302 20 0 FCADHO C[C@H](COCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001189182457 1207515697 /nfs/dbraw/zinc/51/56/97/1207515697.db2.gz VESLTFPLEFRIKE-FGTMMUONSA-N 1 3 369.506 0.029 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786207 1207600937 /nfs/dbraw/zinc/60/09/37/1207600937.db2.gz APGURXCAHZOLRG-FGTMMUONSA-N 1 3 366.506 0.014 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786207 1207600942 /nfs/dbraw/zinc/60/09/42/1207600942.db2.gz APGURXCAHZOLRG-FGTMMUONSA-N 1 3 366.506 0.014 20 0 FCADHO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)c1 ZINC001190318691 1207675201 /nfs/dbraw/zinc/67/52/01/1207675201.db2.gz SAQAOKQVGOCYGZ-RBUKOAKNSA-N 1 3 361.486 0.903 20 0 FCADHO CN1CCC([NH+]2CCC(N3C(=O)N[C@@H](Cc4cnc[nH]4)C3=O)CC2)CC1 ZINC000348428857 1207762632 /nfs/dbraw/zinc/76/26/32/1207762632.db2.gz VDWGKGUKSIFAQG-INIZCTEOSA-N 1 3 360.462 0.431 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC/C=C\c2ccccc2)C[C@H]1O ZINC001197826442 1208202032 /nfs/dbraw/zinc/20/20/32/1208202032.db2.gz XGEMIXSGMWVTGO-NFTRUMFPSA-N 1 3 361.486 0.829 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C34CCCN3CCC4)C[C@@]2(F)C1=O ZINC001273871296 1208441344 /nfs/dbraw/zinc/44/13/44/1208441344.db2.gz YQGSAYSQQJGIIK-QZTJIDSGSA-N 1 3 370.444 0.277 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279169 1208756368 /nfs/dbraw/zinc/75/63/68/1208756368.db2.gz JMXKJFLDESHGMC-GVDBMIGSSA-N 1 3 364.534 0.975 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279169 1208756370 /nfs/dbraw/zinc/75/63/70/1208756370.db2.gz JMXKJFLDESHGMC-GVDBMIGSSA-N 1 3 364.534 0.975 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1OC ZINC001489545964 1208908588 /nfs/dbraw/zinc/90/85/88/1208908588.db2.gz LOXYHBQDQBDZPU-BFYDXBDKSA-N 1 3 356.511 0.256 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1OC ZINC001489545964 1208908591 /nfs/dbraw/zinc/90/85/91/1208908591.db2.gz LOXYHBQDQBDZPU-BFYDXBDKSA-N 1 3 356.511 0.256 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCO[C@H]1CCCCO1 ZINC001220862331 1225113530 /nfs/dbraw/zinc/11/35/30/1225113530.db2.gz XLRCNPDTALEOIY-JYJNAYRXSA-N 1 3 370.494 0.093 20 0 FCADHO CC1(C)C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001220953134 1225155958 /nfs/dbraw/zinc/15/59/58/1225155958.db2.gz MFYYAAAXXICGNS-PMPSAXMXSA-N 1 3 368.522 0.755 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857244631 1209747734 /nfs/dbraw/zinc/74/77/34/1209747734.db2.gz IYZQAIWVJIBEBV-WIYYLYMNSA-N 1 3 372.513 0.959 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000861538581 1209870211 /nfs/dbraw/zinc/87/02/11/1209870211.db2.gz DCZDYHRXEJODIF-OAHLLOKOSA-N 1 3 361.490 0.881 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975940 1225169113 /nfs/dbraw/zinc/16/91/13/1225169113.db2.gz BRQZGVNVXUZSPC-OTWHNJEPSA-N 1 3 361.486 0.706 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975940 1225169116 /nfs/dbraw/zinc/16/91/16/1225169116.db2.gz BRQZGVNVXUZSPC-OTWHNJEPSA-N 1 3 361.486 0.706 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(F)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CN1C1CC1 ZINC000866458285 1209996905 /nfs/dbraw/zinc/99/69/05/1209996905.db2.gz ZXUKTGURHNFPPY-MQYQWHSLSA-N 1 3 366.481 0.807 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(F)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CN1C1CC1 ZINC000866458285 1209996908 /nfs/dbraw/zinc/99/69/08/1209996908.db2.gz ZXUKTGURHNFPPY-MQYQWHSLSA-N 1 3 366.481 0.807 20 0 FCADHO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001221004944 1225182003 /nfs/dbraw/zinc/18/20/03/1225182003.db2.gz SVDXSJPAPQTHAN-BRWVUGGUSA-N 1 3 359.474 0.011 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000868287446 1210049992 /nfs/dbraw/zinc/04/99/92/1210049992.db2.gz YVYNDACMKGJCJA-LSDHHAIUSA-N 1 3 359.474 0.715 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1)N(C)C ZINC000871461178 1210156288 /nfs/dbraw/zinc/15/62/88/1210156288.db2.gz GVFZFWXYYBDTNP-GVDBMIGSSA-N 1 3 370.538 0.502 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)ccc1N(C)C ZINC000873822739 1210262109 /nfs/dbraw/zinc/26/21/09/1210262109.db2.gz HGZHHRHZWLNIKY-UHFFFAOYSA-N 1 3 367.469 0.782 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2nccnc21 ZINC000873822878 1210262551 /nfs/dbraw/zinc/26/25/51/1210262551.db2.gz KWZIFMFCACUTDQ-UHFFFAOYSA-N 1 3 358.446 0.520 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780078 1210428763 /nfs/dbraw/zinc/42/87/63/1210428763.db2.gz CLJFDDSYADQAER-IAGOWNOFSA-N 1 3 362.522 0.872 20 0 FCADHO CN1CC[NH+](C2CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879596660 1210490648 /nfs/dbraw/zinc/49/06/48/1210490648.db2.gz PNGIYHJKIRYDCQ-KRWDZBQOSA-N 1 3 370.538 0.974 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC)ccn1 ZINC000882487266 1210623406 /nfs/dbraw/zinc/62/34/06/1210623406.db2.gz UFOIIZZFMQCELV-HOTGVXAUSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2CC)ccn1 ZINC000882487266 1210623409 /nfs/dbraw/zinc/62/34/09/1210623409.db2.gz UFOIIZZFMQCELV-HOTGVXAUSA-N 1 3 359.474 0.730 20 0 FCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001221113873 1225227194 /nfs/dbraw/zinc/22/71/94/1225227194.db2.gz DZMHCVUIJYCMSK-OXQOHEQNSA-N 1 3 358.486 0.978 20 0 FCADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883359341 1210663183 /nfs/dbraw/zinc/66/31/83/1210663183.db2.gz DPGICXGQANPZBN-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883359341 1210663187 /nfs/dbraw/zinc/66/31/87/1210663187.db2.gz DPGICXGQANPZBN-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884311837 1210728894 /nfs/dbraw/zinc/72/88/94/1210728894.db2.gz NUFUJKFIOXXVGV-UHFFFAOYSA-N 1 3 360.506 0.201 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000884496054 1210739011 /nfs/dbraw/zinc/73/90/11/1210739011.db2.gz LDSVTDWOMBSXIN-BPQIPLTHSA-N 1 3 374.485 0.342 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884618174 1210763921 /nfs/dbraw/zinc/76/39/21/1210763921.db2.gz YCNUSNRCJJCXPF-KRWDZBQOSA-N 1 3 358.486 0.939 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1=CC[N@H+](C)CC1 ZINC000884623356 1210764298 /nfs/dbraw/zinc/76/42/98/1210764298.db2.gz ANUUQTSZSOTSDH-KBXCAEBGSA-N 1 3 356.470 0.584 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1=CC[N@@H+](C)CC1 ZINC000884623356 1210764306 /nfs/dbraw/zinc/76/43/06/1210764306.db2.gz ANUUQTSZSOTSDH-KBXCAEBGSA-N 1 3 356.470 0.584 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884656318 1210773664 /nfs/dbraw/zinc/77/36/64/1210773664.db2.gz BVUCGSHEULWADD-SHTZXODSSA-N 1 3 368.522 0.626 20 0 FCADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884677900 1210777997 /nfs/dbraw/zinc/77/79/97/1210777997.db2.gz JADGBPPFKUDMMA-QZTJIDSGSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000884779478 1210793955 /nfs/dbraw/zinc/79/39/55/1210793955.db2.gz YHFYRLPNCDSTJX-PBHICJAKSA-N 1 3 359.474 0.358 20 0 FCADHO O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000884847721 1210801124 /nfs/dbraw/zinc/80/11/24/1210801124.db2.gz IRTVWPXVSBXZDK-QGZVFWFLSA-N 1 3 356.470 0.645 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007140 1210807715 /nfs/dbraw/zinc/80/77/15/1210807715.db2.gz FZLWVORISHAHKG-YVSFHVDLSA-N 1 3 366.506 0.202 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138045 1210811777 /nfs/dbraw/zinc/81/17/77/1210811777.db2.gz ONNVMCOERNVFOW-MRXNPFEDSA-N 1 3 366.506 0.206 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885152563 1210813081 /nfs/dbraw/zinc/81/30/81/1210813081.db2.gz QYIVMXMVWZFSNF-IRXDYDNUSA-N 1 3 358.486 0.806 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885152563 1210813083 /nfs/dbraw/zinc/81/30/83/1210813083.db2.gz QYIVMXMVWZFSNF-IRXDYDNUSA-N 1 3 358.486 0.806 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[N@@H+]1C ZINC000885156131 1210813327 /nfs/dbraw/zinc/81/33/27/1210813327.db2.gz MPMCMDPOJZDOIQ-FHLIZLRMSA-N 1 3 358.486 0.758 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[N@H+]1C ZINC000885156131 1210813330 /nfs/dbraw/zinc/81/33/30/1210813330.db2.gz MPMCMDPOJZDOIQ-FHLIZLRMSA-N 1 3 358.486 0.758 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000885156028 1210813402 /nfs/dbraw/zinc/81/34/02/1210813402.db2.gz JHMZDWSHNCUABA-MOPGFXCFSA-N 1 3 370.497 0.904 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885157302 1210813687 /nfs/dbraw/zinc/81/36/87/1210813687.db2.gz KOUSQKCSYSCAMP-QZTJIDSGSA-N 1 3 358.486 0.760 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCCN1C(=O)NC(C)(C)C1=O ZINC001691720312 1210843813 /nfs/dbraw/zinc/84/38/13/1210843813.db2.gz XBYWBADCYWTXSS-KGLIPLIRSA-N 1 3 367.494 0.238 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090887 1210878680 /nfs/dbraw/zinc/87/86/80/1210878680.db2.gz LRTDUPUXWQPXTB-OXFYSEKESA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+]1CCC(O)(C(=O)N2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)CC1 ZINC001274202583 1210910474 /nfs/dbraw/zinc/91/04/74/1210910474.db2.gz GOTQIHMLBQMDIP-GOSISDBHSA-N 1 3 361.490 0.681 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221193503 1225263621 /nfs/dbraw/zinc/26/36/21/1225263621.db2.gz AZFWJIVAONRHAY-WFASDCNBSA-N 1 3 373.461 0.021 20 0 FCADHO CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275104666 1211175861 /nfs/dbraw/zinc/17/58/61/1211175861.db2.gz XWPMAZJSDCAPBM-FQEVSTJZSA-N 1 3 366.550 0.975 20 0 FCADHO CCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275104666 1211175864 /nfs/dbraw/zinc/17/58/64/1211175864.db2.gz XWPMAZJSDCAPBM-FQEVSTJZSA-N 1 3 366.550 0.975 20 0 FCADHO Nc1ccncc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001275455382 1211241710 /nfs/dbraw/zinc/24/17/10/1211241710.db2.gz JLKOCXLPQACKSO-QZTJIDSGSA-N 1 3 359.474 0.392 20 0 FCADHO Nc1ccncc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001275455382 1211241711 /nfs/dbraw/zinc/24/17/11/1211241711.db2.gz JLKOCXLPQACKSO-QZTJIDSGSA-N 1 3 359.474 0.392 20 0 FCADHO Nc1ccncc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001275455382 1211241712 /nfs/dbraw/zinc/24/17/12/1211241712.db2.gz JLKOCXLPQACKSO-QZTJIDSGSA-N 1 3 359.474 0.392 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803947 1211286852 /nfs/dbraw/zinc/28/68/52/1211286852.db2.gz NXCIHFHXURRZBT-QUCCMNQESA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803947 1211286856 /nfs/dbraw/zinc/28/68/56/1211286856.db2.gz NXCIHFHXURRZBT-QUCCMNQESA-N 1 3 364.534 0.727 20 0 FCADHO CC[C@H](CCC(=O)OC)C[N@@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269710 1211399951 /nfs/dbraw/zinc/39/99/51/1211399951.db2.gz OFUCCMPXVGDGOL-APWZRJJASA-N 1 3 369.506 0.831 20 0 FCADHO CC[C@H](CCC(=O)OC)C[N@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269710 1211399954 /nfs/dbraw/zinc/39/99/54/1211399954.db2.gz OFUCCMPXVGDGOL-APWZRJJASA-N 1 3 369.506 0.831 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925351842 1211497179 /nfs/dbraw/zinc/49/71/79/1211497179.db2.gz YYSZWWXLDKGZKT-ZACQAIPSSA-N 1 3 364.490 0.771 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000927641368 1211578200 /nfs/dbraw/zinc/57/82/00/1211578200.db2.gz WWGAHXNWEQGXDT-KRWDZBQOSA-N 1 3 368.522 0.774 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)CC2)NC1 ZINC001221392439 1225305586 /nfs/dbraw/zinc/30/55/86/1225305586.db2.gz WKHZAXZZJXJBIJ-ROUUACIJSA-N 1 3 373.501 0.298 20 0 FCADHO COC(=O)c1ccc(OC[C@@H](O)CN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931487898 1211757587 /nfs/dbraw/zinc/75/75/87/1211757587.db2.gz KNKHVEVAJZJSFR-INIZCTEOSA-N 1 3 366.458 0.601 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000949960504 1212494660 /nfs/dbraw/zinc/49/46/60/1212494660.db2.gz YRQPGXZUFUEYNA-OIISXLGYSA-N 1 3 362.518 0.918 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001007479533 1212501563 /nfs/dbraw/zinc/50/15/63/1212501563.db2.gz LKBDOEDDZMSTSW-GUXCAODWSA-N 1 3 362.518 0.920 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001007479533 1212501566 /nfs/dbraw/zinc/50/15/66/1212501566.db2.gz LKBDOEDDZMSTSW-GUXCAODWSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824107 1225417652 /nfs/dbraw/zinc/41/76/52/1225417652.db2.gz LQRGBHFUVVUJJY-ICSRJNTNSA-N 1 3 366.550 0.708 20 0 FCADHO CC(C)[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824107 1225417657 /nfs/dbraw/zinc/41/76/57/1225417657.db2.gz LQRGBHFUVVUJJY-ICSRJNTNSA-N 1 3 366.550 0.708 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CCN([C@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC000957552677 1213320907 /nfs/dbraw/zinc/32/09/07/1213320907.db2.gz WIQNQETZDMTRNP-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CCN([C@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC000957552677 1213320910 /nfs/dbraw/zinc/32/09/10/1213320910.db2.gz WIQNQETZDMTRNP-ZACQAIPSSA-N 1 3 362.518 0.920 20 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C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)CC[N@H+]1C ZINC001019599190 1214273497 /nfs/dbraw/zinc/27/34/97/1214273497.db2.gz PUTBMPHLNMWODT-FVQBIDKESA-N 1 3 363.462 0.026 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001039787817 1214433101 /nfs/dbraw/zinc/43/31/01/1214433101.db2.gz QJLJRQSLRYYHMS-FRQCXROJSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001039787817 1214433108 /nfs/dbraw/zinc/43/31/08/1214433108.db2.gz QJLJRQSLRYYHMS-FRQCXROJSA-N 1 3 368.522 0.138 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCOCCNC(C)=O)C[C@H]21 ZINC001221968959 1225556775 /nfs/dbraw/zinc/55/67/75/1225556775.db2.gz JJZMVNFIUYBYPP-QZTJIDSGSA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCOCCNC(C)=O)C[C@H]21 ZINC001221968959 1225556782 /nfs/dbraw/zinc/55/67/82/1225556782.db2.gz JJZMVNFIUYBYPP-QZTJIDSGSA-N 1 3 368.522 0.404 20 0 FCADHO 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1217967257 /nfs/dbraw/zinc/96/72/57/1217967257.db2.gz KLOFLBGRTVFUKY-UHFFFAOYSA-N 1 3 372.473 0.988 20 0 FCADHO C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900800077 1218039877 /nfs/dbraw/zinc/03/98/77/1218039877.db2.gz BBRPYOCJVNGTAH-NVXWUHKLSA-N 1 3 360.506 0.198 20 0 FCADHO C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900800077 1218039882 /nfs/dbraw/zinc/03/98/82/1218039882.db2.gz BBRPYOCJVNGTAH-NVXWUHKLSA-N 1 3 360.506 0.198 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001048923489 1218341767 /nfs/dbraw/zinc/34/17/67/1218341767.db2.gz RYGYMBOPNYEALP-YVSFHVDLSA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001048923489 1218341773 /nfs/dbraw/zinc/34/17/73/1218341773.db2.gz RYGYMBOPNYEALP-YVSFHVDLSA-N 1 3 368.522 0.087 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903508862 1218431793 /nfs/dbraw/zinc/43/17/93/1218431793.db2.gz XRIRRGMMFCCEGR-QRQLOZEOSA-N 1 3 363.550 0.440 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001097086300 1218685263 /nfs/dbraw/zinc/68/52/63/1218685263.db2.gz WHSIWRYDFOTKBE-MKXGPGLRSA-N 1 3 370.497 0.949 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)C1CCC1 ZINC001226819206 1225855337 /nfs/dbraw/zinc/85/53/37/1225855337.db2.gz WZJBSWXWKKYSNA-HZPDHXFCSA-N 1 3 364.490 0.637 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001227150156 1225864854 /nfs/dbraw/zinc/86/48/54/1225864854.db2.gz KYCQWODKOWYFAJ-BRWVUGGUSA-N 1 3 365.522 0.991 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804051825 1219104207 /nfs/dbraw/zinc/10/42/07/1219104207.db2.gz VUVNAEAGPCRINK-BRWVUGGUSA-N 1 3 366.506 0.060 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804051825 1219104212 /nfs/dbraw/zinc/10/42/12/1219104212.db2.gz VUVNAEAGPCRINK-BRWVUGGUSA-N 1 3 366.506 0.060 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804058335 1219113985 /nfs/dbraw/zinc/11/39/85/1219113985.db2.gz ZVLLLJZMCCYPEQ-BRWVUGGUSA-N 1 3 366.506 0.347 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804058335 1219113990 /nfs/dbraw/zinc/11/39/90/1219113990.db2.gz ZVLLLJZMCCYPEQ-BRWVUGGUSA-N 1 3 366.506 0.347 20 0 FCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059497 1219114586 /nfs/dbraw/zinc/11/45/86/1219114586.db2.gz IUNNTWTYGONNEJ-ULQDDVLXSA-N 1 3 366.506 0.299 20 0 FCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059497 1219114592 /nfs/dbraw/zinc/11/45/92/1219114592.db2.gz IUNNTWTYGONNEJ-ULQDDVLXSA-N 1 3 366.506 0.299 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000804059711 1219115553 /nfs/dbraw/zinc/11/55/53/1219115553.db2.gz JYZBCFNQMOUFFB-BRWVUGGUSA-N 1 3 364.490 0.053 20 0 FCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)(C)C ZINC000804062743 1219117794 /nfs/dbraw/zinc/11/77/94/1219117794.db2.gz KNKZNQQQCNCRAN-XHSDSOJGSA-N 1 3 368.522 0.448 20 0 FCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070132558 1219207077 /nfs/dbraw/zinc/20/70/77/1219207077.db2.gz IRJOKYKYWUQFDS-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132558 1219207080 /nfs/dbraw/zinc/20/70/80/1219207080.db2.gz IRJOKYKYWUQFDS-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326966 1219377585 /nfs/dbraw/zinc/37/75/85/1219377585.db2.gz LVBCZDWWBAHKFQ-KURKYZTESA-N 1 3 354.458 0.772 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326966 1219377590 /nfs/dbraw/zinc/37/75/90/1219377590.db2.gz LVBCZDWWBAHKFQ-KURKYZTESA-N 1 3 354.458 0.772 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001228260386 1225906584 /nfs/dbraw/zinc/90/65/84/1225906584.db2.gz AGQXHGKQGUDUPF-GVDBMIGSSA-N 1 3 368.522 0.640 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC[N@@H+]1C ZINC001071057698 1219596804 /nfs/dbraw/zinc/59/68/04/1219596804.db2.gz ANSDMCSXUFWAFS-LHHMISFZSA-N 1 3 366.506 0.188 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC[N@H+]1C ZINC001071057698 1219596808 /nfs/dbraw/zinc/59/68/08/1219596808.db2.gz ANSDMCSXUFWAFS-LHHMISFZSA-N 1 3 366.506 0.188 20 0 FCADHO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001071104235 1219608005 /nfs/dbraw/zinc/60/80/05/1219608005.db2.gz NEGVAWHCEVDYPE-NUJGCVRESA-N 1 3 366.506 0.332 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCc3ccnn3C)CCCO2)CC[N@@H+]1C ZINC001073610909 1219673016 /nfs/dbraw/zinc/67/30/16/1219673016.db2.gz HTSJPLVZSCNYIW-KBAYOESNSA-N 1 3 363.506 0.510 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCc3ccnn3C)CCCO2)CC[N@H+]1C ZINC001073610909 1219673017 /nfs/dbraw/zinc/67/30/17/1219673017.db2.gz HTSJPLVZSCNYIW-KBAYOESNSA-N 1 3 363.506 0.510 20 0 FCADHO CC[C@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074630163 1219708235 /nfs/dbraw/zinc/70/82/35/1219708235.db2.gz CWDZMVYTROEWNR-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074630163 1219708237 /nfs/dbraw/zinc/70/82/37/1219708237.db2.gz CWDZMVYTROEWNR-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001228406459 1225919435 /nfs/dbraw/zinc/91/94/35/1225919435.db2.gz HNOVWLFEXXYOCN-IIDMSEBBSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)CC[N@@H+]1C ZINC001099254853 1219957839 /nfs/dbraw/zinc/95/78/39/1219957839.db2.gz XWYDBCKDGWBEJT-AAVRWANBSA-N 1 3 374.411 0.597 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)CC[N@H+]1C ZINC001099254853 1219957844 /nfs/dbraw/zinc/95/78/44/1219957844.db2.gz XWYDBCKDGWBEJT-AAVRWANBSA-N 1 3 374.411 0.597 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001228603970 1225935166 /nfs/dbraw/zinc/93/51/66/1225935166.db2.gz VPAXKONKTYKNDL-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@@H](COCC(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102384956 1220603749 /nfs/dbraw/zinc/60/37/49/1220603749.db2.gz KWGKDENTSLRPAV-IXDOHACOSA-N 1 3 368.522 0.260 20 0 FCADHO C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488607 1220652301 /nfs/dbraw/zinc/65/23/01/1220652301.db2.gz AUPRSZCBISOYEK-HZPDHXFCSA-N 1 3 363.506 0.715 20 0 FCADHO C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488708 1220652369 /nfs/dbraw/zinc/65/23/69/1220652369.db2.gz FWZLEZHHIBTFJM-BFYDXBDKSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598976 1220721865 /nfs/dbraw/zinc/72/18/65/1220721865.db2.gz ISGKNRNTZORFNA-QLFBSQMISA-N 1 3 367.494 0.130 20 0 FCADHO COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102783075 1220781347 /nfs/dbraw/zinc/78/13/47/1220781347.db2.gz UUEMGVJTBXHORF-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102783075 1220781348 /nfs/dbraw/zinc/78/13/48/1220781348.db2.gz UUEMGVJTBXHORF-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103060594 1220826335 /nfs/dbraw/zinc/82/63/35/1220826335.db2.gz UUGDYHTUDTVHHU-KFWWJZLASA-N 1 3 367.494 0.130 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103060594 1220826337 /nfs/dbraw/zinc/82/63/37/1220826337.db2.gz UUGDYHTUDTVHHU-KFWWJZLASA-N 1 3 367.494 0.130 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001103140003 1220839741 /nfs/dbraw/zinc/83/97/41/1220839741.db2.gz IMKWBKWOJGWNHZ-KBAYOESNSA-N 1 3 370.538 0.554 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001103140003 1220839743 /nfs/dbraw/zinc/83/97/43/1220839743.db2.gz IMKWBKWOJGWNHZ-KBAYOESNSA-N 1 3 370.538 0.554 20 0 FCADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156406 1220841735 /nfs/dbraw/zinc/84/17/35/1220841735.db2.gz BFVCPEBARSSOMU-RBSFLKMASA-N 1 3 366.506 0.596 20 0 FCADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156406 1220841737 /nfs/dbraw/zinc/84/17/37/1220841737.db2.gz BFVCPEBARSSOMU-RBSFLKMASA-N 1 3 366.506 0.596 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378811 1220873809 /nfs/dbraw/zinc/87/38/09/1220873809.db2.gz LMZXPOXYMKJFKU-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550190 1220899412 /nfs/dbraw/zinc/89/94/12/1220899412.db2.gz DDWOAURHEFMIAB-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550190 1220899416 /nfs/dbraw/zinc/89/94/16/1220899416.db2.gz DDWOAURHEFMIAB-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229354762 1226005380 /nfs/dbraw/zinc/00/53/80/1226005380.db2.gz MXGUWMHGQWOJHU-IAGOWNOFSA-N 1 3 364.494 0.443 20 0 FCADHO COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001104000018 1220997187 /nfs/dbraw/zinc/99/71/87/1220997187.db2.gz SISHHLGWJUFSRX-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO COCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811686 1221123675 /nfs/dbraw/zinc/12/36/75/1221123675.db2.gz KZDULUBZFDFAHA-UDHYTOICSA-N 1 3 363.502 0.857 20 0 FCADHO COCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811686 1221123677 /nfs/dbraw/zinc/12/36/77/1221123677.db2.gz KZDULUBZFDFAHA-UDHYTOICSA-N 1 3 363.502 0.857 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001112401654 1221252491 /nfs/dbraw/zinc/25/24/91/1221252491.db2.gz QPJINPVBSUDKSF-JXFKEZNVSA-N 1 3 362.518 0.921 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001229868466 1226037449 /nfs/dbraw/zinc/03/74/49/1226037449.db2.gz IFLSLVWLHLHLJH-BRWVUGGUSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC001117971506 1221670254 /nfs/dbraw/zinc/67/02/54/1221670254.db2.gz WHIVEMCORILYFB-INIZCTEOSA-N 1 3 361.490 0.168 20 0 FCADHO NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230171352 1226060190 /nfs/dbraw/zinc/06/01/90/1226060190.db2.gz DFTJOZJXTZWRPC-HUUCEWRRSA-N 1 3 367.494 0.464 20 0 FCADHO [NH2+]=C(NC[C@@H](O)CN1CCCC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC001118411804 1221776301 /nfs/dbraw/zinc/77/63/01/1221776301.db2.gz OENLUGYXNVGDKQ-GOSISDBHSA-N 1 3 373.501 0.748 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001120643232 1222110733 /nfs/dbraw/zinc/11/07/33/1222110733.db2.gz YRUYGQPDGAGGGY-YESZJQIVSA-N 1 3 366.506 0.386 20 0 FCADHO C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123693422 1222349652 /nfs/dbraw/zinc/34/96/52/1222349652.db2.gz ABNSLPQDDCBJCM-KSZLIROESA-N 1 3 367.538 0.375 20 0 FCADHO C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123693422 1222349657 /nfs/dbraw/zinc/34/96/57/1222349657.db2.gz ABNSLPQDDCBJCM-KSZLIROESA-N 1 3 367.538 0.375 20 0 FCADHO C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123693426 1222349866 /nfs/dbraw/zinc/34/98/66/1222349866.db2.gz ABNSLPQDDCBJCM-KURKYZTESA-N 1 3 367.538 0.375 20 0 FCADHO C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123693426 1222349873 /nfs/dbraw/zinc/34/98/73/1222349873.db2.gz ABNSLPQDDCBJCM-KURKYZTESA-N 1 3 367.538 0.375 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)cc2)CC1 ZINC000841259446 1222816677 /nfs/dbraw/zinc/81/66/77/1222816677.db2.gz QBRYSBMESISVKJ-UHFFFAOYSA-N 1 3 359.474 0.715 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000842223982 1222843062 /nfs/dbraw/zinc/84/30/62/1222843062.db2.gz UCWDVVOOMVTOJP-UHFFFAOYSA-N 1 3 360.502 0.735 20 0 FCADHO CN1CCN(CCC(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)CC1 ZINC001143237332 1222872690 /nfs/dbraw/zinc/87/26/90/1222872690.db2.gz KGTUTRKDDSDVFF-UHFFFAOYSA-N 1 3 374.489 0.387 20 0 FCADHO CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC001157309176 1223073465 /nfs/dbraw/zinc/07/34/65/1223073465.db2.gz FBXWYMBCUPXXGC-KBPBESRZSA-N 1 3 372.510 0.432 20 0 FCADHO N[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CC[NH2+]CC1 ZINC001157629705 1223079855 /nfs/dbraw/zinc/07/98/55/1223079855.db2.gz PZMOTIQVJHPFRD-SFHVURJKSA-N 1 3 360.458 0.386 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)cc(=O)oc2c1 ZINC001157811032 1223083082 /nfs/dbraw/zinc/08/30/82/1223083082.db2.gz YOXGVUGFAYWSRN-RLCCDNCMSA-N 1 3 359.426 0.867 20 0 FCADHO CN1C[C@@H](C(=O)N2CCNC[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959426 1223085310 /nfs/dbraw/zinc/08/53/10/1223085310.db2.gz BHVUKXXRLGKXDV-ROUUACIJSA-N 1 3 358.486 0.612 20 0 FCADHO COC(=O)c1nc2cnccc2c(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158262809 1223092339 /nfs/dbraw/zinc/09/23/39/1223092339.db2.gz WDUNEWWWJJSNHY-GFCCVEGCSA-N 1 3 356.430 0.813 20 0 FCADHO COC(=O)c1nc2cnccc2c(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158262809 1223092342 /nfs/dbraw/zinc/09/23/42/1223092342.db2.gz WDUNEWWWJJSNHY-GFCCVEGCSA-N 1 3 356.430 0.813 20 0 FCADHO O=C([C@H]1CC[C@@H](C(F)(F)F)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260834 1223092476 /nfs/dbraw/zinc/09/24/76/1223092476.db2.gz IEGNLVYBFJALCQ-VXGBXAGGSA-N 1 3 372.395 0.630 20 0 FCADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158416191 1223097257 /nfs/dbraw/zinc/09/72/57/1223097257.db2.gz SQUJFXZJAQUHEF-QMTMVMCOSA-N 1 3 365.474 0.431 20 0 FCADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158416191 1223097258 /nfs/dbraw/zinc/09/72/58/1223097258.db2.gz SQUJFXZJAQUHEF-QMTMVMCOSA-N 1 3 365.474 0.431 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103389 1223117393 /nfs/dbraw/zinc/11/73/93/1223117393.db2.gz PJTCYWQKPQDGCD-INIZCTEOSA-N 1 3 373.505 0.572 20 0 FCADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C[C@H]21 ZINC001159109532 1223117425 /nfs/dbraw/zinc/11/74/25/1223117425.db2.gz ZNMOFLPIYRFTJK-LTIDMASMSA-N 1 3 368.522 0.482 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159145981 1223118985 /nfs/dbraw/zinc/11/89/85/1223118985.db2.gz KSCDCRFFFMDHLF-FRQCXROJSA-N 1 3 362.474 0.924 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159584107 1223129924 /nfs/dbraw/zinc/12/99/24/1223129924.db2.gz GNLGNOQJUZWMBP-HZPDHXFCSA-N 1 3 359.474 0.077 20 0 FCADHO N[C@H](C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086542 1223144474 /nfs/dbraw/zinc/14/44/74/1223144474.db2.gz UYLLLKYVZBKRFB-ABSDTBQOSA-N 1 3 371.485 0.263 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160083740 1223144795 /nfs/dbraw/zinc/14/47/95/1223144795.db2.gz BSLZWANXVBPYMD-JTDSTZFVSA-N 1 3 359.474 0.393 20 0 FCADHO N[C@H](C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110611 1223146046 /nfs/dbraw/zinc/14/60/46/1223146046.db2.gz NODCASASTRJHIX-IRXDYDNUSA-N 1 3 371.485 0.373 20 0 FCADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CCO2 ZINC001160177974 1223147942 /nfs/dbraw/zinc/14/79/42/1223147942.db2.gz DCPSLSRIQSXBGT-VQIMIIECSA-N 1 3 364.490 0.101 20 0 FCADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CCO2 ZINC001160177974 1223147944 /nfs/dbraw/zinc/14/79/44/1223147944.db2.gz DCPSLSRIQSXBGT-VQIMIIECSA-N 1 3 364.490 0.101 20 0 FCADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCO2 ZINC001160191767 1223148784 /nfs/dbraw/zinc/14/87/84/1223148784.db2.gz ODIOUZKLJTUQNO-HKUYNNGSSA-N 1 3 368.522 0.722 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160353509 1223156074 /nfs/dbraw/zinc/15/60/74/1223156074.db2.gz PFGSYMUJAKKLCK-CYBMUJFWSA-N 1 3 358.402 0.273 20 0 FCADHO C[C@]1(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)CCC[NH2+]1 ZINC001160406049 1223157793 /nfs/dbraw/zinc/15/77/93/1223157793.db2.gz OBXXQLHITYPLMR-GOSISDBHSA-N 1 3 355.446 0.842 20 0 FCADHO COC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160581997 1223165474 /nfs/dbraw/zinc/16/54/74/1223165474.db2.gz JQCLESOURIBXHH-JYJNAYRXSA-N 1 3 368.522 0.850 20 0 FCADHO O=C([C@H]1CNCc2ccnn2C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779714 1223172047 /nfs/dbraw/zinc/17/20/47/1223172047.db2.gz LAVIQTXZPPFCOS-VPWXQRGCSA-N 1 3 351.454 0.602 20 0 FCADHO N[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)C1CC[NH2+]CC1 ZINC001160842351 1223176588 /nfs/dbraw/zinc/17/65/88/1223176588.db2.gz DQQKNXXBTUSFPB-CYBMUJFWSA-N 1 3 372.395 0.471 20 0 FCADHO N[C@H](C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001160939763 1223181037 /nfs/dbraw/zinc/18/10/37/1223181037.db2.gz FMMZLVTYOVWMIF-IBGZPJMESA-N 1 3 358.486 0.617 20 0 FCADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1c[nH]cn1)Cc1ccccc1 ZINC001160971969 1223182372 /nfs/dbraw/zinc/18/23/72/1223182372.db2.gz GCRNBGRFWOZADE-GOSISDBHSA-N 1 3 356.474 0.689 20 0 FCADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001160971969 1223182376 /nfs/dbraw/zinc/18/23/76/1223182376.db2.gz GCRNBGRFWOZADE-GOSISDBHSA-N 1 3 356.474 0.689 20 0 FCADHO C[C@@H]1CCN(C(=O)CNCCC[NH3+])C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160959849 1223182741 /nfs/dbraw/zinc/18/27/41/1223182741.db2.gz XNYYOMDQDASCKM-HIFRSBDPSA-N 1 3 359.478 0.570 20 0 FCADHO CCn1c2ccccc2nc1N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161297206 1223194244 /nfs/dbraw/zinc/19/42/44/1223194244.db2.gz SWMKQSQRMXXHCX-OAHLLOKOSA-N 1 3 368.485 0.514 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)CC2)ccn1 ZINC001161306813 1223195310 /nfs/dbraw/zinc/19/53/10/1223195310.db2.gz ZVWIIPLRPFFLDO-INIZCTEOSA-N 1 3 359.474 0.613 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)CC2)ccn1 ZINC001161306813 1223195312 /nfs/dbraw/zinc/19/53/12/1223195312.db2.gz ZVWIIPLRPFFLDO-INIZCTEOSA-N 1 3 359.474 0.613 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1=O ZINC001161321792 1223196032 /nfs/dbraw/zinc/19/60/32/1223196032.db2.gz PIISOEZJURZQCQ-ZOBUZTSGSA-N 1 3 366.506 0.604 20 0 FCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378740 1223197057 /nfs/dbraw/zinc/19/70/57/1223197057.db2.gz MINCSDMAGZSBJA-MOPGFXCFSA-N 1 3 360.502 0.945 20 0 FCADHO Cc1ccc(CN(C(=O)[C@@H]2COC3(CNC3)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395557 1223198074 /nfs/dbraw/zinc/19/80/74/1223198074.db2.gz FWBDILAOQSBXDP-FHWLQOOXSA-N 1 3 372.513 0.924 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412199 1223198425 /nfs/dbraw/zinc/19/84/25/1223198425.db2.gz HIPAAXSQRSSQGR-JJXSEGSLSA-N 1 3 359.474 0.505 20 0 FCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1-n1nccc1C[NH3+] ZINC001162590871 1223217978 /nfs/dbraw/zinc/21/79/78/1223217978.db2.gz GNPXGKIIDWYXGF-ZDUSSCGKSA-N 1 3 361.446 0.832 20 0 FCADHO c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncc3c(n2)CCNC3)nc1 ZINC001165801896 1223257136 /nfs/dbraw/zinc/25/71/36/1223257136.db2.gz WOMBRLFWNSNUTD-JLJPHGGASA-N 1 3 367.457 0.675 20 0 FCADHO Cc1ncc(C[N@@H+]2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1C ZINC001206792756 1223370280 /nfs/dbraw/zinc/37/02/80/1223370280.db2.gz HQFVKLULKGCSIM-UHFFFAOYSA-N 1 3 355.490 0.871 20 0 FCADHO Cc1ncc(C[N@H+]2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1C ZINC001206792756 1223370286 /nfs/dbraw/zinc/37/02/86/1223370286.db2.gz HQFVKLULKGCSIM-UHFFFAOYSA-N 1 3 355.490 0.871 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001208070069 1223513037 /nfs/dbraw/zinc/51/30/37/1223513037.db2.gz CHLJTENEHWUACK-HYVNUMGLSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001208070069 1223513039 /nfs/dbraw/zinc/51/30/39/1223513039.db2.gz CHLJTENEHWUACK-HYVNUMGLSA-N 1 3 366.506 0.202 20 0 FCADHO CN1CCN(c2cc(Nc3ccnc(N4CC[NH2+]CC4)c3)ncn2)CC1 ZINC001210262686 1223679426 /nfs/dbraw/zinc/67/94/26/1223679426.db2.gz NECBXKLVXKPGKJ-UHFFFAOYSA-N 1 3 354.462 0.777 20 0 FCADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309333 1223734655 /nfs/dbraw/zinc/73/46/55/1223734655.db2.gz AJUMWMYPRWGBCU-FGTMMUONSA-N 1 3 371.522 0.323 20 0 FCADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349943 1223736572 /nfs/dbraw/zinc/73/65/72/1223736572.db2.gz KYUNRXVWMNYLSD-FGTMMUONSA-N 1 3 371.522 0.323 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555457 1223813172 /nfs/dbraw/zinc/81/31/72/1223813172.db2.gz NCCJISORSGEZPJ-IAGOWNOFSA-N 1 3 367.494 0.300 20 0 FCADHO CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214338381 1223902005 /nfs/dbraw/zinc/90/20/05/1223902005.db2.gz PPELEIFXAFPWJE-KFWWJZLASA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001214343689 1223902646 /nfs/dbraw/zinc/90/26/46/1223902646.db2.gz CKXPMWDCVWURTL-XYPHTWIQSA-N 1 3 362.518 0.822 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001214344282 1223902683 /nfs/dbraw/zinc/90/26/83/1223902683.db2.gz QVSAZZULOMYIMU-KBAYOESNSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001214344283 1223902879 /nfs/dbraw/zinc/90/28/79/1223902879.db2.gz QVSAZZULOMYIMU-NXHRZFHOSA-N 1 3 358.486 0.834 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214598697 1223925054 /nfs/dbraw/zinc/92/50/54/1223925054.db2.gz ZQQNMTWZNUISPT-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214598697 1223925057 /nfs/dbraw/zinc/92/50/57/1223925057.db2.gz ZQQNMTWZNUISPT-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214948287 1223958650 /nfs/dbraw/zinc/95/86/50/1223958650.db2.gz NQQSJFZHSUYGDE-NVXWUHKLSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458814 1224000500 /nfs/dbraw/zinc/00/05/00/1224000500.db2.gz LXQHDWOOXULKEU-QLFBSQMISA-N 1 3 369.510 0.245 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001215461107 1224000640 /nfs/dbraw/zinc/00/06/40/1224000640.db2.gz SDYAVAMAWIRPLF-DJIMGWMZSA-N 1 3 366.506 0.012 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1 ZINC001216002341 1224029405 /nfs/dbraw/zinc/02/94/05/1224029405.db2.gz RIRWPKAPCMJHLZ-IAGOWNOFSA-N 1 3 370.538 0.696 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384111 1224047841 /nfs/dbraw/zinc/04/78/41/1224047841.db2.gz YGBPRRGGDXVEHG-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384111 1224047844 /nfs/dbraw/zinc/04/78/44/1224047844.db2.gz YGBPRRGGDXVEHG-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001216469272 1224052484 /nfs/dbraw/zinc/05/24/84/1224052484.db2.gz ONCXAVKVZLPPQX-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838926 1224077745 /nfs/dbraw/zinc/07/77/45/1224077745.db2.gz IMKHRENLVWBMSB-HUUCEWRRSA-N 1 3 367.494 0.145 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993493686 1249588720 /nfs/dbraw/zinc/58/87/20/1249588720.db2.gz ULQODYOYUCSWKE-CLCXKQKWSA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993493686 1249588728 /nfs/dbraw/zinc/58/87/28/1249588728.db2.gz ULQODYOYUCSWKE-CLCXKQKWSA-N 1 3 359.474 0.601 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1)N(C)C ZINC000941786090 1246825633 /nfs/dbraw/zinc/82/56/33/1246825633.db2.gz QCMDZFAMLKKMCB-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001327811324 1265432561 /nfs/dbraw/zinc/43/25/61/1265432561.db2.gz DGDKFBCMWGMPPD-QGZVFWFLSA-N 1 3 360.458 0.714 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327984352 1265467125 /nfs/dbraw/zinc/46/71/25/1265467125.db2.gz KZBYUDFCWOVWQT-QZTJIDSGSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000996721944 1251425036 /nfs/dbraw/zinc/42/50/36/1251425036.db2.gz WGQLBIKMRSLQME-NCOADZHNSA-N 1 3 357.458 0.542 20 0 FCADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC000997884125 1251734391 /nfs/dbraw/zinc/73/43/91/1251734391.db2.gz BMNHKSUKCPZMNL-VSZNYVQBSA-N 1 3 362.518 0.917 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055980747 1254091521 /nfs/dbraw/zinc/09/15/21/1254091521.db2.gz QFGXDHFWSQVRKE-MDZRGWNJSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055980747 1254091527 /nfs/dbraw/zinc/09/15/27/1254091527.db2.gz QFGXDHFWSQVRKE-MDZRGWNJSA-N 1 3 368.522 0.137 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001329823835 1265861090 /nfs/dbraw/zinc/86/10/90/1265861090.db2.gz PHJGLBQPVODQRU-UHFFFAOYSA-N 1 3 366.466 0.283 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3cncn3C)C2)CC[N@@H+]1C ZINC001078403599 1255407831 /nfs/dbraw/zinc/40/78/31/1255407831.db2.gz CTOZHYXLFYDFLX-OKZBNKHCSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3cncn3C)C2)CC[N@H+]1C ZINC001078403599 1255407835 /nfs/dbraw/zinc/40/78/35/1255407835.db2.gz CTOZHYXLFYDFLX-OKZBNKHCSA-N 1 3 363.506 0.858 20 0 FCADHO CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080890091 1256075348 /nfs/dbraw/zinc/07/53/48/1256075348.db2.gz QGTSAXGJUOCSSM-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080890091 1256075360 /nfs/dbraw/zinc/07/53/60/1256075360.db2.gz QGTSAXGJUOCSSM-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330452359 1266028342 /nfs/dbraw/zinc/02/83/42/1266028342.db2.gz XYOOUYZHODACHY-YESZJQIVSA-N 1 3 366.506 0.345 20 0 FCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1OC ZINC001082385031 1256737134 /nfs/dbraw/zinc/73/71/34/1256737134.db2.gz UWNPJKQUYGEDJZ-KZNAEPCWSA-N 1 3 363.506 0.652 20 0 FCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1OC ZINC001082385031 1256737139 /nfs/dbraw/zinc/73/71/39/1256737139.db2.gz UWNPJKQUYGEDJZ-KZNAEPCWSA-N 1 3 363.506 0.652 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)n1 ZINC001083084857 1257286881 /nfs/dbraw/zinc/28/68/81/1257286881.db2.gz JZRLXRSLCQMYSB-ZWKOTPCHSA-N 1 3 361.490 0.770 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001084090830 1257915012 /nfs/dbraw/zinc/91/50/12/1257915012.db2.gz KRZCWSJNLANLFL-IPELMVKDSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001084090830 1257915016 /nfs/dbraw/zinc/91/50/16/1257915016.db2.gz KRZCWSJNLANLFL-IPELMVKDSA-N 1 3 361.486 0.950 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032398 1258533947 /nfs/dbraw/zinc/53/39/47/1258533947.db2.gz FBHNAIICVFPQCE-ZACQAIPSSA-N 1 3 363.506 0.419 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032398 1258533953 /nfs/dbraw/zinc/53/39/53/1258533953.db2.gz FBHNAIICVFPQCE-ZACQAIPSSA-N 1 3 363.506 0.419 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033294 1258537055 /nfs/dbraw/zinc/53/70/55/1258537055.db2.gz ZFAIDZOFXWQUFM-ZACQAIPSSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033294 1258537059 /nfs/dbraw/zinc/53/70/59/1258537059.db2.gz ZFAIDZOFXWQUFM-ZACQAIPSSA-N 1 3 363.506 0.276 20 0 FCADHO COCC1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]CC1 ZINC001331375364 1266202795 /nfs/dbraw/zinc/20/27/95/1266202795.db2.gz PCHBZVVRAPXPIG-UHFFFAOYSA-N 1 3 366.506 0.335 20 0 FCADHO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001092782036 1258843874 /nfs/dbraw/zinc/84/38/74/1258843874.db2.gz CAGDLPOSKGLLCU-UKRRQHHQSA-N 1 3 353.430 0.961 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001092782036 1258843878 /nfs/dbraw/zinc/84/38/78/1258843878.db2.gz CAGDLPOSKGLLCU-UKRRQHHQSA-N 1 3 353.430 0.961 20 0 FCADHO C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782036 1258843884 /nfs/dbraw/zinc/84/38/84/1258843884.db2.gz CAGDLPOSKGLLCU-UKRRQHHQSA-N 1 3 353.430 0.961 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)C1 ZINC001106666340 1258936998 /nfs/dbraw/zinc/93/69/98/1258936998.db2.gz KZHJBTPWEZHKMZ-JFIYKMOQSA-N 1 3 364.534 0.881 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666692 1258937081 /nfs/dbraw/zinc/93/70/81/1258937081.db2.gz QURXOIHULGNEBQ-GVDBMIGSSA-N 1 3 368.522 0.165 20 0 FCADHO Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001106666467 1258937428 /nfs/dbraw/zinc/93/74/28/1258937428.db2.gz LTAOKGQMFWNVQV-IIDMSEBBSA-N 1 3 362.522 0.921 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106779512 1258962092 /nfs/dbraw/zinc/96/20/92/1258962092.db2.gz PTEQKJHWCPKGDN-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106877959 1258986765 /nfs/dbraw/zinc/98/67/65/1258986765.db2.gz DMIPVBWKSDEVPQ-GDBMZVCRSA-N 1 3 366.510 0.369 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106907894 1258994967 /nfs/dbraw/zinc/99/49/67/1258994967.db2.gz HUBKVFSTYBJDMI-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127695423 1259184689 /nfs/dbraw/zinc/18/46/89/1259184689.db2.gz KLPYNRZXRYHESZ-HZSPNIEDSA-N 1 3 369.510 0.435 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127695423 1259184691 /nfs/dbraw/zinc/18/46/91/1259184691.db2.gz KLPYNRZXRYHESZ-HZSPNIEDSA-N 1 3 369.510 0.435 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129205294 1259344228 /nfs/dbraw/zinc/34/42/28/1259344228.db2.gz SEKQJDLMUQUTHT-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205218 1259344516 /nfs/dbraw/zinc/34/45/16/1259344516.db2.gz QXSODNCGZUYBSG-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129228185 1259348769 /nfs/dbraw/zinc/34/87/69/1259348769.db2.gz HPOBZWYRPKPABO-IKGGRYGDSA-N 1 3 364.494 0.386 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157593771 1259385130 /nfs/dbraw/zinc/38/51/30/1259385130.db2.gz WRGYAONTTAVQNX-ARFHVFGLSA-N 1 3 356.470 0.668 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157593771 1259385136 /nfs/dbraw/zinc/38/51/36/1259385136.db2.gz WRGYAONTTAVQNX-ARFHVFGLSA-N 1 3 356.470 0.668 20 0 FCADHO CN1CCN(c2ccncc2C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001199356122 1259413993 /nfs/dbraw/zinc/41/39/93/1259413993.db2.gz CLICAEGYAAANQK-KRWDZBQOSA-N 1 3 373.501 0.770 20 0 FCADHO CC(C)CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200546227 1259416876 /nfs/dbraw/zinc/41/68/76/1259416876.db2.gz AHUXGUPLROTMCE-BRWVUGGUSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546227 1259416880 /nfs/dbraw/zinc/41/68/80/1259416880.db2.gz AHUXGUPLROTMCE-BRWVUGGUSA-N 1 3 368.522 0.306 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCC(=O)Nc3ccon3)CC2)CC[N@@H+]1C ZINC001200651690 1259418733 /nfs/dbraw/zinc/41/87/33/1259418733.db2.gz HUNWPECLSQHCGM-LSDHHAIUSA-N 1 3 363.462 0.924 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001200651690 1259418739 /nfs/dbraw/zinc/41/87/39/1259418739.db2.gz HUNWPECLSQHCGM-LSDHHAIUSA-N 1 3 363.462 0.924 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519903 /nfs/dbraw/zinc/51/99/03/1259519903.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 1 3 368.522 0.448 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519908 /nfs/dbraw/zinc/51/99/08/1259519908.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519911 /nfs/dbraw/zinc/51/99/11/1259519911.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483431 1259519917 /nfs/dbraw/zinc/51/99/17/1259519917.db2.gz IQXSGRMMWSMZBI-ARFHVFGLSA-N 1 3 368.522 0.448 20 0 FCADHO CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CNCCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597371 1259658230 /nfs/dbraw/zinc/65/82/30/1259658230.db2.gz UNBGNXCRXDDVDH-FPXQBCRKSA-N 1 3 367.490 0.535 20 0 FCADHO CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CNCCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597371 1259658241 /nfs/dbraw/zinc/65/82/41/1259658241.db2.gz UNBGNXCRXDDVDH-FPXQBCRKSA-N 1 3 367.490 0.535 20 0 FCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762563 1259684102 /nfs/dbraw/zinc/68/41/02/1259684102.db2.gz CRKOVUBSJOZCQY-YECZKDOJSA-N 1 3 361.490 0.627 20 0 FCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762563 1259684111 /nfs/dbraw/zinc/68/41/11/1259684111.db2.gz CRKOVUBSJOZCQY-YECZKDOJSA-N 1 3 361.490 0.627 20 0 FCADHO c1ncn2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1ccccn1)C2 ZINC001246763386 1259685419 /nfs/dbraw/zinc/68/54/19/1259685419.db2.gz BWEGRHNYBQFKIJ-IAGOWNOFSA-N 1 3 368.485 0.883 20 0 FCADHO Cn1cc(N2CC[C@]3(CCCN([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768954 1259686146 /nfs/dbraw/zinc/68/61/46/1259686146.db2.gz CZPHAYVDRMAGDZ-YJBOKZPZSA-N 1 3 358.490 0.333 20 0 FCADHO COC(=O)c1ccc(CN2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246808268 1259691089 /nfs/dbraw/zinc/69/10/89/1259691089.db2.gz MYAGSGBTUGEFFA-SFHVURJKSA-N 1 3 358.486 0.685 20 0 FCADHO CN1CCN(Cc2cccc(-c3noc(C[C@H]4C[NH2+]CCN4)n3)c2)CC1 ZINC001248359633 1259710093 /nfs/dbraw/zinc/71/00/93/1259710093.db2.gz APSCTLQLNSNVII-KRWDZBQOSA-N 1 3 356.474 0.588 20 0 FCADHO CN1CCN(Cc2cccc(-c3noc(CC[C@H]([NH3+])C(N)=O)n3)c2)CC1 ZINC001249287126 1259721738 /nfs/dbraw/zinc/72/17/38/1259721738.db2.gz DVAOUJBXTQUNRM-HNNXBMFYSA-N 1 3 358.446 0.229 20 0 FCADHO CCOC(=O)C1CCC(O)(C[N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001251058318 1259735658 /nfs/dbraw/zinc/73/56/58/1259735658.db2.gz UJDWFCCORSWEJC-UHFFFAOYSA-N 1 3 369.506 0.567 20 0 FCADHO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001251058318 1259735664 /nfs/dbraw/zinc/73/56/64/1259735664.db2.gz UJDWFCCORSWEJC-UHFFFAOYSA-N 1 3 369.506 0.567 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185884 1259829427 /nfs/dbraw/zinc/82/94/27/1259829427.db2.gz JOKHSZRZNKALRT-IEBWSBKVSA-N 1 3 363.506 0.942 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185884 1259829430 /nfs/dbraw/zinc/82/94/30/1259829430.db2.gz JOKHSZRZNKALRT-IEBWSBKVSA-N 1 3 363.506 0.942 20 0 FCADHO Cn1cc(C(=O)N[C@H]2CN([C@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523858 1259890170 /nfs/dbraw/zinc/89/01/70/1259890170.db2.gz SBRWPDMUQWIVBQ-WNRNVDISSA-N 1 3 361.490 0.866 20 0 FCADHO Cn1cc(C(=O)N[C@H]2CN([C@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523858 1259890173 /nfs/dbraw/zinc/89/01/73/1259890173.db2.gz SBRWPDMUQWIVBQ-WNRNVDISSA-N 1 3 361.490 0.866 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254523655 1259890461 /nfs/dbraw/zinc/89/04/61/1259890461.db2.gz UYDQUFOILBQYJA-KRWDZBQOSA-N 1 3 360.502 0.821 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254523655 1259890467 /nfs/dbraw/zinc/89/04/67/1259890467.db2.gz UYDQUFOILBQYJA-KRWDZBQOSA-N 1 3 360.502 0.821 20 0 FCADHO Cc1cn(CC(=O)NCC[NH2+]C2CCN(C(C)(C)C)CC2)c(=O)[nH]c1=O ZINC001256563557 1259955919 /nfs/dbraw/zinc/95/59/19/1259955919.db2.gz BEPRWNMUQUCXJV-UHFFFAOYSA-N 1 3 365.478 0.226 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825777 1260231288 /nfs/dbraw/zinc/23/12/88/1260231288.db2.gz HYFWOAZNEIBEKU-YOEHRIQHSA-N 1 3 371.428 0.767 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@H](C)C1 ZINC001336943571 1260262979 /nfs/dbraw/zinc/26/29/79/1260262979.db2.gz YCYKIWVTFXPBML-IAGOWNOFSA-N 1 3 355.527 0.158 20 0 FCADHO CN(C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272832762 1260513122 /nfs/dbraw/zinc/51/31/22/1260513122.db2.gz YVUMMAGQTFRZJL-FXAWDEMLSA-N 1 3 362.518 0.873 20 0 FCADHO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCN3C3CCCCC3)C[C@H]21 ZINC001273141771 1260606112 /nfs/dbraw/zinc/60/61/12/1260606112.db2.gz SWVKENURBNLUGQ-OTWHNJEPSA-N 1 3 364.534 0.867 20 0 FCADHO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCN1C1CCCCC1 ZINC001273140512 1260607107 /nfs/dbraw/zinc/60/71/07/1260607107.db2.gz IWVYOMBHUDIKGY-OTWHNJEPSA-N 1 3 364.534 0.867 20 0 FCADHO O=C1CC[C@H](CN2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472464 1260695688 /nfs/dbraw/zinc/69/56/88/1260695688.db2.gz NMLVXHUGTDMRJB-DJIMGWMZSA-N 1 3 360.502 0.720 20 0 FCADHO O=C1CC[C@H](CN2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472464 1260695696 /nfs/dbraw/zinc/69/56/96/1260695696.db2.gz NMLVXHUGTDMRJB-DJIMGWMZSA-N 1 3 360.502 0.720 20 0 FCADHO CN1CCN(C2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)CC1 ZINC001332189202 1266354002 /nfs/dbraw/zinc/35/40/02/1266354002.db2.gz LLMLGCIWPOQXTH-UHFFFAOYSA-N 1 3 361.490 0.994 20 0 FCADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1 ZINC001278769111 1260728772 /nfs/dbraw/zinc/72/87/72/1260728772.db2.gz ILUBEBZRQIBGFD-MOPGFXCFSA-N 1 3 360.502 0.835 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccn(C)c(=O)c1 ZINC001279045149 1260782340 /nfs/dbraw/zinc/78/23/40/1260782340.db2.gz QISXUGQTJNROCF-NVXWUHKLSA-N 1 3 364.490 0.290 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccn(C)c(=O)c1 ZINC001279045149 1260782345 /nfs/dbraw/zinc/78/23/45/1260782345.db2.gz QISXUGQTJNROCF-NVXWUHKLSA-N 1 3 364.490 0.290 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280121212 1261009488 /nfs/dbraw/zinc/00/94/88/1261009488.db2.gz XCUOOFKWVQNWOU-HZPDHXFCSA-N 1 3 354.458 0.965 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280121212 1261009492 /nfs/dbraw/zinc/00/94/92/1261009492.db2.gz XCUOOFKWVQNWOU-HZPDHXFCSA-N 1 3 354.458 0.965 20 0 FCADHO C[NH+]1CCC(C)(CN2CC3(C[C@@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280211619 1261034450 /nfs/dbraw/zinc/03/44/50/1261034450.db2.gz YUKDDQHUFUMBBJ-OAHLLOKOSA-N 1 3 358.490 0.674 20 0 FCADHO COCCOCN1C[C@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280221688 1261038729 /nfs/dbraw/zinc/03/87/29/1261038729.db2.gz ZWLIZJOMJGZUCD-IAGOWNOFSA-N 1 3 368.522 0.071 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001281852133 1261234686 /nfs/dbraw/zinc/23/46/86/1261234686.db2.gz QOBYGSSKHZVVOB-OAGGEKHMSA-N 1 3 368.522 0.256 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1OC ZINC001281857999 1261238585 /nfs/dbraw/zinc/23/85/85/1261238585.db2.gz XSTBQMFHXDSITA-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1OC ZINC001281857999 1261238587 /nfs/dbraw/zinc/23/85/87/1261238587.db2.gz XSTBQMFHXDSITA-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533797 1261473011 /nfs/dbraw/zinc/47/30/11/1261473011.db2.gz BKYGIDMPBVNDBL-WMZOPIPTSA-N 1 3 371.485 0.673 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533792 1261473138 /nfs/dbraw/zinc/47/31/38/1261473138.db2.gz BKYGIDMPBVNDBL-AEFFLSMTSA-N 1 3 371.485 0.673 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001345133701 1261640134 /nfs/dbraw/zinc/64/01/34/1261640134.db2.gz RHERXLMUZVDCGY-SJORKVTESA-N 1 3 364.534 0.977 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)N3CCN(C)C[C@H]3C[NH3+])c2)CC1 ZINC001345140869 1261640572 /nfs/dbraw/zinc/64/05/72/1261640572.db2.gz ILYKUHOMMMTWSV-LJQANCHMSA-N 1 3 374.533 0.218 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O)N(C)C ZINC001289191547 1262145358 /nfs/dbraw/zinc/14/53/58/1262145358.db2.gz IYOODOKKJIVDNI-IXDOHACOSA-N 1 3 368.522 0.281 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001289520016 1262235643 /nfs/dbraw/zinc/23/56/43/1262235643.db2.gz OMBUMQBFDLAXPP-JFIYKMOQSA-N 1 3 368.522 0.399 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859046 1262359344 /nfs/dbraw/zinc/35/93/44/1262359344.db2.gz KMXJEEVMBQSBDL-IXDOHACOSA-N 1 3 364.534 0.975 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859046 1262359350 /nfs/dbraw/zinc/35/93/50/1262359350.db2.gz KMXJEEVMBQSBDL-IXDOHACOSA-N 1 3 364.534 0.975 20 0 FCADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304849592 1263151884 /nfs/dbraw/zinc/15/18/84/1263151884.db2.gz DSRNCRMCTGGAPP-GDBMZVCRSA-N 1 3 363.510 0.279 20 0 FCADHO Cc1nn(C)c(N2CCOCC2)c1CNCCN1CCC([NH+](C)C)CC1 ZINC001308300670 1263217492 /nfs/dbraw/zinc/21/74/92/1263217492.db2.gz OKALXDUAUUOYKE-UHFFFAOYSA-N 1 3 364.538 0.681 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N(CCO)C3CCOCC3)CC2)CC1 ZINC001320513862 1263808555 /nfs/dbraw/zinc/80/85/55/1263808555.db2.gz NHZZPOFXDGUGMT-UHFFFAOYSA-N 1 3 368.522 0.728 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001322598950 1264227253 /nfs/dbraw/zinc/22/72/53/1264227253.db2.gz WGDLITDUYNYUEI-IAGOWNOFSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cc(F)cc(F)c1 ZINC001325199396 1264807146 /nfs/dbraw/zinc/80/71/46/1264807146.db2.gz FGXFBBWKZYKNKG-UHFFFAOYSA-N 1 3 370.444 0.875 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC001326115546 1265060332 /nfs/dbraw/zinc/06/03/32/1265060332.db2.gz HSFADRWXEVWULA-SFHVURJKSA-N 1 3 361.490 0.222 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)c3cnn(C)c3)CC2)CC1 ZINC001326353383 1265097566 /nfs/dbraw/zinc/09/75/66/1265097566.db2.gz JDENFQVDZZGZBB-GOSISDBHSA-N 1 3 363.506 0.766 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001326996687 1265215006 /nfs/dbraw/zinc/21/50/06/1265215006.db2.gz OYNIAZMZCGZBGF-DLBZAZTESA-N 1 3 364.465 0.750 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001513581792 1265231023 /nfs/dbraw/zinc/23/10/23/1265231023.db2.gz AAUVWMAELBCZDO-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1O ZINC001513581792 1265231034 /nfs/dbraw/zinc/23/10/34/1265231034.db2.gz AAUVWMAELBCZDO-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO [NH3+]C1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC001327486679 1265338927 /nfs/dbraw/zinc/33/89/27/1265338927.db2.gz PUNZLFKFLAETLR-UHFFFAOYSA-N 1 3 359.474 0.360 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC2)CC1 ZINC001542526486 1267498115 /nfs/dbraw/zinc/49/81/15/1267498115.db2.gz PJSKEULLUZDTFJ-OAHLLOKOSA-N 1 3 353.511 0.744 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@@H]2[NH3+])cn1 ZINC001549074331 1267799211 /nfs/dbraw/zinc/79/92/11/1267799211.db2.gz QTMYBDOWCQJVDP-IRXDYDNUSA-N 1 3 361.490 0.708 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC001549140505 1267821691 /nfs/dbraw/zinc/82/16/91/1267821691.db2.gz ZXGCILHBXLVKIT-DOTOQJQBSA-N 1 3 366.506 0.014 20 0 FCADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549739300 1267984796 /nfs/dbraw/zinc/98/47/96/1267984796.db2.gz OWBONCLDJUTHOU-FUHIMQAGSA-N 1 3 356.470 0.984 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550199461 1268091787 /nfs/dbraw/zinc/09/17/87/1268091787.db2.gz BNRZENUSIZUTKT-IAGOWNOFSA-N 1 3 362.518 0.955 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)N(C)C1 ZINC001550284096 1268103954 /nfs/dbraw/zinc/10/39/54/1268103954.db2.gz WPTIBACBVAXERB-BZUAXINKSA-N 1 3 354.495 0.506 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)C[C@H]2[NH3+])c1 ZINC001550757318 1268163321 /nfs/dbraw/zinc/16/33/21/1268163321.db2.gz OBSABRILQINBQQ-GVDBMIGSSA-N 1 3 354.458 0.571 20 0 FCADHO COc1ccccc1NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912733 1268184719 /nfs/dbraw/zinc/18/47/19/1268184719.db2.gz KBALLBZANOPXOF-DNVCBOLYSA-N 1 3 360.458 0.870 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)N(C)C1 ZINC001550980911 1268189725 /nfs/dbraw/zinc/18/97/25/1268189725.db2.gz SKYUHVKHZZRSFE-BRWVUGGUSA-N 1 3 354.495 0.600 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)N(C)C1 ZINC001550980911 1268189731 /nfs/dbraw/zinc/18/97/31/1268189731.db2.gz SKYUHVKHZZRSFE-BRWVUGGUSA-N 1 3 354.495 0.600 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)N(C)C1 ZINC001550980913 1268189940 /nfs/dbraw/zinc/18/99/40/1268189940.db2.gz SKYUHVKHZZRSFE-IXDOHACOSA-N 1 3 354.495 0.600 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)N(C)C1 ZINC001550980913 1268189944 /nfs/dbraw/zinc/18/99/44/1268189944.db2.gz SKYUHVKHZZRSFE-IXDOHACOSA-N 1 3 354.495 0.600 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001551099960 1268205324 /nfs/dbraw/zinc/20/53/24/1268205324.db2.gz KLTNRBPSSPTJSJ-OKYOBFRVSA-N 1 3 365.518 0.791 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551542341 1268264883 /nfs/dbraw/zinc/26/48/83/1268264883.db2.gz BQRHJOYQKMLPJI-QHSBEEBCSA-N 1 3 362.396 0.691 20 0 FCADHO CCN1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551573479 1268274331 /nfs/dbraw/zinc/27/43/31/1268274331.db2.gz WPEXEXJTEZOHMR-ZOBUZTSGSA-N 1 3 351.495 0.417 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552202167 1268408091 /nfs/dbraw/zinc/40/80/91/1268408091.db2.gz BUAIZRWHICNVGJ-PZJWPPBQSA-N 1 3 372.513 0.676 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)C[C@@H](C)O1 ZINC001552283482 1268431909 /nfs/dbraw/zinc/43/19/09/1268431909.db2.gz STLBQZHIQPIIEJ-NUJGCVRESA-N 1 3 353.507 0.960 20 0 FCADHO CN(C)[C@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001552652793 1268509400 /nfs/dbraw/zinc/50/94/00/1268509400.db2.gz OOIFKABZYOFCFT-KBPBESRZSA-N 1 3 361.454 0.055 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC1CCN(CCO)CC1)C2 ZINC001552996893 1268574578 /nfs/dbraw/zinc/57/45/78/1268574578.db2.gz WSWJLJFYGNFOKL-DWRORGKVSA-N 1 3 368.522 0.222 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC1CCN(CCO)CC1)C2 ZINC001552996893 1268574585 /nfs/dbraw/zinc/57/45/85/1268574585.db2.gz WSWJLJFYGNFOKL-DWRORGKVSA-N 1 3 368.522 0.222 20 0 FCADHO O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553503105 1268659728 /nfs/dbraw/zinc/65/97/28/1268659728.db2.gz MRIGJKGSAVAEJJ-VSZNYVQBSA-N 1 3 366.506 0.384 20 0 FCADHO C[C@H]1C[NH2+]C[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553525235 1268664398 /nfs/dbraw/zinc/66/43/98/1268664398.db2.gz GXGHPHQTUMCWEW-GJZGRUSLSA-N 1 3 351.495 0.357 20 0 FCADHO NCc1nnc(-c2ccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)cc2)[nH]1 ZINC001554035216 1268744978 /nfs/dbraw/zinc/74/49/78/1268744978.db2.gz GAGKKMCBTUULOS-GFCCVEGCSA-N 1 3 353.390 0.309 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3nc4ncccn4n3)CC2)CC1 ZINC001563842760 1269400239 /nfs/dbraw/zinc/40/02/39/1269400239.db2.gz KBXIVRGTWMVCOB-UHFFFAOYSA-N 1 3 372.477 0.482 20 0 FCADHO N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001342363710 1269444111 /nfs/dbraw/zinc/44/41/11/1269444111.db2.gz POSIQPRISCDGHD-ULQDDVLXSA-N 1 3 360.458 0.983 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001573062268 1270583232 /nfs/dbraw/zinc/58/32/32/1270583232.db2.gz DFXBZFRTADBGCY-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001573066774 1270587847 /nfs/dbraw/zinc/58/78/47/1270587847.db2.gz BJUFBSHUDIFFJQ-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001580611470 1278569924 /nfs/dbraw/zinc/56/99/24/1278569924.db2.gz KQTLGHAWCPKXDT-MRXNPFEDSA-N 1 3 352.479 0.404 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596085 1271397653 /nfs/dbraw/zinc/39/76/53/1271397653.db2.gz HVTDGTFZHVVAGB-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596085 1271397659 /nfs/dbraw/zinc/39/76/59/1271397659.db2.gz HVTDGTFZHVVAGB-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596085 1271397668 /nfs/dbraw/zinc/39/76/68/1271397668.db2.gz HVTDGTFZHVVAGB-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596085 1271397671 /nfs/dbraw/zinc/39/76/71/1271397671.db2.gz HVTDGTFZHVVAGB-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598412 1271402071 /nfs/dbraw/zinc/40/20/71/1271402071.db2.gz QJKMWLZKIZYRDW-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598412 1271402075 /nfs/dbraw/zinc/40/20/75/1271402075.db2.gz QJKMWLZKIZYRDW-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598412 1271402080 /nfs/dbraw/zinc/40/20/80/1271402080.db2.gz QJKMWLZKIZYRDW-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598412 1271402085 /nfs/dbraw/zinc/40/20/85/1271402085.db2.gz QJKMWLZKIZYRDW-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574886654 1271646690 /nfs/dbraw/zinc/64/66/90/1271646690.db2.gz NQNSCAOUCQBSJY-DYVFJYSZSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574886654 1271646694 /nfs/dbraw/zinc/64/66/94/1271646694.db2.gz NQNSCAOUCQBSJY-DYVFJYSZSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567128 1272203096 /nfs/dbraw/zinc/20/30/96/1272203096.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 1 3 364.494 0.238 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567128 1272203102 /nfs/dbraw/zinc/20/31/02/1272203102.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 1 3 364.494 0.238 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567128 1272203107 /nfs/dbraw/zinc/20/31/07/1272203107.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 1 3 364.494 0.238 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567128 1272203112 /nfs/dbraw/zinc/20/31/12/1272203112.db2.gz RBTFTCOVGAWRDB-HNNXBMFYSA-N 1 3 364.494 0.238 20 0 FCADHO CC[C@H](C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)[NH+](CC)CC ZINC001576484007 1273327455 /nfs/dbraw/zinc/32/74/55/1273327455.db2.gz YINORSSIRZKJJC-MRXNPFEDSA-N 1 3 374.493 0.983 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2CCCCC[C@@H](NCc3cn[nH]n3)C2)cn1 ZINC001576749277 1273619097 /nfs/dbraw/zinc/61/90/97/1273619097.db2.gz CNADIMASSSRQIS-MRXNPFEDSA-N 1 3 374.493 0.737 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2CCCC[C@H]2CNCc2cn[nH]n2)cn1 ZINC001576749407 1273619308 /nfs/dbraw/zinc/61/93/08/1273619308.db2.gz DFYLMPQMRHUSHW-INIZCTEOSA-N 1 3 360.466 0.347 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902198 1273906750 /nfs/dbraw/zinc/90/67/50/1273906750.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 1 3 364.494 0.165 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902198 1273906757 /nfs/dbraw/zinc/90/67/57/1273906757.db2.gz CCNUUXNAIWXHNQ-FUHWJXTLSA-N 1 3 364.494 0.165 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCc2c[nH]nn2)cc1 ZINC001577075456 1274135619 /nfs/dbraw/zinc/13/56/19/1274135619.db2.gz JWNQQYNRNNJACN-ZWKOTPCHSA-N 1 3 372.473 0.849 20 0 FCADHO CC[C@H]([NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577139188 1274190801 /nfs/dbraw/zinc/19/08/01/1274190801.db2.gz SOWWXAQOFRAYJE-UONOGXRCSA-N 1 3 363.510 0.887 20 0 FCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCc3cn[nH]n3)C2)CC1 ZINC001577758388 1274841371 /nfs/dbraw/zinc/84/13/71/1274841371.db2.gz LSVZNGOZIMXKMV-QGZVFWFLSA-N 1 3 358.490 0.613 20 0 FCADHO CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001577865326 1275040294 /nfs/dbraw/zinc/04/02/94/1275040294.db2.gz JWXKHTNBBMMGGT-KKUMJFAQSA-N 1 3 363.510 0.758 20 0 FCADHO O=C(CN1CCCC1)N1C[C@H](C[NH2+]CCc2cn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001577922627 1275129892 /nfs/dbraw/zinc/12/98/92/1275129892.db2.gz FMXCHCBALSIECI-GXTWGEPZSA-N 1 3 374.411 0.670 20 0 FCADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001578418263 1275787801 /nfs/dbraw/zinc/78/78/01/1275787801.db2.gz BWIDVDFRTIHJDC-MRXNPFEDSA-N 1 3 359.474 0.333 20 0 FCADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452117 1275850014 /nfs/dbraw/zinc/85/00/14/1275850014.db2.gz OUDAHGBKJHPKFY-VXGBXAGGSA-N 1 3 350.385 0.279 20 0 FCADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452117 1275850030 /nfs/dbraw/zinc/85/00/30/1275850030.db2.gz OUDAHGBKJHPKFY-VXGBXAGGSA-N 1 3 350.385 0.279 20 0 FCADHO C[NH2+]C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)C1 ZINC001578666477 1276119569 /nfs/dbraw/zinc/11/95/69/1276119569.db2.gz IGTDTVNGHJYOEN-OAHLLOKOSA-N 1 3 363.510 0.558 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578984200 1276550135 /nfs/dbraw/zinc/55/01/35/1276550135.db2.gz WAMWOCWHRZFUDM-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578984200 1276550137 /nfs/dbraw/zinc/55/01/37/1276550137.db2.gz WAMWOCWHRZFUDM-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001578987450 1276557329 /nfs/dbraw/zinc/55/73/29/1276557329.db2.gz DOJZLIPQRACHQD-QLPKVWCKSA-N 1 3 355.446 0.365 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001578987450 1276557335 /nfs/dbraw/zinc/55/73/35/1276557335.db2.gz DOJZLIPQRACHQD-QLPKVWCKSA-N 1 3 355.446 0.365 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578988219 1276562150 /nfs/dbraw/zinc/56/21/50/1276562150.db2.gz RYLYNDSEQANSCK-CTYIDZIISA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578988219 1276562159 /nfs/dbraw/zinc/56/21/59/1276562159.db2.gz RYLYNDSEQANSCK-CTYIDZIISA-N 1 3 357.462 0.803 20 0 FCADHO COc1cc(CN[C@H]2CC(=O)N(C3C[NH2+]C3)C2)ccc1OC(=O)C1CC1 ZINC001579153046 1276893081 /nfs/dbraw/zinc/89/30/81/1276893081.db2.gz QBACCCIBOJPOAP-AWEZNQCLSA-N 1 3 359.426 0.673 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1C ZINC001579246885 1277046108 /nfs/dbraw/zinc/04/61/08/1277046108.db2.gz NUJPTYJZGKTWJK-JLOCXQCDSA-N 1 3 364.534 0.878 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1C ZINC001579246885 1277046116 /nfs/dbraw/zinc/04/61/16/1277046116.db2.gz NUJPTYJZGKTWJK-JLOCXQCDSA-N 1 3 364.534 0.878 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325689 1277145556 /nfs/dbraw/zinc/14/55/56/1277145556.db2.gz FGWOPKCOLTVPIQ-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325689 1277145561 /nfs/dbraw/zinc/14/55/61/1277145561.db2.gz FGWOPKCOLTVPIQ-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001579325894 1277147596 /nfs/dbraw/zinc/14/75/96/1277147596.db2.gz GFLCXHFDFGACDP-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327922 1277157518 /nfs/dbraw/zinc/15/75/18/1277157518.db2.gz ZHAXXRRGPHBTDX-HOTGVXAUSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327922 1277157519 /nfs/dbraw/zinc/15/75/19/1277157519.db2.gz ZHAXXRRGPHBTDX-HOTGVXAUSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335800 1277177105 /nfs/dbraw/zinc/17/71/05/1277177105.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335800 1277177108 /nfs/dbraw/zinc/17/71/08/1277177108.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335800 1277177112 /nfs/dbraw/zinc/17/71/12/1277177112.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335800 1277177114 /nfs/dbraw/zinc/17/71/14/1277177114.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335800 1277177117 /nfs/dbraw/zinc/17/71/17/1277177117.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335800 1277177118 /nfs/dbraw/zinc/17/71/18/1277177118.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335800 1277177121 /nfs/dbraw/zinc/17/71/21/1277177121.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335800 1277177123 /nfs/dbraw/zinc/17/71/23/1277177123.db2.gz VLRRCDSXHOTVLN-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C[C@@H]1C(F)(F)F ZINC001580274710 1278070434 /nfs/dbraw/zinc/07/04/34/1278070434.db2.gz BTEVCSDDDLTYMB-AGIUHOORSA-N 1 3 355.426 0.871 20 0 FCADHO Cc1cc(N[C@@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991415 1279194625 /nfs/dbraw/zinc/19/46/25/1279194625.db2.gz OQFWJEJYACMHCU-OLZOCXBDSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(N[C@@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991415 1279194632 /nfs/dbraw/zinc/19/46/32/1279194632.db2.gz OQFWJEJYACMHCU-OLZOCXBDSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(N[C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994878 1279203601 /nfs/dbraw/zinc/20/36/01/1279203601.db2.gz RZFYOMLDQKUZLI-TZMCWYRMSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(N[C@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994878 1279203611 /nfs/dbraw/zinc/20/36/11/1279203611.db2.gz RZFYOMLDQKUZLI-TZMCWYRMSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(NC[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581009997 1279236045 /nfs/dbraw/zinc/23/60/45/1279236045.db2.gz BHIUIRFLTIZKLK-LRDDRELGSA-N 1 3 374.493 0.742 20 0 FCADHO Cc1cc(NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027803 1279263371 /nfs/dbraw/zinc/26/33/71/1279263371.db2.gz XUPBPGBBUHPKTL-HNNXBMFYSA-N 1 3 360.466 0.449 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C2CCCCC2)CC[N@@H+]1C ZINC001715587261 1287356529 /nfs/dbraw/zinc/35/65/29/1287356529.db2.gz SYFOAOHLDBDOQN-DJIMGWMZSA-N 1 3 368.522 0.184 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C2CCCCC2)CC[N@H+]1C ZINC001715587261 1287356532 /nfs/dbraw/zinc/35/65/32/1287356532.db2.gz SYFOAOHLDBDOQN-DJIMGWMZSA-N 1 3 368.522 0.184 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NCc3ccco3)CCC2)CC[N@@H+]1C ZINC001717151355 1287408735 /nfs/dbraw/zinc/40/87/35/1287408735.db2.gz KVAIWZKMDVZBSG-GDBMZVCRSA-N 1 3 362.474 0.865 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NCc3ccco3)CCC2)CC[N@H+]1C ZINC001717151355 1287408741 /nfs/dbraw/zinc/40/87/41/1287408741.db2.gz KVAIWZKMDVZBSG-GDBMZVCRSA-N 1 3 362.474 0.865 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717701176 1287431998 /nfs/dbraw/zinc/43/19/98/1287431998.db2.gz UWUKZINDRRGHOW-VNHYZAJKSA-N 1 3 367.494 0.094 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717701176 1287432008 /nfs/dbraw/zinc/43/20/08/1287432008.db2.gz UWUKZINDRRGHOW-VNHYZAJKSA-N 1 3 367.494 0.094 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C12CC[NH+](CC1)C2 ZINC001591104047 1284175787 /nfs/dbraw/zinc/17/57/87/1284175787.db2.gz FVOBYUFIADADKP-UHFFFAOYSA-N 1 3 355.446 0.511 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C12CC[NH+](CC1)C2 ZINC001591104047 1284175792 /nfs/dbraw/zinc/17/57/92/1284175792.db2.gz FVOBYUFIADADKP-UHFFFAOYSA-N 1 3 355.446 0.511 20 0 FCADHO C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001591176023 1284267069 /nfs/dbraw/zinc/26/70/69/1284267069.db2.gz HAZWNTAKRQMLAE-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO COC(=O)c1cccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1-c1nnn[n-]1 ZINC001591300053 1284453315 /nfs/dbraw/zinc/45/33/15/1284453315.db2.gz YQYCSOALUMCHDE-UHFFFAOYSA-N 1 3 374.445 0.542 20 0 FCADHO COc1ccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)cc1-c1nnn[n-]1 ZINC001591599732 1284762366 /nfs/dbraw/zinc/76/23/66/1284762366.db2.gz PLBRVTBLVJDKOQ-UHFFFAOYSA-N 1 3 371.445 0.177 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001604854677 1287799675 /nfs/dbraw/zinc/79/96/75/1287799675.db2.gz RCJVGKKFXXKBMD-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001604854677 1287799681 /nfs/dbraw/zinc/79/96/81/1287799681.db2.gz RCJVGKKFXXKBMD-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001604854677 1287799685 /nfs/dbraw/zinc/79/96/85/1287799685.db2.gz RCJVGKKFXXKBMD-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001604854677 1287799691 /nfs/dbraw/zinc/79/96/91/1287799691.db2.gz RCJVGKKFXXKBMD-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001724786370 1288450129 /nfs/dbraw/zinc/45/01/29/1288450129.db2.gz PMWQHYPAPDSBBM-MGPQQGTHSA-N 1 3 367.494 0.189 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001724786370 1288450133 /nfs/dbraw/zinc/45/01/33/1288450133.db2.gz PMWQHYPAPDSBBM-MGPQQGTHSA-N 1 3 367.494 0.189 20 0 FCADHO C[C@@H](F)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001691907113 1289339563 /nfs/dbraw/zinc/33/95/63/1289339563.db2.gz GMTWXDQJIIDMTD-YRGRVCCFSA-N 1 3 353.442 0.976 20 0 FCADHO C[C@@H](F)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001691907113 1289339569 /nfs/dbraw/zinc/33/95/69/1289339569.db2.gz GMTWXDQJIIDMTD-YRGRVCCFSA-N 1 3 353.442 0.976 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001739447529 1290010412 /nfs/dbraw/zinc/01/04/12/1290010412.db2.gz BIVRROLGOJLNCP-IXDOHACOSA-N 1 3 368.522 0.281 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001739447529 1290010423 /nfs/dbraw/zinc/01/04/23/1290010423.db2.gz BIVRROLGOJLNCP-IXDOHACOSA-N 1 3 368.522 0.281 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001628009688 1290501153 /nfs/dbraw/zinc/50/11/53/1290501153.db2.gz PNFRRLADQXCNCK-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001628009688 1290501158 /nfs/dbraw/zinc/50/11/58/1290501158.db2.gz PNFRRLADQXCNCK-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(=O)N(C)C2CC2)C2CC2)CC[N@@H+]1C ZINC001754441861 1290627977 /nfs/dbraw/zinc/62/79/77/1290627977.db2.gz SASVVMUDYXOQKI-GVDBMIGSSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(=O)N(C)C2CC2)C2CC2)CC[N@H+]1C ZINC001754441861 1290627988 /nfs/dbraw/zinc/62/79/88/1290627988.db2.gz SASVVMUDYXOQKI-GVDBMIGSSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)C1 ZINC001689231414 1294687417 /nfs/dbraw/zinc/68/74/17/1294687417.db2.gz DZXWVPKKUWDUDS-NXHRZFHOSA-N 1 3 362.518 0.635 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)C1 ZINC001689231414 1294687434 /nfs/dbraw/zinc/68/74/34/1294687434.db2.gz DZXWVPKKUWDUDS-NXHRZFHOSA-N 1 3 362.518 0.635 20 0 FCADHO c1ncc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)cn1 ZINC001164741509 720610293 /nfs/dbraw/zinc/61/02/93/720610293.db2.gz LIMZNRLFWRFZFL-CABCVRRESA-N 1 3 367.457 0.297 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071106711 837735402 /nfs/dbraw/zinc/73/54/02/837735402.db2.gz QODZLWSYEZGBAZ-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101443296 844186779 /nfs/dbraw/zinc/18/67/79/844186779.db2.gz DOISKYGHSQBTIM-QAPCUYQASA-N 1 3 351.495 0.134 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101443296 844186780 /nfs/dbraw/zinc/18/67/80/844186780.db2.gz DOISKYGHSQBTIM-QAPCUYQASA-N 1 3 351.495 0.134 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476123 844200115 /nfs/dbraw/zinc/20/01/15/844200115.db2.gz CXBYDLOYBRPBIR-LMMKCTJWSA-N 1 3 353.507 0.650 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476123 844200122 /nfs/dbraw/zinc/20/01/22/844200122.db2.gz CXBYDLOYBRPBIR-LMMKCTJWSA-N 1 3 353.507 0.650 20 0 FCADHO CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478593 844204265 /nfs/dbraw/zinc/20/42/65/844204265.db2.gz WACFVHOZCAOYAP-GJYPPUQNSA-N 1 3 350.507 0.728 20 0 FCADHO CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478593 844204271 /nfs/dbraw/zinc/20/42/71/844204271.db2.gz WACFVHOZCAOYAP-GJYPPUQNSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077023528 838222411 /nfs/dbraw/zinc/22/24/11/838222411.db2.gz FEFJNRWZJBDALK-VDHUWJSZSA-N 1 3 353.507 0.695 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001077023528 838222423 /nfs/dbraw/zinc/22/24/23/838222423.db2.gz FEFJNRWZJBDALK-VDHUWJSZSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975825 844356973 /nfs/dbraw/zinc/35/69/73/844356973.db2.gz CPLRRBYTBXDAOI-OIISXLGYSA-N 1 3 350.507 0.537 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046077 844393908 /nfs/dbraw/zinc/39/39/08/844393908.db2.gz LKIAZTMRIGDOIQ-HUUCEWRRSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046077 844393919 /nfs/dbraw/zinc/39/39/19/844393919.db2.gz LKIAZTMRIGDOIQ-HUUCEWRRSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059578 844399676 /nfs/dbraw/zinc/39/96/76/844399676.db2.gz VWUCHVUUMLRHCH-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059578 844399681 /nfs/dbraw/zinc/39/96/81/844399681.db2.gz VWUCHVUUMLRHCH-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001102071122 844404520 /nfs/dbraw/zinc/40/45/20/844404520.db2.gz FIQHKGNYTQBIJQ-OAGGEKHMSA-N 1 3 353.511 0.282 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001102071122 844404522 /nfs/dbraw/zinc/40/45/22/844404522.db2.gz FIQHKGNYTQBIJQ-OAGGEKHMSA-N 1 3 353.511 0.282 20 0 FCADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n[nH]1 ZINC001078404980 839458551 /nfs/dbraw/zinc/45/85/51/839458551.db2.gz AQENATXDODWBJF-VHDGCEQUSA-N 1 3 350.467 0.160 20 0 FCADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n[nH]1 ZINC001078404980 839458555 /nfs/dbraw/zinc/45/85/55/839458555.db2.gz AQENATXDODWBJF-VHDGCEQUSA-N 1 3 350.467 0.160 20 0 FCADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079966936 839634187 /nfs/dbraw/zinc/63/41/87/839634187.db2.gz PAZCWJXUQBXANH-RHSMWYFYSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079966936 839634191 /nfs/dbraw/zinc/63/41/91/839634191.db2.gz PAZCWJXUQBXANH-RHSMWYFYSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319061 844465733 /nfs/dbraw/zinc/46/57/33/844465733.db2.gz XCWPWTUUBMUOJI-GVDBMIGSSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102366397 844476025 /nfs/dbraw/zinc/47/60/25/844476025.db2.gz CZQLOGKRLCNRLB-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102366397 844476029 /nfs/dbraw/zinc/47/60/29/844476029.db2.gz CZQLOGKRLCNRLB-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102427082 844496278 /nfs/dbraw/zinc/49/62/78/844496278.db2.gz AMAZFLNJDOPXFP-KURKYZTESA-N 1 3 355.523 0.942 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102427082 844496283 /nfs/dbraw/zinc/49/62/83/844496283.db2.gz AMAZFLNJDOPXFP-KURKYZTESA-N 1 3 355.523 0.942 20 0 FCADHO CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894934 840091476 /nfs/dbraw/zinc/09/14/76/840091476.db2.gz KDBFGOXRYOMZFO-GVDBMIGSSA-N 1 3 351.491 0.999 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082511844 840444402 /nfs/dbraw/zinc/44/44/02/840444402.db2.gz UBHPZFRYHSJEGD-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082699511 840529076 /nfs/dbraw/zinc/52/90/76/840529076.db2.gz BOWQGJMUFJZHGQ-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082699511 840529081 /nfs/dbraw/zinc/52/90/81/840529081.db2.gz BOWQGJMUFJZHGQ-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082766688 840548980 /nfs/dbraw/zinc/54/89/80/840548980.db2.gz RQHGMGRQMRLBPS-UMVBOHGHSA-N 1 3 354.476 0.214 20 0 FCADHO C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599189 844589218 /nfs/dbraw/zinc/58/92/18/844589218.db2.gz SQHRPEXTBUWDMQ-ZACQAIPSSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594171 841213187 /nfs/dbraw/zinc/21/31/87/841213187.db2.gz PHCHTEPWDKYVSL-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594171 841213196 /nfs/dbraw/zinc/21/31/96/841213196.db2.gz PHCHTEPWDKYVSL-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654974 841281657 /nfs/dbraw/zinc/28/16/57/841281657.db2.gz OXUPGZGWHMSIKX-UGLNBPRTSA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654974 841281664 /nfs/dbraw/zinc/28/16/64/841281664.db2.gz OXUPGZGWHMSIKX-UGLNBPRTSA-N 1 3 351.491 0.447 20 0 FCADHO CN(C)CCN1C(=O)COCC12CN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001275862550 861230811 /nfs/dbraw/zinc/23/08/11/861230811.db2.gz KTICHBQJVLSMFL-UHFFFAOYSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)CC1(C[N@@H+]2CC[C@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862472 861231037 /nfs/dbraw/zinc/23/10/37/861231037.db2.gz HZFVVXVDLCMLQU-IBGZPJMESA-N 1 3 351.491 0.811 20 0 FCADHO CN(C)CC1(C[N@H+]2CC[C@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862472 861231055 /nfs/dbraw/zinc/23/10/55/861231055.db2.gz HZFVVXVDLCMLQU-IBGZPJMESA-N 1 3 351.491 0.811 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ocnc1C ZINC001087101009 842289998 /nfs/dbraw/zinc/28/99/98/842289998.db2.gz PBCADUSCCIAOLF-BFYDXBDKSA-N 1 3 350.463 0.888 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ocnc1C ZINC001087101009 842290009 /nfs/dbraw/zinc/29/00/09/842290009.db2.gz PBCADUSCCIAOLF-BFYDXBDKSA-N 1 3 350.463 0.888 20 0 FCADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001087208165 842319478 /nfs/dbraw/zinc/31/94/78/842319478.db2.gz QGCSBJWPNUYIHA-PVAVHDDUSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCCC2)C1=O ZINC001087245805 842323378 /nfs/dbraw/zinc/32/33/78/842323378.db2.gz LPFMJEXKSYHSTR-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCN1CCNC1=O ZINC001087578477 842362339 /nfs/dbraw/zinc/36/23/39/842362339.db2.gz XVOHFFOUKWYMKH-LVQVYYBASA-N 1 3 351.495 0.321 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCN1CCNC1=O ZINC001087578477 842362354 /nfs/dbraw/zinc/36/23/54/842362354.db2.gz XVOHFFOUKWYMKH-LVQVYYBASA-N 1 3 351.495 0.321 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1)N(C)C ZINC001276049794 861303603 /nfs/dbraw/zinc/30/36/03/861303603.db2.gz SJKOMGZIUVDWIB-ZSZQSSIHSA-N 1 3 350.507 0.774 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1)N(C)C ZINC001276049793 861303939 /nfs/dbraw/zinc/30/39/39/861303939.db2.gz SJKOMGZIUVDWIB-OGWOLHLISA-N 1 3 350.507 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941351 842776193 /nfs/dbraw/zinc/77/61/93/842776193.db2.gz HEIDYHCTCGQIOY-IXDOHACOSA-N 1 3 353.507 0.696 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CCO)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941351 842776198 /nfs/dbraw/zinc/77/61/98/842776198.db2.gz HEIDYHCTCGQIOY-IXDOHACOSA-N 1 3 353.507 0.696 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910170 843122777 /nfs/dbraw/zinc/12/27/77/843122777.db2.gz KPXRIJZLAUYFLG-VCBZYWHSSA-N 1 3 350.507 0.905 20 0 FCADHO C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133474 843398049 /nfs/dbraw/zinc/39/80/49/843398049.db2.gz HGWWKNXNSNNCCF-BZUAXINKSA-N 1 3 369.531 0.201 20 0 FCADHO CC(C)[C@@H]1N(C(=O)C2(N(C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448541 843433981 /nfs/dbraw/zinc/43/39/81/843433981.db2.gz APTYFTYUJSDOIO-CBZIJGRNSA-N 1 3 353.507 0.429 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451298 843435321 /nfs/dbraw/zinc/43/53/21/843435321.db2.gz SNJDBZAYLIXDJI-ZAWLATJESA-N 1 3 353.507 0.429 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093820539 843474369 /nfs/dbraw/zinc/47/43/69/843474369.db2.gz LUPAVOXNJLZGCI-BZUAXINKSA-N 1 3 371.547 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093825627 843475679 /nfs/dbraw/zinc/47/56/79/843475679.db2.gz MXNVLPOSBYQWEO-OWCLPIDISA-N 1 3 371.547 0.590 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099030868 843957387 /nfs/dbraw/zinc/95/73/87/843957387.db2.gz HDGYPJMJOHBCLW-DOXZYTNZSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099030868 843957390 /nfs/dbraw/zinc/95/73/90/843957390.db2.gz HDGYPJMJOHBCLW-DOXZYTNZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782816 844647903 /nfs/dbraw/zinc/64/79/03/844647903.db2.gz QJTYDRDTMHNQGP-OIISXLGYSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782816 844647907 /nfs/dbraw/zinc/64/79/07/844647907.db2.gz QJTYDRDTMHNQGP-OIISXLGYSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001103435957 844757324 /nfs/dbraw/zinc/75/73/24/844757324.db2.gz FUGAAEQIAQCEOC-LBTNJELSSA-N 1 3 356.486 0.758 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001103435957 844757329 /nfs/dbraw/zinc/75/73/29/844757329.db2.gz FUGAAEQIAQCEOC-LBTNJELSSA-N 1 3 356.486 0.758 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104288347 844890419 /nfs/dbraw/zinc/89/04/19/844890419.db2.gz WDGGPWQRYOASHW-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291074 844891495 /nfs/dbraw/zinc/89/14/95/844891495.db2.gz IILUILDONVTXTI-QGPMSJSTSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001104322396 844894135 /nfs/dbraw/zinc/89/41/35/844894135.db2.gz HAQGIIAJQHGMOF-OAGGEKHMSA-N 1 3 361.552 0.691 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCCO ZINC001104433507 844910813 /nfs/dbraw/zinc/91/08/13/844910813.db2.gz HMLAHILRAKOMQZ-LDBBTLTOSA-N 1 3 351.491 0.306 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104809869 844946180 /nfs/dbraw/zinc/94/61/80/844946180.db2.gz STCJXGRMERIKNQ-HZPDHXFCSA-N 1 3 353.511 0.428 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105066679 844977284 /nfs/dbraw/zinc/97/72/84/844977284.db2.gz BHLKGYAKLKNAIH-KZNAEPCWSA-N 1 3 355.523 0.944 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105664156 845012231 /nfs/dbraw/zinc/01/22/31/845012231.db2.gz WXUPUXSECOBZDV-PSBWJHGTSA-N 1 3 355.523 0.941 20 0 FCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106248567 845143072 /nfs/dbraw/zinc/14/30/72/845143072.db2.gz SWHNGJVERINQKP-QLFBSQMISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001106666323 845218320 /nfs/dbraw/zinc/21/83/20/845218320.db2.gz KPCXJBWSCDQRPW-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666253 845219256 /nfs/dbraw/zinc/21/92/56/845219256.db2.gz IBYUPSFNLOPKSH-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666922 845220451 /nfs/dbraw/zinc/22/04/51/845220451.db2.gz ZZUCJEQASJFOOG-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106704976 845229107 /nfs/dbraw/zinc/22/91/07/845229107.db2.gz LLRSVLYSDPYWOG-GHMZBOCLSA-N 1 3 361.368 0.315 20 0 FCADHO CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705065 845229417 /nfs/dbraw/zinc/22/94/17/845229417.db2.gz PYYIDPVBWMVTCP-ZIAGYGMSSA-N 1 3 356.492 0.461 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106729450 845235667 /nfs/dbraw/zinc/23/56/67/845235667.db2.gz RDHXJVSFMQTBPC-KURKYZTESA-N 1 3 355.523 0.942 20 0 FCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797092 845255753 /nfs/dbraw/zinc/25/57/53/845255753.db2.gz ICLUKBULVPMXMV-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106840194 845265732 /nfs/dbraw/zinc/26/57/32/845265732.db2.gz CPVNWBAHZXHMPT-CHWSQXEVSA-N 1 3 368.507 0.503 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106840194 845265741 /nfs/dbraw/zinc/26/57/41/845265741.db2.gz CPVNWBAHZXHMPT-CHWSQXEVSA-N 1 3 368.507 0.503 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042454 845317334 /nfs/dbraw/zinc/31/73/34/845317334.db2.gz NDOAAQOEMZFYSH-HZPDHXFCSA-N 1 3 355.527 0.718 20 0 FCADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)CCC1 ZINC001107436827 845373040 /nfs/dbraw/zinc/37/30/40/845373040.db2.gz SENWWCFPVTZPEG-SJLPKXTDSA-N 1 3 353.507 0.840 20 0 FCADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)CCC1 ZINC001107436827 845373043 /nfs/dbraw/zinc/37/30/43/845373043.db2.gz SENWWCFPVTZPEG-SJLPKXTDSA-N 1 3 353.507 0.840 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444729 845374463 /nfs/dbraw/zinc/37/44/63/845374463.db2.gz YKXCXSZFINIYRC-MJQMVNBJSA-N 1 3 355.523 0.941 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444729 845374464 /nfs/dbraw/zinc/37/44/64/845374464.db2.gz YKXCXSZFINIYRC-MJQMVNBJSA-N 1 3 355.523 0.941 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CC(=O)N1CCCC1)CC2 ZINC001107530830 845391115 /nfs/dbraw/zinc/39/11/15/845391115.db2.gz OGPBCUAPWBXLRA-VQIMIIECSA-N 1 3 350.507 0.921 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CCNC(=O)C1CC1)CC2 ZINC001107534008 845392890 /nfs/dbraw/zinc/39/28/90/845392890.db2.gz RXHHARNHEYNEAK-VQIMIIECSA-N 1 3 350.507 0.825 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621466 845408918 /nfs/dbraw/zinc/40/89/18/845408918.db2.gz PKLNGUZCVBDNPV-QGPMSJSTSA-N 1 3 350.463 0.629 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621466 845408921 /nfs/dbraw/zinc/40/89/21/845408921.db2.gz PKLNGUZCVBDNPV-QGPMSJSTSA-N 1 3 350.463 0.629 20 0 FCADHO CCN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632084 845411602 /nfs/dbraw/zinc/41/16/02/845411602.db2.gz PTGKJUNRPYZAIX-GPMSIDNRSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632084 845411608 /nfs/dbraw/zinc/41/16/08/845411608.db2.gz PTGKJUNRPYZAIX-GPMSIDNRSA-N 1 3 350.507 0.777 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115161 845798420 /nfs/dbraw/zinc/79/84/20/845798420.db2.gz QFNMEZBJFCMGQL-BDXSIMOUSA-N 1 3 353.507 0.981 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188658 845817357 /nfs/dbraw/zinc/81/73/57/845817357.db2.gz KXUQBJKOZRLHNN-OWSLCNJRSA-N 1 3 353.507 0.981 20 0 FCADHO CCOC(=O)C[C@H](O)CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276829915 861642555 /nfs/dbraw/zinc/64/25/55/861642555.db2.gz YTKMKQLITYBMPX-GJZGRUSLSA-N 1 3 355.479 0.080 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CC[N@@H+]1C ZINC001112103420 846383328 /nfs/dbraw/zinc/38/33/28/846383328.db2.gz FKFDMQSOPCPYNY-AAVRWANBSA-N 1 3 367.412 0.314 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CC[N@H+]1C ZINC001112103420 846383343 /nfs/dbraw/zinc/38/33/43/846383343.db2.gz FKFDMQSOPCPYNY-AAVRWANBSA-N 1 3 367.412 0.314 20 0 FCADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1)C1CC1 ZINC001112114131 846394239 /nfs/dbraw/zinc/39/42/39/846394239.db2.gz ARBBEXWAJIDQIR-MGPQQGTHSA-N 1 3 367.412 0.314 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112438894 846504722 /nfs/dbraw/zinc/50/47/22/846504722.db2.gz JWZYCVSVXXEAGP-KHYOSLBOSA-N 1 3 350.507 0.824 20 0 FCADHO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524240 846514473 /nfs/dbraw/zinc/51/44/73/846514473.db2.gz CWBUMWJLLFYUEP-BMFAXAFESA-N 1 3 355.523 0.798 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112529612 846515895 /nfs/dbraw/zinc/51/58/95/846515895.db2.gz HUWMLFAKIBJIIX-LNLFQRSKSA-N 1 3 353.507 0.698 20 0 FCADHO C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276960008 861707153 /nfs/dbraw/zinc/70/71/53/861707153.db2.gz NDHJBCLKEQFJAR-IRXDYDNUSA-N 1 3 352.523 0.223 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001117122033 846898901 /nfs/dbraw/zinc/89/89/01/846898901.db2.gz FNRADXBEGDAOKX-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001117122033 846898907 /nfs/dbraw/zinc/89/89/07/846898907.db2.gz FNRADXBEGDAOKX-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CCSC2)C1 ZINC001117858762 847187873 /nfs/dbraw/zinc/18/78/73/847187873.db2.gz QNOHWEWIPQSPRQ-SFHVURJKSA-N 1 3 370.563 0.684 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cn1 ZINC001119764980 847968322 /nfs/dbraw/zinc/96/83/22/847968322.db2.gz DJKSHHAGNAALOO-HZPDHXFCSA-N 1 3 350.467 0.508 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCCN2C)CC1=O ZINC001120810735 848287513 /nfs/dbraw/zinc/28/75/13/848287513.db2.gz VHTZKZCQISNBDR-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCCCN2C)CC1=O ZINC001120810735 848287520 /nfs/dbraw/zinc/28/75/20/848287520.db2.gz VHTZKZCQISNBDR-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129919214 848916050 /nfs/dbraw/zinc/91/60/50/848916050.db2.gz QLNNGDCTAQYYBW-CABCVRRESA-N 1 3 352.483 0.386 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130136943 848950232 /nfs/dbraw/zinc/95/02/32/848950232.db2.gz AGTCNLODNKQMQC-OAGGEKHMSA-N 1 3 352.483 0.121 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130137430 848951486 /nfs/dbraw/zinc/95/14/86/848951486.db2.gz YZUXIXMLDRMYQK-PMPSAXMXSA-N 1 3 352.458 0.854 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130675590 849025975 /nfs/dbraw/zinc/02/59/75/849025975.db2.gz XDGTWMIFZSYZOB-UAGQMJEPSA-N 1 3 351.495 0.681 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cncn1C ZINC001131017629 849071741 /nfs/dbraw/zinc/07/17/41/849071741.db2.gz DFGPUMHSYJDFEW-BZUAXINKSA-N 1 3 351.495 0.681 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131582961 849126810 /nfs/dbraw/zinc/12/68/10/849126810.db2.gz IOTKPRZOECWMQD-LXZKKBNFSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1C1CCCC1 ZINC001154888756 849818884 /nfs/dbraw/zinc/81/88/84/849818884.db2.gz GMRPOCJXUNAOOO-HOTGVXAUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157857000 850000540 /nfs/dbraw/zinc/00/05/40/850000540.db2.gz YTZZOEWEQPXBPD-UGUYLWEFSA-N 1 3 354.495 0.053 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157981700 850009375 /nfs/dbraw/zinc/00/93/75/850009375.db2.gz HDUNQDSOZIFJBE-LBPRGKRZSA-N 1 3 352.401 0.715 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250510 850029325 /nfs/dbraw/zinc/02/93/25/850029325.db2.gz UMJRBQYACGLWMD-LYSPQLLHSA-N 1 3 355.426 0.758 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN(CC)CC)C2 ZINC001158384069 850043547 /nfs/dbraw/zinc/04/35/47/850043547.db2.gz QETXTEKCLQHRTM-LSDHHAIUSA-N 1 3 365.396 0.872 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534793 850059243 /nfs/dbraw/zinc/05/92/43/850059243.db2.gz TYDZEAUFYQDUBI-ZUMXRPEOSA-N 1 3 353.463 0.286 20 0 FCADHO N[C@H](C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158576793 850060205 /nfs/dbraw/zinc/06/02/05/850060205.db2.gz DPKIHNIRVIERNA-KKUMJFAQSA-N 1 3 355.454 0.782 20 0 FCADHO CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001158782553 850075551 /nfs/dbraw/zinc/07/55/51/850075551.db2.gz UZMPVEDKVGIGAB-LBPRGKRZSA-N 1 3 367.519 0.619 20 0 FCADHO CCOC[C@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)Cc2cnn(C)c21 ZINC001159395665 850111085 /nfs/dbraw/zinc/11/10/85/850111085.db2.gz XSGXSBCVMQOEAX-CVEARBPZSA-N 1 3 351.495 0.942 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819198 850138136 /nfs/dbraw/zinc/13/81/36/850138136.db2.gz VWRKNJXJLCNCOM-DZGCQCFKSA-N 1 3 352.479 0.119 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834933 850139674 /nfs/dbraw/zinc/13/96/74/850139674.db2.gz WUHBQMZEWMRRGS-IHRRRGAJSA-N 1 3 369.560 0.585 20 0 FCADHO CS(=O)(=O)N1C[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]2c2ccccc21 ZINC001160201237 850159212 /nfs/dbraw/zinc/15/92/12/850159212.db2.gz DVNFWTCHULRHMN-CFVMTHIKSA-N 1 3 366.487 0.074 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)CC1 ZINC001160483128 850175596 /nfs/dbraw/zinc/17/55/96/850175596.db2.gz OAZYQPRWQRERFR-ZFWWWQNUSA-N 1 3 354.495 0.630 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160507265 850177964 /nfs/dbraw/zinc/17/79/64/850177964.db2.gz WEYFZWIQBMQJJD-NSHDSACASA-N 1 3 359.883 0.519 20 0 FCADHO CC(C)[C@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160669847 850190983 /nfs/dbraw/zinc/19/09/83/850190983.db2.gz NGTKJWMNFNUBIY-HRCADAONSA-N 1 3 354.495 0.317 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]3CCNC[C@H]3F)C[C@H]1C2 ZINC001160795265 850198202 /nfs/dbraw/zinc/19/82/02/850198202.db2.gz VXJSKRJLUPUBLR-RUEXJQGXSA-N 1 3 353.438 0.181 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382242 850256151 /nfs/dbraw/zinc/25/61/51/850256151.db2.gz VVDAKOCRYUIGED-XHSDSOJGSA-N 1 3 354.495 0.188 20 0 FCADHO CN[C@H](C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479637 850262113 /nfs/dbraw/zinc/26/21/13/850262113.db2.gz QFSROTBERLRTHM-KHSSZTOVSA-N 1 3 355.479 0.532 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(C3COC3)C2)CC1 ZINC001277833350 862121197 /nfs/dbraw/zinc/12/11/97/862121197.db2.gz CIQVJSKYAKVDFN-QGZVFWFLSA-N 1 3 353.507 0.793 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169133189 850608348 /nfs/dbraw/zinc/60/83/48/850608348.db2.gz CPZFORLUCRIWMB-QDMKHBRRSA-N 1 3 367.519 0.416 20 0 FCADHO COCCC[NH+]1CCC(NCCOCCOCCOCCOC)CC1 ZINC001172246887 850708306 /nfs/dbraw/zinc/70/83/06/850708306.db2.gz ZAOUVHGNUYRHJP-UHFFFAOYSA-N 1 3 362.511 0.773 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731194 850921835 /nfs/dbraw/zinc/92/18/35/850921835.db2.gz ORUPLFCQCPXEMA-QXSJWSMHSA-N 1 3 354.495 0.058 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731194 850921843 /nfs/dbraw/zinc/92/18/43/850921843.db2.gz ORUPLFCQCPXEMA-QXSJWSMHSA-N 1 3 354.495 0.058 20 0 FCADHO C=C(F)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001180119389 851014667 /nfs/dbraw/zinc/01/46/67/851014667.db2.gz UCKKAZOLOPYRPD-IICXDKKESA-N 1 3 361.458 0.765 20 0 FCADHO CN1CCC(O)(C(=O)N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001182031681 851146253 /nfs/dbraw/zinc/14/62/53/851146253.db2.gz OLFOGRMACTXBAS-HNNXBMFYSA-N 1 3 353.507 0.981 20 0 FCADHO COCCOCCN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944916 851630392 /nfs/dbraw/zinc/63/03/92/851630392.db2.gz OXAMIKUIVNJSQH-OKZBNKHCSA-N 1 3 351.491 0.524 20 0 FCADHO CN(C)C(=O)CN1C[C@H]2C(=O)NC3(CC[NH+](CC(C)(C)C)CC3)[C@@H]2C1 ZINC001278385410 862309959 /nfs/dbraw/zinc/30/99/59/862309959.db2.gz LYJAMXSYOHSPBC-HUUCEWRRSA-N 1 3 350.507 0.633 20 0 FCADHO CSCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001278426144 862322350 /nfs/dbraw/zinc/32/23/50/862322350.db2.gz KIBULSPYEHGYGQ-GJZGRUSLSA-N 1 3 368.547 0.340 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194244697 852564447 /nfs/dbraw/zinc/56/44/47/852564447.db2.gz WNAIPDXGMIJNRN-BRWVUGGUSA-N 1 3 355.523 0.819 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194244697 852564452 /nfs/dbraw/zinc/56/44/52/852564452.db2.gz WNAIPDXGMIJNRN-BRWVUGGUSA-N 1 3 355.523 0.819 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)CCCCC1 ZINC001194960664 852680176 /nfs/dbraw/zinc/68/01/76/852680176.db2.gz BVICPYYEORPQJU-BRWVUGGUSA-N 1 3 353.507 0.696 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001195676768 852810651 /nfs/dbraw/zinc/81/06/51/852810651.db2.gz KEIGBFPBBBTSEL-IXDOHACOSA-N 1 3 353.507 0.431 20 0 FCADHO C[C@H](COCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O)[NH+]1CCCC1 ZINC001196306732 852934839 /nfs/dbraw/zinc/93/48/39/852934839.db2.gz HLKJYUVVHFYHTQ-BRWVUGGUSA-N 1 3 359.486 0.788 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001197826412 853169067 /nfs/dbraw/zinc/16/90/67/853169067.db2.gz WFPDWQDHAKWESR-RBSFLKMASA-N 1 3 363.449 0.551 20 0 FCADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200556485 853502440 /nfs/dbraw/zinc/50/24/40/853502440.db2.gz ZZJMQUVAJKTIEZ-HRCADAONSA-N 1 3 354.495 0.060 20 0 FCADHO CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556485 853502447 /nfs/dbraw/zinc/50/24/47/853502447.db2.gz ZZJMQUVAJKTIEZ-HRCADAONSA-N 1 3 354.495 0.060 20 0 FCADHO COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036471 853884722 /nfs/dbraw/zinc/88/47/22/853884722.db2.gz MCNWQJCBUPMJRT-QCZOYZIOSA-N 1 3 351.491 0.713 20 0 FCADHO COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036471 853884727 /nfs/dbraw/zinc/88/47/27/853884727.db2.gz MCNWQJCBUPMJRT-QCZOYZIOSA-N 1 3 351.491 0.713 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001208073255 853891319 /nfs/dbraw/zinc/89/13/19/853891319.db2.gz GIIPEBFNPVOIBW-BHYGNILZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001208073255 853891327 /nfs/dbraw/zinc/89/13/27/853891327.db2.gz GIIPEBFNPVOIBW-BHYGNILZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496101 853942858 /nfs/dbraw/zinc/94/28/58/853942858.db2.gz JQTXDGNMGKGXBM-BFYDXBDKSA-N 1 3 353.463 0.545 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530458 853946647 /nfs/dbraw/zinc/94/66/47/853946647.db2.gz WIIZFSSBRPYHIS-DJIMGWMZSA-N 1 3 356.511 0.162 20 0 FCADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426516 854108275 /nfs/dbraw/zinc/10/82/75/854108275.db2.gz HDTHTHGHFURVHB-BRWVUGGUSA-N 1 3 359.511 0.179 20 0 FCADHO CO[C@@H]1CN(CCc2cccs2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730108 854739717 /nfs/dbraw/zinc/73/97/17/854739717.db2.gz FADPZVRFOOYAOG-HZPDHXFCSA-N 1 3 355.504 0.684 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001214757285 855003497 /nfs/dbraw/zinc/00/34/97/855003497.db2.gz HGZXJMPRNVMCHZ-BZUAXINKSA-N 1 3 358.502 0.970 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001214845548 855021767 /nfs/dbraw/zinc/02/17/67/855021767.db2.gz YRRYGIVIIZJGKP-BFYDXBDKSA-N 1 3 350.507 0.679 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001214845548 855021774 /nfs/dbraw/zinc/02/17/74/855021774.db2.gz YRRYGIVIIZJGKP-BFYDXBDKSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H](C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214863853 855025709 /nfs/dbraw/zinc/02/57/09/855025709.db2.gz ZEXDRKNKWUJELX-SQWLQELKSA-N 1 3 359.536 0.588 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214905078 855030971 /nfs/dbraw/zinc/03/09/71/855030971.db2.gz XHXNRYIOVFYYTK-INMHGKMJSA-N 1 3 356.511 0.162 20 0 FCADHO C[C@H](NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001215453432 855117316 /nfs/dbraw/zinc/11/73/16/855117316.db2.gz AVRCGUQLOPJSKX-JKIFEVAISA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215536116 855126246 /nfs/dbraw/zinc/12/62/46/855126246.db2.gz JAPVEDTXZZPANY-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C)C1CC1 ZINC001215540322 855126702 /nfs/dbraw/zinc/12/67/02/855126702.db2.gz LUQBSVVVZNQWNP-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215994095 855162826 /nfs/dbraw/zinc/16/28/26/855162826.db2.gz PRMQPBSIKPRVQD-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CC(C)[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401680 855199093 /nfs/dbraw/zinc/19/90/93/855199093.db2.gz OYGJQLSDAJTYRS-BZUAXINKSA-N 1 3 356.511 0.162 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@@H]1C ZINC001217988411 855389098 /nfs/dbraw/zinc/38/90/98/855389098.db2.gz OIMSTTGKSALWFB-QWRGUYRKSA-N 1 3 352.435 0.528 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218471278 855428305 /nfs/dbraw/zinc/42/83/05/855428305.db2.gz FYGNLXKFWWQFCJ-HBNTYKKESA-N 1 3 350.419 0.138 20 0 FCADHO Nc1ccc(I)c(NC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218505975 855431038 /nfs/dbraw/zinc/43/10/38/855431038.db2.gz PPEVSJLXXPJRSU-QMMMGPOBSA-N 1 3 363.203 0.663 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H]3CN(CC[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001218550884 855438317 /nfs/dbraw/zinc/43/83/17/855438317.db2.gz RUWYTIAXPKIXIW-YESZJQIVSA-N 1 3 351.491 0.666 20 0 FCADHO Nc1cn(C(=O)[C@@H]2C[C@@H](F)CCN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218622734 855452001 /nfs/dbraw/zinc/45/20/01/855452001.db2.gz UPALAOGOMKMXPF-BBRMVZONSA-N 1 3 351.426 0.034 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]21 ZINC001218971297 855505413 /nfs/dbraw/zinc/50/54/13/855505413.db2.gz XDODNJRNRMVQDZ-IXDOHACOSA-N 1 3 355.479 0.045 20 0 FCADHO CCc1cc(S(C)(=O)=O)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219175018 855573137 /nfs/dbraw/zinc/57/31/37/855573137.db2.gz UILVCSMIFSEBFQ-CXAGYDPISA-N 1 3 351.472 0.790 20 0 FCADHO N[C@H](C(=O)NC1CCN(c2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001219565955 855716373 /nfs/dbraw/zinc/71/63/73/855716373.db2.gz QPQICCDWKMLLGU-HNNXBMFYSA-N 1 3 352.870 0.542 20 0 FCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219922741 855879565 /nfs/dbraw/zinc/87/95/65/855879565.db2.gz DTNDMEMYHGJSJX-OIISXLGYSA-N 1 3 353.507 0.837 20 0 FCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219922741 855879572 /nfs/dbraw/zinc/87/95/72/855879572.db2.gz DTNDMEMYHGJSJX-OIISXLGYSA-N 1 3 353.507 0.837 20 0 FCADHO CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034355 855928700 /nfs/dbraw/zinc/92/87/00/855928700.db2.gz RXTMNLACVNMOGS-ASLPWWTFSA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034355 855928704 /nfs/dbraw/zinc/92/87/04/855928704.db2.gz RXTMNLACVNMOGS-ASLPWWTFSA-N 1 3 351.491 0.447 20 0 FCADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220565668 856186997 /nfs/dbraw/zinc/18/69/97/856186997.db2.gz OUBKVYHFOJVNIB-HOTGVXAUSA-N 1 3 350.463 0.731 20 0 FCADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220583480 856193552 /nfs/dbraw/zinc/19/35/52/856193552.db2.gz MOHDVABFOWOYAT-CYBMUJFWSA-N 1 3 361.364 0.926 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607898 856204337 /nfs/dbraw/zinc/20/43/37/856204337.db2.gz PLVZWIIVCTZGKK-NWDGAFQWSA-N 1 3 372.267 0.341 20 0 FCADHO CCOC(=O)C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cccc(O)c1 ZINC001220668434 856233015 /nfs/dbraw/zinc/23/30/15/856233015.db2.gz QWKVZNJLLKIBGZ-KBPBESRZSA-N 1 3 355.460 0.522 20 0 FCADHO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220800155 856307228 /nfs/dbraw/zinc/30/72/28/856307228.db2.gz NALYOFNDRLEDDP-KBPBESRZSA-N 1 3 373.906 0.950 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825662 856325518 /nfs/dbraw/zinc/32/55/18/856325518.db2.gz ABSKJIWOYDXLFP-KURKYZTESA-N 1 3 355.523 0.821 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825662 856325526 /nfs/dbraw/zinc/32/55/26/856325526.db2.gz ABSKJIWOYDXLFP-KURKYZTESA-N 1 3 355.523 0.821 20 0 FCADHO CCOC(=O)C1(NC(=O)[C@H](N)c2ccc(Br)cc2)C[NH2+]C1 ZINC001220851353 856336350 /nfs/dbraw/zinc/33/63/50/856336350.db2.gz SFHAUTLJNPCFHG-LLVKDONJSA-N 1 3 356.220 0.470 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCCC[NH3+] ZINC001221349281 856553333 /nfs/dbraw/zinc/55/33/33/856553333.db2.gz UBNUHFFBVGOOJY-RYUDHWBXSA-N 1 3 350.554 0.160 20 0 FCADHO CN1CCN(c2ncc(CN3CCNC[C@@]4(CCCC[NH2+]4)C3)s2)CC1 ZINC001222674730 856864678 /nfs/dbraw/zinc/86/46/78/856864678.db2.gz PDJGPMYNHIIRBW-SFHVURJKSA-N 1 3 364.563 0.812 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222788782 856873258 /nfs/dbraw/zinc/87/32/58/856873258.db2.gz ARSUGEGIMZHCDP-ZACQAIPSSA-N 1 3 359.486 0.598 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222788782 856873262 /nfs/dbraw/zinc/87/32/62/856873262.db2.gz ARSUGEGIMZHCDP-ZACQAIPSSA-N 1 3 359.486 0.598 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CCN(CCOCC(F)F)[C@H]2C1 ZINC001223916261 856951000 /nfs/dbraw/zinc/95/10/00/856951000.db2.gz DKCKZBORWAQSRR-CABCVRRESA-N 1 3 363.449 0.769 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001226800846 857126890 /nfs/dbraw/zinc/12/68/90/857126890.db2.gz OOLAKIFDYRJFQW-OAGGEKHMSA-N 1 3 359.536 0.778 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001226819144 857127798 /nfs/dbraw/zinc/12/77/98/857127798.db2.gz VOLQRNXIKWSFLQ-MRVWCRGKSA-N 1 3 353.467 0.071 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001227149886 857145612 /nfs/dbraw/zinc/14/56/12/857145612.db2.gz GZQAVFDOIOEZSK-ZIAGYGMSSA-N 1 3 362.540 0.283 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001228354946 857205123 /nfs/dbraw/zinc/20/51/23/857205123.db2.gz FFCVVZHFJWAGRH-ARFHVFGLSA-N 1 3 354.495 0.108 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccco1 ZINC001228366528 857206149 /nfs/dbraw/zinc/20/61/49/857206149.db2.gz ROIIAACDHXGEPO-HZPDHXFCSA-N 1 3 350.463 0.865 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001228603199 857218730 /nfs/dbraw/zinc/21/87/30/857218730.db2.gz OWGBYQMTSIYDHK-LBTNJELSSA-N 1 3 356.486 0.962 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228660796 857221190 /nfs/dbraw/zinc/22/11/90/857221190.db2.gz JTHXWIOOUXVEJH-MCIONIFRSA-N 1 3 355.483 0.189 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001229868255 857290241 /nfs/dbraw/zinc/29/02/41/857290241.db2.gz FNUJHWIRYXWOEU-ARFHVFGLSA-N 1 3 359.536 0.780 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CCC2)C1 ZINC001230137981 857305635 /nfs/dbraw/zinc/30/56/35/857305635.db2.gz AIBWYSZYEFIPKK-GVDBMIGSSA-N 1 3 350.507 0.871 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CCC2)C1 ZINC001230137981 857305637 /nfs/dbraw/zinc/30/56/37/857305637.db2.gz AIBWYSZYEFIPKK-GVDBMIGSSA-N 1 3 350.507 0.871 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138273 857306705 /nfs/dbraw/zinc/30/67/05/857306705.db2.gz MIYHQDLXKKMSSL-ARFHVFGLSA-N 1 3 354.495 0.108 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138273 857306709 /nfs/dbraw/zinc/30/67/09/857306709.db2.gz MIYHQDLXKKMSSL-ARFHVFGLSA-N 1 3 354.495 0.108 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001230274832 857322847 /nfs/dbraw/zinc/32/28/47/857322847.db2.gz NXYYTVDLFMJYFL-GVDBMIGSSA-N 1 3 351.495 0.601 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@@H]2CCCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001279474376 862903263 /nfs/dbraw/zinc/90/32/63/862903263.db2.gz NCIPTWVWSBYYJI-HKUYNNGSSA-N 1 3 352.523 0.774 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@@H]2CCCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279474380 862904184 /nfs/dbraw/zinc/90/41/84/862904184.db2.gz NCIPTWVWSBYYJI-PKOBYXMFSA-N 1 3 352.523 0.774 20 0 FCADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC(OC4CC[NH2+]CC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001235296049 857421190 /nfs/dbraw/zinc/42/11/90/857421190.db2.gz UEIFTVHHCCXMJI-YVSFHVDLSA-N 1 3 356.463 0.457 20 0 FCADHO CCC(CC)[C@@H]([NH2+][C@H]1CCNC(=O)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246416637 857577575 /nfs/dbraw/zinc/57/75/75/857577575.db2.gz SKAZLEAZVKGBJO-NZYBOLKRSA-N 1 3 355.479 0.157 20 0 FCADHO C[C@H]1CC[C@H](N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737601 857595638 /nfs/dbraw/zinc/59/56/38/857595638.db2.gz DWJKOECDNUMXBH-PNKHAZJDSA-N 1 3 351.491 0.570 20 0 FCADHO CC(C)C(=O)N1CCC[C@@]2(C1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750340 857596861 /nfs/dbraw/zinc/59/68/61/857596861.db2.gz ULVOKBKNYGEWQD-APWZRJJASA-N 1 3 350.507 0.430 20 0 FCADHO CC(C)OC[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252675874 857831245 /nfs/dbraw/zinc/83/12/45/857831245.db2.gz JMJHXDCCWFSOLU-QGZVFWFLSA-N 1 3 351.491 0.596 20 0 FCADHO CC(C)OC[C@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252675874 857831251 /nfs/dbraw/zinc/83/12/51/857831251.db2.gz JMJHXDCCWFSOLU-QGZVFWFLSA-N 1 3 351.491 0.596 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]12 ZINC001253201907 857871860 /nfs/dbraw/zinc/87/18/60/857871860.db2.gz BCLCZVCDCVYGTO-ZJIFWQFVSA-N 1 3 357.495 0.913 20 0 FCADHO CCOC(=O)CN1CCC(N2CCN(CC[NH+](CC)CC)CC2)CC1 ZINC001254402222 857969096 /nfs/dbraw/zinc/96/90/96/857969096.db2.gz QJKMXVUZYFOZIG-UHFFFAOYSA-N 1 3 354.539 0.973 20 0 FCADHO COC(=O)[C@@H](C[NH3+])CN[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685766 857980516 /nfs/dbraw/zinc/98/05/16/857980516.db2.gz IXHAIVCPIJNZAG-RYUDHWBXSA-N 1 3 359.492 0.819 20 0 FCADHO O=S1(=O)CCN(c2ccnc(CN[C@H]3CC4CC[NH+](CC4)C3)c2)CC1 ZINC001254847807 857988228 /nfs/dbraw/zinc/98/82/28/857988228.db2.gz JASIBFIXQSFVNA-KRWDZBQOSA-N 1 3 364.515 0.890 20 0 FCADHO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256075676 858052239 /nfs/dbraw/zinc/05/22/39/858052239.db2.gz AFVLWMGOIHVQRM-IEBWSBKVSA-N 1 3 351.491 0.999 20 0 FCADHO CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(CC3CC[NH+](C)CC3)C2)C1 ZINC001279625640 862984929 /nfs/dbraw/zinc/98/49/29/862984929.db2.gz GUWSSDYFARYJRQ-KRWDZBQOSA-N 1 3 374.551 0.301 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CCSC1 ZINC001257110582 858119601 /nfs/dbraw/zinc/11/96/01/858119601.db2.gz NEUCRPOAPIGBPQ-CKEIUWERSA-N 1 3 356.536 0.529 20 0 FCADHO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001263762567 859206399 /nfs/dbraw/zinc/20/63/99/859206399.db2.gz HSZKLUHLURZHHH-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO C[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001263762567 859206406 /nfs/dbraw/zinc/20/64/06/859206406.db2.gz HSZKLUHLURZHHH-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO C[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1)N1CCCC1 ZINC001270490661 859770948 /nfs/dbraw/zinc/77/09/48/859770948.db2.gz PSPIDCKZDOBGKZ-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001271138748 859903559 /nfs/dbraw/zinc/90/35/59/859903559.db2.gz HBOPHHMNIFMGCB-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652521 859985626 /nfs/dbraw/zinc/98/56/26/859985626.db2.gz NLGFXOIYCZSHKH-APWZRJJASA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652521 859985633 /nfs/dbraw/zinc/98/56/33/859985633.db2.gz NLGFXOIYCZSHKH-APWZRJJASA-N 1 3 350.507 0.873 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001281977777 864016580 /nfs/dbraw/zinc/01/65/80/864016580.db2.gz OWDCBLXHJBSTPT-GVDBMIGSSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001281977777 864016591 /nfs/dbraw/zinc/01/65/91/864016591.db2.gz OWDCBLXHJBSTPT-GVDBMIGSSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001296435885 865968398 /nfs/dbraw/zinc/96/83/98/865968398.db2.gz NLKJZEYMZNXAHC-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001296435885 865968411 /nfs/dbraw/zinc/96/84/11/865968411.db2.gz NLKJZEYMZNXAHC-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001316703018 867410241 /nfs/dbraw/zinc/41/02/41/867410241.db2.gz BSVDATAGJMVLJU-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO O=C(N[C@H]1CCCN(CCCO)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558892 868131972 /nfs/dbraw/zinc/13/19/72/868131972.db2.gz ARXHNPWIPVBEIK-HOTGVXAUSA-N 1 3 354.495 0.291 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC001325386491 869871457 /nfs/dbraw/zinc/87/14/57/869871457.db2.gz RGCFCRZINOAQFU-HIFRSBDPSA-N 1 3 354.495 0.548 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001345096099 871188183 /nfs/dbraw/zinc/18/81/83/871188183.db2.gz VRQZPDXPEJQQNP-SJORKVTESA-N 1 3 352.523 0.977 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001345096099 871188187 /nfs/dbraw/zinc/18/81/87/871188187.db2.gz VRQZPDXPEJQQNP-SJORKVTESA-N 1 3 352.523 0.977 20 0 FCADHO Cc1nocc1CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001328167266 871260818 /nfs/dbraw/zinc/26/08/18/871260818.db2.gz QJEQOARPYZIPCN-GDBMZVCRSA-N 1 3 350.463 0.766 20 0 FCADHO Cc1nocc1CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001328167266 871260837 /nfs/dbraw/zinc/26/08/37/871260837.db2.gz QJEQOARPYZIPCN-GDBMZVCRSA-N 1 3 350.463 0.766 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cnccc2-c2nnn[n-]2)C[C@H]1C[NH+](C)C ZINC001570993383 950941186 /nfs/dbraw/zinc/94/11/86/950941186.db2.gz GVBXLVWIKQOLOQ-CHWSQXEVSA-N 1 3 358.450 0.073 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cnccc2-c2nn[n-]n2)C[C@H]1C[NH+](C)C ZINC001570993383 950941199 /nfs/dbraw/zinc/94/11/99/950941199.db2.gz GVBXLVWIKQOLOQ-CHWSQXEVSA-N 1 3 358.450 0.073 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000413670664 529608797 /nfs/dbraw/zinc/60/87/97/529608797.db2.gz YOFUBWZYWQGJOW-RBSFLKMASA-N 1 3 358.552 0.727 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961733 529797478 /nfs/dbraw/zinc/79/74/78/529797478.db2.gz IUSAIBMWFLCGDA-LMSBXDPUSA-N 1 3 360.502 0.624 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961733 529797479 /nfs/dbraw/zinc/79/74/79/529797479.db2.gz IUSAIBMWFLCGDA-LMSBXDPUSA-N 1 3 360.502 0.624 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331502406 215005941 /nfs/dbraw/zinc/00/59/41/215005941.db2.gz QZZVBPDJKZDSDB-IKGGRYGDSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691994 215035626 /nfs/dbraw/zinc/03/56/26/215035626.db2.gz VDWBQRSAUHCODY-IIDMSEBBSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691994 215035629 /nfs/dbraw/zinc/03/56/29/215035629.db2.gz VDWBQRSAUHCODY-IIDMSEBBSA-N 1 3 368.547 0.483 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331860150 215058136 /nfs/dbraw/zinc/05/81/36/215058136.db2.gz BFQOXSXYKXLTLX-VGWMRTNUSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000332028194 215082050 /nfs/dbraw/zinc/08/20/50/215082050.db2.gz XYPQNPFIEACXLU-INMHGKMJSA-N 1 3 366.506 0.202 20 0 FCADHO COC(=O)[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000332161799 215103393 /nfs/dbraw/zinc/10/33/93/215103393.db2.gz QSJAGQSYBPVGSD-CQSZACIVSA-N 1 3 352.479 0.750 20 0 FCADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644880 215305041 /nfs/dbraw/zinc/30/50/41/215305041.db2.gz XXOVHPKISNXSOQ-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000333694448 215309664 /nfs/dbraw/zinc/30/96/64/215309664.db2.gz QAYPXUBIOJAYDW-ZWKOTPCHSA-N 1 3 372.517 0.987 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@H](C)C1 ZINC000333707696 215311176 /nfs/dbraw/zinc/31/11/76/215311176.db2.gz RTGCOIXDXGSVMU-VEZWFGLTSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000333707696 215311178 /nfs/dbraw/zinc/31/11/78/215311178.db2.gz RTGCOIXDXGSVMU-VEZWFGLTSA-N 1 3 367.538 0.299 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](CO)OC(C)(C)C3)CC2)CC1 ZINC000333746699 215315253 /nfs/dbraw/zinc/31/52/53/215315253.db2.gz NCKHAWKUDCZDHQ-QGZVFWFLSA-N 1 3 368.522 0.726 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333891220 215328827 /nfs/dbraw/zinc/32/88/27/215328827.db2.gz GYPSVWQWIMIKJC-YLFCFFPRSA-N 1 3 363.506 0.323 20 0 FCADHO C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@H]1[NH+](C)C ZINC000334128384 215347479 /nfs/dbraw/zinc/34/74/79/215347479.db2.gz RHZYCDJRHKATRP-DLBZAZTESA-N 1 3 367.538 0.375 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000360572504 215365687 /nfs/dbraw/zinc/36/56/87/215365687.db2.gz LWXHLKGFXNYGIH-CABCVRRESA-N 1 3 367.494 0.927 20 0 FCADHO CN(CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000284963165 213257100 /nfs/dbraw/zinc/25/71/00/213257100.db2.gz JOJUGXJJRAVVGL-SFHVURJKSA-N 1 3 374.485 0.080 20 0 FCADHO CN(CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000284963165 213257102 /nfs/dbraw/zinc/25/71/02/213257102.db2.gz JOJUGXJJRAVVGL-SFHVURJKSA-N 1 3 374.485 0.080 20 0 FCADHO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000364670982 215706480 /nfs/dbraw/zinc/70/64/80/215706480.db2.gz GNVBOWJEOIFGND-VQTJNVASSA-N 1 3 372.513 0.649 20 0 FCADHO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000364670982 215706484 /nfs/dbraw/zinc/70/64/84/215706484.db2.gz GNVBOWJEOIFGND-VQTJNVASSA-N 1 3 372.513 0.649 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000283741266 213001163 /nfs/dbraw/zinc/00/11/63/213001163.db2.gz NAJNORWMWXUGAB-UHFFFAOYSA-N 1 3 364.490 0.701 20 0 FCADHO CN(C)CCn1c2cc(NC(=O)C3(C[NH3+])CCOCC3)ccc2oc1=O ZINC000262383744 209579822 /nfs/dbraw/zinc/57/98/22/209579822.db2.gz XGJDDBSCLXJUEG-UHFFFAOYSA-N 1 3 362.430 0.850 20 0 FCADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000246616394 209394161 /nfs/dbraw/zinc/39/41/61/209394161.db2.gz LPBKXBMDIPOOKI-WSTZPKSXSA-N 1 3 369.550 0.891 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000246535163 209390143 /nfs/dbraw/zinc/39/01/43/209390143.db2.gz AMLCNHZNBVJYNY-SQNIBIBYSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000246535163 209390148 /nfs/dbraw/zinc/39/01/48/209390148.db2.gz AMLCNHZNBVJYNY-SQNIBIBYSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@@H](CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237354640 209351150 /nfs/dbraw/zinc/35/11/50/209351150.db2.gz CBVVEBGBIUCSMW-GJZGRUSLSA-N 1 3 364.494 0.525 20 0 FCADHO C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237358267 209350660 /nfs/dbraw/zinc/35/06/60/209350660.db2.gz QVEINRBTHCFFGG-INIZCTEOSA-N 1 3 350.507 0.779 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237171828 209349321 /nfs/dbraw/zinc/34/93/21/209349321.db2.gz HCHHMIISKSRXDR-MRXNPFEDSA-N 1 3 364.515 0.689 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CN2CCN1CCC2 ZINC000368575581 216266719 /nfs/dbraw/zinc/26/67/19/216266719.db2.gz IWUYONXUNBYQQN-KZNAEPCWSA-N 1 3 350.507 0.260 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326636 /nfs/dbraw/zinc/32/66/36/216326636.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326638 /nfs/dbraw/zinc/32/66/38/216326638.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326641 /nfs/dbraw/zinc/32/66/41/216326641.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975683 216326643 /nfs/dbraw/zinc/32/66/43/216326643.db2.gz SATIWXSYMVXFFX-RFSXOUPVSA-N 1 3 362.518 0.938 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038728 216337893 /nfs/dbraw/zinc/33/78/93/216337893.db2.gz OMFSYZRCXHLMSK-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038728 216337897 /nfs/dbraw/zinc/33/78/97/216337897.db2.gz OMFSYZRCXHLMSK-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000414852374 245326925 /nfs/dbraw/zinc/32/69/25/245326925.db2.gz JYBVJSBAKVSMQY-GOSISDBHSA-N 1 3 374.485 0.480 20 0 FCADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415336485 245389339 /nfs/dbraw/zinc/38/93/39/245389339.db2.gz WAHWJHWWDLMERT-MRXNPFEDSA-N 1 3 362.499 0.695 20 0 FCADHO CC(C)N1CCN([C@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783217 217171846 /nfs/dbraw/zinc/17/18/46/217171846.db2.gz WGTHVKYRGKENEY-SFHVURJKSA-N 1 3 351.539 0.251 20 0 FCADHO CC(C)N1CCN([C@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783217 217171851 /nfs/dbraw/zinc/17/18/51/217171851.db2.gz WGTHVKYRGKENEY-SFHVURJKSA-N 1 3 351.539 0.251 20 0 FCADHO C[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000374917413 217189142 /nfs/dbraw/zinc/18/91/42/217189142.db2.gz UTTLJMDBAULPTD-ROUUACIJSA-N 1 3 351.539 0.108 20 0 FCADHO C[C@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000374917413 217189145 /nfs/dbraw/zinc/18/91/45/217189145.db2.gz UTTLJMDBAULPTD-ROUUACIJSA-N 1 3 351.539 0.108 20 0 FCADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000375936027 217336299 /nfs/dbraw/zinc/33/62/99/217336299.db2.gz UTZSNBWHZPVXEJ-GOSISDBHSA-N 1 3 354.470 0.529 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000376403980 217394865 /nfs/dbraw/zinc/39/48/65/217394865.db2.gz SMJFBRRJXLKTLD-HNNXBMFYSA-N 1 3 363.510 0.108 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000419130370 246005554 /nfs/dbraw/zinc/00/55/54/246005554.db2.gz FNLUPVKXRGJIAG-UHFFFAOYSA-N 1 3 362.474 0.359 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000419139923 246010586 /nfs/dbraw/zinc/01/05/86/246010586.db2.gz VCWHNIOPIJXKAF-CQSZACIVSA-N 1 3 350.488 0.636 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000419146242 246014452 /nfs/dbraw/zinc/01/44/52/246014452.db2.gz ICIVWGVXWPOFHZ-IIAWOOMASA-N 1 3 364.515 0.882 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419163859 246028865 /nfs/dbraw/zinc/02/88/65/246028865.db2.gz KWJRZIOVKJCPBD-KRWDZBQOSA-N 1 3 362.474 0.072 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419171374 246033798 /nfs/dbraw/zinc/03/37/98/246033798.db2.gz XNYPSIVZNBFEDF-ROUUACIJSA-N 1 3 374.485 0.247 20 0 FCADHO O=C(NC1CCN(CCc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419181962 246040107 /nfs/dbraw/zinc/04/01/07/246040107.db2.gz BYHVPVWNMGTPGO-MJGOQNOKSA-N 1 3 370.497 0.630 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000419214963 246059737 /nfs/dbraw/zinc/05/97/37/246059737.db2.gz NITLZYYVFLOZNH-IAGOWNOFSA-N 1 3 374.485 0.311 20 0 FCADHO C[C@]1(CNC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224544 246065189 /nfs/dbraw/zinc/06/51/89/246065189.db2.gz FUUCNQFCYOZXJY-LPHOPBHVSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)[C@H]1C[NH3+] ZINC000419224074 246065381 /nfs/dbraw/zinc/06/53/81/246065381.db2.gz FCMSWKJFXIIDPA-PVAVHDDUSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231192 246068098 /nfs/dbraw/zinc/06/80/98/246068098.db2.gz RKBBFDHGVRXPQX-CWRNSKLLSA-N 1 3 366.506 0.596 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231192 246068106 /nfs/dbraw/zinc/06/81/06/246068106.db2.gz RKBBFDHGVRXPQX-CWRNSKLLSA-N 1 3 366.506 0.596 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCC1 ZINC000419245100 246077216 /nfs/dbraw/zinc/07/72/16/246077216.db2.gz VGAZDPLUWQVWIG-GOEBONIOSA-N 1 3 362.449 0.679 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340329 246103610 /nfs/dbraw/zinc/10/36/10/246103610.db2.gz WMIZQHQLWDZTDH-BIMQEMHKSA-N 1 3 374.460 0.678 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419370463 246119974 /nfs/dbraw/zinc/11/99/74/246119974.db2.gz JPIIJHDKUBSJKE-CEXWTWQISA-N 1 3 372.513 0.734 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419369757 246120231 /nfs/dbraw/zinc/12/02/31/246120231.db2.gz GAHYHLRDIPEQGI-LSDHHAIUSA-N 1 3 358.486 0.398 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000419371436 246121846 /nfs/dbraw/zinc/12/18/46/246121846.db2.gz KSWHSRMNNDFRRV-OKZBNKHCSA-N 1 3 364.534 0.927 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000419371434 246121874 /nfs/dbraw/zinc/12/18/74/246121874.db2.gz KSWHSRMNNDFRRV-FGTMMUONSA-N 1 3 364.534 0.927 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)Cc2ccccc2C1 ZINC000419375101 246122001 /nfs/dbraw/zinc/12/20/01/246122001.db2.gz QBONCPGRTPBSCI-QZTJIDSGSA-N 1 3 370.497 0.270 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375102 246122889 /nfs/dbraw/zinc/12/28/89/246122889.db2.gz QBONCPGRTPBSCI-ROUUACIJSA-N 1 3 370.497 0.270 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000419407951 246140600 /nfs/dbraw/zinc/14/06/00/246140600.db2.gz LALSANCJYGWWLP-WBVHZDCISA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407732 246142254 /nfs/dbraw/zinc/14/22/54/246142254.db2.gz YUUGYHZXZCLJQE-CGTJXYLNSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407732 246142259 /nfs/dbraw/zinc/14/22/59/246142259.db2.gz YUUGYHZXZCLJQE-CGTJXYLNSA-N 1 3 358.486 0.963 20 0 FCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419420693 246155175 /nfs/dbraw/zinc/15/51/75/246155175.db2.gz KFUOQYQVRUDNFK-CRAIPNDOSA-N 1 3 358.486 0.795 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419421534 246155306 /nfs/dbraw/zinc/15/53/06/246155306.db2.gz LMJWVCVGUHLFSY-HZPDHXFCSA-N 1 3 358.486 0.747 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000419428134 246157948 /nfs/dbraw/zinc/15/79/48/246157948.db2.gz SRKONXIKSZVIGI-IRXDYDNUSA-N 1 3 360.458 0.126 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](CN)C1 ZINC000419482730 246178240 /nfs/dbraw/zinc/17/82/40/246178240.db2.gz QPCKUDCALUPNLS-GVDBMIGSSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@@H](CN)C1 ZINC000419482730 246178243 /nfs/dbraw/zinc/17/82/43/246178243.db2.gz QPCKUDCALUPNLS-GVDBMIGSSA-N 1 3 368.522 0.722 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000419591550 246211134 /nfs/dbraw/zinc/21/11/34/246211134.db2.gz VPRHVVRFGHZTCA-KRWDZBQOSA-N 1 3 356.536 0.388 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000419591553 246212585 /nfs/dbraw/zinc/21/25/85/246212585.db2.gz VPRHVVRFGHZTCA-QGZVFWFLSA-N 1 3 356.536 0.388 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419543585 246196540 /nfs/dbraw/zinc/19/65/40/246196540.db2.gz FWBFUNXZHXIBIE-ZFWWWQNUSA-N 1 3 352.504 0.925 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624760 246222125 /nfs/dbraw/zinc/22/21/25/246222125.db2.gz AKJQNELCPVQNJR-XJKSGUPXSA-N 1 3 362.474 0.594 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000419660919 246235765 /nfs/dbraw/zinc/23/57/65/246235765.db2.gz DDYJYWOVZZHGBY-DOTOQJQBSA-N 1 3 373.501 0.858 20 0 FCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419668622 246238787 /nfs/dbraw/zinc/23/87/87/246238787.db2.gz DGTDBIGAZCYIRN-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419678422 246243974 /nfs/dbraw/zinc/24/39/74/246243974.db2.gz DQUBGSTWMUXRQT-HOTGVXAUSA-N 1 3 366.506 0.381 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419695281 246253998 /nfs/dbraw/zinc/25/39/98/246253998.db2.gz KSWZHHWWEIMNET-GVDBMIGSSA-N 1 3 368.522 0.578 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000419750593 246281483 /nfs/dbraw/zinc/28/14/83/246281483.db2.gz IZUCIQNAIHTACT-HNNXBMFYSA-N 1 3 366.506 0.394 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C1CC1 ZINC000419763970 246288661 /nfs/dbraw/zinc/28/86/61/246288661.db2.gz OUHJDZPUTUFDIY-SJLPKXTDSA-N 1 3 358.486 0.820 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419786859 246297834 /nfs/dbraw/zinc/29/78/34/246297834.db2.gz ZJDDBOYCOHPHIU-ZWKOTPCHSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813875 246302782 /nfs/dbraw/zinc/30/27/82/246302782.db2.gz JTCVGIQVWPANTH-ZIAGYGMSSA-N 1 3 354.495 0.596 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000419740778 246277834 /nfs/dbraw/zinc/27/78/34/246277834.db2.gz YDHLUUHUZZHUTH-NWANDNLSSA-N 1 3 352.479 0.349 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](CN)C1 ZINC000419822152 246306103 /nfs/dbraw/zinc/30/61/03/246306103.db2.gz OXNFUZREYQAFDQ-GJZGRUSLSA-N 1 3 354.495 0.332 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419871395 246339504 /nfs/dbraw/zinc/33/95/04/246339504.db2.gz SSQUOCWNXXGKOG-SFHVURJKSA-N 1 3 358.486 0.963 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419846671 246318044 /nfs/dbraw/zinc/31/80/44/246318044.db2.gz QGVAXTPHQAQNMV-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850412 246319590 /nfs/dbraw/zinc/31/95/90/246319590.db2.gz LLOXYYGUVTZJGI-UHFFFAOYSA-N 1 3 360.502 0.878 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419851372 246321678 /nfs/dbraw/zinc/32/16/78/246321678.db2.gz OBTHRXKOBAKQOM-UHFFFAOYSA-N 1 3 368.428 0.723 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419859213 246327813 /nfs/dbraw/zinc/32/78/13/246327813.db2.gz JHDTYPSEHHBQNM-VBQJREDUSA-N 1 3 366.506 0.188 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869145 246337402 /nfs/dbraw/zinc/33/74/02/246337402.db2.gz CUUCAOQDSQXYST-CQSZACIVSA-N 1 3 354.401 0.333 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419918370 246367197 /nfs/dbraw/zinc/36/71/97/246367197.db2.gz UMEDSCDPBZDNDM-AWEZNQCLSA-N 1 3 352.504 0.754 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419933558 246376230 /nfs/dbraw/zinc/37/62/30/246376230.db2.gz FGHQZJNINMGVIO-IAGOWNOFSA-N 1 3 350.507 0.969 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1)C1CC1 ZINC000419878283 246345274 /nfs/dbraw/zinc/34/52/74/246345274.db2.gz YTXORBYJCYWYTG-KRWDZBQOSA-N 1 3 350.507 0.955 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419958303 246387618 /nfs/dbraw/zinc/38/76/18/246387618.db2.gz QDZPXPPYMPSXJL-ILXRZTDVSA-N 1 3 354.495 0.045 20 0 FCADHO NC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967323 246394271 /nfs/dbraw/zinc/39/42/71/246394271.db2.gz NSJVQIIFFNYWCU-NVXWUHKLSA-N 1 3 350.507 0.955 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419972306 246395892 /nfs/dbraw/zinc/39/58/92/246395892.db2.gz HPCLUXCSRORCJD-INIZCTEOSA-N 1 3 370.444 0.955 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423170435 246971794 /nfs/dbraw/zinc/97/17/94/246971794.db2.gz LWODEUJRAQPREF-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423362444 247011951 /nfs/dbraw/zinc/01/19/51/247011951.db2.gz HTEVFACHOGQNNH-HUUCEWRRSA-N 1 3 350.463 0.756 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423514175 247039119 /nfs/dbraw/zinc/03/91/19/247039119.db2.gz SJDPUSKWXMHTPY-MRXNPFEDSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423607670 247072109 /nfs/dbraw/zinc/07/21/09/247072109.db2.gz JULWWLMVEHYZDJ-ZFWWWQNUSA-N 1 3 352.504 0.834 20 0 FCADHO COC(=O)CCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000423901629 247147786 /nfs/dbraw/zinc/14/77/86/247147786.db2.gz UAQNBYVOVQRGLE-HNNXBMFYSA-N 1 3 354.495 0.286 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Cc1ccco1 ZINC000423723298 247126859 /nfs/dbraw/zinc/12/68/59/247126859.db2.gz HCXUDBNAFWPOCR-HOTGVXAUSA-N 1 3 362.474 0.628 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423730390 247131341 /nfs/dbraw/zinc/13/13/41/247131341.db2.gz XWNPCGKWKPQHRQ-OAGGEKHMSA-N 1 3 368.522 0.530 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424058560 247164447 /nfs/dbraw/zinc/16/44/47/247164447.db2.gz LJYURUFHWCXVBL-CQSZACIVSA-N 1 3 356.434 0.260 20 0 FCADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424223291 247179790 /nfs/dbraw/zinc/17/97/90/247179790.db2.gz HLIYOMSDZCZPBP-DLBZAZTESA-N 1 3 357.458 0.927 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@H]2[NH3+])cn1 ZINC000424227368 247181117 /nfs/dbraw/zinc/18/11/17/247181117.db2.gz QTMYBDOWCQJVDP-DLBZAZTESA-N 1 3 361.490 0.708 20 0 FCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424540080 247254368 /nfs/dbraw/zinc/25/43/68/247254368.db2.gz GDVQDNWXJKSWML-YTQUADARSA-N 1 3 370.497 0.835 20 0 FCADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424540079 247255819 /nfs/dbraw/zinc/25/58/19/247255819.db2.gz GDVQDNWXJKSWML-NZSAHSFTSA-N 1 3 370.497 0.835 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1=O ZINC000425310493 247320726 /nfs/dbraw/zinc/32/07/26/247320726.db2.gz FEKZRQRSOMTKIT-KRWDZBQOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039830 248347282 /nfs/dbraw/zinc/34/72/82/248347282.db2.gz YYEUQDKDNINUGF-HUUCEWRRSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039830 248347283 /nfs/dbraw/zinc/34/72/83/248347283.db2.gz YYEUQDKDNINUGF-HUUCEWRRSA-N 1 3 351.499 0.934 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000271274080 211368477 /nfs/dbraw/zinc/36/84/77/211368477.db2.gz OJPDAZSORSQTCA-UHFFFAOYSA-N 1 3 373.457 0.701 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000469848287 250006869 /nfs/dbraw/zinc/00/68/69/250006869.db2.gz HZXZXMGTAQHQCY-YHUYYLMFSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000469848287 250006870 /nfs/dbraw/zinc/00/68/70/250006870.db2.gz HZXZXMGTAQHQCY-YHUYYLMFSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000469848287 250006873 /nfs/dbraw/zinc/00/68/73/250006873.db2.gz HZXZXMGTAQHQCY-YHUYYLMFSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000469848287 250006876 /nfs/dbraw/zinc/00/68/76/250006876.db2.gz HZXZXMGTAQHQCY-YHUYYLMFSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000469848286 250006947 /nfs/dbraw/zinc/00/69/47/250006947.db2.gz HZXZXMGTAQHQCY-SYMSYNOKSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000469848286 250006952 /nfs/dbraw/zinc/00/69/52/250006952.db2.gz HZXZXMGTAQHQCY-SYMSYNOKSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000469848286 250006954 /nfs/dbraw/zinc/00/69/54/250006954.db2.gz HZXZXMGTAQHQCY-SYMSYNOKSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000469848286 250006958 /nfs/dbraw/zinc/00/69/58/250006958.db2.gz HZXZXMGTAQHQCY-SYMSYNOKSA-N 1 3 356.463 0.770 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000471470804 250103682 /nfs/dbraw/zinc/10/36/82/250103682.db2.gz JYJZLWSSUSWUES-PMPSAXMXSA-N 1 3 369.510 0.077 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000471470804 250103683 /nfs/dbraw/zinc/10/36/83/250103683.db2.gz JYJZLWSSUSWUES-PMPSAXMXSA-N 1 3 369.510 0.077 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000471470798 250104313 /nfs/dbraw/zinc/10/43/13/250104313.db2.gz JYJZLWSSUSWUES-BZUAXINKSA-N 1 3 369.510 0.077 20 0 FCADHO 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ZINC000176641118 209008775 /nfs/dbraw/zinc/00/87/75/209008775.db2.gz TXPFWFIELIUENH-CQSZACIVSA-N 1 3 365.478 0.936 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410436487 230078827 /nfs/dbraw/zinc/07/88/27/230078827.db2.gz RMVUEXJAUNANHC-KRWDZBQOSA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410441381 230081453 /nfs/dbraw/zinc/08/14/53/230081453.db2.gz YIBHAPBCFIVETP-KRWDZBQOSA-N 1 3 368.522 0.356 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000410738298 230228791 /nfs/dbraw/zinc/22/87/91/230228791.db2.gz WEVNAXFWOGJQKK-IKGGRYGDSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000410738298 230228795 /nfs/dbraw/zinc/22/87/95/230228795.db2.gz WEVNAXFWOGJQKK-IKGGRYGDSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000410996749 230342036 /nfs/dbraw/zinc/34/20/36/230342036.db2.gz MEYYBGFBSRLEGO-SFHVURJKSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000410996749 230342039 /nfs/dbraw/zinc/34/20/39/230342039.db2.gz MEYYBGFBSRLEGO-SFHVURJKSA-N 1 3 350.507 0.873 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000933841465 674276355 /nfs/dbraw/zinc/27/63/55/674276355.db2.gz HQZXZKSDGQKSAN-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000627827059 484099629 /nfs/dbraw/zinc/09/96/29/484099629.db2.gz PIJXQMSPWSJLRU-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000627827059 484099636 /nfs/dbraw/zinc/09/96/36/484099636.db2.gz PIJXQMSPWSJLRU-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO CC(C)COC[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760704 488144716 /nfs/dbraw/zinc/14/47/16/488144716.db2.gz JITUIURIAZVHCS-GOSISDBHSA-N 1 3 370.538 0.878 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)N3CCCCC3)CC2)CC1 ZINC000051760923 488144743 /nfs/dbraw/zinc/14/47/43/488144743.db2.gz XBCGXBMVAVTOGJ-UHFFFAOYSA-N 1 3 365.522 0.857 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000562821339 491192904 /nfs/dbraw/zinc/19/29/04/491192904.db2.gz OCMZHGJSHCWWHF-QZTJIDSGSA-N 1 3 373.501 0.041 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000073288335 488384250 /nfs/dbraw/zinc/38/42/50/488384250.db2.gz HSMUCAKCSOEYGK-OAHLLOKOSA-N 1 3 354.495 0.014 20 0 FCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000074371572 488391455 /nfs/dbraw/zinc/39/14/55/488391455.db2.gz IEOMREFNMYFIIQ-ROUUACIJSA-N 1 3 369.554 0.528 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185735839 488402515 /nfs/dbraw/zinc/40/25/15/488402515.db2.gz WCWNXMMXVRCNQD-MRXNPFEDSA-N 1 3 355.527 0.422 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000554336683 491195853 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488454336 /nfs/dbraw/zinc/45/43/36/488454336.db2.gz JACOWGALOKZFIU-QAETUUGQSA-N 1 3 350.507 0.966 20 0 FCADHO Cc1cc(N2CC[C@@H](N(C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)n(C)n1 ZINC000247498892 488486235 /nfs/dbraw/zinc/48/62/35/488486235.db2.gz LNGVENHOMPSEAW-DOTOQJQBSA-N 1 3 363.506 0.858 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000247598286 488488214 /nfs/dbraw/zinc/48/82/14/488488214.db2.gz KPBZGWXXHCLBOX-HZPDHXFCSA-N 1 3 368.522 0.090 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C2CC2)CC1=O ZINC000248564033 488498337 /nfs/dbraw/zinc/49/83/37/488498337.db2.gz HPYYWJRTATUWAQ-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C2CC2)CC1=O ZINC000248564033 488498340 /nfs/dbraw/zinc/49/83/40/488498340.db2.gz HPYYWJRTATUWAQ-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103313476 488500718 /nfs/dbraw/zinc/50/07/18/488500718.db2.gz SZFPVCJWCZZURX-QGZVFWFLSA-N 1 3 367.538 0.960 20 0 FCADHO Cc1ccc2c(c1)C(=O)N(CC(=O)N(CCN(C)C)CC[NH+](C)C)C2=O ZINC000104532839 488504827 /nfs/dbraw/zinc/50/48/27/488504827.db2.gz XDBSASBDQNONIL-UHFFFAOYSA-N 1 3 360.458 0.543 20 0 FCADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249010293 488505084 /nfs/dbraw/zinc/50/50/84/488505084.db2.gz OMUDJVHOPSQGQH-DLBZAZTESA-N 1 3 356.511 0.368 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000104779732 488505811 /nfs/dbraw/zinc/50/58/11/488505811.db2.gz XCWHCLDLCPMMAP-CQSZACIVSA-N 1 3 351.495 0.500 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000104779732 488505813 /nfs/dbraw/zinc/50/58/13/488505813.db2.gz XCWHCLDLCPMMAP-CQSZACIVSA-N 1 3 351.495 0.500 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000105270095 488508790 /nfs/dbraw/zinc/50/87/90/488508790.db2.gz BWKQLFYTUGYJMP-HNNXBMFYSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000105270095 488508792 /nfs/dbraw/zinc/50/87/92/488508792.db2.gz BWKQLFYTUGYJMP-HNNXBMFYSA-N 1 3 351.495 0.419 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000261699934 488531690 /nfs/dbraw/zinc/53/16/90/488531690.db2.gz OOYHFJIADFQBBJ-GFCCVEGCSA-N 1 3 363.849 0.635 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112747710 488536122 /nfs/dbraw/zinc/53/61/22/488536122.db2.gz YQVXXNOAJQDXMC-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO O=S1(=O)CCC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000271723531 488541935 /nfs/dbraw/zinc/54/19/35/488541935.db2.gz QOERRLALZQXQJF-MRXNPFEDSA-N 1 3 352.504 0.761 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262003320 488545605 /nfs/dbraw/zinc/54/56/05/488545605.db2.gz DSAMZIKSTCULCX-HDICACEKSA-N 1 3 351.539 0.299 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262003320 488545607 /nfs/dbraw/zinc/54/56/07/488545607.db2.gz DSAMZIKSTCULCX-HDICACEKSA-N 1 3 351.539 0.299 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C(N)=O)n3)CC2)CC1 ZINC000122254014 488576642 /nfs/dbraw/zinc/57/66/42/488576642.db2.gz OTTBIWGVGOSICG-UHFFFAOYSA-N 1 3 360.462 0.861 20 0 FCADHO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000123437226 488585264 /nfs/dbraw/zinc/58/52/64/488585264.db2.gz BHNJGGPUINHQLN-KRWDZBQOSA-N 1 3 362.474 0.650 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000263276603 488608519 /nfs/dbraw/zinc/60/85/19/488608519.db2.gz YOPWJMWVKBPMPF-KRWDZBQOSA-N 1 3 356.511 0.435 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563077658 491213294 /nfs/dbraw/zinc/21/32/94/491213294.db2.gz NFCPHUOPTBOSJA-BPQIPLTHSA-N 1 3 358.486 0.881 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000563077626 491213312 /nfs/dbraw/zinc/21/33/12/491213312.db2.gz FOZRSWPXJMUYMF-MRXNPFEDSA-N 1 3 364.494 0.649 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000130528945 488638083 /nfs/dbraw/zinc/63/80/83/488638083.db2.gz WUOMHVOGHSTBGP-UHFFFAOYSA-N 1 3 364.494 0.664 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000132133606 488651040 /nfs/dbraw/zinc/65/10/40/488651040.db2.gz ZYRZAVMHSVVOIH-GOSISDBHSA-N 1 3 350.463 0.424 20 0 FCADHO CN1CCN(c2ncc(CN3CCC(C[NH+]4CCOCC4)CC3)cn2)CC1 ZINC000134111177 488664152 /nfs/dbraw/zinc/66/41/52/488664152.db2.gz AQEJOIBQVSFGKT-UHFFFAOYSA-N 1 3 374.533 0.773 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000134163186 488664903 /nfs/dbraw/zinc/66/49/03/488664903.db2.gz UNDSLSAZJQZSNY-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000134148794 488665107 /nfs/dbraw/zinc/66/51/07/488665107.db2.gz RZCMISMJCWIAPZ-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FCADHO C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)CN1CCN(C)CC1 ZINC000137063249 488679834 /nfs/dbraw/zinc/67/98/34/488679834.db2.gz XCWFICMWSQODGK-INIZCTEOSA-N 1 3 363.506 0.635 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000140193289 488686047 /nfs/dbraw/zinc/68/60/47/488686047.db2.gz CSTHVIDHBCCLCX-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000140193289 488686050 /nfs/dbraw/zinc/68/60/50/488686050.db2.gz CSTHVIDHBCCLCX-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000153248536 488729180 /nfs/dbraw/zinc/72/91/80/488729180.db2.gz JWYRWGIOPSLEGU-HNNXBMFYSA-N 1 3 364.494 0.620 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000153248536 488729181 /nfs/dbraw/zinc/72/91/81/488729181.db2.gz JWYRWGIOPSLEGU-HNNXBMFYSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000154644229 488745814 /nfs/dbraw/zinc/74/58/14/488745814.db2.gz PUPBNIGYRDLRFE-OAHLLOKOSA-N 1 3 366.485 0.934 20 0 FCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137105 488762631 /nfs/dbraw/zinc/76/26/31/488762631.db2.gz WKYHCTRHVDKVPZ-BRWVUGGUSA-N 1 3 360.506 0.834 20 0 FCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137105 488762633 /nfs/dbraw/zinc/76/26/33/488762633.db2.gz WKYHCTRHVDKVPZ-BRWVUGGUSA-N 1 3 360.506 0.834 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000563152074 491222161 /nfs/dbraw/zinc/22/21/61/491222161.db2.gz GYTROXHHFZVNKX-DLBZAZTESA-N 1 3 350.507 0.728 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000563152074 491222164 /nfs/dbraw/zinc/22/21/64/491222164.db2.gz GYTROXHHFZVNKX-DLBZAZTESA-N 1 3 350.507 0.728 20 0 FCADHO NS(=O)(=O)c1ccc(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000563153985 491222735 /nfs/dbraw/zinc/22/27/35/491222735.db2.gz LXBXLJSMGYSRRI-SJORKVTESA-N 1 3 369.487 0.541 20 0 FCADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCCS(N)(=O)=O)CC1 ZINC000172984436 488839459 /nfs/dbraw/zinc/83/94/59/488839459.db2.gz XXXNZLUEULLKHL-UHFFFAOYSA-N 1 3 362.540 0.081 20 0 FCADHO COCC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000173398845 488842589 /nfs/dbraw/zinc/84/25/89/488842589.db2.gz QICMSEXQQDUFNG-INIZCTEOSA-N 1 3 355.527 0.280 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000174292361 488848528 /nfs/dbraw/zinc/84/85/28/488848528.db2.gz NUABXLTUTJFOMJ-MSOLQXFVSA-N 1 3 351.539 0.997 20 0 FCADHO COCCN1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175684695 488855048 /nfs/dbraw/zinc/85/50/48/488855048.db2.gz GOQLFGKFQBKLQR-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO C[N@H+](C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778486 489164926 /nfs/dbraw/zinc/16/49/26/489164926.db2.gz MOPBBKYUYLAGPN-XLIONFOSSA-N 1 3 372.469 0.638 20 0 FCADHO C[N@@H+](C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778486 489164928 /nfs/dbraw/zinc/16/49/28/489164928.db2.gz MOPBBKYUYLAGPN-XLIONFOSSA-N 1 3 372.469 0.638 20 0 FCADHO CNC(=O)[C@@]1(C)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000333009969 489255986 /nfs/dbraw/zinc/25/59/86/489255986.db2.gz VDTBIEDSAPDHTM-IBGZPJMESA-N 1 3 365.522 0.713 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333639480 489262906 /nfs/dbraw/zinc/26/29/06/489262906.db2.gz HWKVOZRLXSMPOJ-ARFHVFGLSA-N 1 3 351.495 0.323 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CCC(=O)N3)CC2)CC1 ZINC000563407919 491242702 /nfs/dbraw/zinc/24/27/02/491242702.db2.gz PXJKTVFNBHDUBG-IBGZPJMESA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738430 489269281 /nfs/dbraw/zinc/26/92/81/489269281.db2.gz XVWYCBDPMJJMLO-SZMVWBNQSA-N 1 3 366.506 0.744 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738430 489269284 /nfs/dbraw/zinc/26/92/84/489269284.db2.gz XVWYCBDPMJJMLO-SZMVWBNQSA-N 1 3 366.506 0.744 20 0 FCADHO CC[C@H](C(=O)N[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1cnn(C)c1)N(C)C ZINC000298724232 489357228 /nfs/dbraw/zinc/35/72/28/489357228.db2.gz WVZJDRWGOSNOEC-BZUAXINKSA-N 1 3 366.510 0.374 20 0 FCADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)c1cnn(C)c1)N(C)C ZINC000298724232 489357230 /nfs/dbraw/zinc/35/72/30/489357230.db2.gz WVZJDRWGOSNOEC-BZUAXINKSA-N 1 3 366.510 0.374 20 0 FCADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698770 489363252 /nfs/dbraw/zinc/36/32/52/489363252.db2.gz CDCWLIHNSABFDX-QAPCUYQASA-N 1 3 370.497 0.590 20 0 FCADHO COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000370516292 489369938 /nfs/dbraw/zinc/36/99/38/489369938.db2.gz AIDBIOBKPCLJJC-QZTJIDSGSA-N 1 3 357.539 0.748 20 0 FCADHO C[C@H](CNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896046 489403559 /nfs/dbraw/zinc/40/35/59/489403559.db2.gz GTSVCESKVJSVKE-KZNAEPCWSA-N 1 3 367.538 0.111 20 0 FCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000563606762 491258089 /nfs/dbraw/zinc/25/80/89/491258089.db2.gz UFWXCUDOUVDZJT-SFYZZRBRSA-N 1 3 363.506 0.452 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(CCOC)C2)CC1=O ZINC000363394467 489462232 /nfs/dbraw/zinc/46/22/32/489462232.db2.gz AQJOZIUNCKAYNK-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(CCOC)C2)CC1=O ZINC000363394467 489462234 /nfs/dbraw/zinc/46/22/34/489462234.db2.gz AQJOZIUNCKAYNK-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO COC(=O)c1cn(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097069 489492485 /nfs/dbraw/zinc/49/24/85/489492485.db2.gz AEVFUAYGVUFGFS-KDOFPFPSSA-N 1 3 357.414 0.910 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423092625 489492529 /nfs/dbraw/zinc/49/25/29/489492529.db2.gz CSXFVUACQJIXIG-HNNXBMFYSA-N 1 3 350.438 0.666 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C[C@H]1[NH3+] ZINC000423093666 489492634 /nfs/dbraw/zinc/49/26/34/489492634.db2.gz IJAZJDYQBJWVBF-CZUORRHYSA-N 1 3 350.438 0.522 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423160773 489498232 /nfs/dbraw/zinc/49/82/32/489498232.db2.gz HVGQMIDMYBMYST-QZTJIDSGSA-N 1 3 373.501 0.702 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423169486 489498909 /nfs/dbraw/zinc/49/89/09/489498909.db2.gz WAFZFZYMSKTBJV-GOEBONIOSA-N 1 3 364.465 0.912 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000423169706 489499000 /nfs/dbraw/zinc/49/90/00/489499000.db2.gz KFMBVXDKYZGURD-CJNGLKHVSA-N 1 3 350.463 0.674 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423198061 489501189 /nfs/dbraw/zinc/50/11/89/489501189.db2.gz CUHWBGAPKPXBHS-UHFFFAOYSA-N 1 3 360.502 0.959 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423199995 489501831 /nfs/dbraw/zinc/50/18/31/489501831.db2.gz DDMKEICRFRBKPH-ZDUSSCGKSA-N 1 3 368.428 0.662 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423199431 489502319 /nfs/dbraw/zinc/50/23/19/489502319.db2.gz BLZOIXOURIJSJZ-CYBMUJFWSA-N 1 3 354.401 0.415 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423204500 489502486 /nfs/dbraw/zinc/50/24/86/489502486.db2.gz UKRURWDGXYNEPR-GOSISDBHSA-N 1 3 360.502 0.959 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000423204801 489502513 /nfs/dbraw/zinc/50/25/13/489502513.db2.gz OOXJIFJWYBOVGK-HNNXBMFYSA-N 1 3 368.428 0.675 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423214234 489503628 /nfs/dbraw/zinc/50/36/28/489503628.db2.gz OLGUSHRWTHXYKU-MRXNPFEDSA-N 1 3 366.506 0.158 20 0 FCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423236173 489506559 /nfs/dbraw/zinc/50/65/59/489506559.db2.gz RRCWZXOCLZSEAF-IBGZPJMESA-N 1 3 372.513 0.961 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000415415471 489518571 /nfs/dbraw/zinc/51/85/71/489518571.db2.gz IILJZVLTEGBKSZ-HNNXBMFYSA-N 1 3 361.490 0.881 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000415479246 489524559 /nfs/dbraw/zinc/52/45/59/489524559.db2.gz HJJKJUNLPASMPX-CVEARBPZSA-N 1 3 360.458 0.918 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)c2)CC1 ZINC000415542237 489527686 /nfs/dbraw/zinc/52/76/86/489527686.db2.gz PPIMFJRBBBZWLU-HOTGVXAUSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005280 489567425 /nfs/dbraw/zinc/56/74/25/489567425.db2.gz JMHZBSYIXHFZHN-QWHCGFSZSA-N 1 3 353.433 0.839 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000372458767 489586193 /nfs/dbraw/zinc/58/61/93/489586193.db2.gz UOLZATXLJFOASV-LJQANCHMSA-N 1 3 366.550 0.973 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000372458767 489586196 /nfs/dbraw/zinc/58/61/96/489586196.db2.gz UOLZATXLJFOASV-LJQANCHMSA-N 1 3 366.550 0.973 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417360756 489649346 /nfs/dbraw/zinc/64/93/46/489649346.db2.gz BJODAFCNMFCROT-IAGOWNOFSA-N 1 3 360.506 0.972 20 0 FCADHO [NH3+]CC1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 ZINC000417366758 489649517 /nfs/dbraw/zinc/64/95/17/489649517.db2.gz KZNBRUNMSIXNLS-UHFFFAOYSA-N 1 3 360.506 0.974 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417419659 489652069 /nfs/dbraw/zinc/65/20/69/489652069.db2.gz DGKXPMWGAYTAPA-HZPDHXFCSA-N 1 3 353.511 0.618 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000417429827 489652867 /nfs/dbraw/zinc/65/28/67/489652867.db2.gz NXPJUURGAXYHJL-HRCADAONSA-N 1 3 353.511 0.616 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417428140 489652942 /nfs/dbraw/zinc/65/29/42/489652942.db2.gz KFBUEXNQMOXLCF-CVEARBPZSA-N 1 3 353.511 0.761 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417434205 489653639 /nfs/dbraw/zinc/65/36/39/489653639.db2.gz WUUXBAXYLXUTNN-ULQDDVLXSA-N 1 3 367.538 0.993 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417478839 489655422 /nfs/dbraw/zinc/65/54/22/489655422.db2.gz SJMSBJPUVLVBLD-KRWDZBQOSA-N 1 3 361.490 0.871 20 0 FCADHO C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000417479869 489655721 /nfs/dbraw/zinc/65/57/21/489655721.db2.gz LEMFRGGUJMCEEN-KRWDZBQOSA-N 1 3 350.463 0.805 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000417478842 489655727 /nfs/dbraw/zinc/65/57/27/489655727.db2.gz SJMSBJPUVLVBLD-QGZVFWFLSA-N 1 3 361.490 0.871 20 0 FCADHO COCC[N@H+](C)CC[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000417497469 489656135 /nfs/dbraw/zinc/65/61/35/489656135.db2.gz BBTGARGSKRGLBL-ROUUACIJSA-N 1 3 364.490 0.984 20 0 FCADHO COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000417497469 489656138 /nfs/dbraw/zinc/65/61/38/489656138.db2.gz BBTGARGSKRGLBL-ROUUACIJSA-N 1 3 364.490 0.984 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000417502731 489656382 /nfs/dbraw/zinc/65/63/82/489656382.db2.gz BUPUFSJUQOHZMC-QGZVFWFLSA-N 1 3 350.463 0.539 20 0 FCADHO COc1cc(NC(=O)NC[C@@]2(O)CCN(C)C2)ccc1OCC[NH+](C)C ZINC000417681356 489660746 /nfs/dbraw/zinc/66/07/46/489660746.db2.gz JQJPDQXONWWZIY-SFHVURJKSA-N 1 3 366.462 0.824 20 0 FCADHO CN[C@H](CC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000417793315 489666027 /nfs/dbraw/zinc/66/60/27/489666027.db2.gz ZTFFHRNOFMQBFD-CQSZACIVSA-N 1 3 356.492 0.886 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000417815561 489666835 /nfs/dbraw/zinc/66/68/35/489666835.db2.gz ICIYLGODSOHAFE-WMLDXEAASA-N 1 3 371.551 0.453 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418104236 489678490 /nfs/dbraw/zinc/67/84/90/489678490.db2.gz XHZPDIQEXIZRCA-LSDHHAIUSA-N 1 3 353.511 0.603 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418294966 489689458 /nfs/dbraw/zinc/68/94/58/489689458.db2.gz IQHLICWDXFZVMT-UHFFFAOYSA-N 1 3 353.511 0.844 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCCN2CCCO)CCCO1 ZINC000458709378 489696986 /nfs/dbraw/zinc/69/69/86/489696986.db2.gz CSLVSFRGSVGOHX-SJORKVTESA-N 1 3 356.511 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCCN2CCCO)CCCO1 ZINC000458709378 489696991 /nfs/dbraw/zinc/69/69/91/489696991.db2.gz CSLVSFRGSVGOHX-SJORKVTESA-N 1 3 356.511 0.633 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418486074 489701857 /nfs/dbraw/zinc/70/18/57/489701857.db2.gz IMTQJDKRVWNLEV-UHFFFAOYSA-N 1 3 361.490 0.678 20 0 FCADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418483392 489702101 /nfs/dbraw/zinc/70/21/01/489702101.db2.gz CDDCJSZXIWYGKP-ZWKOTPCHSA-N 1 3 364.490 0.405 20 0 FCADHO C[C@H](C[NH3+])NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418512974 489702802 /nfs/dbraw/zinc/70/28/02/489702802.db2.gz LXNAIDXAGIQPKQ-IAGOWNOFSA-N 1 3 360.506 0.972 20 0 FCADHO CCN(CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418562245 489707087 /nfs/dbraw/zinc/70/70/87/489707087.db2.gz QTISSHVYWRPKOO-MSOLQXFVSA-N 1 3 364.490 0.754 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000418565586 489708169 /nfs/dbraw/zinc/70/81/69/489708169.db2.gz VNTIAMPXUWEETF-LNLFQRSKSA-N 1 3 362.474 0.507 20 0 FCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609332 489709507 /nfs/dbraw/zinc/70/95/07/489709507.db2.gz FHGSIMYPZJSFKB-HZSPNIEDSA-N 1 3 365.444 0.804 20 0 FCADHO COCC1(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[NH2+]CC1 ZINC000418649335 489715664 /nfs/dbraw/zinc/71/56/64/489715664.db2.gz UUULQBKBMLYEDB-MRXNPFEDSA-N 1 3 356.511 0.755 20 0 FCADHO CC(C)C[C@H](NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418725764 489720471 /nfs/dbraw/zinc/72/04/71/489720471.db2.gz PAPSWPAOWBRCRW-JYJNAYRXSA-N 1 3 355.527 0.896 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000418755732 489723516 /nfs/dbraw/zinc/72/35/16/489723516.db2.gz GGYGMZITWPSUND-KRWDZBQOSA-N 1 3 363.506 0.672 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)NCCN1CCCCCC1 ZINC000418793677 489728547 /nfs/dbraw/zinc/72/85/47/489728547.db2.gz OWNNJXRMJMMXFZ-GVDBMIGSSA-N 1 3 365.522 0.666 20 0 FCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000471056160 489729258 /nfs/dbraw/zinc/72/92/58/489729258.db2.gz IZNJBLNHPGASQT-IBGZPJMESA-N 1 3 362.474 0.650 20 0 FCADHO COC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000489841387 489730735 /nfs/dbraw/zinc/73/07/35/489730735.db2.gz RPPGXGYQYOSQMF-IBGZPJMESA-N 1 3 363.502 0.954 20 0 FCADHO CC[NH+]1CCN(c2ccccc2CNCCNS(=O)(=O)N(C)C)CC1 ZINC000459541748 489737948 /nfs/dbraw/zinc/73/79/48/489737948.db2.gz UIQRFCGKUMRORZ-UHFFFAOYSA-N 1 3 369.535 0.314 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831557 489744489 /nfs/dbraw/zinc/74/44/89/489744489.db2.gz GPXDHIYLAHGEAY-ROUUACIJSA-N 1 3 360.502 0.909 20 0 FCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430561166 489745916 /nfs/dbraw/zinc/74/59/16/489745916.db2.gz JXTFFFFQURLHOD-INIZCTEOSA-N 1 3 360.506 0.835 20 0 FCADHO [NH3+]CC1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000430606148 489751934 /nfs/dbraw/zinc/75/19/34/489751934.db2.gz UQDAPQMSYNRBML-UHFFFAOYSA-N 1 3 352.523 0.808 20 0 FCADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608520 489752389 /nfs/dbraw/zinc/75/23/89/489752389.db2.gz FSKFMFRFNSVPIR-WMZOPIPTSA-N 1 3 360.502 0.829 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856026 489759724 /nfs/dbraw/zinc/75/97/24/489759724.db2.gz WFBXBNWIDKLRGS-ROUUACIJSA-N 1 3 360.502 0.863 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000418874528 489769853 /nfs/dbraw/zinc/76/98/53/489769853.db2.gz ZYVWTTYIAWOXNA-HZPDHXFCSA-N 1 3 368.522 0.498 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418883351 489774036 /nfs/dbraw/zinc/77/40/36/489774036.db2.gz UZSHUKHEUVYPOY-ROUUACIJSA-N 1 3 374.485 0.080 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)[C@H]1C[NH3+] ZINC000418885240 489774572 /nfs/dbraw/zinc/77/45/72/489774572.db2.gz YGJMYFGWTVGNRG-XHSDSOJGSA-N 1 3 354.495 0.189 20 0 FCADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)CC1 ZINC000430870075 489774712 /nfs/dbraw/zinc/77/47/12/489774712.db2.gz SCHPSYRVBFTWIY-GOSISDBHSA-N 1 3 374.485 0.743 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H](CN)C1 ZINC000418921425 489792486 /nfs/dbraw/zinc/79/24/86/489792486.db2.gz JJSZWMLKHBWLPY-OLMMMNRUSA-N 1 3 368.522 0.578 20 0 FCADHO CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000570999782 491279228 /nfs/dbraw/zinc/27/92/28/491279228.db2.gz YLFDSDPDBFKBSM-DLBZAZTESA-N 1 3 370.538 0.648 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N(C)Cc1ccccc1 ZINC000418936040 489795884 /nfs/dbraw/zinc/79/58/84/489795884.db2.gz BECSEQNJZOJAOM-DOTOQJQBSA-N 1 3 362.474 0.118 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555888467 491279344 /nfs/dbraw/zinc/27/93/44/491279344.db2.gz SFNSRDJWIPPIBX-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555888467 491279348 /nfs/dbraw/zinc/27/93/48/491279348.db2.gz SFNSRDJWIPPIBX-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)NCCN1CCCCCC1 ZINC000431298674 489800249 /nfs/dbraw/zinc/80/02/49/489800249.db2.gz VAOOLPHEISDUFL-INIZCTEOSA-N 1 3 365.522 0.762 20 0 FCADHO O=C(CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)NCCN1CCCCCC1 ZINC000431298674 489800254 /nfs/dbraw/zinc/80/02/54/489800254.db2.gz VAOOLPHEISDUFL-INIZCTEOSA-N 1 3 365.522 0.762 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000418946856 489800293 /nfs/dbraw/zinc/80/02/93/489800293.db2.gz OXNJFCONNKATQV-XOKHGSTOSA-N 1 3 364.465 0.925 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000418950197 489801755 /nfs/dbraw/zinc/80/17/55/489801755.db2.gz SRSOMICFPONTBB-JLJPHGGASA-N 1 3 364.465 0.925 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000459994352 489812304 /nfs/dbraw/zinc/81/23/04/489812304.db2.gz UWBQLBOIHNJNJK-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO CN(CCCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000419004305 489815289 /nfs/dbraw/zinc/81/52/89/489815289.db2.gz QYCDZCMSDOXJFA-FQEVSTJZSA-N 1 3 358.486 0.837 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023857 489821396 /nfs/dbraw/zinc/82/13/96/489821396.db2.gz KASPDQOFQNPGTE-HOTGVXAUSA-N 1 3 368.522 0.579 20 0 FCADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419024847 489822442 /nfs/dbraw/zinc/82/24/42/489822442.db2.gz LCRZSXVYFZXHDX-GJZGRUSLSA-N 1 3 356.511 0.211 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000419026390 489823349 /nfs/dbraw/zinc/82/33/49/489823349.db2.gz NLXQBKUDZGPJPL-HRCADAONSA-N 1 3 352.523 0.927 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000419026392 489823666 /nfs/dbraw/zinc/82/36/66/489823666.db2.gz NLXQBKUDZGPJPL-XHSDSOJGSA-N 1 3 352.523 0.927 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000419027344 489823731 /nfs/dbraw/zinc/82/37/31/489823731.db2.gz CEDOKQWZKNFPOP-OAHLLOKOSA-N 1 3 368.547 0.708 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419037910 489829538 /nfs/dbraw/zinc/82/95/38/489829538.db2.gz DQOSVXMCQMPHEG-DOTOQJQBSA-N 1 3 368.522 0.720 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000460081674 489847720 /nfs/dbraw/zinc/84/77/20/489847720.db2.gz MHYMAJASNBCGLZ-LJQANCHMSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000460081674 489847724 /nfs/dbraw/zinc/84/77/24/489847724.db2.gz MHYMAJASNBCGLZ-LJQANCHMSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000460084553 489848580 /nfs/dbraw/zinc/84/85/80/489848580.db2.gz VETTTXNSPXFJJF-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419095583 489854289 /nfs/dbraw/zinc/85/42/89/489854289.db2.gz ATZMNDGNNKHNFE-YYIAUSFCSA-N 1 3 350.507 0.871 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419099489 489855314 /nfs/dbraw/zinc/85/53/14/489855314.db2.gz DUXCCGXVTRWJJC-DLBZAZTESA-N 1 3 358.486 0.881 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433166969 489869954 /nfs/dbraw/zinc/86/99/54/489869954.db2.gz YYMBTXXRYDSTGT-KRWDZBQOSA-N 1 3 353.555 0.580 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419982267 489872371 /nfs/dbraw/zinc/87/23/71/489872371.db2.gz BCKZWMBXOVWDJJ-BZUAXINKSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@H]1CN(CCCNC(=O)NCC2CC[NH+](CCO)CC2)CCCO1 ZINC000433333331 489876817 /nfs/dbraw/zinc/87/68/17/489876817.db2.gz GFPBCKCRVYCUHB-INIZCTEOSA-N 1 3 356.511 0.491 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420003603 489878426 /nfs/dbraw/zinc/87/84/26/489878426.db2.gz TVFFUURMZFUZRK-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420031620 489887251 /nfs/dbraw/zinc/88/72/51/489887251.db2.gz HKAWPNWRGRTINR-HIFRSBDPSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccn(CCN(C)C)n2)CCCO1 ZINC000433516125 489889874 /nfs/dbraw/zinc/88/98/74/489889874.db2.gz NEPVIWXUNRNIFO-HNNXBMFYSA-N 1 3 352.483 1.067 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CCN(C)C)n2)CCCO1 ZINC000433516125 489889878 /nfs/dbraw/zinc/88/98/78/489889878.db2.gz NEPVIWXUNRNIFO-HNNXBMFYSA-N 1 3 352.483 1.067 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@H]1C ZINC000420047033 489892847 /nfs/dbraw/zinc/89/28/47/489892847.db2.gz VWHQYEQZHBQIIZ-KBXIAJHMSA-N 1 3 354.495 0.547 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@H]1C ZINC000420047033 489892848 /nfs/dbraw/zinc/89/28/48/489892848.db2.gz VWHQYEQZHBQIIZ-KBXIAJHMSA-N 1 3 354.495 0.547 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420047127 489892942 /nfs/dbraw/zinc/89/29/42/489892942.db2.gz WBWVALRSZBQJFP-SOUVJXGZSA-N 1 3 352.479 0.302 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H](CN)C3CCCC3)C2)CC1 ZINC000420058064 489896426 /nfs/dbraw/zinc/89/64/26/489896426.db2.gz DTERSGAQZWVYMP-IAGOWNOFSA-N 1 3 350.507 0.810 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000420065160 489899927 /nfs/dbraw/zinc/89/99/27/489899927.db2.gz XDEBUAHCOBXESQ-UHFFFAOYSA-N 1 3 350.463 0.439 20 0 FCADHO CCCN(CCC(=O)N1CCN(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC000433853831 489902900 /nfs/dbraw/zinc/90/29/00/489902900.db2.gz MEGFNTFPPQJBJY-UHFFFAOYSA-N 1 3 360.506 0.979 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420080876 489905024 /nfs/dbraw/zinc/90/50/24/489905024.db2.gz HIJMBPQFEIJKJZ-KRWDZBQOSA-N 1 3 368.522 0.579 20 0 FCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420109202 489915351 /nfs/dbraw/zinc/91/53/51/489915351.db2.gz ANDKGSWXDFCCKR-ILXRZTDVSA-N 1 3 354.495 0.058 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420110105 489915490 /nfs/dbraw/zinc/91/54/90/489915490.db2.gz VSVNEAINKVACHH-SFHVURJKSA-N 1 3 350.463 0.676 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576192 489924552 /nfs/dbraw/zinc/92/45/52/489924552.db2.gz AIMIIUIIRBVILA-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576192 489924559 /nfs/dbraw/zinc/92/45/59/489924559.db2.gz AIMIIUIIRBVILA-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420173068 489939694 /nfs/dbraw/zinc/93/96/94/489939694.db2.gz WJBATKOJNNPQQJ-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420197160 489948799 /nfs/dbraw/zinc/94/87/99/489948799.db2.gz LIJYKHKDFWNYLW-ZFWWWQNUSA-N 1 3 352.504 0.882 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420201971 489950029 /nfs/dbraw/zinc/95/00/29/489950029.db2.gz NQWTUURJNRHJCX-WBVHZDCISA-N 1 3 364.465 0.960 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420206596 489952259 /nfs/dbraw/zinc/95/22/59/489952259.db2.gz WGVVLUIYARNOKE-QGZVFWFLSA-N 1 3 366.506 0.206 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420206596 489952264 /nfs/dbraw/zinc/95/22/64/489952264.db2.gz WGVVLUIYARNOKE-QGZVFWFLSA-N 1 3 366.506 0.206 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420215126 489954845 /nfs/dbraw/zinc/95/48/45/489954845.db2.gz RWHACKOJGMQHKV-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000420373300 489968346 /nfs/dbraw/zinc/96/83/46/489968346.db2.gz GAEANMIKSNDTRC-SZMVWBNQSA-N 1 3 352.523 0.757 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477639160 489980148 /nfs/dbraw/zinc/98/01/48/489980148.db2.gz DVWDIJHYJAIKGX-MRXNPFEDSA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477639160 489980150 /nfs/dbraw/zinc/98/01/50/489980150.db2.gz DVWDIJHYJAIKGX-MRXNPFEDSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H](C(=O)NC(N)=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378003120 489994195 /nfs/dbraw/zinc/99/41/95/489994195.db2.gz LYUKMSMEEGQRPL-CQSZACIVSA-N 1 3 353.511 0.698 20 0 FCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCOCCN(C)C)([NH+](C)C)C1 ZINC000478013387 490000052 /nfs/dbraw/zinc/00/00/52/490000052.db2.gz CVMVLJNTBLZVDV-CRAIPNDOSA-N 1 3 356.511 0.308 20 0 FCADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCOCCN(C)C)([NH+](C)C)C1 ZINC000478013388 490000105 /nfs/dbraw/zinc/00/01/05/490000105.db2.gz CVMVLJNTBLZVDV-MAUKXSAKSA-N 1 3 356.511 0.308 20 0 FCADHO CC(C)N(CCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443057333 490065577 /nfs/dbraw/zinc/06/55/77/490065577.db2.gz GHYSOZDHKZKMFV-HNNXBMFYSA-N 1 3 362.540 0.224 20 0 FCADHO COCC1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000479201456 490073314 /nfs/dbraw/zinc/07/33/14/490073314.db2.gz GMMLWYCORWZSIT-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556206282 491302859 /nfs/dbraw/zinc/30/28/59/491302859.db2.gz KPVHDOFIVGXRDC-WMLDXEAASA-N 1 3 356.536 0.531 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000465951606 490156372 /nfs/dbraw/zinc/15/63/72/490156372.db2.gz NUGNOUBKNDEWBF-DLBZAZTESA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000465951606 490156385 /nfs/dbraw/zinc/15/63/85/490156385.db2.gz NUGNOUBKNDEWBF-DLBZAZTESA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548748 490160419 /nfs/dbraw/zinc/16/04/19/490160419.db2.gz OQBMPWGFOFTFRY-OLZOCXBDSA-N 1 3 351.417 0.558 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603725 490216200 /nfs/dbraw/zinc/21/62/00/490216200.db2.gz APVUMJYAYKPYEQ-HKUYNNGSSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603725 490216203 /nfs/dbraw/zinc/21/62/03/490216203.db2.gz APVUMJYAYKPYEQ-HKUYNNGSSA-N 1 3 354.539 0.877 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093982 490298182 /nfs/dbraw/zinc/29/81/82/490298182.db2.gz FKDQDUVSDFDLAS-OAHLLOKOSA-N 1 3 350.463 0.884 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093982 490298186 /nfs/dbraw/zinc/29/81/86/490298186.db2.gz FKDQDUVSDFDLAS-OAHLLOKOSA-N 1 3 350.463 0.884 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000483333301 490308609 /nfs/dbraw/zinc/30/86/09/490308609.db2.gz LLCRLLIFHUMBJI-ZACQAIPSSA-N 1 3 368.522 0.593 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)CCSCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000498633372 490320067 /nfs/dbraw/zinc/32/00/67/490320067.db2.gz DFHQSFRFRKLMHJ-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)CCSCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000498633372 490320069 /nfs/dbraw/zinc/32/00/69/490320069.db2.gz DFHQSFRFRKLMHJ-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2conc2C(C)(C)N)CC1 ZINC000564668287 491319597 /nfs/dbraw/zinc/31/95/97/491319597.db2.gz RPNVOYACEXTHIP-UHFFFAOYSA-N 1 3 351.451 0.495 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000422488599 490355141 /nfs/dbraw/zinc/35/51/41/490355141.db2.gz KLJPAZMQVBZIRT-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000422488599 490355147 /nfs/dbraw/zinc/35/51/47/490355147.db2.gz KLJPAZMQVBZIRT-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522309424 490369987 /nfs/dbraw/zinc/36/99/87/490369987.db2.gz NCUGTBZCLNSMNQ-GOEBONIOSA-N 1 3 351.495 0.465 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522309424 490369992 /nfs/dbraw/zinc/36/99/92/490369992.db2.gz NCUGTBZCLNSMNQ-GOEBONIOSA-N 1 3 351.495 0.465 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000468317214 490385783 /nfs/dbraw/zinc/38/57/83/490385783.db2.gz HJAXZKMWSVLQOV-UHFFFAOYSA-N 1 3 355.527 0.912 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C3CCCCC3)CC2)CC1=O ZINC000484111223 490385801 /nfs/dbraw/zinc/38/58/01/490385801.db2.gz KVLQSKVAZHLKPC-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CC1[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449820093 490430908 /nfs/dbraw/zinc/43/09/08/490430908.db2.gz UAZDKINKLGCIFI-DTTOXWODSA-N 1 3 360.502 0.574 20 0 FCADHO CC1[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449820093 490430912 /nfs/dbraw/zinc/43/09/12/490430912.db2.gz UAZDKINKLGCIFI-DTTOXWODSA-N 1 3 360.502 0.574 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000523207879 490448596 /nfs/dbraw/zinc/44/85/96/490448596.db2.gz BWJGWVRPRHELEC-QGZVFWFLSA-N 1 3 367.538 0.912 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210431 490449919 /nfs/dbraw/zinc/44/99/19/490449919.db2.gz ZEQABIPVQIVJFW-SJORKVTESA-N 1 3 367.538 0.959 20 0 FCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210431 490449923 /nfs/dbraw/zinc/44/99/23/490449923.db2.gz ZEQABIPVQIVJFW-SJORKVTESA-N 1 3 367.538 0.959 20 0 FCADHO Cc1cc(NC(=O)C(=O)NCCOCC[NH+](C)C)ccc1CN(C)C ZINC000411421412 490456109 /nfs/dbraw/zinc/45/61/09/490456109.db2.gz KIHXAFSYUMQJHI-UHFFFAOYSA-N 1 3 350.463 0.690 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000509739907 490459376 /nfs/dbraw/zinc/45/93/76/490459376.db2.gz WTBNCDZUMCDHCY-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000509739907 490459378 /nfs/dbraw/zinc/45/93/78/490459378.db2.gz WTBNCDZUMCDHCY-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO CCOC(=O)C1([C@@H](C)N[C@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846245 490485223 /nfs/dbraw/zinc/48/52/23/490485223.db2.gz FEPIQQFWRBHWFS-HUUCEWRRSA-N 1 3 355.479 0.535 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548440303 490485411 /nfs/dbraw/zinc/48/54/11/490485411.db2.gz KEYVGTDBZUAWGA-NQIIRXRSSA-N 1 3 374.529 0.766 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000548440303 490485416 /nfs/dbraw/zinc/48/54/16/490485416.db2.gz KEYVGTDBZUAWGA-NQIIRXRSSA-N 1 3 374.529 0.766 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCC1 ZINC000500450776 490517948 /nfs/dbraw/zinc/51/79/48/490517948.db2.gz WSUCCJOCLSCUMY-UHFFFAOYSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510807369 490541171 /nfs/dbraw/zinc/54/11/71/490541171.db2.gz BOCLPQJNFPJYOD-IAGOWNOFSA-N 1 3 360.568 0.853 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C[C@@H]21 ZINC000571873089 491334558 /nfs/dbraw/zinc/33/45/58/491334558.db2.gz CQHVFZUNWQJEDU-BDXSIMOUSA-N 1 3 356.470 0.350 20 0 FCADHO O=C1COc2ccc(C[NH2+]CCCCN3CCN(CCO)CC3)cc2N1 ZINC000511080741 490559897 /nfs/dbraw/zinc/55/98/97/490559897.db2.gz KADZBLNBSWOAPY-UHFFFAOYSA-N 1 3 362.474 0.497 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485818997 490561106 /nfs/dbraw/zinc/56/11/06/490561106.db2.gz RFRXMSIQNVFCDQ-CQSZACIVSA-N 1 3 364.494 0.822 20 0 FCADHO C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214938 490571645 /nfs/dbraw/zinc/57/16/45/490571645.db2.gz GLRNUUWVVNMQBV-NVXWUHKLSA-N 1 3 365.522 0.879 20 0 FCADHO C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214938 490571649 /nfs/dbraw/zinc/57/16/49/490571649.db2.gz GLRNUUWVVNMQBV-NVXWUHKLSA-N 1 3 365.522 0.879 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N(C)C1CC1 ZINC000572037386 491344617 /nfs/dbraw/zinc/34/46/17/491344617.db2.gz GKGWKVMRQGGEIQ-XOKHGSTOSA-N 1 3 366.506 0.079 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(C(C)(C)C)n1 ZINC000527124030 490701547 /nfs/dbraw/zinc/70/15/47/490701547.db2.gz CXTAFSVOTBSQJS-UHFFFAOYSA-N 1 3 366.510 0.837 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000572096621 491348414 /nfs/dbraw/zinc/34/84/14/491348414.db2.gz QOCDBNRNLFCTST-MRXNPFEDSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000502795964 490721964 /nfs/dbraw/zinc/72/19/64/490721964.db2.gz NAOMEEQSVVCDQL-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000502795964 490721967 /nfs/dbraw/zinc/72/19/67/490721967.db2.gz NAOMEEQSVVCDQL-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000502795964 490721969 /nfs/dbraw/zinc/72/19/69/490721969.db2.gz NAOMEEQSVVCDQL-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H]1c1ccccc1F ZINC000514725561 490784526 /nfs/dbraw/zinc/78/45/26/490784526.db2.gz MZKVDFNQJYJHBX-DUVNUKRYSA-N 1 3 358.421 0.736 20 0 FCADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000515310049 490817129 /nfs/dbraw/zinc/81/71/29/490817129.db2.gz LPLHDTWLAVJEOW-MSOLQXFVSA-N 1 3 363.506 0.942 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000557336415 491368607 /nfs/dbraw/zinc/36/86/07/491368607.db2.gz RPQURTIDYIKYNW-UHFFFAOYSA-N 1 3 354.495 0.062 20 0 FCADHO Cc1cc(NC(=O)CC[NH2+]CC2(N3CCOCC3)CCN(C)CC2)no1 ZINC000516863269 490881451 /nfs/dbraw/zinc/88/14/51/490881451.db2.gz YSWCQBBQHWHRNQ-UHFFFAOYSA-N 1 3 365.478 0.698 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966303 490926504 /nfs/dbraw/zinc/92/65/04/490926504.db2.gz VXZGMGHKEJAHLC-MSOLQXFVSA-N 1 3 371.485 0.388 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966303 490926507 /nfs/dbraw/zinc/92/65/07/490926507.db2.gz VXZGMGHKEJAHLC-MSOLQXFVSA-N 1 3 371.485 0.388 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000530880704 490929777 /nfs/dbraw/zinc/92/97/77/490929777.db2.gz PGRRRKRRZUXYGO-UHFFFAOYSA-N 1 3 355.483 0.049 20 0 FCADHO CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218827 490933641 /nfs/dbraw/zinc/93/36/41/490933641.db2.gz MXBKPAAWMIZOSD-BRWVUGGUSA-N 1 3 365.522 0.696 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000557293903 491365466 /nfs/dbraw/zinc/36/54/66/491365466.db2.gz BCLCMTLMORYXDJ-UHFFFAOYSA-N 1 3 358.486 0.318 20 0 FCADHO C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062787 490938805 /nfs/dbraw/zinc/93/88/05/490938805.db2.gz GTKTXEGBFROQIG-NQIIRXRSSA-N 1 3 374.529 0.623 20 0 FCADHO C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062787 490938806 /nfs/dbraw/zinc/93/88/06/490938806.db2.gz GTKTXEGBFROQIG-NQIIRXRSSA-N 1 3 374.529 0.623 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000557295442 491365976 /nfs/dbraw/zinc/36/59/76/491365976.db2.gz GUXMMGPNOSPQAI-GASCZTMLSA-N 1 3 358.486 0.869 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000557295442 491365978 /nfs/dbraw/zinc/36/59/78/491365978.db2.gz GUXMMGPNOSPQAI-GASCZTMLSA-N 1 3 358.486 0.869 20 0 FCADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565255358 491366518 /nfs/dbraw/zinc/36/65/18/491366518.db2.gz RRZGZGMFZMQXHO-SJORKVTESA-N 1 3 359.474 0.592 20 0 FCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565255358 491366520 /nfs/dbraw/zinc/36/65/20/491366520.db2.gz RRZGZGMFZMQXHO-SJORKVTESA-N 1 3 359.474 0.592 20 0 FCADHO CNC(=O)c1cccc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000565276246 491367529 /nfs/dbraw/zinc/36/75/29/491367529.db2.gz OZSMCKAWQHWACR-UHFFFAOYSA-N 1 3 363.506 0.724 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000544628884 490973945 /nfs/dbraw/zinc/97/39/45/490973945.db2.gz WLDJYTQCDRWJTR-MRXNPFEDSA-N 1 3 350.463 0.815 20 0 FCADHO CSC1(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[NH+](C)CC1 ZINC000569518931 491165849 /nfs/dbraw/zinc/16/58/49/491165849.db2.gz YEYRTICSDFUGGY-MRXNPFEDSA-N 1 3 371.595 0.997 20 0 FCADHO CN1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526658 491171671 /nfs/dbraw/zinc/17/16/71/491171671.db2.gz NSBXPFGTINEYTN-NRFANRHFSA-N 1 3 374.529 0.766 20 0 FCADHO CN1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526658 491171675 /nfs/dbraw/zinc/17/16/75/491171675.db2.gz NSBXPFGTINEYTN-NRFANRHFSA-N 1 3 374.529 0.766 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000572509523 491375616 /nfs/dbraw/zinc/37/56/16/491375616.db2.gz NUDCGWQSQCBYRP-CVEARBPZSA-N 1 3 356.511 0.402 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000572509523 491375617 /nfs/dbraw/zinc/37/56/17/491375617.db2.gz NUDCGWQSQCBYRP-CVEARBPZSA-N 1 3 356.511 0.402 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H]1c1ccccc1F ZINC000565475270 491379124 /nfs/dbraw/zinc/37/91/24/491379124.db2.gz ISLIZTGDYFYAKY-IVMMDQJWSA-N 1 3 358.421 0.909 20 0 FCADHO Cc1csc([C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000557805330 491398979 /nfs/dbraw/zinc/39/89/79/491398979.db2.gz PZRJTIGOYFANQV-CYBMUJFWSA-N 1 3 369.535 0.623 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCC1 ZINC000668360350 493340546 /nfs/dbraw/zinc/34/05/46/493340546.db2.gz ZTVDSAOTZGNHRS-INIZCTEOSA-N 1 3 366.506 0.347 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573132130 491414961 /nfs/dbraw/zinc/41/49/61/491414961.db2.gz JHCKLDIBWYBRIU-SJORKVTESA-N 1 3 366.506 0.033 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000573202220 491418908 /nfs/dbraw/zinc/41/89/08/491418908.db2.gz QPDPZIXNKQRXOB-ZWKOTPCHSA-N 1 3 358.486 0.932 20 0 FCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000566167755 491422442 /nfs/dbraw/zinc/42/24/42/491422442.db2.gz KVJHDFWNJHTFDH-DLBZAZTESA-N 1 3 360.458 0.699 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000566199449 491424826 /nfs/dbraw/zinc/42/48/26/491424826.db2.gz WYRPVFZFJUZIGB-IPMKNSEASA-N 1 3 370.497 0.978 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000566197815 491424917 /nfs/dbraw/zinc/42/49/17/491424917.db2.gz QOWUUZHDOYMKSI-ZWKOTPCHSA-N 1 3 374.485 0.262 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000558412997 491429413 /nfs/dbraw/zinc/42/94/13/491429413.db2.gz XCVPNTFKUGYEHE-HOTGVXAUSA-N 1 3 350.507 0.847 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000558412997 491429415 /nfs/dbraw/zinc/42/94/15/491429415.db2.gz XCVPNTFKUGYEHE-HOTGVXAUSA-N 1 3 350.507 0.847 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348242 491438408 /nfs/dbraw/zinc/43/84/08/491438408.db2.gz QZPBJIYWTLKQFN-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000566396676 491441013 /nfs/dbraw/zinc/44/10/13/491441013.db2.gz FDYSPMWLZIVLNH-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000566396676 491441014 /nfs/dbraw/zinc/44/10/14/491441014.db2.gz FDYSPMWLZIVLNH-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](COC)C(=O)OC)CC2)CC1 ZINC000566449021 491444714 /nfs/dbraw/zinc/44/47/14/491444714.db2.gz OTQYILHGRAFVOM-MRXNPFEDSA-N 1 3 355.479 0.487 20 0 FCADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](CN)C1 ZINC000574262790 491484608 /nfs/dbraw/zinc/48/46/08/491484608.db2.gz SIWICNWAKOGPQV-KRWDZBQOSA-N 1 3 365.522 0.001 20 0 FCADHO CN1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262110 491484726 /nfs/dbraw/zinc/48/47/26/491484726.db2.gz GVWIHKMXCKQFHF-QZTJIDSGSA-N 1 3 361.490 0.038 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398049 491493595 /nfs/dbraw/zinc/49/35/95/491493595.db2.gz ZJHXEBRFBQGVCR-HZPDHXFCSA-N 1 3 363.510 0.034 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000567381828 491503163 /nfs/dbraw/zinc/50/31/63/491503163.db2.gz MTFWEHYQPSZVEC-HNNXBMFYSA-N 1 3 368.547 0.723 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868017 491507016 /nfs/dbraw/zinc/50/70/16/491507016.db2.gz WZKJZBFNHIEXDI-SUYBPPKGSA-N 1 3 354.520 0.139 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1)C[NH+](C)C ZINC000559973198 491512909 /nfs/dbraw/zinc/51/29/09/491512909.db2.gz MNNHCHABGQXFIJ-CQSZACIVSA-N 1 3 350.463 0.879 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560027863 491516442 /nfs/dbraw/zinc/51/64/42/491516442.db2.gz MOJZQRSGUUKVGD-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560027863 491516443 /nfs/dbraw/zinc/51/64/43/491516443.db2.gz MOJZQRSGUUKVGD-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CC1CCN(C[C@H](O)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804695 491530782 /nfs/dbraw/zinc/53/07/82/491530782.db2.gz URZKLSIBRUZETG-LSDHHAIUSA-N 1 3 350.467 0.025 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000560596924 491546546 /nfs/dbraw/zinc/54/65/46/491546546.db2.gz YWTGALVHYWTKMG-YYIAUSFCSA-N 1 3 368.522 0.543 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000560596924 491546549 /nfs/dbraw/zinc/54/65/49/491546549.db2.gz YWTGALVHYWTKMG-YYIAUSFCSA-N 1 3 368.522 0.543 20 0 FCADHO COC1CCC(C)(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000575600619 491555674 /nfs/dbraw/zinc/55/56/74/491555674.db2.gz YKDXORJVQMFPDU-UHFFFAOYSA-N 1 3 370.538 0.650 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000576015913 491576406 /nfs/dbraw/zinc/57/64/06/491576406.db2.gz FOMXRPGYELZSTB-XDNAFOTISA-N 1 3 362.518 0.968 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000568628496 491593887 /nfs/dbraw/zinc/59/38/87/491593887.db2.gz SRVKEGHZMQLZNA-QGZVFWFLSA-N 1 3 361.490 0.349 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000577163163 491597380 /nfs/dbraw/zinc/59/73/80/491597380.db2.gz YMWOCGHAKYLBEP-MRXNPFEDSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520253 491600189 /nfs/dbraw/zinc/60/01/89/491600189.db2.gz LKKKHMAQMYSETJ-KBPBESRZSA-N 1 3 352.479 0.302 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000577192341 491600494 /nfs/dbraw/zinc/60/04/94/491600494.db2.gz FMLCHWNREGZFDF-AWEZNQCLSA-N 1 3 352.479 0.004 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000577554955 491632152 /nfs/dbraw/zinc/63/21/52/491632152.db2.gz NSMQUCCHWVKXKV-CVEARBPZSA-N 1 3 366.506 0.370 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000577554955 491632154 /nfs/dbraw/zinc/63/21/54/491632154.db2.gz NSMQUCCHWVKXKV-CVEARBPZSA-N 1 3 366.506 0.370 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000576663926 491634117 /nfs/dbraw/zinc/63/41/17/491634117.db2.gz NYJJQICALXPLQD-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000576663926 491634119 /nfs/dbraw/zinc/63/41/19/491634119.db2.gz NYJJQICALXPLQD-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703532 491637515 /nfs/dbraw/zinc/63/75/15/491637515.db2.gz JYZQOCDISXXDKP-CVEARBPZSA-N 1 3 366.458 0.837 20 0 FCADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000577748515 491648846 /nfs/dbraw/zinc/64/88/46/491648846.db2.gz CIUNRHJECCQXPI-HNNXBMFYSA-N 1 3 350.467 0.025 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798400 491652976 /nfs/dbraw/zinc/65/29/76/491652976.db2.gz PCGHDFSDBOKENK-PBHICJAKSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900451 491654964 /nfs/dbraw/zinc/65/49/64/491654964.db2.gz CXGVOWSDCZRWCO-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900451 491654968 /nfs/dbraw/zinc/65/49/68/491654968.db2.gz CXGVOWSDCZRWCO-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000569356611 491655386 /nfs/dbraw/zinc/65/53/86/491655386.db2.gz HBVSJOKDWDIQJF-CQSZACIVSA-N 1 3 371.445 0.186 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000578209049 491672200 /nfs/dbraw/zinc/67/22/00/491672200.db2.gz JXZZHUJFDRWCMJ-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000578769037 491683941 /nfs/dbraw/zinc/68/39/41/491683941.db2.gz IMZPALWTUHELJN-UHFFFAOYSA-N 1 3 365.503 0.999 20 0 FCADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359990 491696382 /nfs/dbraw/zinc/69/63/82/491696382.db2.gz YYNQVNMJMIPGBH-ZWKOTPCHSA-N 1 3 372.517 0.979 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000579469194 491698418 /nfs/dbraw/zinc/69/84/18/491698418.db2.gz STSSLWFKGVGNHS-AWEZNQCLSA-N 1 3 364.494 0.649 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000579715224 491703705 /nfs/dbraw/zinc/70/37/05/491703705.db2.gz UIDDBJDJFPIRFA-XHSDSOJGSA-N 1 3 354.495 0.250 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](OC)C(=O)OC)CC2)CC1 ZINC000579731688 491704092 /nfs/dbraw/zinc/70/40/92/491704092.db2.gz UXLLCOXGDWENHV-MRXNPFEDSA-N 1 3 355.479 0.487 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584778590 491714047 /nfs/dbraw/zinc/71/40/47/491714047.db2.gz PNMOVXBXFFCZSZ-YOEHRIQHSA-N 1 3 359.474 0.591 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584793679 491714721 /nfs/dbraw/zinc/71/47/21/491714721.db2.gz RLQLKXCOAZFZOH-SPUZQDLCSA-N 1 3 371.485 0.460 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584793679 491714723 /nfs/dbraw/zinc/71/47/23/491714723.db2.gz RLQLKXCOAZFZOH-SPUZQDLCSA-N 1 3 371.485 0.460 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000580493560 491733528 /nfs/dbraw/zinc/73/35/28/491733528.db2.gz JXTIKPNXOZGGBN-OAHLLOKOSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000580493560 491733529 /nfs/dbraw/zinc/73/35/29/491733529.db2.gz JXTIKPNXOZGGBN-OAHLLOKOSA-N 1 3 355.527 0.957 20 0 FCADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580785576 491745709 /nfs/dbraw/zinc/74/57/09/491745709.db2.gz GHNXEPWEAVEGDK-PVAVHDDUSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580785576 491745711 /nfs/dbraw/zinc/74/57/11/491745711.db2.gz GHNXEPWEAVEGDK-PVAVHDDUSA-N 1 3 359.474 0.460 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135335 491760772 /nfs/dbraw/zinc/76/07/72/491760772.db2.gz FBVJNVLYGAOXPZ-HOTGVXAUSA-N 1 3 363.510 0.500 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135335 491760774 /nfs/dbraw/zinc/76/07/74/491760774.db2.gz FBVJNVLYGAOXPZ-HOTGVXAUSA-N 1 3 363.510 0.500 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135336 491760958 /nfs/dbraw/zinc/76/09/58/491760958.db2.gz FBVJNVLYGAOXPZ-HZPDHXFCSA-N 1 3 363.510 0.500 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135336 491760960 /nfs/dbraw/zinc/76/09/60/491760960.db2.gz FBVJNVLYGAOXPZ-HZPDHXFCSA-N 1 3 363.510 0.500 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000581500305 491775452 /nfs/dbraw/zinc/77/54/52/491775452.db2.gz MXOUUOGRAIWUSN-RTBURBONSA-N 1 3 372.513 0.878 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000581717134 491783950 /nfs/dbraw/zinc/78/39/50/491783950.db2.gz YNWZDUKQKBPKKF-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000581717134 491783951 /nfs/dbraw/zinc/78/39/51/491783951.db2.gz YNWZDUKQKBPKKF-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581895889 491789453 /nfs/dbraw/zinc/78/94/53/491789453.db2.gz RXFGDHHDPZPJNZ-HRCADAONSA-N 1 3 351.495 0.450 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000582545801 491817167 /nfs/dbraw/zinc/81/71/67/491817167.db2.gz IJDXTLXLAZQYLS-SQNIBIBYSA-N 1 3 351.491 0.985 20 0 FCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000582653476 491821224 /nfs/dbraw/zinc/82/12/24/491821224.db2.gz DUAVEXWNHJNBBA-OAHLLOKOSA-N 1 3 362.474 0.744 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668815 491821886 /nfs/dbraw/zinc/82/18/86/491821886.db2.gz MFMRLMFENJMCCJ-YALNPMBYSA-N 1 3 363.506 0.606 20 0 FCADHO CCN(CCO)CCNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000583272485 491841491 /nfs/dbraw/zinc/84/14/91/491841491.db2.gz MEUOCJBSAUGXDY-UHFFFAOYSA-N 1 3 354.539 0.613 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000583312205 491842015 /nfs/dbraw/zinc/84/20/15/491842015.db2.gz OABDCXGACUGDST-OWCLPIDISA-N 1 3 351.495 0.452 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000583312202 491842025 /nfs/dbraw/zinc/84/20/25/491842025.db2.gz OABDCXGACUGDST-ARFHVFGLSA-N 1 3 351.495 0.452 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000583452567 491845394 /nfs/dbraw/zinc/84/53/94/491845394.db2.gz PHRBPSKEBBNCJH-MWDXBVQZSA-N 1 3 350.507 0.809 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000583476980 491845686 /nfs/dbraw/zinc/84/56/86/491845686.db2.gz BOWSNCOXVHGYLV-JKSUJKDBSA-N 1 3 368.522 0.489 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN3CCOCC3)CC2)CC1 ZINC000584010892 491856692 /nfs/dbraw/zinc/85/66/92/491856692.db2.gz PUVZNVKKUAKFTE-UHFFFAOYSA-N 1 3 352.523 0.631 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000611642294 491864261 /nfs/dbraw/zinc/86/42/61/491864261.db2.gz WQKJRAIHPMAPOJ-XHSDSOJGSA-N 1 3 350.507 0.964 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263553 491908700 /nfs/dbraw/zinc/90/87/00/491908700.db2.gz FEVRAEHPEKNLKF-SJORKVTESA-N 1 3 372.473 0.251 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612541032 491931015 /nfs/dbraw/zinc/93/10/15/491931015.db2.gz BLXURBFBLDAMOV-QGZVFWFLSA-N 1 3 350.507 0.825 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546006 491931872 /nfs/dbraw/zinc/93/18/72/491931872.db2.gz OFHGNGSZQMRSIP-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916383 491958497 /nfs/dbraw/zinc/95/84/97/491958497.db2.gz PHRJELISBDALCE-HUUCEWRRSA-N 1 3 361.494 0.318 20 0 FCADHO [NH3+][C@@H](CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612914483 491958603 /nfs/dbraw/zinc/95/86/03/491958603.db2.gz FDKROKQFGWSDBV-GJZGRUSLSA-N 1 3 361.494 0.446 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612929146 491959049 /nfs/dbraw/zinc/95/90/49/491959049.db2.gz IFEGUXXKPQJLJC-SOUVJXGZSA-N 1 3 363.510 0.834 20 0 FCADHO COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000615237611 492080975 /nfs/dbraw/zinc/08/09/75/492080975.db2.gz VGWZRIXSFCAYAL-UHFFFAOYSA-N 1 3 367.450 0.000 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552653 492303459 /nfs/dbraw/zinc/30/34/59/492303459.db2.gz OPORLZAZMMLITI-ZWKOTPCHSA-N 1 3 358.486 0.822 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552653 492303461 /nfs/dbraw/zinc/30/34/61/492303461.db2.gz OPORLZAZMMLITI-ZWKOTPCHSA-N 1 3 358.486 0.822 20 0 FCADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505009 492325605 /nfs/dbraw/zinc/32/56/05/492325605.db2.gz RMGOPROLXRQJDP-MRXNPFEDSA-N 1 3 359.474 0.625 20 0 FCADHO COc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000627513508 492329028 /nfs/dbraw/zinc/32/90/28/492329028.db2.gz HJCUSCLTPRCXCV-UHFFFAOYSA-N 1 3 350.463 0.894 20 0 FCADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000647597330 492332202 /nfs/dbraw/zinc/33/22/02/492332202.db2.gz DPNPAANIDGELII-HOTGVXAUSA-N 1 3 367.538 0.245 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000642119460 492336756 /nfs/dbraw/zinc/33/67/56/492336756.db2.gz RPCWAYJGDJTONB-BZUAXINKSA-N 1 3 368.522 0.578 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642254037 492345273 /nfs/dbraw/zinc/34/52/73/492345273.db2.gz ZYOBDBGWUPOXPN-QZTJIDSGSA-N 1 3 358.486 0.883 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCNC3=O)CC2)CC1 ZINC000654759129 492346980 /nfs/dbraw/zinc/34/69/80/492346980.db2.gz HOHKETQDZPJZSB-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N(C)Cc1ccccc1 ZINC000642262562 492347124 /nfs/dbraw/zinc/34/71/24/492347124.db2.gz BFWHTVFCBXIRDX-NJAFHUGGSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCO1 ZINC000642330479 492352312 /nfs/dbraw/zinc/35/23/12/492352312.db2.gz MBHYTLPLMJKQHB-QLFBSQMISA-N 1 3 354.495 0.188 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642537968 492362503 /nfs/dbraw/zinc/36/25/03/492362503.db2.gz MDPFZEBTIZKEES-INIZCTEOSA-N 1 3 362.474 0.502 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000642685594 492372566 /nfs/dbraw/zinc/37/25/66/492372566.db2.gz OSLYKVFQIUBBAF-SJLPKXTDSA-N 1 3 374.485 0.454 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000642685667 492372868 /nfs/dbraw/zinc/37/28/68/492372868.db2.gz YFGSYDFQZCCCQL-MRXNPFEDSA-N 1 3 362.474 0.502 20 0 FCADHO O=C(NC[C@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905664 492380436 /nfs/dbraw/zinc/38/04/36/492380436.db2.gz LLPAOFIXBGDPKV-BDXSIMOUSA-N 1 3 350.507 0.430 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642725988 492381111 /nfs/dbraw/zinc/38/11/11/492381111.db2.gz WDFRWBDAWPOGKA-QAPCUYQASA-N 1 3 372.513 0.788 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCSC1 ZINC000642768980 492387444 /nfs/dbraw/zinc/38/74/44/492387444.db2.gz ZZAKQFUCXKEKKK-GOSISDBHSA-N 1 3 368.547 0.532 20 0 FCADHO CN1CCCN(C(=O)c2cc[nH]c2CC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000635077870 492387768 /nfs/dbraw/zinc/38/77/68/492387768.db2.gz LUAJYYRWQLCSOY-UHFFFAOYSA-N 1 3 361.490 0.499 20 0 FCADHO CN1CCCN(C(=O)c2cc[nH]c2CC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000635077870 492387770 /nfs/dbraw/zinc/38/77/70/492387770.db2.gz LUAJYYRWQLCSOY-UHFFFAOYSA-N 1 3 361.490 0.499 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975580 492389586 /nfs/dbraw/zinc/38/95/86/492389586.db2.gz CEBPFFZVDNMOCR-QZWWFDLISA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975581 492389604 /nfs/dbraw/zinc/38/96/04/492389604.db2.gz CEBPFFZVDNMOCR-TWMKSMIVSA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000621650770 492401303 /nfs/dbraw/zinc/40/13/03/492401303.db2.gz CGYNYFIEPLFNPP-AWEZNQCLSA-N 1 3 350.467 0.279 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000642943845 492405686 /nfs/dbraw/zinc/40/56/86/492405686.db2.gz HAHYTJMLRDZMAT-QGZVFWFLSA-N 1 3 359.474 0.754 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000642958551 492406941 /nfs/dbraw/zinc/40/69/41/492406941.db2.gz NTZSJXBDDQVLSI-JYJNAYRXSA-N 1 3 366.506 0.693 20 0 FCADHO NC[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000642960646 492407503 /nfs/dbraw/zinc/40/75/03/492407503.db2.gz QIEYGPMMMUBQJM-QGZVFWFLSA-N 1 3 350.507 0.955 20 0 FCADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643014617 492414237 /nfs/dbraw/zinc/41/42/37/492414237.db2.gz LYVIAZQJGFFECB-ARFHVFGLSA-N 1 3 357.458 0.235 20 0 FCADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1CCN(c3ccncc3)CC1)C2 ZINC000621845394 492425072 /nfs/dbraw/zinc/42/50/72/492425072.db2.gz IRHFUIDQHKSJIY-OXQOHEQNSA-N 1 3 371.485 0.754 20 0 FCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC1(N3CCCC3)CCOCC1)C2 ZINC000621845160 492425410 /nfs/dbraw/zinc/42/54/10/492425410.db2.gz CPXWIWJSOBTNDD-KXBFYZLASA-N 1 3 364.490 0.087 20 0 FCADHO CC[N@H+](C)C[C@@H](O)CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O ZINC000621992152 492438505 /nfs/dbraw/zinc/43/85/05/492438505.db2.gz OAHHWEFAJLLYRS-QGZVFWFLSA-N 1 3 374.485 0.886 20 0 FCADHO CC[N@@H+](C)C[C@@H](O)CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O ZINC000621992152 492438507 /nfs/dbraw/zinc/43/85/07/492438507.db2.gz OAHHWEFAJLLYRS-QGZVFWFLSA-N 1 3 374.485 0.886 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)o1 ZINC000622026229 492442599 /nfs/dbraw/zinc/44/25/99/492442599.db2.gz HDBFEPSVICHBLK-DNVCBOLYSA-N 1 3 362.474 0.818 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)Cc1ccco1 ZINC000622031799 492445659 /nfs/dbraw/zinc/44/56/59/492445659.db2.gz UGVFZJBQSXEAAV-HNAYVOBHSA-N 1 3 362.474 0.900 20 0 FCADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000643478920 492475630 /nfs/dbraw/zinc/47/56/30/492475630.db2.gz QBGVTKXUHZWQRV-UHFFFAOYSA-N 1 3 371.485 0.721 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCO)CCOCCO)CC2)CC1 ZINC000628174983 492477159 /nfs/dbraw/zinc/47/71/59/492477159.db2.gz FTAIQVMZSLAKOJ-UHFFFAOYSA-N 1 3 371.522 0.013 20 0 FCADHO O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1CN1CCCC1 ZINC000643498739 492482403 /nfs/dbraw/zinc/48/24/03/492482403.db2.gz MTJJRZSMCIDZRD-ROUUACIJSA-N 1 3 362.518 0.921 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000643500442 492483112 /nfs/dbraw/zinc/48/31/12/492483112.db2.gz WGDXMEJPKKFXCR-ZWKOTPCHSA-N 1 3 358.486 0.882 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643513590 492486746 /nfs/dbraw/zinc/48/67/46/492486746.db2.gz QYJMDCQGHGEYGW-IRXDYDNUSA-N 1 3 367.538 0.057 20 0 FCADHO NC[C@@H](NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1)C(F)(F)F ZINC000655911980 492486827 /nfs/dbraw/zinc/48/68/27/492486827.db2.gz QBGHQANUPLSRGY-LLVKDONJSA-N 1 3 353.389 0.153 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643531924 492492053 /nfs/dbraw/zinc/49/20/53/492492053.db2.gz WYUWGYRYSXGOBH-IPMKNSEASA-N 1 3 370.497 0.930 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000655976133 492499591 /nfs/dbraw/zinc/49/95/91/492499591.db2.gz ZMKRDQKESGFKAH-BZUAXINKSA-N 1 3 351.495 0.500 20 0 FCADHO Cc1cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000649339433 492538414 /nfs/dbraw/zinc/53/84/14/492538414.db2.gz YXMOHOMDOBEOJI-HNNXBMFYSA-N 1 3 362.478 0.655 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347176 492542923 /nfs/dbraw/zinc/54/29/23/492542923.db2.gz JHGGPLNQXHGRBX-KBPBESRZSA-N 1 3 356.430 0.782 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354744 492546758 /nfs/dbraw/zinc/54/67/58/492546758.db2.gz IOUZZWZIPNHPFN-WBVHZDCISA-N 1 3 371.485 0.999 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354744 492546760 /nfs/dbraw/zinc/54/67/60/492546760.db2.gz IOUZZWZIPNHPFN-WBVHZDCISA-N 1 3 371.485 0.999 20 0 FCADHO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)CC[C@@H]1[NH3+] ZINC000649358933 492547246 /nfs/dbraw/zinc/54/72/46/492547246.db2.gz JFDQBBCMBRENHW-VQHPVUNQSA-N 1 3 350.507 0.905 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656295172 492573452 /nfs/dbraw/zinc/57/34/52/492573452.db2.gz GBERCXWQDGYKKM-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656295172 492573456 /nfs/dbraw/zinc/57/34/56/492573456.db2.gz GBERCXWQDGYKKM-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000636282402 492575029 /nfs/dbraw/zinc/57/50/29/492575029.db2.gz KUDKEAOTRIZODK-SFFUCWETSA-N 1 3 351.491 0.950 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000636282402 492575032 /nfs/dbraw/zinc/57/50/32/492575032.db2.gz KUDKEAOTRIZODK-SFFUCWETSA-N 1 3 351.491 0.950 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289635 492576341 /nfs/dbraw/zinc/57/63/41/492576341.db2.gz XQRBOJOROJLBPW-IAGOWNOFSA-N 1 3 351.491 0.953 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289635 492576343 /nfs/dbraw/zinc/57/63/43/492576343.db2.gz XQRBOJOROJLBPW-IAGOWNOFSA-N 1 3 351.491 0.953 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656301136 492578626 /nfs/dbraw/zinc/57/86/26/492578626.db2.gz HVDMFLSMHMDBOW-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357578 492612094 /nfs/dbraw/zinc/61/20/94/492612094.db2.gz ZMLLTTGCJXWWCG-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357578 492612097 /nfs/dbraw/zinc/61/20/97/492612097.db2.gz ZMLLTTGCJXWWCG-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(C1CCCCC1)N1CCN(CC[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629569140 492647872 /nfs/dbraw/zinc/64/78/72/492647872.db2.gz WGHRBJRJOFFGDW-IBGZPJMESA-N 1 3 366.550 0.757 20 0 FCADHO CN1CCN(c2ncc(CN3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707093 492663551 /nfs/dbraw/zinc/66/35/51/492663551.db2.gz YICJULYDGDLHNG-OTWHNJEPSA-N 1 3 374.533 0.947 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000650797786 492669265 /nfs/dbraw/zinc/66/92/65/492669265.db2.gz DGBFEQAMPLBVML-UHFFFAOYSA-N 1 3 351.495 0.467 20 0 FCADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226422 492672687 /nfs/dbraw/zinc/67/26/87/492672687.db2.gz ITSTYYXLLZUWPJ-CEXWTWQISA-N 1 3 370.497 0.917 20 0 FCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226427 492672729 /nfs/dbraw/zinc/67/27/29/492672729.db2.gz ITSTYYXLLZUWPJ-GBESFXJTSA-N 1 3 370.497 0.917 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000629794329 492674383 /nfs/dbraw/zinc/67/43/83/492674383.db2.gz SLZNJGKGXOUCPU-UHFFFAOYSA-N 1 3 356.417 0.662 20 0 FCADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000629799072 492677800 /nfs/dbraw/zinc/67/78/00/492677800.db2.gz DVIFWHWYYMTMJW-QGZVFWFLSA-N 1 3 362.474 0.153 20 0 FCADHO CCN(CCN)C(=O)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000629810992 492683854 /nfs/dbraw/zinc/68/38/54/492683854.db2.gz AHXRFPBACKCHDA-FQEVSTJZSA-N 1 3 358.486 0.918 20 0 FCADHO CCN(CCN)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000629810992 492683856 /nfs/dbraw/zinc/68/38/56/492683856.db2.gz AHXRFPBACKCHDA-FQEVSTJZSA-N 1 3 358.486 0.918 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC000629813264 492684660 /nfs/dbraw/zinc/68/46/60/492684660.db2.gz IRMZRWMTYQSZNS-VOAKCMCISA-N 1 3 362.396 0.135 20 0 FCADHO O=C(NCCN1CC[C@@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000637036505 492755630 /nfs/dbraw/zinc/75/56/30/492755630.db2.gz LCHQRXWFYMUMLG-QZTJIDSGSA-N 1 3 362.474 0.119 20 0 FCADHO O=C(NCCN1CC[C@@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000637036505 492755632 /nfs/dbraw/zinc/75/56/32/492755632.db2.gz LCHQRXWFYMUMLG-QZTJIDSGSA-N 1 3 362.474 0.119 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439645 492757440 /nfs/dbraw/zinc/75/74/40/492757440.db2.gz RXYPCLOBHOYUCN-IEBWSBKVSA-N 1 3 370.538 0.976 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439645 492757443 /nfs/dbraw/zinc/75/74/43/492757443.db2.gz RXYPCLOBHOYUCN-IEBWSBKVSA-N 1 3 370.538 0.976 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000657874409 492807680 /nfs/dbraw/zinc/80/76/80/492807680.db2.gz RHLUKBAYMOMMCG-UHFFFAOYSA-N 1 3 373.501 0.921 20 0 FCADHO C[C@@H](CNS(=O)(=O)CCCN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000631813575 492857775 /nfs/dbraw/zinc/85/77/75/492857775.db2.gz WHZATCYWRDIYHH-KRWDZBQOSA-N 1 3 360.568 0.664 20 0 FCADHO CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631898784 492872275 /nfs/dbraw/zinc/87/22/75/492872275.db2.gz AJMFAPVPHORUMI-UHFFFAOYSA-N 1 3 374.551 0.288 20 0 FCADHO CN(C)CCn1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000631911140 492878358 /nfs/dbraw/zinc/87/83/58/492878358.db2.gz WSIRPGSPPPVJKY-ROUUACIJSA-N 1 3 363.506 0.942 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000658427169 492885505 /nfs/dbraw/zinc/88/55/05/492885505.db2.gz OAZMLNORWVJAKU-AWEZNQCLSA-N 1 3 364.494 0.935 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000631928156 492889353 /nfs/dbraw/zinc/88/93/53/492889353.db2.gz ROIUNSKSPGSYOH-WMLDXEAASA-N 1 3 356.536 0.864 20 0 FCADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348598 492913019 /nfs/dbraw/zinc/91/30/19/492913019.db2.gz JUXLDSGVPCFAOW-HRCADAONSA-N 1 3 363.524 0.161 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348166 492913325 /nfs/dbraw/zinc/91/33/25/492913325.db2.gz WGJJZDMOODWHLC-JSRQGNBESA-N 1 3 366.506 0.317 20 0 FCADHO CN1CCN(CCCNC(=O)CN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000638137356 492915787 /nfs/dbraw/zinc/91/57/87/492915787.db2.gz JAHNKJRIEBJQIT-LJQANCHMSA-N 1 3 359.518 0.387 20 0 FCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000638137085 492915818 /nfs/dbraw/zinc/91/58/18/492915818.db2.gz RDXRGXVUJHHVKI-ICSRJNTNSA-N 1 3 360.502 0.817 20 0 FCADHO CN1CCN(CCCNC(=O)CN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000638137355 492915854 /nfs/dbraw/zinc/91/58/54/492915854.db2.gz JAHNKJRIEBJQIT-IBGZPJMESA-N 1 3 359.518 0.387 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000652394712 492923114 /nfs/dbraw/zinc/92/31/14/492923114.db2.gz CBIONHGANHNPHO-UHFFFAOYSA-N 1 3 359.474 0.675 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000652447846 492934647 /nfs/dbraw/zinc/93/46/47/492934647.db2.gz GKNDYDLACOXGCP-UHFFFAOYSA-N 1 3 368.522 0.236 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000652447846 492934652 /nfs/dbraw/zinc/93/46/52/492934652.db2.gz GKNDYDLACOXGCP-UHFFFAOYSA-N 1 3 368.522 0.236 20 0 FCADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638553361 492960380 /nfs/dbraw/zinc/96/03/80/492960380.db2.gz BAURTWPQFMUFCW-OAHLLOKOSA-N 1 3 354.520 0.697 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cn1 ZINC000652621863 492971732 /nfs/dbraw/zinc/97/17/32/492971732.db2.gz WXDJMTYEAZMEAP-OAHLLOKOSA-N 1 3 350.467 0.407 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000652623658 492972247 /nfs/dbraw/zinc/97/22/47/492972247.db2.gz OMRDBCRBDNCJKY-OAHLLOKOSA-N 1 3 362.478 0.231 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652668361 492982998 /nfs/dbraw/zinc/98/29/98/492982998.db2.gz YJBYJXWAQJQDSM-QAETUUGQSA-N 1 3 368.522 0.578 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000632369265 492984799 /nfs/dbraw/zinc/98/47/99/492984799.db2.gz NQRFYEGJESTHHO-DZGCQCFKSA-N 1 3 357.524 0.775 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)nn1 ZINC000638903705 492985530 /nfs/dbraw/zinc/98/55/30/492985530.db2.gz TZIZDJBEHBCNPI-QGZVFWFLSA-N 1 3 354.458 0.832 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949243 492988848 /nfs/dbraw/zinc/98/88/48/492988848.db2.gz ZJUZUDVAKHYKFZ-VQHPVUNQSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000652682638 492989203 /nfs/dbraw/zinc/98/92/03/492989203.db2.gz PCFOUONFMCMAMG-UHFFFAOYSA-N 1 3 372.513 0.708 20 0 FCADHO [NH3+]CCCn1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)nn1 ZINC000645936023 492989558 /nfs/dbraw/zinc/98/95/58/492989558.db2.gz UPEASXCNZLIHNT-UHFFFAOYSA-N 1 3 372.473 0.514 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652692882 492992056 /nfs/dbraw/zinc/99/20/56/492992056.db2.gz GGGXJMMHJKCUGF-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652692176 492992110 /nfs/dbraw/zinc/99/21/10/492992110.db2.gz LDNAZTLMDFMTDH-JYJNAYRXSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000639261042 493003314 /nfs/dbraw/zinc/00/33/14/493003314.db2.gz KFOHHNUXNZYITL-IAGOWNOFSA-N 1 3 352.523 0.820 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](N)CC2CCCCC2)cn1 ZINC000646075333 493010939 /nfs/dbraw/zinc/01/09/39/493010939.db2.gz CQWDFBOABCSUDQ-MRXNPFEDSA-N 1 3 364.494 0.797 20 0 FCADHO COC[C@@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]C1 ZINC000646432995 493048224 /nfs/dbraw/zinc/04/82/24/493048224.db2.gz AHKNCUMRNSBOGM-LJQANCHMSA-N 1 3 362.474 0.220 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000658778979 493052489 /nfs/dbraw/zinc/05/24/89/493052489.db2.gz QONPMYUGKPDRFL-CQSZACIVSA-N 1 3 362.478 0.689 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H](N)CC[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000653124858 493076073 /nfs/dbraw/zinc/07/60/73/493076073.db2.gz JHFZNYTYBRUBPD-OALUTQOASA-N 1 3 361.534 0.760 20 0 FCADHO CCO[C@@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000632961030 493098053 /nfs/dbraw/zinc/09/80/53/493098053.db2.gz MZRGDPCZSPAFLR-CZUORRHYSA-N 1 3 350.467 0.977 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CC1 ZINC000633021849 493104562 /nfs/dbraw/zinc/10/45/62/493104562.db2.gz BJVQRDHCBQVPDD-RDJZCZTQSA-N 1 3 357.458 0.340 20 0 FCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000627246496 493116270 /nfs/dbraw/zinc/11/62/70/493116270.db2.gz MVYRKMYWDPWYJU-SOUVJXGZSA-N 1 3 361.494 0.459 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086069 493118807 /nfs/dbraw/zinc/11/88/07/493118807.db2.gz YPWLHMYDFURKCF-WMZOPIPTSA-N 1 3 356.470 0.682 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000653430902 493134431 /nfs/dbraw/zinc/13/44/31/493134431.db2.gz RCTMJUXMVZKKIG-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627295313 493138164 /nfs/dbraw/zinc/13/81/64/493138164.db2.gz ZWFPPLHVOGWLNB-XQQFMLRXSA-N 1 3 366.428 0.819 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000627325678 493154684 /nfs/dbraw/zinc/15/46/84/493154684.db2.gz QWTWBTGLEJYTDU-CQSZACIVSA-N 1 3 352.504 0.884 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000627329359 493156482 /nfs/dbraw/zinc/15/64/82/493156482.db2.gz IFTIABBQTICHRY-KRWDZBQOSA-N 1 3 362.474 0.201 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000659113784 493160082 /nfs/dbraw/zinc/16/00/82/493160082.db2.gz YETYKDQQPDWWPU-NSHDSACASA-N 1 3 356.854 0.943 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264821 493186296 /nfs/dbraw/zinc/18/62/96/493186296.db2.gz UCUDGAWHBJNROT-HUUCEWRRSA-N 1 3 355.508 0.434 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659490627 493195011 /nfs/dbraw/zinc/19/50/11/493195011.db2.gz ZIQIHUPKEFACHZ-OAHLLOKOSA-N 1 3 370.457 0.962 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659490627 493195018 /nfs/dbraw/zinc/19/50/18/493195018.db2.gz ZIQIHUPKEFACHZ-OAHLLOKOSA-N 1 3 370.457 0.962 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)nc1 ZINC000659615856 493221086 /nfs/dbraw/zinc/22/10/86/493221086.db2.gz AVGSDINNMWUCOL-UHFFFAOYSA-N 1 3 358.490 0.727 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630220 493224061 /nfs/dbraw/zinc/22/40/61/493224061.db2.gz GXOQQHRKBNGBQD-WFASDCNBSA-N 1 3 360.462 0.799 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630220 493224065 /nfs/dbraw/zinc/22/40/65/493224065.db2.gz GXOQQHRKBNGBQD-WFASDCNBSA-N 1 3 360.462 0.799 20 0 FCADHO C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000641443783 493236867 /nfs/dbraw/zinc/23/68/67/493236867.db2.gz WDPDETFAKIZGDO-SJORKVTESA-N 1 3 360.506 0.972 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659689382 493254353 /nfs/dbraw/zinc/25/43/53/493254353.db2.gz CBWXHMMRRURPHN-AWEZNQCLSA-N 1 3 361.490 0.919 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659689917 493255231 /nfs/dbraw/zinc/25/52/31/493255231.db2.gz KTSOKUQPDOFZQU-UHFFFAOYSA-N 1 3 362.474 0.631 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCC1 ZINC000659695321 493258032 /nfs/dbraw/zinc/25/80/32/493258032.db2.gz YMXYNAFXLKNDSW-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000672854796 493258845 /nfs/dbraw/zinc/25/88/45/493258845.db2.gz KWXQBURMNOILTM-INIZCTEOSA-N 1 3 367.538 0.118 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1=CCN(C)CC1 ZINC000659700914 493261605 /nfs/dbraw/zinc/26/16/05/493261605.db2.gz ASKKLNDZJVNRRB-CRAIPNDOSA-N 1 3 362.518 0.991 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000659715968 493269582 /nfs/dbraw/zinc/26/95/82/493269582.db2.gz UNDXUWKFKPOXPO-QGZVFWFLSA-N 1 3 359.474 0.263 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659717126 493269861 /nfs/dbraw/zinc/26/98/61/493269861.db2.gz ZYMVIUWFSQMASU-QZTJIDSGSA-N 1 3 373.501 0.796 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719539 493270849 /nfs/dbraw/zinc/27/08/49/493270849.db2.gz YSVHTLXLYQMFGP-SQWLQELKSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719539 493270854 /nfs/dbraw/zinc/27/08/54/493270854.db2.gz YSVHTLXLYQMFGP-SQWLQELKSA-N 1 3 366.506 0.739 20 0 FCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659722880 493272800 /nfs/dbraw/zinc/27/28/00/493272800.db2.gz NCHUBZCFAOVRAP-UHFFFAOYSA-N 1 3 371.485 0.446 20 0 FCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727364 493275588 /nfs/dbraw/zinc/27/55/88/493275588.db2.gz DJMZMZFLFZGHNZ-KRWDZBQOSA-N 1 3 359.474 0.360 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667537191 493289302 /nfs/dbraw/zinc/28/93/02/493289302.db2.gz SRLAZQKKDIXZBE-ZBFHGGJFSA-N 1 3 360.458 0.906 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812649 493303260 /nfs/dbraw/zinc/30/32/60/493303260.db2.gz SIYYEHATPXBHSD-LSDHHAIUSA-N 1 3 362.540 0.189 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812649 493303263 /nfs/dbraw/zinc/30/32/63/493303263.db2.gz SIYYEHATPXBHSD-LSDHHAIUSA-N 1 3 362.540 0.189 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000668302257 493329347 /nfs/dbraw/zinc/32/93/47/493329347.db2.gz CITCCBDTUUMTHO-KBPBESRZSA-N 1 3 369.428 0.922 20 0 FCADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)n2)CC1 ZINC000683867672 493375363 /nfs/dbraw/zinc/37/53/63/493375363.db2.gz NZMNAQGCJANEHI-OAHLLOKOSA-N 1 3 374.489 0.689 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000668584449 493379530 /nfs/dbraw/zinc/37/95/30/493379530.db2.gz CULXDOTYPZZEPT-BBWFWOEESA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000668584449 493379532 /nfs/dbraw/zinc/37/95/32/493379532.db2.gz CULXDOTYPZZEPT-BBWFWOEESA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000668682269 493396221 /nfs/dbraw/zinc/39/62/21/493396221.db2.gz CNVWHIRVXCPWOX-QGZVFWFLSA-N 1 3 366.506 0.204 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668731351 493402653 /nfs/dbraw/zinc/40/26/53/493402653.db2.gz AJTHJESRNUCLMG-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668731351 493402655 /nfs/dbraw/zinc/40/26/55/493402655.db2.gz AJTHJESRNUCLMG-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO COC1CCN(CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000674329171 493409051 /nfs/dbraw/zinc/40/90/51/493409051.db2.gz RCPMNJDUSJSALZ-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000669035289 493455585 /nfs/dbraw/zinc/45/55/85/493455585.db2.gz BYFRHXLSPGFRPK-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669135308 493467268 /nfs/dbraw/zinc/46/72/68/493467268.db2.gz DSEPTHXFYCVDGV-YOEHRIQHSA-N 1 3 350.463 0.885 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000669273726 493487630 /nfs/dbraw/zinc/48/76/30/493487630.db2.gz GGFBLZWTRBGNCQ-BBWFWOEESA-N 1 3 366.506 0.081 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290660 493503741 /nfs/dbraw/zinc/50/37/41/493503741.db2.gz HHTWHHZXLIKXJC-PVAVHDDUSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290659 493503874 /nfs/dbraw/zinc/50/38/74/493503874.db2.gz HHTWHHZXLIKXJC-OIISXLGYSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299001 493504632 /nfs/dbraw/zinc/50/46/32/493504632.db2.gz ZDKNVTWVZUVYDO-WMLDXEAASA-N 1 3 350.507 0.810 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295935 493504992 /nfs/dbraw/zinc/50/49/92/493504992.db2.gz JDTWGECYOIRWKI-MAUKXSAKSA-N 1 3 350.507 0.777 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662437930 493515418 /nfs/dbraw/zinc/51/54/18/493515418.db2.gz KEBZUJLNKPXVCB-GFCCVEGCSA-N 1 3 350.488 0.711 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662437930 493515421 /nfs/dbraw/zinc/51/54/21/493515421.db2.gz KEBZUJLNKPXVCB-GFCCVEGCSA-N 1 3 350.488 0.711 20 0 FCADHO Cc1c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662474238 493519267 /nfs/dbraw/zinc/51/92/67/493519267.db2.gz UUCITMVHLMEHIM-KRWDZBQOSA-N 1 3 368.485 0.950 20 0 FCADHO [NH3+]CCCn1ccc2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccc21 ZINC000662751253 493537679 /nfs/dbraw/zinc/53/76/79/493537679.db2.gz XDSMYHTVDFSJEL-UHFFFAOYSA-N 1 3 354.414 0.874 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662857371 493547365 /nfs/dbraw/zinc/54/73/65/493547365.db2.gz AMNHZTOBGLQKMG-SJORKVTESA-N 1 3 369.469 0.983 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394354 493548847 /nfs/dbraw/zinc/54/88/47/493548847.db2.gz ZTBZDBPUOZPBSJ-TZIWHRDSSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394354 493548848 /nfs/dbraw/zinc/54/88/48/493548848.db2.gz ZTBZDBPUOZPBSJ-TZIWHRDSSA-N 1 3 373.497 0.993 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662972185 493562571 /nfs/dbraw/zinc/56/25/71/493562571.db2.gz ANUSNDSQVUHSFY-RBUKOAKNSA-N 1 3 372.513 0.972 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019801 493567189 /nfs/dbraw/zinc/56/71/89/493567189.db2.gz VCXWQTHIGSMWPP-HRCADAONSA-N 1 3 360.506 0.900 20 0 FCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663020035 493567205 /nfs/dbraw/zinc/56/72/05/493567205.db2.gz VNAPXKLOMRJVSU-XHSDSOJGSA-N 1 3 360.506 0.913 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670444834 493568806 /nfs/dbraw/zinc/56/88/06/493568806.db2.gz RXGVVNACVABUQY-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670444834 493568809 /nfs/dbraw/zinc/56/88/09/493568809.db2.gz RXGVVNACVABUQY-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607665 493580566 /nfs/dbraw/zinc/58/05/66/493580566.db2.gz BVYZFHSCMATYAZ-MOPGFXCFSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607665 493580568 /nfs/dbraw/zinc/58/05/68/493580568.db2.gz BVYZFHSCMATYAZ-MOPGFXCFSA-N 1 3 372.513 0.876 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663612955 493603868 /nfs/dbraw/zinc/60/38/68/493603868.db2.gz WGSQQEQXKYRRPN-LJQANCHMSA-N 1 3 359.474 0.635 20 0 FCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790389 493617788 /nfs/dbraw/zinc/61/77/88/493617788.db2.gz ALORDRQCKKPINV-HZPDHXFCSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790389 493617790 /nfs/dbraw/zinc/61/77/90/493617790.db2.gz ALORDRQCKKPINV-HZPDHXFCSA-N 1 3 355.527 0.768 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670983525 493618932 /nfs/dbraw/zinc/61/89/32/493618932.db2.gz QKJWRHCCBXXXDE-UHFFFAOYSA-N 1 3 359.474 0.578 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@@H]1O ZINC000663865091 493621816 /nfs/dbraw/zinc/62/18/16/493621816.db2.gz CLVFZCLGGJPYQC-HOTGVXAUSA-N 1 3 350.463 0.443 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981211 493628635 /nfs/dbraw/zinc/62/86/35/493628635.db2.gz ZLJJLYCSBWHWPB-QYZOEREBSA-N 1 3 360.502 0.867 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981211 493628637 /nfs/dbraw/zinc/62/86/37/493628637.db2.gz ZLJJLYCSBWHWPB-QYZOEREBSA-N 1 3 360.502 0.867 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105110 493634674 /nfs/dbraw/zinc/63/46/74/493634674.db2.gz HVGXZIQBWCDPPK-JYJNAYRXSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105110 493634675 /nfs/dbraw/zinc/63/46/75/493634675.db2.gz HVGXZIQBWCDPPK-JYJNAYRXSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCC2(CCCN2C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000678199398 493637713 /nfs/dbraw/zinc/63/77/13/493637713.db2.gz OKQAIGXEKPMQPC-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO CN1CCC2(CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000678199398 493637715 /nfs/dbraw/zinc/63/77/15/493637715.db2.gz OKQAIGXEKPMQPC-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000671376398 493662287 /nfs/dbraw/zinc/66/22/87/493662287.db2.gz ULILFVWGWRBUIO-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680011859 493705273 /nfs/dbraw/zinc/70/52/73/493705273.db2.gz GVCLDGHRCZKHFQ-AEFFLSMTSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680011859 493705274 /nfs/dbraw/zinc/70/52/74/493705274.db2.gz GVCLDGHRCZKHFQ-AEFFLSMTSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680011859 493705276 /nfs/dbraw/zinc/70/52/76/493705276.db2.gz GVCLDGHRCZKHFQ-AEFFLSMTSA-N 1 3 352.523 0.582 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000671849796 493708629 /nfs/dbraw/zinc/70/86/29/493708629.db2.gz CYXFVVWMPRAZNU-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000671880933 493710721 /nfs/dbraw/zinc/71/07/21/493710721.db2.gz YFPKZIKIWZLHMX-IAGOWNOFSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000671880933 493710724 /nfs/dbraw/zinc/71/07/24/493710724.db2.gz YFPKZIKIWZLHMX-IAGOWNOFSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000671881814 493711163 /nfs/dbraw/zinc/71/11/63/493711163.db2.gz UCNJHJGCVYXZQK-QGZVFWFLSA-N 1 3 373.501 0.967 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000671881814 493711165 /nfs/dbraw/zinc/71/11/65/493711165.db2.gz UCNJHJGCVYXZQK-QGZVFWFLSA-N 1 3 373.501 0.967 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@@H]1O ZINC000665461359 493716129 /nfs/dbraw/zinc/71/61/29/493716129.db2.gz LUNRGHFSXFRCFS-IRXDYDNUSA-N 1 3 354.495 0.194 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010235 493724162 /nfs/dbraw/zinc/72/41/62/493724162.db2.gz MPARPUBOLJUKLX-CVEARBPZSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011012 493724619 /nfs/dbraw/zinc/72/46/19/493724619.db2.gz BXLOKNNKFPMFPJ-DOTOQJQBSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000672099032 493735275 /nfs/dbraw/zinc/73/52/75/493735275.db2.gz PEXRMCDOLSFUJH-DLBZAZTESA-N 1 3 367.538 0.071 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000672099032 493735278 /nfs/dbraw/zinc/73/52/78/493735278.db2.gz PEXRMCDOLSFUJH-DLBZAZTESA-N 1 3 367.538 0.071 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672204275 493742447 /nfs/dbraw/zinc/74/24/47/493742447.db2.gz SBOFJEQMTBSHNP-QGZVFWFLSA-N 1 3 359.474 0.721 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305727 493751845 /nfs/dbraw/zinc/75/18/45/493751845.db2.gz BEIPGDAEGIJPEU-RDJZCZTQSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310253 493754385 /nfs/dbraw/zinc/75/43/85/493754385.db2.gz LTKOOWFGVOWBKI-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413886441 534226022 /nfs/dbraw/zinc/22/60/22/534226022.db2.gz URTDQBWMQUCKHJ-CALCHBBNSA-N 1 3 352.523 0.772 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419958139 536448903 /nfs/dbraw/zinc/44/89/03/536448903.db2.gz USHWUUKQXIPCHH-CYBMUJFWSA-N 1 3 370.444 0.827 20 0 FCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CCN1C ZINC000410730493 527818732 /nfs/dbraw/zinc/81/87/32/527818732.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 1 3 369.554 0.127 20 0 FCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCN1C ZINC000410730493 527818736 /nfs/dbraw/zinc/81/87/36/527818736.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 1 3 369.554 0.127 20 0 FCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCN1C ZINC000410730493 527818743 /nfs/dbraw/zinc/81/87/43/527818743.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 1 3 369.554 0.127 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410429775 528143237 /nfs/dbraw/zinc/14/32/37/528143237.db2.gz DGLSLIZEYHSPJM-QGZVFWFLSA-N 1 3 368.522 0.500 20 0 FCADHO CC[N@H+](CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)C(C)C ZINC000413244363 528491786 /nfs/dbraw/zinc/49/17/86/528491786.db2.gz WQDGPQQBNASPGX-UHFFFAOYSA-N 1 3 369.554 0.813 20 0 FCADHO CC[N@@H+](CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)C(C)C ZINC000413244363 528491791 /nfs/dbraw/zinc/49/17/91/528491791.db2.gz WQDGPQQBNASPGX-UHFFFAOYSA-N 1 3 369.554 0.813 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031263 529060065 /nfs/dbraw/zinc/06/00/65/529060065.db2.gz SLFXIRNNIXEDIX-VQIMIIECSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031263 529060067 /nfs/dbraw/zinc/06/00/67/529060067.db2.gz SLFXIRNNIXEDIX-VQIMIIECSA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)NCCN2CCCOCC2)CC1 ZINC000186920443 529142773 /nfs/dbraw/zinc/14/27/73/529142773.db2.gz OOVFLLHOUAFANZ-UHFFFAOYSA-N 1 3 355.527 0.426 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423504208 535062933 /nfs/dbraw/zinc/06/29/33/535062933.db2.gz KSTZSRAWCVCIMV-IRXDYDNUSA-N 1 3 368.522 0.530 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000419705453 535071704 /nfs/dbraw/zinc/07/17/04/535071704.db2.gz ZPLCBLCKADAGOE-VVLHAWIVSA-N 1 3 350.507 0.809 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419698215 535073836 /nfs/dbraw/zinc/07/38/36/535073836.db2.gz PFDUKKFCVNXJBV-QFBILLFUSA-N 1 3 350.507 0.825 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419761129 535297673 /nfs/dbraw/zinc/29/76/73/535297673.db2.gz JTOBNLWTSNVMMH-SJORKVTESA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419591563 535477499 /nfs/dbraw/zinc/47/74/99/535477499.db2.gz RILYHERJUGVPTR-OAHLLOKOSA-N 1 3 354.495 0.333 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419745892 535507912 /nfs/dbraw/zinc/50/79/12/535507912.db2.gz AVIOVYRWNCAUQQ-OAHLLOKOSA-N 1 3 368.522 0.640 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423461253 535523294 /nfs/dbraw/zinc/52/32/94/535523294.db2.gz BWACURPEWRRIDB-CYBMUJFWSA-N 1 3 366.428 0.930 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423626529 535542034 /nfs/dbraw/zinc/54/20/34/535542034.db2.gz SMOHRMRQQYUKRK-MRXNPFEDSA-N 1 3 368.522 0.676 20 0 FCADHO CCOCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419153016 535610332 /nfs/dbraw/zinc/61/03/32/535610332.db2.gz VIKWGHKIZJLPCN-UHFFFAOYSA-N 1 3 362.474 0.249 20 0 FCADHO CCN(CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435630083 535703048 /nfs/dbraw/zinc/70/30/48/535703048.db2.gz ZHTLNJGKTFLORD-KRWDZBQOSA-N 1 3 360.506 0.979 20 0 FCADHO CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCNCC1 ZINC000435630083 535703058 /nfs/dbraw/zinc/70/30/58/535703058.db2.gz ZHTLNJGKTFLORD-KRWDZBQOSA-N 1 3 360.506 0.979 20 0 FCADHO CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCNCC1 ZINC000435630083 535703063 /nfs/dbraw/zinc/70/30/63/535703063.db2.gz ZHTLNJGKTFLORD-KRWDZBQOSA-N 1 3 360.506 0.979 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415301694 535749671 /nfs/dbraw/zinc/74/96/71/535749671.db2.gz BRQXXMGUQUTTOC-MRXNPFEDSA-N 1 3 359.474 0.635 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423366895 535867512 /nfs/dbraw/zinc/86/75/12/535867512.db2.gz LRHVCQSOAMCMJC-AWEZNQCLSA-N 1 3 368.503 0.215 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423367463 535868230 /nfs/dbraw/zinc/86/82/30/535868230.db2.gz MLWZUGUQPWLCAO-UHFFFAOYSA-N 1 3 352.504 0.836 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000419639537 536028886 /nfs/dbraw/zinc/02/88/86/536028886.db2.gz JQTIRJJULXGQOT-OKZBNKHCSA-N 1 3 358.486 0.950 20 0 FCADHO COC[C@]1(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360269 536654161 /nfs/dbraw/zinc/65/41/61/536654161.db2.gz QIWMYIKSWQTVEY-BXWFABGCSA-N 1 3 353.507 0.960 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419752181 536746430 /nfs/dbraw/zinc/74/64/30/536746430.db2.gz LTBMHAVUGDEXJL-GDBMZVCRSA-N 1 3 368.522 0.578 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000130603498 546539711 /nfs/dbraw/zinc/53/97/11/546539711.db2.gz YNCSYVOFQCRPRC-UHFFFAOYSA-N 1 3 352.483 0.528 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000948412880 674377191 /nfs/dbraw/zinc/37/71/91/674377191.db2.gz CMZKMRCUTDERLO-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000948412880 674377194 /nfs/dbraw/zinc/37/71/94/674377194.db2.gz CMZKMRCUTDERLO-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC[C@H](C)C1 ZINC000550714790 547098439 /nfs/dbraw/zinc/09/84/39/547098439.db2.gz GTNGBUGQEKOKKA-GJZGRUSLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](C)C1 ZINC000550714791 547098891 /nfs/dbraw/zinc/09/88/91/547098891.db2.gz GTNGBUGQEKOKKA-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000550835465 547110291 /nfs/dbraw/zinc/11/02/91/547110291.db2.gz MTFHUAXVCUDEKF-RDTXWAMCSA-N 1 3 370.563 0.729 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000550946724 547116995 /nfs/dbraw/zinc/11/69/95/547116995.db2.gz XSYZIKOSAVZGQG-INIZCTEOSA-N 1 3 354.495 0.015 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210592 547134424 /nfs/dbraw/zinc/13/44/24/547134424.db2.gz GYDQNDFXIFLMAA-DYVFJYSZSA-N 1 3 358.552 0.632 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551499700 547149261 /nfs/dbraw/zinc/14/92/61/547149261.db2.gz VWUIBRUBJBCXFA-YYIAUSFCSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551499700 547149265 /nfs/dbraw/zinc/14/92/65/547149265.db2.gz VWUIBRUBJBCXFA-YYIAUSFCSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000553406775 547276756 /nfs/dbraw/zinc/27/67/56/547276756.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 1 3 351.499 0.251 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000553406775 547276761 /nfs/dbraw/zinc/27/67/61/547276761.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 1 3 351.499 0.251 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356759 547337615 /nfs/dbraw/zinc/33/76/15/547337615.db2.gz WFSRYXHSJOVMKG-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356759 547337620 /nfs/dbraw/zinc/33/76/20/547337620.db2.gz WFSRYXHSJOVMKG-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC000950255679 674423462 /nfs/dbraw/zinc/42/34/62/674423462.db2.gz OXXDDRDWYQGRIC-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC000950255679 674423463 /nfs/dbraw/zinc/42/34/63/674423463.db2.gz OXXDDRDWYQGRIC-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000950386325 674426681 /nfs/dbraw/zinc/42/66/81/674426681.db2.gz OKHVGUUDXHQPLU-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000950386325 674426684 /nfs/dbraw/zinc/42/66/84/674426684.db2.gz OKHVGUUDXHQPLU-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000989231253 665721119 /nfs/dbraw/zinc/72/11/19/665721119.db2.gz UPQUGONQZWNYFP-PMPSAXMXSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989231253 665721122 /nfs/dbraw/zinc/72/11/22/665721122.db2.gz UPQUGONQZWNYFP-PMPSAXMXSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCCN2CCCC2=O)C1 ZINC000969701252 663189852 /nfs/dbraw/zinc/18/98/52/663189852.db2.gz ULEMFLQNOWQRBT-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCCN2CCCC2=O)C1 ZINC000969701252 663189853 /nfs/dbraw/zinc/18/98/53/663189853.db2.gz ULEMFLQNOWQRBT-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN3CCNC3=O)CC2)CC1 ZINC000899470676 665940190 /nfs/dbraw/zinc/94/01/90/665940190.db2.gz IBJWKIROSRASDB-UHFFFAOYSA-N 1 3 351.495 0.324 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC001022035326 663392673 /nfs/dbraw/zinc/39/26/73/663392673.db2.gz ITIRZPPXGIAWJK-YESZJQIVSA-N 1 3 350.507 0.728 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891484328 663409193 /nfs/dbraw/zinc/40/91/93/663409193.db2.gz UPXBQRWFUSNTRC-CVEARBPZSA-N 1 3 353.511 0.842 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC000972967106 664025804 /nfs/dbraw/zinc/02/58/04/664025804.db2.gz QHUFKIOWOSDLLQ-VQHPVUNQSA-N 1 3 352.523 0.972 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCCCN1CCO ZINC000892761392 664137888 /nfs/dbraw/zinc/13/78/88/664137888.db2.gz ZWDVSLBUQOQPBP-HZPDHXFCSA-N 1 3 354.495 0.291 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCSC1 ZINC000893418510 664356785 /nfs/dbraw/zinc/35/67/85/664356785.db2.gz YHVYPXXVJRLNMH-ZOBUZTSGSA-N 1 3 356.536 0.664 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001027416342 664396742 /nfs/dbraw/zinc/39/67/42/664396742.db2.gz FLDCSNGGBQOTCP-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001027416342 664396745 /nfs/dbraw/zinc/39/67/45/664396745.db2.gz FLDCSNGGBQOTCP-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000979871040 664464952 /nfs/dbraw/zinc/46/49/52/664464952.db2.gz FUNOBQATRRXVDC-BQJWPVKWSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000979871040 664464953 /nfs/dbraw/zinc/46/49/53/664464953.db2.gz FUNOBQATRRXVDC-BQJWPVKWSA-N 1 3 350.507 0.822 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897433240 665258675 /nfs/dbraw/zinc/25/86/75/665258675.db2.gz SPCFFPCJIRZPOU-MRXNPFEDSA-N 1 3 353.511 0.524 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897433240 665258678 /nfs/dbraw/zinc/25/86/78/665258678.db2.gz SPCFFPCJIRZPOU-MRXNPFEDSA-N 1 3 353.511 0.524 20 0 FCADHO CNC[C@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353752 666018309 /nfs/dbraw/zinc/01/83/09/666018309.db2.gz JKZHKZNTLFLUMJ-FUHWJXTLSA-N 1 3 351.447 0.320 20 0 FCADHO CC(C)N1CC[NH+](CCC(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000907839920 666166622 /nfs/dbraw/zinc/16/66/22/666166622.db2.gz RDEVGBGQBUXRPD-HDICACEKSA-N 1 3 354.539 0.970 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911253839 666329852 /nfs/dbraw/zinc/32/98/52/666329852.db2.gz BIRQMFUSHSKAQE-AWEZNQCLSA-N 1 3 354.495 0.189 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)C[C@H]3CO)CC2)CC1 ZINC000912738294 666470028 /nfs/dbraw/zinc/47/00/28/666470028.db2.gz AYZVEWNYMWQXLU-SFHVURJKSA-N 1 3 352.523 0.318 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884142 666530797 /nfs/dbraw/zinc/53/07/97/666530797.db2.gz BBOOUISXEOXQEQ-GDBMZVCRSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942816199 666751224 /nfs/dbraw/zinc/75/12/24/666751224.db2.gz PWKRGJROMBSCAN-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942816199 666751228 /nfs/dbraw/zinc/75/12/28/666751228.db2.gz PWKRGJROMBSCAN-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186466 667775477 /nfs/dbraw/zinc/77/54/77/667775477.db2.gz CYUCGXZHYGFTCQ-OAGGEKHMSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186466 667775481 /nfs/dbraw/zinc/77/54/81/667775481.db2.gz CYUCGXZHYGFTCQ-OAGGEKHMSA-N 1 3 350.507 0.905 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000739020058 667935382 /nfs/dbraw/zinc/93/53/82/667935382.db2.gz CFADZUQVDTXQIJ-SJORKVTESA-N 1 3 354.495 0.650 20 0 FCADHO CSC1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH+](C)CC1 ZINC000811876806 669776859 /nfs/dbraw/zinc/77/68/59/669776859.db2.gz ZZVZHYXGRGVGRM-HUUCEWRRSA-N 1 3 356.536 0.976 20 0 FCADHO CC(C)COC(=O)N1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000841006678 670531363 /nfs/dbraw/zinc/53/13/63/670531363.db2.gz HKELSDIEKHDMSO-MRXNPFEDSA-N 1 3 354.495 0.984 20 0 FCADHO CC(C)COC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000841006678 670531367 /nfs/dbraw/zinc/53/13/67/670531367.db2.gz HKELSDIEKHDMSO-MRXNPFEDSA-N 1 3 354.495 0.984 20 0 FCADHO [NH3+]C[C@@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843346424 670802820 /nfs/dbraw/zinc/80/28/20/670802820.db2.gz GULDFBQOQWALKW-ZDUSSCGKSA-N 1 3 351.451 0.333 20 0 FCADHO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843355054 670805009 /nfs/dbraw/zinc/80/50/09/670805009.db2.gz KVAPMFYUQATZJW-UHFFFAOYSA-N 1 3 354.476 0.783 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000967850306 675164217 /nfs/dbraw/zinc/16/42/17/675164217.db2.gz SKQPAPLUGHJVHX-BBWFWOEESA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000967850306 675164218 /nfs/dbraw/zinc/16/42/18/675164218.db2.gz SKQPAPLUGHJVHX-BBWFWOEESA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000968009725 675177579 /nfs/dbraw/zinc/17/75/79/675177579.db2.gz AFCSZRSWCXJTAI-RHSMWYFYSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC000968009725 675177581 /nfs/dbraw/zinc/17/75/81/675177581.db2.gz AFCSZRSWCXJTAI-RHSMWYFYSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000853347848 671546667 /nfs/dbraw/zinc/54/66/67/671546667.db2.gz RSUVFKQMRQTFDK-HZPDHXFCSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000853347848 671546670 /nfs/dbraw/zinc/54/66/70/671546670.db2.gz RSUVFKQMRQTFDK-HZPDHXFCSA-N 1 3 355.527 0.768 20 0 FCADHO Cc1ccsc1CNC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521935 675938066 /nfs/dbraw/zinc/93/80/66/675938066.db2.gz IMBLQCNHRXTOOQ-KDOFPFPSSA-N 1 3 364.515 0.909 20 0 FCADHO O=C1[C@H](N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574472 672139884 /nfs/dbraw/zinc/13/98/84/672139884.db2.gz JICZJEIGWFGYQY-ZWKOTPCHSA-N 1 3 351.491 0.857 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001001419380 676071536 /nfs/dbraw/zinc/07/15/36/676071536.db2.gz UGZUUCOGQXDRSO-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001001419380 676071539 /nfs/dbraw/zinc/07/15/39/676071539.db2.gz UGZUUCOGQXDRSO-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC001051623853 676106622 /nfs/dbraw/zinc/10/66/22/676106622.db2.gz JUYHBXCVAZQVMO-SOUVJXGZSA-N 1 3 350.467 0.160 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC001051623853 676106625 /nfs/dbraw/zinc/10/66/25/676106625.db2.gz JUYHBXCVAZQVMO-SOUVJXGZSA-N 1 3 350.467 0.160 20 0 FCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000884631805 673467989 /nfs/dbraw/zinc/46/79/89/673467989.db2.gz YKZCFQTUKYHQTR-BEFAXECRSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705837 673475003 /nfs/dbraw/zinc/47/50/03/673475003.db2.gz JHLKNKGCLAEACJ-CZJPOVKDSA-N 1 3 354.495 0.595 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000884775877 673481277 /nfs/dbraw/zinc/48/12/77/673481277.db2.gz KUXJDGUDVYRSEV-MELADBBJSA-N 1 3 358.433 0.481 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884876933 673487943 /nfs/dbraw/zinc/48/79/43/673487943.db2.gz PYUBWXRDGASOLJ-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884911490 673490892 /nfs/dbraw/zinc/49/08/92/673490892.db2.gz NXEZTHBHXHZRMO-JYJNAYRXSA-N 1 3 354.495 0.189 20 0 FCADHO CC[C@H](C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000135004130 673733928 /nfs/dbraw/zinc/73/39/28/673733928.db2.gz QEDRBXAQGASSDE-BBRMVZONSA-N 1 3 353.511 0.744 20 0 FCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444019 673792419 /nfs/dbraw/zinc/79/24/19/673792419.db2.gz AYMFCLGLOLATQL-CVEARBPZSA-N 1 3 350.463 0.646 20 0 FCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000925444019 673792421 /nfs/dbraw/zinc/79/24/21/673792421.db2.gz AYMFCLGLOLATQL-CVEARBPZSA-N 1 3 350.463 0.646 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001075906767 1192182195 /nfs/dbraw/zinc/18/21/95/1192182195.db2.gz YTVXUMMCQQDNAQ-YESZJQIVSA-N 1 3 363.506 0.419 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001075906767 1192182200 /nfs/dbraw/zinc/18/22/00/1192182200.db2.gz YTVXUMMCQQDNAQ-YESZJQIVSA-N 1 3 363.506 0.419 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001719580924 1168436283 /nfs/dbraw/zinc/43/62/83/1168436283.db2.gz NLKIDGOWPBHBHA-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001719580924 1168436285 /nfs/dbraw/zinc/43/62/85/1168436285.db2.gz NLKIDGOWPBHBHA-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112481472 1168510243 /nfs/dbraw/zinc/51/02/43/1168510243.db2.gz NMRWKPVECNNHIH-OOOMTDJDSA-N 1 3 363.502 0.450 20 0 FCADHO CC(C)N(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482731224 1192374930 /nfs/dbraw/zinc/37/49/30/1192374930.db2.gz QBQYJBPSUIGRTC-BZUAXINKSA-N 1 3 356.511 0.039 20 0 FCADHO CC(C)N(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001482731224 1192374933 /nfs/dbraw/zinc/37/49/33/1192374933.db2.gz QBQYJBPSUIGRTC-BZUAXINKSA-N 1 3 356.511 0.039 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356187 1170005381 /nfs/dbraw/zinc/00/53/81/1170005381.db2.gz RLYKNFWJUDRQFA-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CCC1 ZINC001021941090 1170328880 /nfs/dbraw/zinc/32/88/80/1170328880.db2.gz FLPBAYRODCQKDH-FUHWJXTLSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022038355 1170455876 /nfs/dbraw/zinc/45/58/76/1170455876.db2.gz OFNSGHKHOCIIEI-BPQIPLTHSA-N 1 3 362.518 0.872 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104363735 1170490111 /nfs/dbraw/zinc/49/01/11/1170490111.db2.gz FDWZMWURUWVHAA-MGPQQGTHSA-N 1 3 369.510 0.374 20 0 FCADHO COCCCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266868511 1170840491 /nfs/dbraw/zinc/84/04/91/1170840491.db2.gz WYFPUEJVNSDTHF-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO COCCCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266868511 1170840494 /nfs/dbraw/zinc/84/04/94/1170840494.db2.gz WYFPUEJVNSDTHF-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CN1CCN(CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000891880685 1171039653 /nfs/dbraw/zinc/03/96/53/1171039653.db2.gz MCQSIYVSESADFR-MRXNPFEDSA-N 1 3 367.538 0.470 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022720014 1171812318 /nfs/dbraw/zinc/81/23/18/1171812318.db2.gz DXDFGQSCAAIENZ-IXDOHACOSA-N 1 3 360.502 0.483 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21)C1CCC1 ZINC000972738710 1180683922 /nfs/dbraw/zinc/68/39/22/1180683922.db2.gz FMBNQJLPDYFQNM-SZVBFZGTSA-N 1 3 362.518 0.870 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776786 1182496901 /nfs/dbraw/zinc/49/69/01/1182496901.db2.gz IASSIAPRVSAYST-IAGOWNOFSA-N 1 3 368.522 0.897 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892788109 1182506602 /nfs/dbraw/zinc/50/66/02/1182506602.db2.gz BJLDWOVTFOJBGF-QZTJIDSGSA-N 1 3 373.501 0.730 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104809245 1182928643 /nfs/dbraw/zinc/92/86/43/1182928643.db2.gz CGIXMKICAIDHDN-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067119 1183099465 /nfs/dbraw/zinc/09/94/65/1183099465.db2.gz NLXZGXPKIZGWFB-SJLPKXTDSA-N 1 3 370.538 0.554 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587421 1183354897 /nfs/dbraw/zinc/35/48/97/1183354897.db2.gz ZNKUNOJEXAYBDU-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587421 1183354904 /nfs/dbraw/zinc/35/49/04/1183354904.db2.gz ZNKUNOJEXAYBDU-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974582765 1183362583 /nfs/dbraw/zinc/36/25/83/1183362583.db2.gz DRNNROIXFMIWQU-GVDBMIGSSA-N 1 3 360.502 0.483 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC000975424527 1183866054 /nfs/dbraw/zinc/86/60/54/1183866054.db2.gz LPMPDERGBLLCEE-NVXWUHKLSA-N 1 3 371.485 0.888 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC000981199867 1186348759 /nfs/dbraw/zinc/34/87/59/1186348759.db2.gz DUFXYNPCRBKEEM-FGTMMUONSA-N 1 3 363.506 0.509 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC000981199867 1186348765 /nfs/dbraw/zinc/34/87/65/1186348765.db2.gz DUFXYNPCRBKEEM-FGTMMUONSA-N 1 3 363.506 0.509 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000893867860 1187519167 /nfs/dbraw/zinc/51/91/67/1187519167.db2.gz RWAGCPBORUPAMN-MSOLQXFVSA-N 1 3 367.538 0.253 20 0 FCADHO CN[C@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000515300611 1188407456 /nfs/dbraw/zinc/40/74/56/1188407456.db2.gz MFUKVHZSIGYEKQ-SFHVURJKSA-N 1 3 370.501 0.790 20 0 FCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001075798748 1188423039 /nfs/dbraw/zinc/42/30/39/1188423039.db2.gz MUVVNLFUOOKOLL-RCCFBDPRSA-N 1 3 360.502 0.483 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993391 1190143430 /nfs/dbraw/zinc/14/34/30/1190143430.db2.gz MTLPGMBXSRRLFK-IKGGRYGDSA-N 1 3 363.506 0.132 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993391 1190143436 /nfs/dbraw/zinc/14/34/36/1190143436.db2.gz MTLPGMBXSRRLFK-IKGGRYGDSA-N 1 3 363.506 0.132 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105759 1190591424 /nfs/dbraw/zinc/59/14/24/1190591424.db2.gz BJFXIDSNOBIDKG-ZACQAIPSSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105759 1190591433 /nfs/dbraw/zinc/59/14/33/1190591433.db2.gz BJFXIDSNOBIDKG-ZACQAIPSSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106598 1190593238 /nfs/dbraw/zinc/59/32/38/1190593238.db2.gz IYTKYUZAZSJVCQ-BBWFWOEESA-N 1 3 363.506 0.134 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106598 1190593243 /nfs/dbraw/zinc/59/32/43/1190593243.db2.gz IYTKYUZAZSJVCQ-BBWFWOEESA-N 1 3 363.506 0.134 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121782 1190618360 /nfs/dbraw/zinc/61/83/60/1190618360.db2.gz XYKVKLFLCJYVLP-YCPHGPKFSA-N 1 3 355.446 0.512 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121782 1190618367 /nfs/dbraw/zinc/61/83/67/1190618367.db2.gz XYKVKLFLCJYVLP-YCPHGPKFSA-N 1 3 355.446 0.512 20 0 FCADHO COCCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532618292 1191200356 /nfs/dbraw/zinc/20/03/56/1191200356.db2.gz MRXRLQODQPPAQX-ROUUACIJSA-N 1 3 368.522 0.774 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@@H]2C[NH2+][C@H]2C)cc1)C(N)=O ZINC001218385419 1224157530 /nfs/dbraw/zinc/15/75/30/1224157530.db2.gz IDQZCYWKNXJWHA-OSMBCOQSSA-N 1 3 362.474 0.312 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550899670 1193819132 /nfs/dbraw/zinc/81/91/32/1193819132.db2.gz XOYQRVLJFVHTNA-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550899670 1193819134 /nfs/dbraw/zinc/81/91/34/1193819134.db2.gz XOYQRVLJFVHTNA-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000551075170 1193831608 /nfs/dbraw/zinc/83/16/08/1193831608.db2.gz SUBSCOMCCXZZKV-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000551075170 1193831611 /nfs/dbraw/zinc/83/16/11/1193831611.db2.gz SUBSCOMCCXZZKV-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000551151916 1193835715 /nfs/dbraw/zinc/83/57/15/1193835715.db2.gz LDXHGLMECWJUGL-CVEARBPZSA-N 1 3 369.554 0.079 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CC1CCOCC1 ZINC001088757072 1193891219 /nfs/dbraw/zinc/89/12/19/1193891219.db2.gz HKLKWJZTFQEIQW-AJYGOWOKSA-N 1 3 363.502 0.855 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CC1CCOCC1 ZINC001088757072 1193891222 /nfs/dbraw/zinc/89/12/22/1193891222.db2.gz HKLKWJZTFQEIQW-AJYGOWOKSA-N 1 3 363.502 0.855 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(N2CCN(C)CC2)ncn1 ZINC001218572939 1224176096 /nfs/dbraw/zinc/17/60/96/1224176096.db2.gz OZOLMKZTZKHXDR-HNNXBMFYSA-N 1 3 363.510 0.663 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105668646 1193953312 /nfs/dbraw/zinc/95/33/12/1193953312.db2.gz XZSMQCHDSNDAIR-RGCFKVTRSA-N 1 3 368.522 0.170 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105668646 1193953317 /nfs/dbraw/zinc/95/33/17/1193953317.db2.gz XZSMQCHDSNDAIR-RGCFKVTRSA-N 1 3 368.522 0.170 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccn2cnnc2c1 ZINC001218658654 1224192013 /nfs/dbraw/zinc/19/20/13/1224192013.db2.gz HMNNNDURSZTVRV-KBPBESRZSA-N 1 3 359.434 0.115 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675813 1194104926 /nfs/dbraw/zinc/10/49/26/1194104926.db2.gz RSQSPPLZNZGAJU-VVWQDTPRSA-N 1 3 368.522 0.039 20 0 FCADHO COc1cc2cc(C(N)=O)c(NC(=O)[C@H](N)CCC[NH3+])nc2cc1OC ZINC001218711723 1224201988 /nfs/dbraw/zinc/20/19/88/1224201988.db2.gz SSMQXVXHQJWRKL-LLVKDONJSA-N 1 3 361.402 0.356 20 0 FCADHO CC(C)C[C@H](N)C(=O)NCC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723961 1224205863 /nfs/dbraw/zinc/20/58/63/1224205863.db2.gz ASEBZKQZXNESIB-HNNXBMFYSA-N 1 3 362.478 0.437 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239955 1194362559 /nfs/dbraw/zinc/36/25/59/1194362559.db2.gz DWLXBPVGVPIXSL-BPQIPLTHSA-N 1 3 358.486 0.902 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239955 1194362560 /nfs/dbraw/zinc/36/25/60/1194362560.db2.gz DWLXBPVGVPIXSL-BPQIPLTHSA-N 1 3 358.486 0.902 20 0 FCADHO Cn1cc2cccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])c2n1 ZINC001218888926 1224250050 /nfs/dbraw/zinc/25/00/50/1224250050.db2.gz NDDYAEXQNWFWHD-HOCLYGCPSA-N 1 3 372.473 0.959 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccc2n[nH]cc21 ZINC001218896373 1224251192 /nfs/dbraw/zinc/25/11/92/1224251192.db2.gz TZKOKHPVPIFDAF-BBRMVZONSA-N 1 3 358.446 0.949 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919604 1224259991 /nfs/dbraw/zinc/25/99/91/1224259991.db2.gz VFZSAGJHUJWDPI-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919604 1224259996 /nfs/dbraw/zinc/25/99/96/1224259996.db2.gz VFZSAGJHUJWDPI-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO O=C(N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563209 1195219505 /nfs/dbraw/zinc/21/95/05/1195219505.db2.gz DUBDMGGGVRYLEO-KSZLIROESA-N 1 3 365.518 0.840 20 0 FCADHO O=C(N[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077309771 1195412086 /nfs/dbraw/zinc/41/20/86/1195412086.db2.gz GBTYYDJJZRXHRO-IAGOWNOFSA-N 1 3 371.441 0.122 20 0 FCADHO CN1CCN(C[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000906540180 1195636981 /nfs/dbraw/zinc/63/69/81/1195636981.db2.gz LVIFZHZICDHQFE-FQEVSTJZSA-N 1 3 373.545 0.585 20 0 FCADHO CN1CCN(C[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000906540180 1195636985 /nfs/dbraw/zinc/63/69/85/1195636985.db2.gz LVIFZHZICDHQFE-FQEVSTJZSA-N 1 3 373.545 0.585 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219025212 1224298699 /nfs/dbraw/zinc/29/86/99/1224298699.db2.gz ATYBGWLIRBISBW-AWEZNQCLSA-N 1 3 369.429 0.045 20 0 FCADHO CN(C)CCn1nccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000907290149 1195688186 /nfs/dbraw/zinc/68/81/86/1195688186.db2.gz AWTIRYPZICMDQK-GOSISDBHSA-N 1 3 371.485 0.941 20 0 FCADHO CN(C)CCn1nccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000907290149 1195688188 /nfs/dbraw/zinc/68/81/88/1195688188.db2.gz AWTIRYPZICMDQK-GOSISDBHSA-N 1 3 371.485 0.941 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000910827273 1195847037 /nfs/dbraw/zinc/84/70/37/1195847037.db2.gz BDGVCQANNUJMDC-HNNXBMFYSA-N 1 3 359.474 0.671 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961197 1195869239 /nfs/dbraw/zinc/86/92/39/1195869239.db2.gz BDYLPYMGRKAHTB-ROUUACIJSA-N 1 3 360.502 0.924 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911193009 1195907215 /nfs/dbraw/zinc/90/72/15/1195907215.db2.gz GJVBOTJQWOFNPD-QZTJIDSGSA-N 1 3 374.485 0.344 20 0 FCADHO NC(=O)C1CCN(c2ccccc2NC(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001219087374 1224347409 /nfs/dbraw/zinc/34/74/09/1224347409.db2.gz DRTRUFGDTCGBPJ-QGZVFWFLSA-N 1 3 359.474 0.654 20 0 FCADHO COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219170771 1224373358 /nfs/dbraw/zinc/37/33/58/1224373358.db2.gz YSWWLADFTANUDS-OAHLLOKOSA-N 1 3 374.441 0.057 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274354 1197743530 /nfs/dbraw/zinc/74/35/30/1197743530.db2.gz HITDELSPWBGJTD-KZNAEPCWSA-N 1 3 366.506 0.792 20 0 FCADHO COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255664 1197791785 /nfs/dbraw/zinc/79/17/85/1197791785.db2.gz DKCHCSLHUVQIEJ-JFIYKMOQSA-N 1 3 371.522 0.179 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000735587085 1197864313 /nfs/dbraw/zinc/86/43/13/1197864313.db2.gz GTZVPKPKNXKZLE-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000735587085 1197864315 /nfs/dbraw/zinc/86/43/15/1197864315.db2.gz GTZVPKPKNXKZLE-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1CNC[C@@H](F)C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500506 1224489250 /nfs/dbraw/zinc/48/92/50/1224489250.db2.gz CHZNHSBFICCUHB-FHGNATFXSA-N 1 3 362.405 0.765 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1C[C@H](OC)CCN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503855 1224490305 /nfs/dbraw/zinc/49/03/05/1224490305.db2.gz OBGKAXNYVDCOSN-VZMUKZCBSA-N 1 3 374.441 0.584 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370168 1199128587 /nfs/dbraw/zinc/12/85/87/1199128587.db2.gz QVENWPJJWWKSTG-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370168 1199128593 /nfs/dbraw/zinc/12/85/93/1199128593.db2.gz QVENWPJJWWKSTG-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1COC3(CNC3)CN1)CC21CC[NH2+]CC1 ZINC001219753402 1224596374 /nfs/dbraw/zinc/59/63/74/1224596374.db2.gz HHGPXJFMOAVUFO-MSOLQXFVSA-N 1 3 370.497 0.508 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773399 1224606744 /nfs/dbraw/zinc/60/67/44/1224606744.db2.gz QZTNKKPUTBAHDA-INIZCTEOSA-N 1 3 373.501 0.957 20 0 FCADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538724 1200370329 /nfs/dbraw/zinc/37/03/29/1200370329.db2.gz PLFYVNFEMCOTLB-OWEAFNKSSA-N 1 3 363.502 0.998 20 0 FCADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538724 1200370340 /nfs/dbraw/zinc/37/03/40/1200370340.db2.gz PLFYVNFEMCOTLB-OWEAFNKSSA-N 1 3 363.502 0.998 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538503 1200371650 /nfs/dbraw/zinc/37/16/50/1200371650.db2.gz FQWFPFKVQAYHIQ-IBTBTWTJSA-N 1 3 363.502 0.996 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538503 1200371657 /nfs/dbraw/zinc/37/16/57/1200371657.db2.gz FQWFPFKVQAYHIQ-IBTBTWTJSA-N 1 3 363.502 0.996 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001110017822 1200708770 /nfs/dbraw/zinc/70/87/70/1200708770.db2.gz OCLYFJNUBGGBNL-BDXSIMOUSA-N 1 3 371.522 0.464 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001110017822 1200708786 /nfs/dbraw/zinc/70/87/86/1200708786.db2.gz OCLYFJNUBGGBNL-BDXSIMOUSA-N 1 3 371.522 0.464 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112586368 1200822476 /nfs/dbraw/zinc/82/24/76/1200822476.db2.gz WCUPNAOVTFOMJJ-KHYOSLBOSA-N 1 3 364.490 0.350 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787113598 1200863986 /nfs/dbraw/zinc/86/39/86/1200863986.db2.gz HRIJMHMFKARCLX-QGZVFWFLSA-N 1 3 368.522 0.545 20 0 FCADHO Cc1ccc([C@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)N2CCC[NH2+]CC2)cc1 ZINC001219848067 1224652516 /nfs/dbraw/zinc/65/25/16/1224652516.db2.gz VWYVWCFZMJIFSJ-VNTMZGSJSA-N 1 3 372.513 0.967 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCCC1 ZINC000793703181 1201259838 /nfs/dbraw/zinc/25/98/38/1201259838.db2.gz WXVCMOBYUWJDSR-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793902491 1201274583 /nfs/dbraw/zinc/27/45/83/1201274583.db2.gz RFWGNZVEEVEKQN-TWMKSMIVSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793902491 1201274586 /nfs/dbraw/zinc/27/45/86/1201274586.db2.gz RFWGNZVEEVEKQN-TWMKSMIVSA-N 1 3 366.506 0.202 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129884019 1201412916 /nfs/dbraw/zinc/41/29/16/1201412916.db2.gz GSMMNLJVDHUCLQ-IKGGRYGDSA-N 1 3 364.494 0.531 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892333 1201416194 /nfs/dbraw/zinc/41/61/94/1201416194.db2.gz RWHCCVBJHXDYAG-IXDOHACOSA-N 1 3 364.494 0.386 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894326 1201428310 /nfs/dbraw/zinc/42/83/10/1201428310.db2.gz AYSWBXAQBNHEHL-CVEARBPZSA-N 1 3 364.494 0.531 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1 ZINC001129919496 1201441530 /nfs/dbraw/zinc/44/15/30/1201441530.db2.gz YEIDDICHLFFUSH-CVEARBPZSA-N 1 3 366.510 0.777 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1n1ccnn1 ZINC001129954283 1201448806 /nfs/dbraw/zinc/44/88/06/1201448806.db2.gz GJZCJGRCQPCXPC-CVEARBPZSA-N 1 3 364.494 0.531 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011970 1201471269 /nfs/dbraw/zinc/47/12/69/1201471269.db2.gz HEDSOAUEMLDENI-OAGGEKHMSA-N 1 3 364.494 0.386 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130047677 1201486584 /nfs/dbraw/zinc/48/65/84/1201486584.db2.gz NNWTUOCRAVGQMB-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130125322 1201506447 /nfs/dbraw/zinc/50/64/47/1201506447.db2.gz HGOZJENTUIHTBW-SJORKVTESA-N 1 3 364.494 0.532 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130237968 1201560446 /nfs/dbraw/zinc/56/04/46/1201560446.db2.gz MVCJNWRNBDOPOV-ILXRZTDVSA-N 1 3 364.494 0.633 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130237968 1201560450 /nfs/dbraw/zinc/56/04/50/1201560450.db2.gz MVCJNWRNBDOPOV-ILXRZTDVSA-N 1 3 364.494 0.633 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1)N(C)C ZINC001130302034 1201580672 /nfs/dbraw/zinc/58/06/72/1201580672.db2.gz NIAUQUXLWZMECB-RYRKJORJSA-N 1 3 368.522 0.184 20 0 FCADHO O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@@H]1CNCc2ccnn2C1 ZINC001219929743 1224687124 /nfs/dbraw/zinc/68/71/24/1224687124.db2.gz QZXZJURKKMRPFL-MRXNPFEDSA-N 1 3 354.458 0.781 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COC2(CNC2)CN1 ZINC001219941331 1224692201 /nfs/dbraw/zinc/69/22/01/1224692201.db2.gz VKBMXJSRJFGJAL-ZWKOTPCHSA-N 1 3 358.486 0.345 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COC2(CNC2)CN1 ZINC001219941331 1224692206 /nfs/dbraw/zinc/69/22/06/1224692206.db2.gz VKBMXJSRJFGJAL-ZWKOTPCHSA-N 1 3 358.486 0.345 20 0 FCADHO COC(=O)C1(NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001220001246 1224723303 /nfs/dbraw/zinc/72/33/03/1224723303.db2.gz NAUWHKVCMTZZES-CYBMUJFWSA-N 1 3 373.375 0.987 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220023096 1224730568 /nfs/dbraw/zinc/73/05/68/1224730568.db2.gz QFWBJGGFBRRCPB-YOEHRIQHSA-N 1 3 362.474 0.233 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130608143 1202729108 /nfs/dbraw/zinc/72/91/08/1202729108.db2.gz ZGJMMGOYHHSCHA-DOTOQJQBSA-N 1 3 363.506 0.825 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130602675 1202732020 /nfs/dbraw/zinc/73/20/20/1202732020.db2.gz NADYKAAQCNJPGR-ZMSDIMECSA-N 1 3 369.485 0.630 20 0 FCADHO Cc1nc(N)ccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220071833 1224745459 /nfs/dbraw/zinc/74/54/59/1224745459.db2.gz UGEKBYGXUDGWPR-GJZGRUSLSA-N 1 3 362.478 0.036 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001130943952 1202827313 /nfs/dbraw/zinc/82/73/13/1202827313.db2.gz PXDKQOZMXNNSHP-ZACQAIPSSA-N 1 3 363.506 0.825 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131003308 1202841008 /nfs/dbraw/zinc/84/10/08/1202841008.db2.gz CMRJABDFPAIYBH-OWCLPIDISA-N 1 3 369.485 0.366 20 0 FCADHO Cn1cncc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062115 1202854200 /nfs/dbraw/zinc/85/42/00/1202854200.db2.gz WXARNGNXQXTIKR-HZPDHXFCSA-N 1 3 359.478 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1ccnn1C ZINC001131062017 1202854226 /nfs/dbraw/zinc/85/42/26/1202854226.db2.gz RQOYCNSZZPFYEG-HZPDHXFCSA-N 1 3 359.478 0.190 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131091663 1202861290 /nfs/dbraw/zinc/86/12/90/1202861290.db2.gz ODKZUXMBGUDGMV-GVDBMIGSSA-N 1 3 363.506 0.682 20 0 FCADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001131519348 1202908625 /nfs/dbraw/zinc/90/86/25/1202908625.db2.gz LXIZPYYAZUWAAZ-TVFCKZIOSA-N 1 3 371.522 0.320 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001131522616 1202911235 /nfs/dbraw/zinc/91/12/35/1202911235.db2.gz PWNLRALUWXIRLZ-NUJGCVRESA-N 1 3 366.506 0.202 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC)CC1 ZINC001131595357 1202919159 /nfs/dbraw/zinc/91/91/59/1202919159.db2.gz VHHMADUWJYLPQP-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC)CC1 ZINC001131595357 1202919160 /nfs/dbraw/zinc/91/91/60/1202919160.db2.gz VHHMADUWJYLPQP-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131609048 1202920810 /nfs/dbraw/zinc/92/08/10/1202920810.db2.gz XSHZSECPUGSBGM-SCTDSRPQSA-N 1 3 371.522 0.320 20 0 FCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126551 1203015741 /nfs/dbraw/zinc/01/57/41/1203015741.db2.gz XHMADUBCOIZNQY-JQHSSLGASA-N 1 3 360.502 0.952 20 0 FCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126551 1203015744 /nfs/dbraw/zinc/01/57/44/1203015744.db2.gz XHMADUBCOIZNQY-JQHSSLGASA-N 1 3 360.502 0.952 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC001086784912 1203092591 /nfs/dbraw/zinc/09/25/91/1203092591.db2.gz APSAGHDWKHAOFO-GVDBMIGSSA-N 1 3 361.490 0.960 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000817975273 1203129638 /nfs/dbraw/zinc/12/96/38/1203129638.db2.gz SMWRUVNWHPYPQA-MSOLQXFVSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C1CN(C(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671505 1203323898 /nfs/dbraw/zinc/32/38/98/1203323898.db2.gz SJVMPROUMSZHGW-QXAKKESOSA-N 1 3 359.470 0.553 20 0 FCADHO CN(C1CN(C(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671505 1203323901 /nfs/dbraw/zinc/32/39/01/1203323901.db2.gz SJVMPROUMSZHGW-QXAKKESOSA-N 1 3 359.470 0.553 20 0 FCADHO O=C(NCc1ncn2c1CNCCC2)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001220313722 1224826412 /nfs/dbraw/zinc/82/64/12/1224826412.db2.gz UALUFZFRFOTQPG-CYBMUJFWSA-N 1 3 356.430 0.442 20 0 FCADHO O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354660 1224840074 /nfs/dbraw/zinc/84/00/74/1224840074.db2.gz VSTOWZHHHZLLGT-TVKQPGBESA-N 1 3 373.453 0.693 20 0 FCADHO N[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCCN2)CC[NH2+]C1 ZINC001220356702 1224840766 /nfs/dbraw/zinc/84/07/66/1224840766.db2.gz CXJZLPXAFHTGTB-FRQCXROJSA-N 1 3 360.458 0.253 20 0 FCADHO CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740807 1204838278 /nfs/dbraw/zinc/83/82/78/1204838278.db2.gz JRXWBWBTBMOGHB-SYNHAJSKSA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740807 1204838282 /nfs/dbraw/zinc/83/82/82/1204838282.db2.gz JRXWBWBTBMOGHB-SYNHAJSKSA-N 1 3 362.518 0.872 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087059496 1204944802 /nfs/dbraw/zinc/94/48/02/1204944802.db2.gz IZFFFLJOXCXZPZ-BZUAXINKSA-N 1 3 366.506 0.202 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087058827 1204966174 /nfs/dbraw/zinc/96/61/74/1204966174.db2.gz CLVZEWRTEMYXCW-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087058826 1204966898 /nfs/dbraw/zinc/96/68/98/1204966898.db2.gz CLVZEWRTEMYXCW-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429226 1224869523 /nfs/dbraw/zinc/86/95/23/1224869523.db2.gz NVALOZQNSPOAHH-FVNRHKFKSA-N 1 3 358.486 0.723 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429226 1224869525 /nfs/dbraw/zinc/86/95/25/1224869525.db2.gz NVALOZQNSPOAHH-FVNRHKFKSA-N 1 3 358.486 0.723 20 0 FCADHO C[NH+](C)[C@@](C)(C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001092190911 1205188212 /nfs/dbraw/zinc/18/82/12/1205188212.db2.gz ZSUHARXCHIRQME-LSTHTHJFSA-N 1 3 358.486 0.729 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611310 1205320053 /nfs/dbraw/zinc/32/00/53/1205320053.db2.gz RAPISNJKRGNKDR-KBAYOESNSA-N 1 3 362.518 0.635 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001092611480 1205324112 /nfs/dbraw/zinc/32/41/12/1205324112.db2.gz XTGVPZWUQYAEJL-QGPMSJSTSA-N 1 3 362.518 0.633 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)Cc2ccc(OCC)cc2)CC[NH2+]C1 ZINC001220521399 1224904955 /nfs/dbraw/zinc/90/49/55/1224904955.db2.gz FZLZCTMJKLFPDP-INIZCTEOSA-N 1 3 361.442 0.882 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)n1C ZINC001093821604 1206123146 /nfs/dbraw/zinc/12/31/46/1206123146.db2.gz CYGMISMBSSVUKN-DDUZABMNSA-N 1 3 362.522 0.902 20 0 FCADHO CC1(C)CC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496220 1206438131 /nfs/dbraw/zinc/43/81/31/1206438131.db2.gz ZVLVHDQSYJZCHT-LSDHHAIUSA-N 1 3 366.506 0.391 20 0 FCADHO CC(C)N1CC[C@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001182837996 1206444657 /nfs/dbraw/zinc/44/46/57/1206444657.db2.gz IKLQTLFEQSGFAI-KRWDZBQOSA-N 1 3 360.506 0.455 20 0 FCADHO C[N@@H+]1CCC[C@H](C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)C1 ZINC001186370607 1206495854 /nfs/dbraw/zinc/49/58/54/1206495854.db2.gz YNVZQBSQPBWLNZ-KRWDZBQOSA-N 1 3 358.486 0.965 20 0 FCADHO C[N@H+]1CCC[C@H](C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)C1 ZINC001186370607 1206495857 /nfs/dbraw/zinc/49/58/57/1206495857.db2.gz YNVZQBSQPBWLNZ-KRWDZBQOSA-N 1 3 358.486 0.965 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@@H]2CCCc3ccccc32)C[C@@H]1O ZINC001220764131 1225060447 /nfs/dbraw/zinc/06/04/47/1225060447.db2.gz AHHDMSIBQBSEDD-QRVBRYPASA-N 1 3 361.486 0.804 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1O ZINC001489399596 1208832059 /nfs/dbraw/zinc/83/20/59/1208832059.db2.gz VNJWLGUXPRVLPU-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1O ZINC001489399596 1208832062 /nfs/dbraw/zinc/83/20/62/1208832062.db2.gz VNJWLGUXPRVLPU-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO O=C(NCC1CCN(c2cnccn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220932264 1225147730 /nfs/dbraw/zinc/14/77/30/1225147730.db2.gz JNMDGEMGYQAEAR-MRXNPFEDSA-N 1 3 358.490 0.683 20 0 FCADHO O=C(NCC1CCN(c2cnccn2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220932264 1225147734 /nfs/dbraw/zinc/14/77/34/1225147734.db2.gz JNMDGEMGYQAEAR-MRXNPFEDSA-N 1 3 358.490 0.683 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)n3cc(C[NH3+])cnc3=N)cc(=O)oc2c1 ZINC001220951339 1225154930 /nfs/dbraw/zinc/15/49/30/1225154930.db2.gz YCGAFLSRAIUHRS-AWEZNQCLSA-N 1 3 369.381 0.146 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC1 ZINC001220969284 1225164936 /nfs/dbraw/zinc/16/49/36/1225164936.db2.gz VYMOJOJQBNWOQX-HOTGVXAUSA-N 1 3 362.449 0.713 20 0 FCADHO COc1ccccc1Cn1cncc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220969347 1225165251 /nfs/dbraw/zinc/16/52/51/1225165251.db2.gz YFGIHRFAKALRKB-OXQOHEQNSA-N 1 3 369.469 0.755 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002195 1225182056 /nfs/dbraw/zinc/18/20/56/1225182056.db2.gz IZVDOPYGPFKESH-BQFCYCMXSA-N 1 3 356.474 0.984 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221081638 1225213884 /nfs/dbraw/zinc/21/38/84/1225213884.db2.gz QZFZFXWPFBYRSX-QRVBRYPASA-N 1 3 367.534 0.965 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116070 1225228000 /nfs/dbraw/zinc/22/80/00/1225228000.db2.gz KGORBICDFLGLDE-YOEHRIQHSA-N 1 3 361.490 0.309 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884510052 1210741837 /nfs/dbraw/zinc/74/18/37/1210741837.db2.gz XFZJYXJBJIXGAC-JCGIZDLHSA-N 1 3 371.485 0.686 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884509357 1210741882 /nfs/dbraw/zinc/74/18/82/1210741882.db2.gz DJUSILNHAVZFBY-FMKPAKJESA-N 1 3 359.474 0.671 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884509322 1210741959 /nfs/dbraw/zinc/74/19/59/1210741959.db2.gz CNVQNURGKAXWCC-WMLDXEAASA-N 1 3 359.474 0.673 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884577325 1210755174 /nfs/dbraw/zinc/75/51/74/1210755174.db2.gz CJFNPLLLAOCSJD-OALUTQOASA-N 1 3 370.497 0.904 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577151 1210755303 /nfs/dbraw/zinc/75/53/03/1210755303.db2.gz YPFZELMUCIIFAZ-HOTGVXAUSA-N 1 3 366.506 0.109 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616984 1210763401 /nfs/dbraw/zinc/76/34/01/1210763401.db2.gz FULRSSNUCJSOGK-HZPDHXFCSA-N 1 3 366.506 0.252 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1=CC[N@H+](C)CC1 ZINC000884623357 1210764946 /nfs/dbraw/zinc/76/49/46/1210764946.db2.gz ANUUQTSZSOTSDH-KDOFPFPSSA-N 1 3 356.470 0.584 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1=CC[N@@H+](C)CC1 ZINC000884623357 1210764949 /nfs/dbraw/zinc/76/49/49/1210764949.db2.gz ANUUQTSZSOTSDH-KDOFPFPSSA-N 1 3 356.470 0.584 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631628 1210767673 /nfs/dbraw/zinc/76/76/73/1210767673.db2.gz QOIZAUDDAOCCEP-ROUUACIJSA-N 1 3 356.470 0.418 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631628 1210767684 /nfs/dbraw/zinc/76/76/84/1210767684.db2.gz QOIZAUDDAOCCEP-ROUUACIJSA-N 1 3 356.470 0.418 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000884690849 1210781272 /nfs/dbraw/zinc/78/12/72/1210781272.db2.gz NNISDVGLZRGVDA-YJBOKZPZSA-N 1 3 367.453 0.935 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000884690847 1210781749 /nfs/dbraw/zinc/78/17/49/1210781749.db2.gz NNISDVGLZRGVDA-MAUKXSAKSA-N 1 3 367.453 0.935 20 0 FCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000884779481 1210794211 /nfs/dbraw/zinc/79/42/11/1210794211.db2.gz YHFYRLPNCDSTJX-YOEHRIQHSA-N 1 3 359.474 0.358 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884838953 1210800834 /nfs/dbraw/zinc/80/08/34/1210800834.db2.gz SBZFHRRQOGCNQV-UHFFFAOYSA-N 1 3 358.486 0.893 20 0 FCADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885156023 1210813617 /nfs/dbraw/zinc/81/36/17/1210813617.db2.gz JCTVUDCKOKRHDK-SFHVURJKSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000885290555 1210817440 /nfs/dbraw/zinc/81/74/40/1210817440.db2.gz DWZUTEDZGPXCPT-CABCVRRESA-N 1 3 372.460 0.824 20 0 FCADHO O=C(NC[C@H]1CCN1C1CCOCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000885869173 1210821137 /nfs/dbraw/zinc/82/11/37/1210821137.db2.gz PRDAWRYODXMRBG-TZIWHRDSSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(NC[C@H]1CCN1C1CCOCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000885869173 1210821139 /nfs/dbraw/zinc/82/11/39/1210821139.db2.gz PRDAWRYODXMRBG-TZIWHRDSSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(NCc1ccc(N2CCCNC2=O)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221155852 1225243421 /nfs/dbraw/zinc/24/34/21/1225243421.db2.gz SRPWSIPZOAGLAE-DNVCBOLYSA-N 1 3 357.458 0.422 20 0 FCADHO CCc1nccc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275453093 1211240578 /nfs/dbraw/zinc/24/05/78/1211240578.db2.gz AIKXJVSQZWFNFO-IBGZPJMESA-N 1 3 359.474 0.942 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789656 1211283518 /nfs/dbraw/zinc/28/35/18/1211283518.db2.gz JAQMXZFMBQKAKH-FQEVSTJZSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789656 1211283521 /nfs/dbraw/zinc/28/35/21/1211283521.db2.gz JAQMXZFMBQKAKH-FQEVSTJZSA-N 1 3 364.534 0.727 20 0 FCADHO COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001275877952 1211303653 /nfs/dbraw/zinc/30/36/53/1211303653.db2.gz IKCHZMOVZPIKTH-HZMVEIRTSA-N 1 3 367.490 0.582 20 0 FCADHO COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CCC[N@H+](C)C1 ZINC001275877952 1211303652 /nfs/dbraw/zinc/30/36/52/1211303652.db2.gz IKCHZMOVZPIKTH-HZMVEIRTSA-N 1 3 367.490 0.582 20 0 FCADHO COC(=O)[C@H]1CC[C@H](CN2CC3(C2)COCC(=O)N3CC[NH+](C)C)CC1 ZINC001275879968 1211304746 /nfs/dbraw/zinc/30/47/46/1211304746.db2.gz JMIIGCAHHKHSEW-WKILWMFISA-N 1 3 367.490 0.441 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3[nH]nc4ccccc43)C2)OCC1=O ZINC001275926979 1211310966 /nfs/dbraw/zinc/31/09/66/1211310966.db2.gz ONZHOIMVKCZEQD-IBGZPJMESA-N 1 3 357.458 0.928 20 0 FCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000924670735 1211476901 /nfs/dbraw/zinc/47/69/01/1211476901.db2.gz HZCJWGBFGMXBMM-WBVHZDCISA-N 1 3 364.490 0.894 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926349327 1211537587 /nfs/dbraw/zinc/53/75/87/1211537587.db2.gz VSHHDDHHAICEAR-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C)CCN1CCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1=O ZINC000927296838 1211569133 /nfs/dbraw/zinc/56/91/33/1211569133.db2.gz KJKFYHUCTPNWKG-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221393399 1225306572 /nfs/dbraw/zinc/30/65/72/1225306572.db2.gz XSUNFNMMBUXTHQ-KRWDZBQOSA-N 1 3 358.486 0.921 20 0 FCADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221393399 1225306574 /nfs/dbraw/zinc/30/65/74/1225306574.db2.gz XSUNFNMMBUXTHQ-KRWDZBQOSA-N 1 3 358.486 0.921 20 0 FCADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)c1 ZINC001221402893 1225306366 /nfs/dbraw/zinc/30/63/66/1225306366.db2.gz DSTIKNNYDXNWAL-GLQYFDAESA-N 1 3 364.446 0.122 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1ccccn1)C1CC1 ZINC000931919932 1211783355 /nfs/dbraw/zinc/78/33/55/1211783355.db2.gz NECXMHARMNNQEK-QGZVFWFLSA-N 1 3 361.490 0.601 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@@H+]1C ZINC000953178578 1213002170 /nfs/dbraw/zinc/00/21/70/1213002170.db2.gz SEGCUDPJJFUUPZ-OGWOLHLISA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@H+]1C ZINC000953178578 1213002175 /nfs/dbraw/zinc/00/21/75/1213002175.db2.gz SEGCUDPJJFUUPZ-OGWOLHLISA-N 1 3 359.474 0.743 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001221771788 1225475804 /nfs/dbraw/zinc/47/58/04/1225475804.db2.gz HBUILHYCCLYTJG-BRWVUGGUSA-N 1 3 361.490 0.119 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827968 1213849611 /nfs/dbraw/zinc/84/96/11/1213849611.db2.gz CPCOYPPEQAZORA-PXNSSMCTSA-N 1 3 358.486 0.630 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N(C)Cc1ccccc1 ZINC000418936007 1213927098 /nfs/dbraw/zinc/92/70/98/1213927098.db2.gz BCYPJUGHVODLGB-OXJNMPFZSA-N 1 3 358.486 0.978 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001040103668 1214467956 /nfs/dbraw/zinc/46/79/56/1214467956.db2.gz BYFICUGKAJGQEA-FRQCXROJSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001040103668 1214467961 /nfs/dbraw/zinc/46/79/61/1214467961.db2.gz BYFICUGKAJGQEA-FRQCXROJSA-N 1 3 368.522 0.137 20 0 FCADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001221950294 1225549017 /nfs/dbraw/zinc/54/90/17/1225549017.db2.gz AGKILXPOVKZUFL-KZNAEPCWSA-N 1 3 369.506 0.293 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000963149542 1214750969 /nfs/dbraw/zinc/75/09/69/1214750969.db2.gz DHGDPRZZRJUIQA-SIXLDLHFSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000963149542 1214750973 /nfs/dbraw/zinc/75/09/73/1214750973.db2.gz DHGDPRZZRJUIQA-SIXLDLHFSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000963605959 1214831531 /nfs/dbraw/zinc/83/15/31/1214831531.db2.gz QKHBCPIDBUMIOC-MWQQHZPXSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000963605959 1214831534 /nfs/dbraw/zinc/83/15/34/1214831534.db2.gz QKHBCPIDBUMIOC-MWQQHZPXSA-N 1 3 359.474 0.884 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045942 1225588294 /nfs/dbraw/zinc/58/82/94/1225588294.db2.gz YDYDHWBGZVHLPT-ZHALLVOQSA-N 1 3 361.486 0.902 20 0 FCADHO c1cc(CN2CC[NH2+]CC2)cc(CN2CCOC[C@@]3(CNCCO3)C2)c1 ZINC001222186348 1225610313 /nfs/dbraw/zinc/61/03/13/1225610313.db2.gz FEYTYXRWPWSHSC-HXUWFJFHSA-N 1 3 360.502 0.283 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055966867 1215929454 /nfs/dbraw/zinc/92/94/54/1215929454.db2.gz LBZJRFQKWTVMMC-GPMSIDNRSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966867 1215929458 /nfs/dbraw/zinc/92/94/58/1215929458.db2.gz LBZJRFQKWTVMMC-GPMSIDNRSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCCCC1 ZINC000827321541 1216587119 /nfs/dbraw/zinc/58/71/19/1216587119.db2.gz QEQKIBYBJLMFEN-RDJZCZTQSA-N 1 3 366.506 0.347 20 0 FCADHO CCCN(C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068420226 1216735880 /nfs/dbraw/zinc/73/58/80/1216735880.db2.gz IUWCUHAZOCIWKC-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCCN(C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068420226 1216735883 /nfs/dbraw/zinc/73/58/83/1216735883.db2.gz IUWCUHAZOCIWKC-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068884222 1216764519 /nfs/dbraw/zinc/76/45/19/1216764519.db2.gz BRAOEFGBUFTWPD-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068884222 1216764525 /nfs/dbraw/zinc/76/45/25/1216764525.db2.gz BRAOEFGBUFTWPD-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885197 1216765394 /nfs/dbraw/zinc/76/53/94/1216765394.db2.gz PRROJAIDMKYFTG-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885197 1216765400 /nfs/dbraw/zinc/76/54/00/1216765400.db2.gz PRROJAIDMKYFTG-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223846760 1225739936 /nfs/dbraw/zinc/73/99/36/1225739936.db2.gz SECGCPYJYULMSW-SJORKVTESA-N 1 3 367.538 0.959 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(CCNC(=O)NC(C)C)[C@H]2C1 ZINC001223846760 1225739938 /nfs/dbraw/zinc/73/99/38/1225739938.db2.gz SECGCPYJYULMSW-SJORKVTESA-N 1 3 367.538 0.959 20 0 FCADHO C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961148 1225771055 /nfs/dbraw/zinc/77/10/55/1225771055.db2.gz ZJZFRSLROQJCEQ-UYAOXDASSA-N 1 3 366.550 0.709 20 0 FCADHO C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961148 1225771056 /nfs/dbraw/zinc/77/10/56/1225771056.db2.gz ZJZFRSLROQJCEQ-UYAOXDASSA-N 1 3 366.550 0.709 20 0 FCADHO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CCN1C ZINC000900804847 1218038647 /nfs/dbraw/zinc/03/86/47/1218038647.db2.gz NRFRMPXJXLYPJJ-ICSRJNTNSA-N 1 3 373.545 0.949 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3cccc4c3CCO4)C2)OCC1=O ZINC001277050855 1225814276 /nfs/dbraw/zinc/81/42/76/1225814276.db2.gz ZTWFYBVLQMZLKH-FQEVSTJZSA-N 1 3 359.470 0.986 20 0 FCADHO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCF)CC1 ZINC001052992531 1218870465 /nfs/dbraw/zinc/87/04/65/1218870465.db2.gz MNLLWTMFPMWVNN-TWMKSMIVSA-N 1 3 366.481 0.607 20 0 FCADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226790855 1225854641 /nfs/dbraw/zinc/85/46/41/1225854641.db2.gz GKZIZDZGVZBEQV-BRWVUGGUSA-N 1 3 371.522 0.512 20 0 FCADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccon1)C1CC1 ZINC001226801131 1225854771 /nfs/dbraw/zinc/85/47/71/1225854771.db2.gz SUKSLHRQEDVRMU-CKEIUWERSA-N 1 3 363.462 0.970 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001226922017 1225858347 /nfs/dbraw/zinc/85/83/47/1225858347.db2.gz KAGUIQRGAQHUOR-FMKPAKJESA-N 1 3 367.494 0.141 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059677 1219112980 /nfs/dbraw/zinc/11/29/80/1219112980.db2.gz JRSASMHRRDQKBL-HZPDHXFCSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059677 1219112986 /nfs/dbraw/zinc/11/29/86/1219112986.db2.gz JRSASMHRRDQKBL-HZPDHXFCSA-N 1 3 366.506 0.299 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804058338 1219113906 /nfs/dbraw/zinc/11/39/06/1219113906.db2.gz ZVLLLJZMCCYPEQ-ZACQAIPSSA-N 1 3 366.506 0.347 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804058338 1219113909 /nfs/dbraw/zinc/11/39/09/1219113909.db2.gz ZVLLLJZMCCYPEQ-ZACQAIPSSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804061174 1219117913 /nfs/dbraw/zinc/11/79/13/1219117913.db2.gz RURNQRWAGRSWHE-PVAVHDDUSA-N 1 3 366.506 0.155 20 0 FCADHO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)c3cn(-c4ccncc4)cn3)[C@@H]2C1 ZINC001277200447 1225871064 /nfs/dbraw/zinc/87/10/64/1225871064.db2.gz FAULNHFJVWEJSK-MAUKXSAKSA-N 1 3 354.458 0.975 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2NCc2ccnn2C)c1 ZINC001070563988 1219471682 /nfs/dbraw/zinc/47/16/82/1219471682.db2.gz OZIGPJWHIGYZJN-QILLFSRXSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2NCc2ccnn2C)c1 ZINC001070563988 1219471685 /nfs/dbraw/zinc/47/16/85/1219471685.db2.gz OZIGPJWHIGYZJN-QILLFSRXSA-N 1 3 371.489 0.190 20 0 FCADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001071062373 1219598137 /nfs/dbraw/zinc/59/81/37/1219598137.db2.gz ZGZNXAXXVQQEMT-XCRHUMRWSA-N 1 3 366.506 0.330 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC001072755001 1219621530 /nfs/dbraw/zinc/62/15/30/1219621530.db2.gz ONYPFHHDXMBJFX-DLBZAZTESA-N 1 3 362.518 0.873 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCCC2=O)C3)CC[N@H+]1C ZINC001072755001 1219621531 /nfs/dbraw/zinc/62/15/31/1219621531.db2.gz ONYPFHHDXMBJFX-DLBZAZTESA-N 1 3 362.518 0.873 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001098214656 1219742177 /nfs/dbraw/zinc/74/21/77/1219742177.db2.gz RINAOYZOCLXLRJ-DDBAPUKQSA-N 1 3 358.486 0.949 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001098214656 1219742183 /nfs/dbraw/zinc/74/21/83/1219742183.db2.gz RINAOYZOCLXLRJ-DDBAPUKQSA-N 1 3 358.486 0.949 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001098224778 1219744132 /nfs/dbraw/zinc/74/41/32/1219744132.db2.gz FHOSZNZVXPRACX-FPCVCCKLSA-N 1 3 356.474 0.583 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CCCO[C@H]1CCOC1)C2 ZINC001101375556 1220308943 /nfs/dbraw/zinc/30/89/43/1220308943.db2.gz YNRHQKYOPQJFAC-AYBZRNKSSA-N 1 3 362.474 0.928 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CCCO[C@H]1CCOC1)C2 ZINC001101375556 1220308947 /nfs/dbraw/zinc/30/89/47/1220308947.db2.gz YNRHQKYOPQJFAC-AYBZRNKSSA-N 1 3 362.474 0.928 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101443511 1220347399 /nfs/dbraw/zinc/34/73/99/1220347399.db2.gz INMHZHPRSONIPM-MJGOQNOKSA-N 1 3 368.522 0.261 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101443511 1220347402 /nfs/dbraw/zinc/34/74/02/1220347402.db2.gz INMHZHPRSONIPM-MJGOQNOKSA-N 1 3 368.522 0.261 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102101297 1220496585 /nfs/dbraw/zinc/49/65/85/1220496585.db2.gz WSQZJKKELYBSCD-BRWVUGGUSA-N 1 3 365.522 0.658 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102101297 1220496590 /nfs/dbraw/zinc/49/65/90/1220496590.db2.gz WSQZJKKELYBSCD-BRWVUGGUSA-N 1 3 365.522 0.658 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171334 1220533120 /nfs/dbraw/zinc/53/31/20/1220533120.db2.gz RXZOPPUYYTZQSN-QUJXQBBWSA-N 1 3 365.518 0.959 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171334 1220533124 /nfs/dbraw/zinc/53/31/24/1220533124.db2.gz RXZOPPUYYTZQSN-QUJXQBBWSA-N 1 3 365.518 0.959 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001102276803 1220568743 /nfs/dbraw/zinc/56/87/43/1220568743.db2.gz WSJIWBJYGAQVCH-MXSMSXNCSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001102276803 1220568749 /nfs/dbraw/zinc/56/87/49/1220568749.db2.gz WSJIWBJYGAQVCH-MXSMSXNCSA-N 1 3 364.534 0.927 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102330122 1220585285 /nfs/dbraw/zinc/58/52/85/1220585285.db2.gz CTQOTDCQEMPIAI-IIDMSEBBSA-N 1 3 366.506 0.406 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102330122 1220585287 /nfs/dbraw/zinc/58/52/87/1220585287.db2.gz CTQOTDCQEMPIAI-IIDMSEBBSA-N 1 3 366.506 0.406 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525825 1220681824 /nfs/dbraw/zinc/68/18/24/1220681824.db2.gz WZGSOHMBIUBBLS-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525825 1220681828 /nfs/dbraw/zinc/68/18/28/1220681828.db2.gz WZGSOHMBIUBBLS-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229180886 1225986422 /nfs/dbraw/zinc/98/64/22/1225986422.db2.gz NFWRLHFLCROSMF-HUUCEWRRSA-N 1 3 369.510 0.710 20 0 FCADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599021 1220720908 /nfs/dbraw/zinc/72/09/08/1220720908.db2.gz LIDODMSGRNEMPO-BZUAXINKSA-N 1 3 364.490 0.352 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229230428 1225991268 /nfs/dbraw/zinc/99/12/68/1225991268.db2.gz HFTLWNDHAUCMQS-HUUCEWRRSA-N 1 3 369.510 0.581 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)N(C)C ZINC001103140343 1220840111 /nfs/dbraw/zinc/84/01/11/1220840111.db2.gz ZOXBXHXFWPZUDJ-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)N(C)C ZINC001103140343 1220840112 /nfs/dbraw/zinc/84/01/12/1220840112.db2.gz ZOXBXHXFWPZUDJ-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CCCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396654 1220876981 /nfs/dbraw/zinc/87/69/81/1220876981.db2.gz CFXBLEJKYBDKPE-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO C[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396874 1220877105 /nfs/dbraw/zinc/87/71/05/1220877105.db2.gz NNMUXNYOJYWPPS-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103434009 1220882274 /nfs/dbraw/zinc/88/22/74/1220882274.db2.gz QWPXLIMMYCHSES-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103434009 1220882275 /nfs/dbraw/zinc/88/22/75/1220882275.db2.gz QWPXLIMMYCHSES-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001103444761 1220884913 /nfs/dbraw/zinc/88/49/13/1220884913.db2.gz IMKWBKWOJGWNHZ-NXHRZFHOSA-N 1 3 370.538 0.554 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001103444761 1220884916 /nfs/dbraw/zinc/88/49/16/1220884916.db2.gz IMKWBKWOJGWNHZ-NXHRZFHOSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647104 1220927808 /nfs/dbraw/zinc/92/78/08/1220927808.db2.gz URJHVMPZRCKECS-NVXWUHKLSA-N 1 3 362.518 0.683 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001229523107 1226015629 /nfs/dbraw/zinc/01/56/29/1226015629.db2.gz BALQEBCCGOMCSX-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001229523107 1226015634 /nfs/dbraw/zinc/01/56/34/1226015634.db2.gz BALQEBCCGOMCSX-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000782588196 1221173097 /nfs/dbraw/zinc/17/30/97/1221173097.db2.gz VVZJSSRNCCPBFW-IAGOWNOFSA-N 1 3 374.485 0.709 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC ZINC001229853851 1226037039 /nfs/dbraw/zinc/03/70/39/1226037039.db2.gz YGVDAWOSXZMFGE-HUUCEWRRSA-N 1 3 369.510 0.581 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC ZINC001229853851 1226037044 /nfs/dbraw/zinc/03/70/44/1226037044.db2.gz YGVDAWOSXZMFGE-HUUCEWRRSA-N 1 3 369.510 0.581 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC001117992724 1221680351 /nfs/dbraw/zinc/68/03/51/1221680351.db2.gz AVRKYZODHXLUNY-UHFFFAOYSA-N 1 3 364.494 0.664 20 0 FCADHO N[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCCCC1 ZINC001118205788 1221733098 /nfs/dbraw/zinc/73/30/98/1221733098.db2.gz QWPOTPSWIYAHMB-BBWFWOEESA-N 1 3 363.506 0.641 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230279868 1226071045 /nfs/dbraw/zinc/07/10/45/1226071045.db2.gz ISXBLAHURGOWPI-RBSFLKMASA-N 1 3 369.510 0.578 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC001118711942 1221822787 /nfs/dbraw/zinc/82/27/87/1221822787.db2.gz WNZFCJWLQARJGV-YOEHRIQHSA-N 1 3 364.490 0.123 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC001118711942 1221822791 /nfs/dbraw/zinc/82/27/91/1221822791.db2.gz WNZFCJWLQARJGV-YOEHRIQHSA-N 1 3 364.490 0.123 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC001118711935 1221822799 /nfs/dbraw/zinc/82/27/99/1221822799.db2.gz WNZFCJWLQARJGV-RHSMWYFYSA-N 1 3 364.490 0.123 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC001118711935 1221822801 /nfs/dbraw/zinc/82/28/01/1221822801.db2.gz WNZFCJWLQARJGV-RHSMWYFYSA-N 1 3 364.490 0.123 20 0 FCADHO CN1CCN(C2CCN(C(=O)NCC3([NH+](C)C)CCOCC3)CC2)CC1 ZINC001119035429 1221859118 /nfs/dbraw/zinc/85/91/18/1221859118.db2.gz PYOSPZLSWNSLKH-UHFFFAOYSA-N 1 3 367.538 0.519 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000841162968 1222811503 /nfs/dbraw/zinc/81/15/03/1222811503.db2.gz AGJZQOVMWVOWMP-QGZVFWFLSA-N 1 3 373.501 0.977 20 0 FCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842164669 1222838311 /nfs/dbraw/zinc/83/83/11/1222838311.db2.gz MGYRKXULOWAKRO-ROUUACIJSA-N 1 3 374.485 0.343 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000842201034 1222840698 /nfs/dbraw/zinc/84/06/98/1222840698.db2.gz GOWQZSLUFIOYQO-FGTMMUONSA-N 1 3 356.470 0.540 20 0 FCADHO COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN(CCOCCO)CC1 ZINC001151137854 1222917276 /nfs/dbraw/zinc/91/72/76/1222917276.db2.gz LVSBCVLVPSKSME-IAGOWNOFSA-N 1 3 371.522 0.323 20 0 FCADHO COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN(CCOCCO)CC1 ZINC001151137854 1222917282 /nfs/dbraw/zinc/91/72/82/1222917282.db2.gz LVSBCVLVPSKSME-IAGOWNOFSA-N 1 3 371.522 0.323 20 0 FCADHO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC[C@@H](N4CC(C[NH3+])C4)C3)c12 ZINC001155372906 1223034005 /nfs/dbraw/zinc/03/40/05/1223034005.db2.gz KXIJPVAWFCUDCA-CYBMUJFWSA-N 1 3 358.446 0.994 20 0 FCADHO COCCN1[C@H](C)CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000246564030 1223080618 /nfs/dbraw/zinc/08/06/18/1223080618.db2.gz LXYZQKKZSWPHDM-OKZBNKHCSA-N 1 3 369.554 0.621 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001157720442 1223081308 /nfs/dbraw/zinc/08/13/08/1223081308.db2.gz JDIYWBAQLAMMMP-QGZVFWFLSA-N 1 3 357.458 0.409 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001157720441 1223081366 /nfs/dbraw/zinc/08/13/66/1223081366.db2.gz JDIYWBAQLAMMMP-KRWDZBQOSA-N 1 3 357.458 0.409 20 0 FCADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118617 1223089549 /nfs/dbraw/zinc/08/95/49/1223089549.db2.gz BYIIQHXGUVIUDN-FIKGOQFSSA-N 1 3 368.481 0.808 20 0 FCADHO O=C(C[C@@H]1Cc2ccccc2CN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120217 1223089729 /nfs/dbraw/zinc/08/97/29/1223089729.db2.gz KKQYTDBGNWYVAF-JXFKEZNVSA-N 1 3 354.454 0.029 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158548133 1223102264 /nfs/dbraw/zinc/10/22/64/1223102264.db2.gz QUWMSQLWJVGFSO-HBFSDRIKSA-N 1 3 353.470 0.896 20 0 FCADHO C[C@@H]1C(=O)Nc2cnc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)nc2N1C ZINC001158581856 1223103307 /nfs/dbraw/zinc/10/33/07/1223103307.db2.gz YXOSGGYMTVNIOV-CYBMUJFWSA-N 1 3 373.505 0.906 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927047 1223112623 /nfs/dbraw/zinc/11/26/23/1223112623.db2.gz WAAWOBRAPMCZJE-LPHOPBHVSA-N 1 3 362.449 0.843 20 0 FCADHO Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H]2C[NH2+]CC24CNC4)CC3)cn1 ZINC001158983656 1223114637 /nfs/dbraw/zinc/11/46/37/1223114637.db2.gz WJZMLUCQLAYRPT-ZBFHGGJFSA-N 1 3 359.474 0.094 20 0 FCADHO O=C(N1Cc2nccn2C[C@@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159583983 1223130003 /nfs/dbraw/zinc/13/00/03/1223130003.db2.gz FAHCHEINKKEYLU-MBOZVWFJSA-N 1 3 373.501 0.467 20 0 FCADHO O=C(C1CC2(C[NH2+]C2)C1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667532 1223132732 /nfs/dbraw/zinc/13/27/32/1223132732.db2.gz UXMGBROWSYVKOL-MSOLQXFVSA-N 1 3 356.470 0.883 20 0 FCADHO C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001159695943 1223133965 /nfs/dbraw/zinc/13/39/65/1223133965.db2.gz HGFZZDMCEJDDOC-XJKSGUPXSA-N 1 3 359.474 0.522 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159722944 1223135125 /nfs/dbraw/zinc/13/51/25/1223135125.db2.gz NIDNEQHPUFILSC-KGLIPLIRSA-N 1 3 371.445 0.263 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159994656 1223142242 /nfs/dbraw/zinc/14/22/42/1223142242.db2.gz SUIDBSGDHCVUGQ-KRWDZBQOSA-N 1 3 373.501 0.046 20 0 FCADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]12 ZINC001159993748 1223142320 /nfs/dbraw/zinc/14/23/20/1223142320.db2.gz QNINRAXRHOKILK-BJLQDIEVSA-N 1 3 358.486 0.844 20 0 FCADHO Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@H]4C[NH2+]CC45CNC5)C3)CC2=O)s1 ZINC001160095234 1223145028 /nfs/dbraw/zinc/14/50/28/1223145028.db2.gz UGDKJDMYDMSTFT-KDOFPFPSSA-N 1 3 374.510 0.821 20 0 FCADHO O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]21 ZINC001160119097 1223145964 /nfs/dbraw/zinc/14/59/64/1223145964.db2.gz CAFFEZBFPZCVOF-ARFHVFGLSA-N 1 3 372.469 0.827 20 0 FCADHO O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]21 ZINC001160119097 1223145966 /nfs/dbraw/zinc/14/59/66/1223145966.db2.gz CAFFEZBFPZCVOF-ARFHVFGLSA-N 1 3 372.469 0.827 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129656 1223146641 /nfs/dbraw/zinc/14/66/41/1223146641.db2.gz ZPMQKLJKCOQRCW-HNNXBMFYSA-N 1 3 370.457 0.678 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129656 1223146645 /nfs/dbraw/zinc/14/66/45/1223146645.db2.gz ZPMQKLJKCOQRCW-HNNXBMFYSA-N 1 3 370.457 0.678 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160177893 1223148008 /nfs/dbraw/zinc/14/80/08/1223148008.db2.gz AILOZPZEABZRKB-CQSZACIVSA-N 1 3 369.425 0.342 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160230142 1223150861 /nfs/dbraw/zinc/15/08/61/1223150861.db2.gz IBDRXHGDXQMEPU-SJORKVTESA-N 1 3 372.473 0.520 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298888 1223153938 /nfs/dbraw/zinc/15/39/38/1223153938.db2.gz AUSQUBPNAZROGQ-IFXJQAMLSA-N 1 3 374.441 0.437 20 0 FCADHO O=C(C1CC[NH2+]CC1)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001160405586 1223157964 /nfs/dbraw/zinc/15/79/64/1223157964.db2.gz JYHFVXCPIOXSHE-UHFFFAOYSA-N 1 3 355.446 0.699 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)COC1(C)C ZINC001160463931 1223161015 /nfs/dbraw/zinc/16/10/15/1223161015.db2.gz QPIYLLHXAWXBRG-XHSDSOJGSA-N 1 3 366.506 0.774 20 0 FCADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160826208 1223177062 /nfs/dbraw/zinc/17/70/62/1223177062.db2.gz VMDYZEROMDELGQ-GOEBONIOSA-N 1 3 365.478 0.894 20 0 FCADHO O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160936009 1223180979 /nfs/dbraw/zinc/18/09/79/1223180979.db2.gz FAQQOSDWMFFMNQ-INIZCTEOSA-N 1 3 357.458 0.240 20 0 FCADHO O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160936009 1223180981 /nfs/dbraw/zinc/18/09/81/1223180981.db2.gz FAQQOSDWMFFMNQ-INIZCTEOSA-N 1 3 357.458 0.240 20 0 FCADHO O=C([C@H]1CNC[C@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196351 1223188512 /nfs/dbraw/zinc/18/85/12/1223188512.db2.gz DLJBKQKOLJZETI-QZTJIDSGSA-N 1 3 370.513 0.485 20 0 FCADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161171968 1223188560 /nfs/dbraw/zinc/18/85/60/1223188560.db2.gz RIGZZFMGIXTAAQ-JGGQBBKZSA-N 1 3 363.462 0.293 20 0 FCADHO CCN(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001161333684 1223196518 /nfs/dbraw/zinc/19/65/18/1223196518.db2.gz WEDCAOARLYEPCS-HOTGVXAUSA-N 1 3 361.490 0.910 20 0 FCADHO COc1ccnc(OC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)n1 ZINC001161367631 1223197205 /nfs/dbraw/zinc/19/72/05/1223197205.db2.gz NBGPQSMLJTVDBA-FZKQIMNGSA-N 1 3 361.446 0.054 20 0 FCADHO COc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C2)ccn1 ZINC001161393575 1223198051 /nfs/dbraw/zinc/19/80/51/1223198051.db2.gz IDHSYSSMVWJXIN-CVEARBPZSA-N 1 3 360.458 0.944 20 0 FCADHO COc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C2)ccn1 ZINC001161393575 1223198054 /nfs/dbraw/zinc/19/80/54/1223198054.db2.gz IDHSYSSMVWJXIN-CVEARBPZSA-N 1 3 360.458 0.944 20 0 FCADHO c1ncc([C@H]2CN3CCC2CC3)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973372 1223222561 /nfs/dbraw/zinc/22/25/61/1223222561.db2.gz JOAJCTQGIPVELF-AWEZNQCLSA-N 1 3 354.462 0.983 20 0 FCADHO c1cc(NCc2nnn3c2CNCCC3)cn2nc([C@H]3CC[NH2+]C3)nc12 ZINC001162978179 1223222577 /nfs/dbraw/zinc/22/25/77/1223222577.db2.gz TULAUZUEBAAMFI-LBPRGKRZSA-N 1 3 353.434 0.503 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[NH2+]C3)c2c1CNCC2 ZINC001165937122 1223262380 /nfs/dbraw/zinc/26/23/80/1223262380.db2.gz KGVZSFXESAUAMP-GFCCVEGCSA-N 1 3 367.457 0.578 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCC(=O)Nc3ccon3)CC2)CC[N@@H+]1C ZINC001205334976 1223320067 /nfs/dbraw/zinc/32/00/67/1223320067.db2.gz UMKFGAAOWVYRGV-UKRRQHHQSA-N 1 3 363.462 0.782 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001205334976 1223320068 /nfs/dbraw/zinc/32/00/68/1223320068.db2.gz UMKFGAAOWVYRGV-UKRRQHHQSA-N 1 3 363.462 0.782 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001208071302 1223513388 /nfs/dbraw/zinc/51/33/88/1223513388.db2.gz ZNOGAXAXLSSHPM-BFYDXBDKSA-N 1 3 362.474 0.817 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001208071302 1223513391 /nfs/dbraw/zinc/51/33/91/1223513391.db2.gz ZNOGAXAXLSSHPM-BFYDXBDKSA-N 1 3 362.474 0.817 20 0 FCADHO COC(=O)c1cccc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276589499 1223580470 /nfs/dbraw/zinc/58/04/70/1223580470.db2.gz UTJHAHZTPQWNLV-LJQANCHMSA-N 1 3 360.458 0.854 20 0 FCADHO Nc1cc[nH+]cc1CN1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734048 1223646408 /nfs/dbraw/zinc/64/64/08/1223646408.db2.gz KUXKSOFANPRDDQ-IEBWSBKVSA-N 1 3 360.458 0.724 20 0 FCADHO CO[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638545 1223826061 /nfs/dbraw/zinc/82/60/61/1223826061.db2.gz SXXSKZJHHUOTMD-CGTJXYLNSA-N 1 3 369.506 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001214336124 1223902419 /nfs/dbraw/zinc/90/24/19/1223902419.db2.gz UWHKXIGNFIDJCW-MGPQQGTHSA-N 1 3 367.494 0.141 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001215003445 1223963049 /nfs/dbraw/zinc/96/30/49/1223963049.db2.gz DGWJTAXSTDUOJT-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001215003445 1223963050 /nfs/dbraw/zinc/96/30/50/1223963050.db2.gz DGWJTAXSTDUOJT-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215416581 1223998429 /nfs/dbraw/zinc/99/84/29/1223998429.db2.gz UZSGZRDDVJXQIB-OWCLPIDISA-N 1 3 366.506 0.060 20 0 FCADHO CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423369 1223998974 /nfs/dbraw/zinc/99/89/74/1223998974.db2.gz JCZTWMNCVGJIIT-RBSFLKMASA-N 1 3 369.510 0.387 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540790 1224005346 /nfs/dbraw/zinc/00/53/46/1224005346.db2.gz QCPVGTLAGSZOPY-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1)N(C)C ZINC001215571834 1224006894 /nfs/dbraw/zinc/00/68/94/1224006894.db2.gz WYFTWGGVJLVVKX-OIISXLGYSA-N 1 3 361.490 0.475 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598737 1224008865 /nfs/dbraw/zinc/00/88/65/1224008865.db2.gz HOXMVKTUZLRBJR-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599310 1224008914 /nfs/dbraw/zinc/00/89/14/1224008914.db2.gz ZLLXACKVISMEKP-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216001990 1224029421 /nfs/dbraw/zinc/02/94/21/1224029421.db2.gz NFSASWBVNIMAAU-SOLBZPMBSA-N 1 3 367.490 0.935 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384110 1224048204 /nfs/dbraw/zinc/04/82/04/1224048204.db2.gz YGBPRRGGDXVEHG-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384110 1224048207 /nfs/dbraw/zinc/04/82/07/1224048207.db2.gz YGBPRRGGDXVEHG-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001216402027 1224048669 /nfs/dbraw/zinc/04/86/69/1224048669.db2.gz SNCQNUUWLPOJTB-HZPDHXFCSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NC1CCCCC1 ZINC001216404821 1224048930 /nfs/dbraw/zinc/04/89/30/1224048930.db2.gz DYZFMWJAWUCPAY-NVXWUHKLSA-N 1 3 362.518 0.968 20 0 FCADHO COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216458875 1224052598 /nfs/dbraw/zinc/05/25/98/1224052598.db2.gz GBAYISJAZKWOCA-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752250 1224068270 /nfs/dbraw/zinc/06/82/70/1224068270.db2.gz JBHHRVWLWSMPMB-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752250 1224068271 /nfs/dbraw/zinc/06/82/71/1224068271.db2.gz JBHHRVWLWSMPMB-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216853932 1224078951 /nfs/dbraw/zinc/07/89/51/1224078951.db2.gz OUXCNXARPOGFDC-SOLBZPMBSA-N 1 3 367.490 0.934 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993492585 1249587471 /nfs/dbraw/zinc/58/74/71/1249587471.db2.gz PNCXDNZEQPHGJP-KBXCAEBGSA-N 1 3 357.458 0.355 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000849056612 1245391202 /nfs/dbraw/zinc/39/12/02/1245391202.db2.gz ZRSBUUNEBXQGEX-CQSZACIVSA-N 1 3 364.494 0.839 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC[C@@H]4CCOC4)C3)CC2)CC[N@@H+]1C ZINC000941412481 1246607874 /nfs/dbraw/zinc/60/78/74/1246607874.db2.gz HDFUQHGUAWLECR-ZHALLVOQSA-N 1 3 364.534 0.582 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC[C@@H]4CCOC4)C3)CC2)CC[N@H+]1C ZINC000941412481 1246607882 /nfs/dbraw/zinc/60/78/82/1246607882.db2.gz HDFUQHGUAWLECR-ZHALLVOQSA-N 1 3 364.534 0.582 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552658 1247128278 /nfs/dbraw/zinc/12/82/78/1247128278.db2.gz LTQCBSYBNSQQGM-BRWVUGGUSA-N 1 3 366.506 0.010 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943602338 1247366486 /nfs/dbraw/zinc/36/64/86/1247366486.db2.gz ZJIDXVPKJMRCLQ-ARFHVFGLSA-N 1 3 366.506 0.155 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943602338 1247366490 /nfs/dbraw/zinc/36/64/90/1247366490.db2.gz ZJIDXVPKJMRCLQ-ARFHVFGLSA-N 1 3 366.506 0.155 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CCC1 ZINC000972739067 1248128265 /nfs/dbraw/zinc/12/82/65/1248128265.db2.gz MTKSNNPGDKWMAO-NVXWUHKLSA-N 1 3 360.502 0.626 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC000976608403 1248289957 /nfs/dbraw/zinc/28/99/57/1248289957.db2.gz JMPFCDUSMKWHRU-FIDHJVLJSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC000976608403 1248289962 /nfs/dbraw/zinc/28/99/62/1248289962.db2.gz JMPFCDUSMKWHRU-FIDHJVLJSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC000976610131 1248292233 /nfs/dbraw/zinc/29/22/33/1248292233.db2.gz PMUCLLRJSMLTMP-MNWMBMHPSA-N 1 3 362.518 0.630 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]32)CC[N@H+]1C ZINC000976610131 1248292244 /nfs/dbraw/zinc/29/22/44/1248292244.db2.gz PMUCLLRJSMLTMP-MNWMBMHPSA-N 1 3 362.518 0.630 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001328208571 1265504385 /nfs/dbraw/zinc/50/43/85/1265504385.db2.gz UZYGFPBKXUMIQV-QGZVFWFLSA-N 1 3 366.506 0.345 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000995348130 1250825745 /nfs/dbraw/zinc/82/57/45/1250825745.db2.gz RAIAVSFHZVAALN-VQIMIIECSA-N 1 3 371.485 0.935 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(=O)N3CCOCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825469 1250994979 /nfs/dbraw/zinc/99/49/79/1250994979.db2.gz NELBEZZFRDOITB-OAGGEKHMSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(=O)N3CCOCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995825469 1250994987 /nfs/dbraw/zinc/99/49/87/1250994987.db2.gz NELBEZZFRDOITB-OAGGEKHMSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(CCN2CCNC2=O)CC1 ZINC000997096946 1251494744 /nfs/dbraw/zinc/49/47/44/1251494744.db2.gz FXXTYMDNKXJJQF-BFYDXBDKSA-N 1 3 365.522 0.569 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(CCN2CCNC2=O)CC1 ZINC000997096946 1251494748 /nfs/dbraw/zinc/49/47/48/1251494748.db2.gz FXXTYMDNKXJJQF-BFYDXBDKSA-N 1 3 365.522 0.569 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(CCN2CCNC2=O)CC1 ZINC000997595617 1251634677 /nfs/dbraw/zinc/63/46/77/1251634677.db2.gz FXXTYMDNKXJJQF-ZMSDIMECSA-N 1 3 365.522 0.569 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(CCN2CCNC2=O)CC1 ZINC000997595617 1251634684 /nfs/dbraw/zinc/63/46/84/1251634684.db2.gz FXXTYMDNKXJJQF-ZMSDIMECSA-N 1 3 365.522 0.569 20 0 FCADHO CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001003744818 1253086791 /nfs/dbraw/zinc/08/67/91/1253086791.db2.gz BMNHKSUKCPZMNL-BDXSIMOUSA-N 1 3 362.518 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001005414963 1253550553 /nfs/dbraw/zinc/55/05/53/1253550553.db2.gz JCBRJXOYMIEEPB-DLBZAZTESA-N 1 3 365.522 0.665 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001005414963 1253550557 /nfs/dbraw/zinc/55/05/57/1253550557.db2.gz JCBRJXOYMIEEPB-DLBZAZTESA-N 1 3 365.522 0.665 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059732554 1254113178 /nfs/dbraw/zinc/11/31/78/1254113178.db2.gz SRJVJYCDSOLDMW-OWCLPIDISA-N 1 3 361.490 0.956 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059732554 1254113182 /nfs/dbraw/zinc/11/31/82/1254113182.db2.gz SRJVJYCDSOLDMW-OWCLPIDISA-N 1 3 361.490 0.956 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001061663012 1254200185 /nfs/dbraw/zinc/20/01/85/1254200185.db2.gz FNYJJIAOCFJDCZ-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001061663012 1254200195 /nfs/dbraw/zinc/20/01/95/1254200195.db2.gz FNYJJIAOCFJDCZ-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001065212625 1254493518 /nfs/dbraw/zinc/49/35/18/1254493518.db2.gz RCQBBMPOMXSIOJ-YESZJQIVSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001065212625 1254493525 /nfs/dbraw/zinc/49/35/25/1254493525.db2.gz RCQBBMPOMXSIOJ-YESZJQIVSA-N 1 3 368.522 0.401 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001065411655 1254528523 /nfs/dbraw/zinc/52/85/23/1254528523.db2.gz YZSBZIVRAVQWPE-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001065411655 1254528533 /nfs/dbraw/zinc/52/85/33/1254528533.db2.gz YZSBZIVRAVQWPE-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001078404234 1255408424 /nfs/dbraw/zinc/40/84/24/1255408424.db2.gz WCMUBDZWYGXYGH-FGTMMUONSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001078404234 1255408431 /nfs/dbraw/zinc/40/84/31/1255408431.db2.gz WCMUBDZWYGXYGH-FGTMMUONSA-N 1 3 363.506 0.858 20 0 FCADHO Cc1ccc2nc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn2c1 ZINC001330252651 1265973136 /nfs/dbraw/zinc/97/31/36/1265973136.db2.gz OJIRMZNRKVXJHJ-UHFFFAOYSA-N 1 3 374.489 0.211 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039163 1255721415 /nfs/dbraw/zinc/72/14/15/1255721415.db2.gz ZZFHKFQLUNLXAL-BRWVUGGUSA-N 1 3 361.490 0.309 20 0 FCADHO CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080876885 1256069813 /nfs/dbraw/zinc/06/98/13/1256069813.db2.gz USHCYVNTBYCBOT-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080876885 1256069819 /nfs/dbraw/zinc/06/98/19/1256069819.db2.gz USHCYVNTBYCBOT-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080877629 1256071021 /nfs/dbraw/zinc/07/10/21/1256071021.db2.gz GCPAPNANWIBXQJ-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080877629 1256071028 /nfs/dbraw/zinc/07/10/28/1256071028.db2.gz GCPAPNANWIBXQJ-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H](OC)C1 ZINC001081932693 1256458980 /nfs/dbraw/zinc/45/89/80/1256458980.db2.gz SFYOGRPRMBOURN-IAOVAPTHSA-N 1 3 359.430 0.731 20 0 FCADHO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H](OC)C1 ZINC001081932693 1256458984 /nfs/dbraw/zinc/45/89/84/1256458984.db2.gz SFYOGRPRMBOURN-IAOVAPTHSA-N 1 3 359.430 0.731 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082544865 1256834631 /nfs/dbraw/zinc/83/46/31/1256834631.db2.gz VWSGGRBUEZDGLL-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082544865 1256834640 /nfs/dbraw/zinc/83/46/40/1256834640.db2.gz VWSGGRBUEZDGLL-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082851808 1257104400 /nfs/dbraw/zinc/10/44/00/1257104400.db2.gz DIIZXQOMHPRARR-FHLIZLRMSA-N 1 3 362.518 0.776 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088063 1257911875 /nfs/dbraw/zinc/91/18/75/1257911875.db2.gz OHOWREUGESYNEL-LZQZEXGQSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088063 1257911878 /nfs/dbraw/zinc/91/18/78/1257911878.db2.gz OHOWREUGESYNEL-LZQZEXGQSA-N 1 3 361.486 0.950 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001331113409 1266149252 /nfs/dbraw/zinc/14/92/52/1266149252.db2.gz SPLGGDHZGGRHCA-KZNAEPCWSA-N 1 3 358.486 0.806 20 0 FCADHO Cn1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001084349602 1258042512 /nfs/dbraw/zinc/04/25/12/1258042512.db2.gz SMEBWBMQYUYJDG-GUDVDZBRSA-N 1 3 370.497 0.760 20 0 FCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001331166811 1266161669 /nfs/dbraw/zinc/16/16/69/1266161669.db2.gz MKSCYNGYYDQSTL-FGTMMUONSA-N 1 3 374.485 0.247 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001084630684 1258210235 /nfs/dbraw/zinc/21/02/35/1258210235.db2.gz QFPVDEGTDAAQOC-BRWVUGGUSA-N 1 3 358.490 0.640 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033099 1258534552 /nfs/dbraw/zinc/53/45/52/1258534552.db2.gz QJBJCBALPZWXKI-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033099 1258534554 /nfs/dbraw/zinc/53/45/54/1258534554.db2.gz QJBJCBALPZWXKI-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637440 1258920422 /nfs/dbraw/zinc/92/04/22/1258920422.db2.gz PQQIUYAQJZKLTD-JYBIWHBTSA-N 1 3 367.534 0.819 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779564 1258961691 /nfs/dbraw/zinc/96/16/91/1258961691.db2.gz RWCQDZHCACXQAK-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001106785076 1258964031 /nfs/dbraw/zinc/96/40/31/1258964031.db2.gz WGSMFKUTLGYHST-IXDOHACOSA-N 1 3 368.522 0.260 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001106785083 1258964043 /nfs/dbraw/zinc/96/40/43/1258964043.db2.gz WIMJHMOAOOURFY-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106906101 1258993550 /nfs/dbraw/zinc/99/35/50/1258993550.db2.gz XDBQHYNITDNIND-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001106910400 1258994386 /nfs/dbraw/zinc/99/43/86/1258994386.db2.gz WIUKEZDAQIGGMF-HZPDHXFCSA-N 1 3 364.490 0.922 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001107039216 1259022247 /nfs/dbraw/zinc/02/22/47/1259022247.db2.gz NCTKNMHCFXUJKL-ZACQAIPSSA-N 1 3 368.522 0.306 20 0 FCADHO CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[n-]1 ZINC001130251124 1259375746 /nfs/dbraw/zinc/37/57/46/1259375746.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 1 3 370.473 0.584 20 0 FCADHO CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[n-]1 ZINC001130251124 1259375751 /nfs/dbraw/zinc/37/57/51/1259375751.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 1 3 370.473 0.584 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566129 1259657014 /nfs/dbraw/zinc/65/70/14/1259657014.db2.gz FWFGBAMBHOJNDG-HZSPNIEDSA-N 1 3 362.478 0.272 20 0 FCADHO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C1CC[NH2+]CC1)CCC2 ZINC001246703165 1259664132 /nfs/dbraw/zinc/66/41/32/1259664132.db2.gz QTOAREVNXRYRSO-JXFKEZNVSA-N 1 3 372.517 0.835 20 0 FCADHO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C1CCNCC1)CCC2 ZINC001246703165 1259664139 /nfs/dbraw/zinc/66/41/39/1259664139.db2.gz QTOAREVNXRYRSO-JXFKEZNVSA-N 1 3 372.517 0.835 20 0 FCADHO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C1CCNCC1)CCC2 ZINC001246703165 1259664146 /nfs/dbraw/zinc/66/41/46/1259664146.db2.gz QTOAREVNXRYRSO-JXFKEZNVSA-N 1 3 372.517 0.835 20 0 FCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740574 1259674609 /nfs/dbraw/zinc/67/46/09/1259674609.db2.gz MTPOFOZSARAIMT-XEIOYGOASA-N 1 3 359.474 0.684 20 0 FCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740574 1259674618 /nfs/dbraw/zinc/67/46/18/1259674618.db2.gz MTPOFOZSARAIMT-XEIOYGOASA-N 1 3 359.474 0.684 20 0 FCADHO Cn1cc(N2CC[C@]3(CCCN([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768949 1259685747 /nfs/dbraw/zinc/68/57/47/1259685747.db2.gz CZPHAYVDRMAGDZ-QAPCUYQASA-N 1 3 358.490 0.333 20 0 FCADHO c1cc(-c2noc(C34CNCC3C[NH2+]C4)n2)ccc1CN1CCOCC1 ZINC001247852923 1259707585 /nfs/dbraw/zinc/70/75/85/1259707585.db2.gz YGUZIPPUTIFUNR-UHFFFAOYSA-N 1 3 355.442 0.629 20 0 FCADHO C[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001249070168 1259720687 /nfs/dbraw/zinc/72/06/87/1259720687.db2.gz IPTDYNYDKCPQRC-ZDUSSCGKSA-N 1 3 358.446 0.447 20 0 FCADHO CCOC[C@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001252041931 1259776449 /nfs/dbraw/zinc/77/64/49/1259776449.db2.gz WINPGVJODJFAJD-QZTJIDSGSA-N 1 3 363.502 0.788 20 0 FCADHO CCCCOC[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252507760 1259793895 /nfs/dbraw/zinc/79/38/95/1259793895.db2.gz QTWILPZISOTKFU-GOSISDBHSA-N 1 3 365.518 0.988 20 0 FCADHO CCCCOC[C@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252507760 1259793900 /nfs/dbraw/zinc/79/39/00/1259793900.db2.gz QTWILPZISOTKFU-GOSISDBHSA-N 1 3 365.518 0.988 20 0 FCADHO COc1cccc(OC[C@@H](O)CN2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001253958063 1259867101 /nfs/dbraw/zinc/86/71/01/1259867101.db2.gz KUJHRYXQIYMDTL-INIZCTEOSA-N 1 3 365.474 0.531 20 0 FCADHO CCOC(=O)C(Cc1cn(CCCC[NH2+]CCCN)nn1)C(=O)OCC ZINC001254164638 1259875800 /nfs/dbraw/zinc/87/58/00/1259875800.db2.gz QDUGFTDMRNSUMF-UHFFFAOYSA-N 1 3 369.466 0.282 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335987023 1259932066 /nfs/dbraw/zinc/93/20/66/1259932066.db2.gz RKNLYVIZDWRZCZ-CRIYYSNOSA-N 1 3 351.495 0.498 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273841 1260063821 /nfs/dbraw/zinc/06/38/21/1260063821.db2.gz VFPKWXWNOBKXEE-HZPDHXFCSA-N 1 3 351.495 0.467 20 0 FCADHO COC[C@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCCC[NH2+]1 ZINC001332010861 1266316077 /nfs/dbraw/zinc/31/60/77/1266316077.db2.gz FJGAQPIOKRXMMH-SFHVURJKSA-N 1 3 366.506 0.478 20 0 FCADHO C[C@H]1C[C@@H]1CN1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825941 1260938804 /nfs/dbraw/zinc/93/88/04/1260938804.db2.gz IBRDXCNQKVEZOI-LQKXBSAESA-N 1 3 360.462 0.726 20 0 FCADHO CC(=O)N1CCC[C@H](CN2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280081402 1260994149 /nfs/dbraw/zinc/99/41/49/1260994149.db2.gz RCAWOKOVFISVPU-QKLQHJQFSA-N 1 3 362.518 0.920 20 0 FCADHO COCOCCCN1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280088757 1260994717 /nfs/dbraw/zinc/99/47/17/1260994717.db2.gz IMQROMNXAIAQDI-MRXNPFEDSA-N 1 3 365.478 0.716 20 0 FCADHO CN(C)CCC[N@@H+]1CCCC2(CN(C(=O)C3=CNN4C=CNC=C34)C2)C1 ZINC001280221295 1261038618 /nfs/dbraw/zinc/03/86/18/1261038618.db2.gz SEJQWUSTPZPFBD-UHFFFAOYSA-N 1 3 358.490 0.482 20 0 FCADHO CN(C)CCC[N@H+]1CCCC2(CN(C(=O)C3=CNN4C=CNC=C34)C2)C1 ZINC001280221295 1261038621 /nfs/dbraw/zinc/03/86/21/1261038621.db2.gz SEJQWUSTPZPFBD-UHFFFAOYSA-N 1 3 358.490 0.482 20 0 FCADHO CC[NH+]1CCC(CN2C[C@@H]3C(C(=O)NCc4c[nH]cn4)=NO[C@@H]3C2)CC1 ZINC001280250849 1261042085 /nfs/dbraw/zinc/04/20/85/1261042085.db2.gz RUZLWMYHCPEWDI-JKSUJKDBSA-N 1 3 360.462 0.444 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C2=NO[C@@H]3CN(CCC4CC4)C[C@H]23)cn1 ZINC001280274694 1261045172 /nfs/dbraw/zinc/04/51/72/1261045172.db2.gz VWKZTANBXATDGL-JKSUJKDBSA-N 1 3 360.462 0.870 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC1 ZINC001282303519 1261409711 /nfs/dbraw/zinc/40/97/11/1261409711.db2.gz CWNKVHCGXHTGLX-CABCVRRESA-N 1 3 359.474 0.601 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580324156 1278125440 /nfs/dbraw/zinc/12/54/40/1278125440.db2.gz CTAOKYCWUWJKMY-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580324156 1278125441 /nfs/dbraw/zinc/12/54/41/1278125441.db2.gz CTAOKYCWUWJKMY-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC001312013342 1263270918 /nfs/dbraw/zinc/27/09/18/1263270918.db2.gz RCVRURQXNJWFBA-QZTJIDSGSA-N 1 3 368.522 0.776 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001479672597 1263336112 /nfs/dbraw/zinc/33/61/12/1263336112.db2.gz MALAIAUUYPQOLN-SJORKVTESA-N 1 3 365.522 0.524 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001479672597 1263336127 /nfs/dbraw/zinc/33/61/27/1263336127.db2.gz MALAIAUUYPQOLN-SJORKVTESA-N 1 3 365.522 0.524 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CCCN3C(=O)CCC3=O)CC2)CC1 ZINC001318074295 1263543415 /nfs/dbraw/zinc/54/34/15/1263543415.db2.gz VMNOBSYBALIQMD-UHFFFAOYSA-N 1 3 364.490 0.590 20 0 FCADHO Cc1csc(=O)n1CCNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499230594 1264016052 /nfs/dbraw/zinc/01/60/52/1264016052.db2.gz ADIXZNJXCOHUMH-ZIAGYGMSSA-N 1 3 352.504 0.797 20 0 FCADHO Cc1csc(=O)n1CCNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001499230594 1264016063 /nfs/dbraw/zinc/01/60/63/1264016063.db2.gz ADIXZNJXCOHUMH-ZIAGYGMSSA-N 1 3 352.504 0.797 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC001325307008 1264843332 /nfs/dbraw/zinc/84/33/32/1264843332.db2.gz JANALRYNZVBLMT-MSOLQXFVSA-N 1 3 360.502 0.686 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001326592680 1265138071 /nfs/dbraw/zinc/13/80/71/1265138071.db2.gz RESOMRAAYLZRTP-ULQDDVLXSA-N 1 3 368.522 0.545 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001514093408 1265323772 /nfs/dbraw/zinc/32/37/72/1265323772.db2.gz KGTSLKJAFNVDQW-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CCCC1 ZINC001333886076 1266739454 /nfs/dbraw/zinc/73/94/54/1266739454.db2.gz YQVDTEGZCASLOV-QGZVFWFLSA-N 1 3 358.486 0.808 20 0 FCADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]([NH3+])[C@@H](n4ccnn4)C3)C2)cc1 ZINC001549756506 1267990651 /nfs/dbraw/zinc/99/06/51/1267990651.db2.gz SZYAJTMONUYUAI-KSZLIROESA-N 1 3 369.473 0.755 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001550199469 1268090880 /nfs/dbraw/zinc/09/08/80/1268090880.db2.gz BNRZENUSIZUTKT-IRXDYDNUSA-N 1 3 362.518 0.955 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1CN3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476622 1268125101 /nfs/dbraw/zinc/12/51/01/1268125101.db2.gz ALGLFBORZGCHRT-KYJUOOMLSA-N 1 3 351.491 0.446 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1CN3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476622 1268125107 /nfs/dbraw/zinc/12/51/07/1268125107.db2.gz ALGLFBORZGCHRT-KYJUOOMLSA-N 1 3 351.491 0.446 20 0 FCADHO Cc1ccc2nc(CN[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)cc(=O)n2c1 ZINC001550911613 1268183992 /nfs/dbraw/zinc/18/39/92/1268183992.db2.gz DXIDOIOPPXVKKD-OXQOHEQNSA-N 1 3 369.469 0.739 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC001550914366 1268184557 /nfs/dbraw/zinc/18/45/57/1268184557.db2.gz UEBVHBNHBSNUMM-WMLDXEAASA-N 1 3 350.488 0.601 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)N(C)C1 ZINC001550980912 1268189897 /nfs/dbraw/zinc/18/98/97/1268189897.db2.gz SKYUHVKHZZRSFE-GVDBMIGSSA-N 1 3 354.495 0.600 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)N(C)C1 ZINC001550980912 1268189900 /nfs/dbraw/zinc/18/99/00/1268189900.db2.gz SKYUHVKHZZRSFE-GVDBMIGSSA-N 1 3 354.495 0.600 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@H]3C2)CC1 ZINC001551276662 1268221354 /nfs/dbraw/zinc/22/13/54/1268221354.db2.gz HHCSWKYPPZCZNM-VIHIWDAPSA-N 1 3 366.506 0.480 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@H+]3C[C@@H](O)C[C@H]3C2)CC1 ZINC001551276662 1268221361 /nfs/dbraw/zinc/22/13/61/1268221361.db2.gz HHCSWKYPPZCZNM-VIHIWDAPSA-N 1 3 366.506 0.480 20 0 FCADHO CCN1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597792 1268282738 /nfs/dbraw/zinc/28/27/38/1268282738.db2.gz XBWNETZNUAFWBW-DOTOQJQBSA-N 1 3 351.495 0.370 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001339767752 1268323988 /nfs/dbraw/zinc/32/39/88/1268323988.db2.gz JHYAHTDGGHPRGE-HNNXBMFYSA-N 1 3 353.463 0.146 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001552127633 1268386508 /nfs/dbraw/zinc/38/65/08/1268386508.db2.gz VZMQCVXVYBXWFR-RRFJBIMHSA-N 1 3 350.467 0.554 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001552127633 1268386516 /nfs/dbraw/zinc/38/65/16/1268386516.db2.gz VZMQCVXVYBXWFR-RRFJBIMHSA-N 1 3 350.467 0.554 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168815 1268401255 /nfs/dbraw/zinc/40/12/55/1268401255.db2.gz WGOLUOLSSGLMAO-HOTGVXAUSA-N 1 3 361.494 0.053 20 0 FCADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199598 1268407436 /nfs/dbraw/zinc/40/74/36/1268407436.db2.gz AVDYRPQFUKNLGH-YLJYHZDGSA-N 1 3 359.470 0.496 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202140 1268408410 /nfs/dbraw/zinc/40/84/10/1268408410.db2.gz AXPHBGPZOLLMDQ-TZIWHRDSSA-N 1 3 372.513 0.676 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202897 1268409508 /nfs/dbraw/zinc/40/95/08/1268409508.db2.gz SKVBZHKWFLWQAL-YLJYHZDGSA-N 1 3 358.486 0.999 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234463 1268417854 /nfs/dbraw/zinc/41/78/54/1268417854.db2.gz BYBLWKYXHFLYBM-WBVHZDCISA-N 1 3 369.473 0.970 20 0 FCADHO [NH3+]C[C@@H](O)CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001340111648 1268438508 /nfs/dbraw/zinc/43/85/08/1268438508.db2.gz GPPIFVFVOKUGPN-SJORKVTESA-N 1 3 361.490 0.152 20 0 FCADHO [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001340111645 1268439045 /nfs/dbraw/zinc/43/90/45/1268439045.db2.gz GPPIFVFVOKUGPN-DLBZAZTESA-N 1 3 361.490 0.152 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)CC1 ZINC001552436114 1268463362 /nfs/dbraw/zinc/46/33/62/1268463362.db2.gz ZZERCMUXBGQWRC-JKSUJKDBSA-N 1 3 360.506 0.727 20 0 FCADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cnc([C@@H]2CCCN2)nc1 ZINC001553358673 1268637940 /nfs/dbraw/zinc/63/79/40/1268637940.db2.gz ZQFWAXXDTYTLTK-HNNXBMFYSA-N 1 3 353.430 0.958 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553413809 1268646913 /nfs/dbraw/zinc/64/69/13/1268646913.db2.gz YLOADXSCTZFJKQ-INIZCTEOSA-N 1 3 354.495 0.651 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553413812 1268647311 /nfs/dbraw/zinc/64/73/11/1268647311.db2.gz YLOADXSCTZFJKQ-MRXNPFEDSA-N 1 3 354.495 0.651 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)CC2)nc1 ZINC001553425810 1268649148 /nfs/dbraw/zinc/64/91/48/1268649148.db2.gz UMYSGUZVWQUTJH-IKGGRYGDSA-N 1 3 359.474 0.311 20 0 FCADHO CN1CCN(CCNC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)CC1(C)C ZINC001553482677 1268658126 /nfs/dbraw/zinc/65/81/26/1268658126.db2.gz VKCBXNPCIBXWIX-HNNXBMFYSA-N 1 3 353.511 0.162 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21)C1CCC1 ZINC001341065696 1268768366 /nfs/dbraw/zinc/76/83/66/1268768366.db2.gz RYMOQFQUAVLZEJ-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001341240372 1268884074 /nfs/dbraw/zinc/88/40/74/1268884074.db2.gz NQTPSXVZYUFNBR-UHFFFAOYSA-N 1 3 361.538 0.841 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001341625880 1269116765 /nfs/dbraw/zinc/11/67/65/1269116765.db2.gz CLZUNGFHIVMFLP-HXUWFJFHSA-N 1 3 360.502 0.555 20 0 FCADHO CC(C)[NH+]1CCN(CCCN2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC001559906486 1269179397 /nfs/dbraw/zinc/17/93/97/1269179397.db2.gz TZEQVTCLDNETNC-UHFFFAOYSA-N 1 3 372.579 0.902 20 0 FCADHO CC(C)NC(=O)NCCN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001566048331 1269580691 /nfs/dbraw/zinc/58/06/91/1269580691.db2.gz JUWZTVBTDTUKHV-SJORKVTESA-N 1 3 367.538 0.816 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001573006261 1270489808 /nfs/dbraw/zinc/48/98/08/1270489808.db2.gz XAAJHWVHPUCTCD-IKGGRYGDSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001573006261 1270489810 /nfs/dbraw/zinc/48/98/10/1270489810.db2.gz XAAJHWVHPUCTCD-IKGGRYGDSA-N 1 3 366.506 0.031 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574889670 1271652132 /nfs/dbraw/zinc/65/21/32/1271652132.db2.gz XSLAJRZCIOUFAL-CXAGYDPISA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574889670 1271652140 /nfs/dbraw/zinc/65/21/40/1271652140.db2.gz XSLAJRZCIOUFAL-CXAGYDPISA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](C(=O)N1CCCC1)N1CCN(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001575057628 1271701310 /nfs/dbraw/zinc/70/13/10/1271701310.db2.gz SMHIQIWIHRBCFP-VLFFPSDRSA-N 1 3 350.507 0.260 20 0 FCADHO C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2NCc2cn[nH]n2)CC1 ZINC001576751381 1273622152 /nfs/dbraw/zinc/62/21/52/1273622152.db2.gz FUQFTFZWMAUWHV-AEFFLSMTSA-N 1 3 364.494 0.632 20 0 FCADHO C[C@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828552 1273755468 /nfs/dbraw/zinc/75/54/68/1273755468.db2.gz IHNKCSFPNPHLDR-GOEBONIOSA-N 1 3 361.538 0.965 20 0 FCADHO CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@H]1C ZINC001577760599 1274843095 /nfs/dbraw/zinc/84/30/95/1274843095.db2.gz YRHUUTWIPICRNE-QLFBSQMISA-N 1 3 363.510 0.887 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001577992916 1275237372 /nfs/dbraw/zinc/23/73/72/1275237372.db2.gz DPEUNRTULTUAJR-JKSUJKDBSA-N 1 3 362.478 0.577 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001577992916 1275237387 /nfs/dbraw/zinc/23/73/87/1275237387.db2.gz DPEUNRTULTUAJR-JKSUJKDBSA-N 1 3 362.478 0.577 20 0 FCADHO CCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001578331292 1275676803 /nfs/dbraw/zinc/67/68/03/1275676803.db2.gz RKTQEYKJKBYPGJ-GJYPPUQNSA-N 1 3 361.538 0.652 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001578418933 1275787545 /nfs/dbraw/zinc/78/75/45/1275787545.db2.gz QRZIAHWAXXWISM-HNNXBMFYSA-N 1 3 352.504 0.836 20 0 FCADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452114 1275849189 /nfs/dbraw/zinc/84/91/89/1275849189.db2.gz OUDAHGBKJHPKFY-NEPJUHHUSA-N 1 3 350.385 0.279 20 0 FCADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452114 1275849203 /nfs/dbraw/zinc/84/92/03/1275849203.db2.gz OUDAHGBKJHPKFY-NEPJUHHUSA-N 1 3 350.385 0.279 20 0 FCADHO COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)Nc1ccnn1CCN(C)C)C2 ZINC001578842549 1276362255 /nfs/dbraw/zinc/36/22/55/1276362255.db2.gz PAAOHYGMFHDQER-IIYDPXPESA-N 1 3 364.450 0.189 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001578973617 1276520998 /nfs/dbraw/zinc/52/09/98/1276520998.db2.gz VPRPZPYWPQFTEJ-IYBDPMFKSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001578973617 1276521002 /nfs/dbraw/zinc/52/10/02/1276521002.db2.gz VPRPZPYWPQFTEJ-IYBDPMFKSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001578974741 1276522343 /nfs/dbraw/zinc/52/23/43/1276522343.db2.gz RPEIIZOZCBIRQG-AWEZNQCLSA-N 1 3 361.425 0.648 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001578977412 1276532168 /nfs/dbraw/zinc/53/21/68/1276532168.db2.gz OFFCYNSVGHCCLZ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001578977412 1276532172 /nfs/dbraw/zinc/53/21/72/1276532172.db2.gz OFFCYNSVGHCCLZ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001578980138 1276540695 /nfs/dbraw/zinc/54/06/95/1276540695.db2.gz BHFVWRBQNFJCHN-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001578980138 1276540698 /nfs/dbraw/zinc/54/06/98/1276540698.db2.gz BHFVWRBQNFJCHN-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578981197 1276542563 /nfs/dbraw/zinc/54/25/63/1276542563.db2.gz SXYWJFSPBFNCLU-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578981197 1276542564 /nfs/dbraw/zinc/54/25/64/1276542564.db2.gz SXYWJFSPBFNCLU-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578981197 1276542565 /nfs/dbraw/zinc/54/25/65/1276542565.db2.gz SXYWJFSPBFNCLU-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578981197 1276542567 /nfs/dbraw/zinc/54/25/67/1276542567.db2.gz SXYWJFSPBFNCLU-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578982393 1276545763 /nfs/dbraw/zinc/54/57/63/1276545763.db2.gz NNUQDBUYRQCVRR-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO Cn1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1-c1nnn[n-]1 ZINC001578991915 1276565067 /nfs/dbraw/zinc/56/50/67/1276565067.db2.gz HFEORGYQAASASE-CHWSQXEVSA-N 1 3 360.466 0.017 20 0 FCADHO Cn1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1-c1nn[n-]n1 ZINC001578991915 1276565069 /nfs/dbraw/zinc/56/50/69/1276565069.db2.gz HFEORGYQAASASE-CHWSQXEVSA-N 1 3 360.466 0.017 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037168 1276621181 /nfs/dbraw/zinc/62/11/81/1276621181.db2.gz IRELVHVIISYJGC-ARFHVFGLSA-N 1 3 354.495 0.047 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037168 1276621184 /nfs/dbraw/zinc/62/11/84/1276621184.db2.gz IRELVHVIISYJGC-ARFHVFGLSA-N 1 3 354.495 0.047 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331357 1277160053 /nfs/dbraw/zinc/16/00/53/1277160053.db2.gz AUXZVINJRJZYOI-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331357 1277160054 /nfs/dbraw/zinc/16/00/54/1277160054.db2.gz AUXZVINJRJZYOI-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579332303 1277165964 /nfs/dbraw/zinc/16/59/64/1277165964.db2.gz JLNGUORAAYUXPX-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579332303 1277165965 /nfs/dbraw/zinc/16/59/65/1277165965.db2.gz JLNGUORAAYUXPX-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579332303 1277165966 /nfs/dbraw/zinc/16/59/66/1277165966.db2.gz JLNGUORAAYUXPX-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579332303 1277165967 /nfs/dbraw/zinc/16/59/67/1277165967.db2.gz JLNGUORAAYUXPX-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO CS[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1N1CCCC1 ZINC001579370487 1277253358 /nfs/dbraw/zinc/25/33/58/1277253358.db2.gz QXLPOTBQFIZYJN-HUUCEWRRSA-N 1 3 352.508 0.669 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580277025 1278071513 /nfs/dbraw/zinc/07/15/13/1278071513.db2.gz QVBBAVPGSHKHOV-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580277025 1278071522 /nfs/dbraw/zinc/07/15/22/1278071522.db2.gz QVBBAVPGSHKHOV-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580277025 1278071530 /nfs/dbraw/zinc/07/15/30/1278071530.db2.gz QVBBAVPGSHKHOV-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580277025 1278071537 /nfs/dbraw/zinc/07/15/37/1278071537.db2.gz QVBBAVPGSHKHOV-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@@H](O)CC2(O)CCCCC2)C1 ZINC001580857874 1279052971 /nfs/dbraw/zinc/05/29/71/1279052971.db2.gz ADONYCHRAWAMCS-QXSJWSMHSA-N 1 3 353.463 0.300 20 0 FCADHO Cc1cc(NCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024975 1279256702 /nfs/dbraw/zinc/25/67/02/1279256702.db2.gz LXJKHKPWQHUOAW-WBMJQRKESA-N 1 3 374.493 0.885 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028390 1279265118 /nfs/dbraw/zinc/26/51/18/1279265118.db2.gz UINDWDXWHSFNEW-LBPRGKRZSA-N 1 3 358.450 0.204 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028390 1279265120 /nfs/dbraw/zinc/26/51/20/1279265120.db2.gz UINDWDXWHSFNEW-LBPRGKRZSA-N 1 3 358.450 0.204 20 0 FCADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956968 1283146588 /nfs/dbraw/zinc/14/65/88/1283146588.db2.gz FBVSJYWQMSTBKJ-CZUORRHYSA-N 1 3 358.446 0.846 20 0 FCADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956968 1283146594 /nfs/dbraw/zinc/14/65/94/1283146594.db2.gz FBVSJYWQMSTBKJ-CZUORRHYSA-N 1 3 358.446 0.846 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175329 1284262494 /nfs/dbraw/zinc/26/24/94/1284262494.db2.gz LOOKPUWGVVKOMV-FOSCPCJNSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175329 1284262503 /nfs/dbraw/zinc/26/25/03/1284262503.db2.gz LOOKPUWGVVKOMV-FOSCPCJNSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001591176865 1284268566 /nfs/dbraw/zinc/26/85/66/1284268566.db2.gz WHZZSFWMKFEUJB-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001591176865 1284268576 /nfs/dbraw/zinc/26/85/76/1284268576.db2.gz WHZZSFWMKFEUJB-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001591176865 1284268583 /nfs/dbraw/zinc/26/85/83/1284268583.db2.gz WHZZSFWMKFEUJB-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001591176865 1284268589 /nfs/dbraw/zinc/26/85/89/1284268589.db2.gz WHZZSFWMKFEUJB-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH2+]CCC1CC[NH+](C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001591218243 1284353876 /nfs/dbraw/zinc/35/38/76/1284353876.db2.gz MTUUDXOPNJPVHP-OAHLLOKOSA-N 1 3 360.462 0.928 20 0 FCADHO C[NH2+]CCC1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001591218243 1284353886 /nfs/dbraw/zinc/35/38/86/1284353886.db2.gz MTUUDXOPNJPVHP-OAHLLOKOSA-N 1 3 360.462 0.928 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC[NH2+]1 ZINC001593037390 1285923144 /nfs/dbraw/zinc/92/31/44/1285923144.db2.gz DIQCOOXLQZKURD-RHSMWYFYSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC[NH2+]1 ZINC001593037390 1285923148 /nfs/dbraw/zinc/92/31/48/1285923148.db2.gz DIQCOOXLQZKURD-RHSMWYFYSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037390 1285923150 /nfs/dbraw/zinc/92/31/50/1285923150.db2.gz DIQCOOXLQZKURD-RHSMWYFYSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037390 1285923154 /nfs/dbraw/zinc/92/31/54/1285923154.db2.gz DIQCOOXLQZKURD-RHSMWYFYSA-N 1 3 369.473 0.947 20 0 FCADHO O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001607096081 1288659728 /nfs/dbraw/zinc/65/97/28/1288659728.db2.gz AANRYCPENLNRHE-IRXDYDNUSA-N 1 3 372.473 0.928 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN2CCN(CCC[C@@H](C)O)CC2)CC[N@@H+]1C ZINC001691933777 1289344322 /nfs/dbraw/zinc/34/43/22/1289344322.db2.gz QZOUAXOIQILFDW-CEXWTWQISA-N 1 3 368.566 0.954 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN2CCN(CCC[C@@H](C)O)CC2)CC[N@H+]1C ZINC001691933777 1289344336 /nfs/dbraw/zinc/34/43/36/1289344336.db2.gz QZOUAXOIQILFDW-CEXWTWQISA-N 1 3 368.566 0.954 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692052781 1289376522 /nfs/dbraw/zinc/37/65/22/1289376522.db2.gz JQRLLHXHIOFYCU-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692052782 1289376882 /nfs/dbraw/zinc/37/68/82/1289376882.db2.gz JQRLLHXHIOFYCU-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)N2CCC2)C1 ZINC001692097356 1289399041 /nfs/dbraw/zinc/39/90/41/1289399041.db2.gz JIXUUPOHNBTKTD-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CNCC(=O)N2CCC2)C1 ZINC001692097356 1289399047 /nfs/dbraw/zinc/39/90/47/1289399047.db2.gz JIXUUPOHNBTKTD-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO COCC[N@H+](C)CCn1c(C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001698026993 1289521579 /nfs/dbraw/zinc/52/15/79/1289521579.db2.gz JRYAUJOXKKNTIF-QGZVFWFLSA-N 1 3 366.510 0.323 20 0 FCADHO COCC[N@@H+](C)CCn1c(C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001698026993 1289521582 /nfs/dbraw/zinc/52/15/82/1289521582.db2.gz JRYAUJOXKKNTIF-QGZVFWFLSA-N 1 3 366.510 0.323 20 0 FCADHO Cc1nnc(NC(=O)CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001699101371 1289546483 /nfs/dbraw/zinc/54/64/83/1289546483.db2.gz CGCSQUNMFORIPD-NQBHXWOUSA-N 1 3 368.507 0.610 20 0 FCADHO Cc1nnc(NC(=O)CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001699101371 1289546486 /nfs/dbraw/zinc/54/64/86/1289546486.db2.gz CGCSQUNMFORIPD-NQBHXWOUSA-N 1 3 368.507 0.610 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309250 1289549638 /nfs/dbraw/zinc/54/96/38/1289549638.db2.gz XJOQUNAVFOCFAS-ITVKQWQRSA-N 1 3 370.497 0.872 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309250 1289549642 /nfs/dbraw/zinc/54/96/42/1289549642.db2.gz XJOQUNAVFOCFAS-ITVKQWQRSA-N 1 3 370.497 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001699403877 1289552186 /nfs/dbraw/zinc/55/21/86/1289552186.db2.gz QPAYGCKZINGKFS-CWRNSKLLSA-N 1 3 354.495 0.106 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001699403877 1289552195 /nfs/dbraw/zinc/55/21/95/1289552195.db2.gz QPAYGCKZINGKFS-CWRNSKLLSA-N 1 3 354.495 0.106 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001757364081 1290761208 /nfs/dbraw/zinc/76/12/08/1290761208.db2.gz ZTYZHFSDWFAEGD-JKSUJKDBSA-N 1 3 350.507 0.825 20 0 FCADHO COC[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001656585589 1291550391 /nfs/dbraw/zinc/55/03/91/1291550391.db2.gz QDMKTYSYZYJIMQ-FGTMMUONSA-N 1 3 355.523 0.942 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001656843484 1291568099 /nfs/dbraw/zinc/56/80/99/1291568099.db2.gz UBAUBDBCQZXSMJ-BBWFWOEESA-N 1 3 352.523 0.975 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001656843484 1291568103 /nfs/dbraw/zinc/56/81/03/1291568103.db2.gz UBAUBDBCQZXSMJ-BBWFWOEESA-N 1 3 352.523 0.975 20 0 FCADHO CN1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001686784171 1292957190 /nfs/dbraw/zinc/95/71/90/1292957190.db2.gz IFXWQBGLOUGAIE-UHFFFAOYSA-N 1 3 353.511 0.130 20 0 FCADHO CN(CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)CC(C)(C)C ZINC001689033865 1294578601 /nfs/dbraw/zinc/57/86/01/1294578601.db2.gz BFAJQGRSWKCKRL-JKSUJKDBSA-N 1 3 351.495 0.274 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C ZINC001689083857 1294601618 /nfs/dbraw/zinc/60/16/18/1294601618.db2.gz QODSWSLEDQDDCV-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCCc1ccsc1 ZINC001690576592 1294872579 /nfs/dbraw/zinc/87/25/79/1294872579.db2.gz DSWHSJJECDMTIM-SQWLQELKSA-N 1 3 366.531 0.841 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCCc1ccsc1 ZINC001690576592 1294872586 /nfs/dbraw/zinc/87/25/86/1294872586.db2.gz DSWHSJJECDMTIM-SQWLQELKSA-N 1 3 366.531 0.841 20 0 FCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001691837715 1294935161 /nfs/dbraw/zinc/93/51/61/1294935161.db2.gz NFXAWIPCPMHNQI-IPYPFGDCSA-N 1 3 367.494 0.128 20 0 FCADHO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4CNC5)C3)O2)CC1 ZINC001164889757 721399374 /nfs/dbraw/zinc/39/93/74/721399374.db2.gz MEBMAWRTCCNQLB-UZLBHIALSA-N 1 3 372.517 0.845 20 0 FCADHO CN1CCN(Cc2cn3c(n2)CN(c2ncc4c(n2)C[NH2+]C4)CC3)CC1 ZINC001164794496 721513061 /nfs/dbraw/zinc/51/30/61/721513061.db2.gz RKJQAXJVWQVWJD-UHFFFAOYSA-N 1 3 354.462 0.044 20 0 FCADHO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc4c(n2)CNC4)CC3)CC1 ZINC001164794496 721513064 /nfs/dbraw/zinc/51/30/64/721513064.db2.gz RKJQAXJVWQVWJD-UHFFFAOYSA-N 1 3 354.462 0.044 20 0 FCADHO C[NH+](C)CCOCc1ncn2c1CN(c1ncc3c(n1)CCNC3)CCC2 ZINC001165000863 722251299 /nfs/dbraw/zinc/25/12/99/722251299.db2.gz VPDUYUBTLCOENI-UHFFFAOYSA-N 1 3 371.489 0.807 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187772 836066614 /nfs/dbraw/zinc/06/66/14/836066614.db2.gz YPPKBXRXFMZENY-WBVHZDCISA-N 1 3 352.504 0.637 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284873 844134850 /nfs/dbraw/zinc/13/48/50/844134850.db2.gz CUPMMMWSOYCTKK-VCBZYWHSSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284873 844134858 /nfs/dbraw/zinc/13/48/58/844134858.db2.gz CUPMMMWSOYCTKK-VCBZYWHSSA-N 1 3 350.507 0.728 20 0 FCADHO COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368660 844162884 /nfs/dbraw/zinc/16/28/84/844162884.db2.gz GNCBNSJXOCBQSF-MDZRGWNJSA-N 1 3 355.523 0.752 20 0 FCADHO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368660 844162889 /nfs/dbraw/zinc/16/28/89/844162889.db2.gz GNCBNSJXOCBQSF-MDZRGWNJSA-N 1 3 355.523 0.752 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101400373 844174591 /nfs/dbraw/zinc/17/45/91/844174591.db2.gz TWYUXVQWXMYSEY-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101400373 844174594 /nfs/dbraw/zinc/17/45/94/844174594.db2.gz TWYUXVQWXMYSEY-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002938 838208327 /nfs/dbraw/zinc/20/83/27/838208327.db2.gz MNLVBHSEVHOXCS-RCCFBDPRSA-N 1 3 351.491 0.306 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975861 844356880 /nfs/dbraw/zinc/35/68/80/844356880.db2.gz DEPWMUJVWYCGOK-DJIMGWMZSA-N 1 3 350.507 0.491 20 0 FCADHO CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001077128943 838753915 /nfs/dbraw/zinc/75/39/15/838753915.db2.gz LPRSHUCSGDEEBE-KZNAEPCWSA-N 1 3 353.507 0.837 20 0 FCADHO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001077128943 838753923 /nfs/dbraw/zinc/75/39/23/838753923.db2.gz LPRSHUCSGDEEBE-KZNAEPCWSA-N 1 3 353.507 0.837 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047647 844394393 /nfs/dbraw/zinc/39/43/93/844394393.db2.gz OHETWIONLVMSMZ-UNEWFSDZSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102330296 844467254 /nfs/dbraw/zinc/46/72/54/844467254.db2.gz NOYNJQWXGXPPCX-IIDMSEBBSA-N 1 3 352.523 0.878 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102366656 844476515 /nfs/dbraw/zinc/47/65/15/844476515.db2.gz MRMVQAWUFLZWCP-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102366656 844476517 /nfs/dbraw/zinc/47/65/17/844476517.db2.gz MRMVQAWUFLZWCP-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369825 844477700 /nfs/dbraw/zinc/47/77/00/844477700.db2.gz IARQTRRAZCYLGM-GVDBMIGSSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369825 844477706 /nfs/dbraw/zinc/47/77/06/844477706.db2.gz IARQTRRAZCYLGM-GVDBMIGSSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375521 844480538 /nfs/dbraw/zinc/48/05/38/844480538.db2.gz OBHXZFIXQSZYRG-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375521 844480541 /nfs/dbraw/zinc/48/05/41/844480541.db2.gz OBHXZFIXQSZYRG-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)N1CCCCCC1 ZINC001102430532 844497289 /nfs/dbraw/zinc/49/72/89/844497289.db2.gz VMWYBTVOFKSYNH-FGTMMUONSA-N 1 3 355.523 0.944 20 0 FCADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)N1CCCCCC1 ZINC001102430532 844497294 /nfs/dbraw/zinc/49/72/94/844497294.db2.gz VMWYBTVOFKSYNH-FGTMMUONSA-N 1 3 355.523 0.944 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433732 844497645 /nfs/dbraw/zinc/49/76/45/844497645.db2.gz DMHWUKXAYSVSIT-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)C1 ZINC001082328798 840314016 /nfs/dbraw/zinc/31/40/16/840314016.db2.gz LZQDEEOEHYKCMJ-BHUNQDJPSA-N 1 3 351.491 0.713 20 0 FCADHO CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368863 840356240 /nfs/dbraw/zinc/35/62/40/840356240.db2.gz PKAKDTREGQZJBP-RCCFBDPRSA-N 1 3 353.507 0.960 20 0 FCADHO CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368863 840356249 /nfs/dbraw/zinc/35/62/49/840356249.db2.gz PKAKDTREGQZJBP-RCCFBDPRSA-N 1 3 353.507 0.960 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082558371 840464900 /nfs/dbraw/zinc/46/49/00/840464900.db2.gz MXHIZNXUQWROET-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082558371 840464902 /nfs/dbraw/zinc/46/49/02/840464902.db2.gz MXHIZNXUQWROET-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1=O ZINC001082557578 840465002 /nfs/dbraw/zinc/46/50/02/840465002.db2.gz QARTVQCPNRPJGZ-BZUAXINKSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082743991 840544572 /nfs/dbraw/zinc/54/45/72/840544572.db2.gz MUQCPNPAKDKLEZ-HUUCEWRRSA-N 1 3 351.495 0.180 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102525742 844553685 /nfs/dbraw/zinc/55/36/85/844553685.db2.gz SNRGWDBQRPYUBZ-HUUCEWRRSA-N 1 3 352.479 0.161 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102525742 844553691 /nfs/dbraw/zinc/55/36/91/844553691.db2.gz SNRGWDBQRPYUBZ-HUUCEWRRSA-N 1 3 352.479 0.161 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082941641 840615631 /nfs/dbraw/zinc/61/56/31/840615631.db2.gz DFDSHVYVGFSTOI-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083749590 841391715 /nfs/dbraw/zinc/39/17/15/841391715.db2.gz HPMHYTUBHQFIBV-KURKYZTESA-N 1 3 353.507 0.431 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196899 /nfs/dbraw/zinc/19/68/99/861196899.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 1 3 352.523 0.319 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196908 /nfs/dbraw/zinc/19/69/08/861196908.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 1 3 352.523 0.319 20 0 FCADHO C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196915 /nfs/dbraw/zinc/19/69/15/861196915.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 1 3 352.523 0.319 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC001083833480 841478304 /nfs/dbraw/zinc/47/83/04/841478304.db2.gz DILXFIFGBPIOLU-HIEASXQVSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@H](C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1)N(C)C ZINC001276048671 861304306 /nfs/dbraw/zinc/30/43/06/861304306.db2.gz GJPYSLBVPYQPGC-JKSUJKDBSA-N 1 3 350.507 0.632 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCN1CCCC1=O ZINC001087712386 842412985 /nfs/dbraw/zinc/41/29/85/842412985.db2.gz GIYLGNYOEGCHCJ-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO COCCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942074 842776471 /nfs/dbraw/zinc/77/64/71/842776471.db2.gz POXGTWMEKCGANG-BRWVUGGUSA-N 1 3 353.507 0.960 20 0 FCADHO COCCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC2(CCOCC2)C1 ZINC001089942074 842776478 /nfs/dbraw/zinc/77/64/78/842776478.db2.gz POXGTWMEKCGANG-BRWVUGGUSA-N 1 3 353.507 0.960 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001092022279 843143185 /nfs/dbraw/zinc/14/31/85/843143185.db2.gz RBSAKLXGSMRUKB-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001092022279 843143193 /nfs/dbraw/zinc/14/31/93/843143193.db2.gz RBSAKLXGSMRUKB-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094043988 843507581 /nfs/dbraw/zinc/50/75/81/843507581.db2.gz HCTXTHXCYKVTGK-OAGGEKHMSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094131136 843519180 /nfs/dbraw/zinc/51/91/80/843519180.db2.gz POXFHWDENSKEAG-BRWVUGGUSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CNCc1cnns1 ZINC001094136926 843521883 /nfs/dbraw/zinc/52/18/83/843521883.db2.gz CYJJTVDEYLUJMW-ZIAGYGMSSA-N 1 3 367.519 0.833 20 0 FCADHO COCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276357702 861429454 /nfs/dbraw/zinc/42/94/54/861429454.db2.gz PRHLWRCGOYVFRB-QGZVFWFLSA-N 1 3 352.523 0.489 20 0 FCADHO O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(C[C@H]1CCS(=O)(=O)C1)C2 ZINC001099162645 843966901 /nfs/dbraw/zinc/96/69/01/843966901.db2.gz OBYWCELNMNMULM-RYRKJORJSA-N 1 3 369.531 0.488 20 0 FCADHO O=C(CN1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001099162645 843966905 /nfs/dbraw/zinc/96/69/05/843966905.db2.gz OBYWCELNMNMULM-RYRKJORJSA-N 1 3 369.531 0.488 20 0 FCADHO O=C(CN1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001099162645 843966909 /nfs/dbraw/zinc/96/69/09/843966909.db2.gz OBYWCELNMNMULM-RYRKJORJSA-N 1 3 369.531 0.488 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780862 844646279 /nfs/dbraw/zinc/64/62/79/844646279.db2.gz RQMRQEHPROMGIY-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780862 844646281 /nfs/dbraw/zinc/64/62/81/844646281.db2.gz RQMRQEHPROMGIY-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598537 844785993 /nfs/dbraw/zinc/78/59/93/844785993.db2.gz QODOGRFRTQAXBT-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CN(C)CCC[NH+]1CCC2(C[C@H]2C(=O)NCCN2CCOCC2)CC1 ZINC001276611499 861498601 /nfs/dbraw/zinc/49/86/01/861498601.db2.gz VQEDUVSYNKYODY-KRWDZBQOSA-N 1 3 352.523 0.489 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718753 844807782 /nfs/dbraw/zinc/80/77/82/844807782.db2.gz DDTBEBMOMXTMBF-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718753 844807785 /nfs/dbraw/zinc/80/77/85/844807785.db2.gz DDTBEBMOMXTMBF-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001103999506 844851298 /nfs/dbraw/zinc/85/12/98/844851298.db2.gz ASTIXOICGXRLAI-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104288422 844890345 /nfs/dbraw/zinc/89/03/45/844890345.db2.gz ZTRPMSRCGIRNHU-HUUCEWRRSA-N 1 3 359.536 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104290479 844891078 /nfs/dbraw/zinc/89/10/78/844891078.db2.gz AHWLLLNDSGJEMQ-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001104729184 844935292 /nfs/dbraw/zinc/93/52/92/844935292.db2.gz QATVQGRLUZTKRX-QLFBSQMISA-N 1 3 368.503 0.461 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1)N(C)C ZINC001106282021 845148026 /nfs/dbraw/zinc/14/80/26/845148026.db2.gz PQBWBDRWGZENPS-OIISXLGYSA-N 1 3 352.523 0.783 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1C ZINC001106598064 845202688 /nfs/dbraw/zinc/20/26/88/845202688.db2.gz WODXYTXAIBMIIA-HUUCEWRRSA-N 1 3 350.511 0.903 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001106673369 845221455 /nfs/dbraw/zinc/22/14/55/845221455.db2.gz WRPFBPFGDKKSGD-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106674101 845223406 /nfs/dbraw/zinc/22/34/06/845223406.db2.gz RRMKIEQSMXNWKY-OAGGEKHMSA-N 1 3 356.511 0.163 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106779342 845250662 /nfs/dbraw/zinc/25/06/62/845250662.db2.gz JZQKBBLFIZWQFZ-HZPDHXFCSA-N 1 3 356.511 0.165 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(CCC(=O)OC(C)(C)C)C2)OCC1=O ZINC001276708260 861549436 /nfs/dbraw/zinc/54/94/36/861549436.db2.gz JJXULPXDZMFKLN-GOSISDBHSA-N 1 3 355.479 0.583 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001106906042 845285062 /nfs/dbraw/zinc/28/50/62/845285062.db2.gz SXMYOCAOMKBDDA-CHWSQXEVSA-N 1 3 366.428 0.691 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001107036651 845316048 /nfs/dbraw/zinc/31/60/48/845316048.db2.gz OLAOMHWUGRQJQM-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862195 845985824 /nfs/dbraw/zinc/98/58/24/845985824.db2.gz BUABRVIPABASQL-VQHPVUNQSA-N 1 3 353.507 0.980 20 0 FCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H](O)C(=O)OC(C)(C)C ZINC001276819086 861629881 /nfs/dbraw/zinc/62/98/81/861629881.db2.gz SXMGSLOWHCYXHA-KFWWJZLASA-N 1 3 355.479 0.316 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001112009691 846294960 /nfs/dbraw/zinc/29/49/60/846294960.db2.gz PFIXEAYWPDCZEA-DEYYWGMASA-N 1 3 350.463 0.103 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001112009691 846294965 /nfs/dbraw/zinc/29/49/65/846294965.db2.gz PFIXEAYWPDCZEA-DEYYWGMASA-N 1 3 350.463 0.103 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001112120089 846398611 /nfs/dbraw/zinc/39/86/11/846398611.db2.gz CGAHMZMXMQGVHH-FDYHWXHSSA-N 1 3 355.401 0.313 20 0 FCADHO COC[C@H](C)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194216 846452921 /nfs/dbraw/zinc/45/29/21/846452921.db2.gz SMFCNLLXUAUXBB-YNEHKIRRSA-N 1 3 355.401 0.578 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112198532 846456973 /nfs/dbraw/zinc/45/69/73/846456973.db2.gz ZWWQLJOWECPUPX-CHWSQXEVSA-N 1 3 362.400 0.599 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112436829 846503913 /nfs/dbraw/zinc/50/39/13/846503913.db2.gz IQJLXJFEIDYTQU-LPHOPBHVSA-N 1 3 355.523 0.944 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112529611 846516532 /nfs/dbraw/zinc/51/65/32/846516532.db2.gz HUWMLFAKIBJIIX-AOIWGVFYSA-N 1 3 353.507 0.698 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112548727 846521499 /nfs/dbraw/zinc/52/14/99/846521499.db2.gz OFQRBLSWTHSSNN-LPHOPBHVSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276960009 861707387 /nfs/dbraw/zinc/70/73/87/861707387.db2.gz NDHJBCLKEQFJAR-SJORKVTESA-N 1 3 352.523 0.223 20 0 FCADHO COC(=O)c1ccc(OC[C@H](O)C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC001120496895 848221212 /nfs/dbraw/zinc/22/12/12/848221212.db2.gz MXAXILSYJUQBEE-OAHLLOKOSA-N 1 3 352.431 0.259 20 0 FCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556239 848241139 /nfs/dbraw/zinc/24/11/39/848241139.db2.gz RWYZUNZGEDLKSB-HOTGVXAUSA-N 1 3 352.479 0.404 20 0 FCADHO COCCN1CCC(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001120582607 848248395 /nfs/dbraw/zinc/24/83/95/848248395.db2.gz JOZHPOHXDMXHRA-MRXNPFEDSA-N 1 3 354.495 0.555 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362145 848498812 /nfs/dbraw/zinc/49/88/12/848498812.db2.gz OHJKHEDUSMVQCH-HZPDHXFCSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659805 848731507 /nfs/dbraw/zinc/73/15/07/848731507.db2.gz LUPIRAAZQSZMMI-GZBFAFLISA-N 1 3 352.504 0.799 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659805 848731514 /nfs/dbraw/zinc/73/15/14/848731514.db2.gz LUPIRAAZQSZMMI-GZBFAFLISA-N 1 3 352.504 0.799 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@@H](C)c2ccco2)CC[N@@H+]1C ZINC001127701050 848732722 /nfs/dbraw/zinc/73/27/22/848732722.db2.gz GDMUGKGPLYZJPD-SOUVJXGZSA-N 1 3 350.463 0.893 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@@H](C)c2ccco2)CC[N@H+]1C ZINC001127701050 848732730 /nfs/dbraw/zinc/73/27/30/848732730.db2.gz GDMUGKGPLYZJPD-SOUVJXGZSA-N 1 3 350.463 0.893 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894897 848910168 /nfs/dbraw/zinc/91/01/68/848910168.db2.gz WYISDFKIRHUSNC-CABCVRRESA-N 1 3 350.467 0.140 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011978 848930700 /nfs/dbraw/zinc/93/07/00/848930700.db2.gz HKRUPNFJLYQYTP-CABCVRRESA-N 1 3 352.483 0.244 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123369 848947478 /nfs/dbraw/zinc/94/74/78/848947478.db2.gz OVYVSAMBVMIRSX-UPJWGTAASA-N 1 3 360.384 0.524 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123369 848947485 /nfs/dbraw/zinc/94/74/85/848947485.db2.gz OVYVSAMBVMIRSX-UPJWGTAASA-N 1 3 360.384 0.524 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[n-]1 ZINC001130237994 848983132 /nfs/dbraw/zinc/98/31/32/848983132.db2.gz NOZZUCVOUJJJIF-IHRRRGAJSA-N 1 3 352.483 0.633 20 0 FCADHO CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[n-]1 ZINC001130242122 848984430 /nfs/dbraw/zinc/98/44/30/848984430.db2.gz HBEDSGJLVQIZJT-KBPBESRZSA-N 1 3 352.483 0.633 20 0 FCADHO CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001130291169 848996887 /nfs/dbraw/zinc/99/68/87/848996887.db2.gz ZURFZQFFMZLJTB-APWZRJJASA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1)N(C)C ZINC001130674695 849026448 /nfs/dbraw/zinc/02/64/48/849026448.db2.gz AUPJNBUKPBVTGM-UAGQMJEPSA-N 1 3 351.495 0.681 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737154 849030892 /nfs/dbraw/zinc/03/08/92/849030892.db2.gz VEHSNNNMPXYJHV-HLLBOEOZSA-N 1 3 351.495 0.679 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)N(C)C ZINC001131064439 849075805 /nfs/dbraw/zinc/07/58/05/849075805.db2.gz KTDNGHRECZNLCM-BFYDXBDKSA-N 1 3 351.495 0.273 20 0 FCADHO CN(CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)CC(C)(C)C ZINC001131564709 849123720 /nfs/dbraw/zinc/12/37/20/849123720.db2.gz RJFUGTMEPSFNBB-AEFFLSMTSA-N 1 3 355.523 0.942 20 0 FCADHO CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001277713428 862026281 /nfs/dbraw/zinc/02/62/81/862026281.db2.gz SBXRPIMSBCKVEW-KZNAEPCWSA-N 1 3 352.523 0.460 20 0 FCADHO CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001277713428 862026300 /nfs/dbraw/zinc/02/63/00/862026300.db2.gz SBXRPIMSBCKVEW-KZNAEPCWSA-N 1 3 352.523 0.460 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCN2CCNC2=O)CC[N@@H+]1C ZINC001153501121 849749574 /nfs/dbraw/zinc/74/95/74/849749574.db2.gz FPCKZNSLOKKBAE-OWCLPIDISA-N 1 3 353.511 0.569 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCN2CCNC2=O)CC[N@H+]1C ZINC001153501121 849749579 /nfs/dbraw/zinc/74/95/79/849749579.db2.gz FPCKZNSLOKKBAE-OWCLPIDISA-N 1 3 353.511 0.569 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1nc(Cl)nc2c1C[N@H+](C)CC2 ZINC001155083556 849829126 /nfs/dbraw/zinc/82/91/26/849829126.db2.gz KVIMLSPPPWFWLB-UHFFFAOYSA-N 1 3 350.810 0.939 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1nc(Cl)nc2c1C[N@@H+](C)CC2 ZINC001155083556 849829133 /nfs/dbraw/zinc/82/91/33/849829133.db2.gz KVIMLSPPPWFWLB-UHFFFAOYSA-N 1 3 350.810 0.939 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001157336936 849965347 /nfs/dbraw/zinc/96/53/47/849965347.db2.gz QHKTYZFWKZWFBZ-MAUKXSAKSA-N 1 3 350.438 0.372 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157873608 850000739 /nfs/dbraw/zinc/00/07/39/850000739.db2.gz FMWTZYFQEQNFQC-ZDUSSCGKSA-N 1 3 354.886 0.838 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241052 850027538 /nfs/dbraw/zinc/02/75/38/850027538.db2.gz QJGIIQXRBAKSQN-MNOVXSKESA-N 1 3 351.369 0.942 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC(F)F)C2 ZINC001158379932 850041526 /nfs/dbraw/zinc/04/15/26/850041526.db2.gz GNHRMDITLAQXRW-HJIKLVIJSA-N 1 3 373.322 0.513 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN(C)C(C)C)C2 ZINC001158384911 850044381 /nfs/dbraw/zinc/04/43/81/850044381.db2.gz TYJDCHVJKVSJCC-CABCVRRESA-N 1 3 365.396 0.870 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1 ZINC001158495680 850056621 /nfs/dbraw/zinc/05/66/21/850056621.db2.gz CQNZRKLMBJHSAB-PJSNJIKXSA-N 1 3 363.380 0.669 20 0 FCADHO CNS(=O)(=O)c1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1 ZINC001158588892 850061657 /nfs/dbraw/zinc/06/16/57/850061657.db2.gz JETUIJZTXIYUGV-UHFFFAOYSA-N 1 3 367.519 0.642 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159191533 850100094 /nfs/dbraw/zinc/10/00/94/850100094.db2.gz IACAXEKXXFCQPL-ZBFHGGJFSA-N 1 3 367.519 0.287 20 0 FCADHO CCOC(=O)[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCC1=O ZINC001160426536 850172259 /nfs/dbraw/zinc/17/22/59/850172259.db2.gz FLHWWNZXDCQCFT-CABCVRRESA-N 1 3 355.479 0.853 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566720 850182015 /nfs/dbraw/zinc/18/20/15/850182015.db2.gz YMWMQADMFAJBBN-HNNXBMFYSA-N 1 3 362.503 0.226 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161317664 850252443 /nfs/dbraw/zinc/25/24/43/850252443.db2.gz RMYQYABTUGQKRT-UMVBOHGHSA-N 1 3 355.483 0.040 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1csc([C@@H]3CCCN3)n1)CC2 ZINC001161477330 850262454 /nfs/dbraw/zinc/26/24/54/850262454.db2.gz DYYFNKOGJXLNAT-PPHDSNJXSA-N 1 3 364.471 0.935 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@H](N([C@@H]1C[NH2+]C[C@@H]3CCCO[C@H]13)S(C)(=O)=O)C2 ZINC001169129616 850606759 /nfs/dbraw/zinc/60/67/59/850606759.db2.gz KFQPOKUYKFLIJW-NYXISSTPSA-N 1 3 357.520 0.640 20 0 FCADHO C[C@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@H]1CNCCO1 ZINC001170577132 850659482 /nfs/dbraw/zinc/65/94/82/850659482.db2.gz YENMWRATLAKFOE-SUMWQHHRSA-N 1 3 368.503 0.506 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCC(F)(F)F)[C@@H]2C)CC[N@@H+]1C ZINC001178731002 850921321 /nfs/dbraw/zinc/92/13/21/850921321.db2.gz JULOTJJPPNZWQT-XQHKEYJVSA-N 1 3 364.412 0.584 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCC(F)(F)F)[C@@H]2C)CC[N@H+]1C ZINC001178731002 850921329 /nfs/dbraw/zinc/92/13/29/850921329.db2.gz JULOTJJPPNZWQT-XQHKEYJVSA-N 1 3 364.412 0.584 20 0 FCADHO C=C(F)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001180119390 851014406 /nfs/dbraw/zinc/01/44/06/851014406.db2.gz UCKKAZOLOPYRPD-RDUHTLEXSA-N 1 3 361.458 0.765 20 0 FCADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C1(C)CCS(=O)(=O)CC1 ZINC001183631670 851256803 /nfs/dbraw/zinc/25/68/03/851256803.db2.gz BPUYCIWWRJLBBQ-UHFFFAOYSA-N 1 3 361.552 0.933 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001189669613 851814375 /nfs/dbraw/zinc/81/43/75/851814375.db2.gz XVFCJRZIKDQAGA-DLBZAZTESA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001189669613 851814380 /nfs/dbraw/zinc/81/43/80/851814380.db2.gz XVFCJRZIKDQAGA-DLBZAZTESA-N 1 3 354.495 0.014 20 0 FCADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001189851715 851830979 /nfs/dbraw/zinc/83/09/79/851830979.db2.gz NZWUOBRDXQLOFZ-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193728688 852478075 /nfs/dbraw/zinc/47/80/75/852478075.db2.gz RBRSMRULEDBOJV-RCCFBDPRSA-N 1 3 355.523 0.942 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193728688 852478084 /nfs/dbraw/zinc/47/80/84/852478084.db2.gz RBRSMRULEDBOJV-RCCFBDPRSA-N 1 3 355.523 0.942 20 0 FCADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(S(C)(=O)=O)c1 ZINC001194129782 852544156 /nfs/dbraw/zinc/54/41/56/852544156.db2.gz WTWHPDCYAJGMCA-UHFFFAOYSA-N 1 3 370.519 0.831 20 0 FCADHO CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CCC1 ZINC001196206798 852913729 /nfs/dbraw/zinc/91/37/29/852913729.db2.gz HJCYAEMPEUUOBM-BRWVUGGUSA-N 1 3 355.523 0.941 20 0 FCADHO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CCC1 ZINC001196206798 852913738 /nfs/dbraw/zinc/91/37/38/852913738.db2.gz HJCYAEMPEUUOBM-BRWVUGGUSA-N 1 3 355.523 0.941 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC(N)=O)C1 ZINC001205307053 853602922 /nfs/dbraw/zinc/60/29/22/853602922.db2.gz MJQITGUZOXIYGK-JKSUJKDBSA-N 1 3 350.438 0.537 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001208070243 853890435 /nfs/dbraw/zinc/89/04/35/853890435.db2.gz HFHRPWDBOVTCOL-HYVNUMGLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001208070243 853890441 /nfs/dbraw/zinc/89/04/41/853890441.db2.gz HFHRPWDBOVTCOL-HYVNUMGLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092699 853894264 /nfs/dbraw/zinc/89/42/64/853894264.db2.gz VNLMPDKGQCHSOA-IAGOWNOFSA-N 1 3 355.523 0.944 20 0 FCADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114322 853897554 /nfs/dbraw/zinc/89/75/54/853897554.db2.gz OADMOGBBGPOUNA-IXDOHACOSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001214335714 854927178 /nfs/dbraw/zinc/92/71/78/854927178.db2.gz GTHFFBYCSJRPKS-BMFZPTHFSA-N 1 3 364.515 0.895 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214597435 854975865 /nfs/dbraw/zinc/97/58/65/854975865.db2.gz JLOAOLYSXGIYGT-OIISXLGYSA-N 1 3 350.507 0.917 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214597435 854975870 /nfs/dbraw/zinc/97/58/70/854975870.db2.gz JLOAOLYSXGIYGT-OIISXLGYSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214855741 855022922 /nfs/dbraw/zinc/02/29/22/855022922.db2.gz MLCFFUCVNVGHRX-FRFSOERESA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214855932 855023731 /nfs/dbraw/zinc/02/37/31/855023731.db2.gz RWIIEILMXINOCP-QBIMZIAESA-N 1 3 350.507 0.632 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856042 855024264 /nfs/dbraw/zinc/02/42/64/855024264.db2.gz VVHKXNUKJGUHIE-FVQBIDKESA-N 1 3 353.511 0.471 20 0 FCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214863904 855025823 /nfs/dbraw/zinc/02/58/23/855025823.db2.gz ZVAFQWQEYAVLRN-KBAYOESNSA-N 1 3 355.523 0.941 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904957 855030515 /nfs/dbraw/zinc/03/05/15/855030515.db2.gz RQERCIYLUQMYSJ-OAGGEKHMSA-N 1 3 355.527 0.717 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904823 855030661 /nfs/dbraw/zinc/03/06/61/855030661.db2.gz LEFBSAGYOBPPTA-OIISXLGYSA-N 1 3 356.511 0.162 20 0 FCADHO CC(C)CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453504 855117150 /nfs/dbraw/zinc/11/71/50/855117150.db2.gz FMCHZCDYXSDRAF-BFYDXBDKSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215453926 855117357 /nfs/dbraw/zinc/11/73/57/855117357.db2.gz ZDLOXAUQYYJPKI-RHSMWYFYSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215544296 855127036 /nfs/dbraw/zinc/12/70/36/855127036.db2.gz OAWJISNBAJVSKG-ZMSDIMECSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778229 855144533 /nfs/dbraw/zinc/14/45/33/855144533.db2.gz FBLXOPCYFMUPEQ-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001215994023 855162883 /nfs/dbraw/zinc/16/28/83/855162883.db2.gz MNAUIORAFIQRPG-GDBMZVCRSA-N 1 3 350.463 0.674 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001215999070 855164235 /nfs/dbraw/zinc/16/42/35/855164235.db2.gz NSUQZHJJUQDIOY-GDBMZVCRSA-N 1 3 359.536 0.590 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001216503900 855208517 /nfs/dbraw/zinc/20/85/17/855208517.db2.gz YZTDTJVUPKXIRP-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001216846406 855256518 /nfs/dbraw/zinc/25/65/18/855256518.db2.gz CDIUNQMSLBYOSO-KYJSFNMBSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216852378 855260282 /nfs/dbraw/zinc/26/02/82/855260282.db2.gz XBISDGZVRCPZDY-CHWSQXEVSA-N 1 3 366.428 0.784 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001218233810 855409554 /nfs/dbraw/zinc/40/95/54/855409554.db2.gz AILGYYJBLMWFSM-SNVBAGLBSA-N 1 3 350.419 0.282 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H]3CN(C[C@@H]4CCCOC4)C[C@@H]32)CC1 ZINC001218550548 855437524 /nfs/dbraw/zinc/43/75/24/855437524.db2.gz DTCFOHOKAKTFPI-YESZJQIVSA-N 1 3 351.491 0.666 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580703 855721686 /nfs/dbraw/zinc/72/16/86/855721686.db2.gz QRUAXOMXGVUCBH-BFHYXJOUSA-N 1 3 374.279 0.416 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219737259 855792947 /nfs/dbraw/zinc/79/29/47/855792947.db2.gz RLXZFFQYLOEHBJ-CVEARBPZSA-N 1 3 365.499 0.750 20 0 FCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743756 855794942 /nfs/dbraw/zinc/79/49/42/855794942.db2.gz LFFBPQDJFUZWAH-ZIAGYGMSSA-N 1 3 355.479 0.853 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O)[NH+](C)C ZINC001219846993 855843124 /nfs/dbraw/zinc/84/31/24/855843124.db2.gz NUJQVKYMWXWQNB-SQNIBIBYSA-N 1 3 355.523 0.941 20 0 FCADHO O=C(NCC1(N2CCOCC2)CCCCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219938764 855888801 /nfs/dbraw/zinc/88/88/01/855888801.db2.gz CWKLOTWUBYVFKC-VQIMIIECSA-N 1 3 350.507 0.337 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039697 855929332 /nfs/dbraw/zinc/92/93/32/855929332.db2.gz PAHYRRVQDILZKA-IPRSXWBISA-N 1 3 361.508 0.180 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)COC1(C)C ZINC001220064031 855941540 /nfs/dbraw/zinc/94/15/40/855941540.db2.gz NTZIOSKSEYCCDU-ILXRZTDVSA-N 1 3 354.495 0.678 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)COC1(C)C ZINC001220064031 855941546 /nfs/dbraw/zinc/94/15/46/855941546.db2.gz NTZIOSKSEYCCDU-ILXRZTDVSA-N 1 3 354.495 0.678 20 0 FCADHO C[NH2+]CCCCNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC ZINC001220077510 855948744 /nfs/dbraw/zinc/94/87/44/855948744.db2.gz MRGMNRHKXUKXGH-STQMWFEESA-N 1 3 364.581 0.421 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001220234187 856025036 /nfs/dbraw/zinc/02/50/36/856025036.db2.gz XZYWBQVTNRWCPT-OLZOCXBDSA-N 1 3 355.401 0.459 20 0 FCADHO N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220281881 856043072 /nfs/dbraw/zinc/04/30/72/856043072.db2.gz CRVQQIDITGGTCG-RYUDHWBXSA-N 1 3 359.211 0.639 20 0 FCADHO CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369918 856089757 /nfs/dbraw/zinc/08/97/57/856089757.db2.gz XUWFAELLRPCBEP-IKGGRYGDSA-N 1 3 355.523 0.941 20 0 FCADHO CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369918 856089762 /nfs/dbraw/zinc/08/97/62/856089762.db2.gz XUWFAELLRPCBEP-IKGGRYGDSA-N 1 3 355.523 0.941 20 0 FCADHO COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220409569 856111747 /nfs/dbraw/zinc/11/17/47/856111747.db2.gz XLWZYMUJKOACDG-GWCFXTLKSA-N 1 3 352.460 0.256 20 0 FCADHO CCCn1c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc(=O)n(CCC)c1=O ZINC001220424925 856119884 /nfs/dbraw/zinc/11/98/84/856119884.db2.gz YXNHFYXRJWIIST-HNNXBMFYSA-N 1 3 351.451 0.095 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606729 856202509 /nfs/dbraw/zinc/20/25/09/856202509.db2.gz CJSKAXQEFGPZEY-NEPJUHHUSA-N 1 3 358.236 0.846 20 0 FCADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220605717 856203665 /nfs/dbraw/zinc/20/36/65/856203665.db2.gz WLXGYSPTUZOLOF-OLZOCXBDSA-N 1 3 352.236 0.858 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220800156 856306475 /nfs/dbraw/zinc/30/64/75/856306475.db2.gz NALYOFNDRLEDDP-UONOGXRCSA-N 1 3 373.906 0.950 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220806923 856310741 /nfs/dbraw/zinc/31/07/41/856310741.db2.gz MKPIOGUZIKTTFK-SQNIBIBYSA-N 1 3 355.523 0.821 20 0 FCADHO CCOC(=O)C1(NC(=O)[C@@H](N)c2ccc(Br)cc2)C[NH2+]C1 ZINC001220851354 856336250 /nfs/dbraw/zinc/33/62/50/856336250.db2.gz SFHAUTLJNPCFHG-NSHDSACASA-N 1 3 356.220 0.470 20 0 FCADHO O=C(CC1CC[NH2+]CC1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898303 856363258 /nfs/dbraw/zinc/36/32/58/856363258.db2.gz FFYMNKSHLALYQM-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO COc1ccc(F)c(CN2CCC(NC(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC2)c1 ZINC001220910996 856370391 /nfs/dbraw/zinc/37/03/91/856370391.db2.gz BVVSONWKLPSRFL-DYVFJYSZSA-N 1 3 350.438 0.604 20 0 FCADHO COc1ccc(F)c(CN2CCC(NC(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC2)c1 ZINC001220910996 856370402 /nfs/dbraw/zinc/37/04/02/856370402.db2.gz BVVSONWKLPSRFL-DYVFJYSZSA-N 1 3 350.438 0.604 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926755 856378080 /nfs/dbraw/zinc/37/80/80/856378080.db2.gz YPNRFWFBUYLWLI-FYSMJZIKSA-N 1 3 352.504 0.506 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221073535 856449708 /nfs/dbraw/zinc/44/97/08/856449708.db2.gz ZTDTZSGXTYCXOY-KSZLIROESA-N 1 3 353.507 0.983 20 0 FCADHO COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2)c1 ZINC001221091816 856460524 /nfs/dbraw/zinc/46/05/24/856460524.db2.gz GCWBCWKCNQBXMX-IZHWHUGBSA-N 1 3 353.488 0.568 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)C1CCC1 ZINC001226831464 857127608 /nfs/dbraw/zinc/12/76/08/857127608.db2.gz PJEINBDGYOAOHU-HZPDHXFCSA-N 1 3 351.495 0.513 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254908 857198521 /nfs/dbraw/zinc/19/85/21/857198521.db2.gz LJDOJINDGGUUFE-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001229229505 857260199 /nfs/dbraw/zinc/26/01/99/857260199.db2.gz BASBLSONZZHKLD-BZUAXINKSA-N 1 3 359.536 0.780 20 0 FCADHO [O-]c1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1Br ZINC001235871309 857433486 /nfs/dbraw/zinc/43/34/86/857433486.db2.gz SCPLGEDEVMOLFB-UHFFFAOYSA-N 1 3 357.296 0.739 20 0 FCADHO CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238242242 857465344 /nfs/dbraw/zinc/46/53/44/857465344.db2.gz OEOYAEHESSZOFY-CQSZACIVSA-N 1 3 366.487 0.199 20 0 FCADHO CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238242242 857465346 /nfs/dbraw/zinc/46/53/46/857465346.db2.gz OEOYAEHESSZOFY-CQSZACIVSA-N 1 3 366.487 0.199 20 0 FCADHO [NH3+]CCCC[C@H]([N-]S(=O)(=O)[C@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238411875 857471081 /nfs/dbraw/zinc/47/10/81/857471081.db2.gz HLZKPJRANOUHEZ-HOTGVXAUSA-N 1 3 369.487 0.509 20 0 FCADHO COC(=O)c1cccc(CN(C2CC[NH2+]CC2)S(=O)(=O)CCN)c1 ZINC001239146912 857522669 /nfs/dbraw/zinc/52/26/69/857522669.db2.gz GPBDZMIZLMZIHP-UHFFFAOYSA-N 1 3 355.460 0.316 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697122 857590951 /nfs/dbraw/zinc/59/09/51/857590951.db2.gz UBZKASKKBIFBKO-BRWVUGGUSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697122 857590958 /nfs/dbraw/zinc/59/09/58/857590958.db2.gz UBZKASKKBIFBKO-BRWVUGGUSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709499 857591716 /nfs/dbraw/zinc/59/17/16/857591716.db2.gz OTROUFKSZUSRJV-XBKGKQEASA-N 1 3 351.491 0.902 20 0 FCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709499 857591725 /nfs/dbraw/zinc/59/17/25/857591725.db2.gz OTROUFKSZUSRJV-XBKGKQEASA-N 1 3 351.491 0.902 20 0 FCADHO CCCS(=O)(=O)N1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001253678400 857903019 /nfs/dbraw/zinc/90/30/19/857903019.db2.gz BPXKDVYYCVURJP-UHFFFAOYSA-N 1 3 372.579 0.902 20 0 FCADHO COC(=O)[C@H](C[NH3+])CN[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685767 857980775 /nfs/dbraw/zinc/98/07/75/857980775.db2.gz IXHAIVCPIJNZAG-VXGBXAGGSA-N 1 3 359.492 0.819 20 0 FCADHO C[NH+]1CCC(CN2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)CC1 ZINC001279609762 862977725 /nfs/dbraw/zinc/97/77/25/862977725.db2.gz WDIIAGXKCVLKSV-KBPBESRZSA-N 1 3 364.412 0.985 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001264392084 859353081 /nfs/dbraw/zinc/35/30/81/859353081.db2.gz CFEULODTGWRKTP-FVCCEPFGSA-N 1 3 366.491 0.301 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001264392084 859353088 /nfs/dbraw/zinc/35/30/88/859353088.db2.gz CFEULODTGWRKTP-FVCCEPFGSA-N 1 3 366.491 0.301 20 0 FCADHO C[C@H](C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1)N1CCCC1 ZINC001270491931 859772459 /nfs/dbraw/zinc/77/24/59/859772459.db2.gz ZDJUXXVHVHTQHU-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652523 859985692 /nfs/dbraw/zinc/98/56/92/859985692.db2.gz NLGFXOIYCZSHKH-QFBILLFUSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652523 859985699 /nfs/dbraw/zinc/98/56/99/859985699.db2.gz NLGFXOIYCZSHKH-QFBILLFUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001272744423 860244451 /nfs/dbraw/zinc/24/44/51/860244451.db2.gz FEJJYQBMYOIGSR-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001272744423 860244454 /nfs/dbraw/zinc/24/44/54/860244454.db2.gz FEJJYQBMYOIGSR-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822605 860272372 /nfs/dbraw/zinc/27/23/72/860272372.db2.gz ZXPZISCNDAXOGL-QFBILLFUSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822605 860272382 /nfs/dbraw/zinc/27/23/82/860272382.db2.gz ZXPZISCNDAXOGL-QFBILLFUSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822542 860272905 /nfs/dbraw/zinc/27/29/05/860272905.db2.gz YPJKKEYUKMJHSV-VQIMIIECSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822542 860272907 /nfs/dbraw/zinc/27/29/07/860272907.db2.gz YPJKKEYUKMJHSV-VQIMIIECSA-N 1 3 350.507 0.872 20 0 FCADHO CN1CCO[C@@H](C(=O)N2CCC3(CCCN(CC[NH+](C)C)C3)CC2)C1 ZINC001273217882 860412994 /nfs/dbraw/zinc/41/29/94/860412994.db2.gz NVDDFGBCBFEQKF-QGZVFWFLSA-N 1 3 352.523 0.583 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCCN1C)C2 ZINC001273312053 860447537 /nfs/dbraw/zinc/44/75/37/860447537.db2.gz BMZWWHWMIMQPMN-JTDSTZFVSA-N 1 3 350.507 0.729 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122853 860936381 /nfs/dbraw/zinc/93/63/81/860936381.db2.gz KHKKYWHIWJEVAX-LJQANCHMSA-N 1 3 350.507 0.337 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122853 860936391 /nfs/dbraw/zinc/93/63/91/860936391.db2.gz KHKKYWHIWJEVAX-LJQANCHMSA-N 1 3 350.507 0.337 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)N(C)C ZINC001275222566 860992045 /nfs/dbraw/zinc/99/20/45/860992045.db2.gz FOJSWELOWUIXMX-IEBWSBKVSA-N 1 3 354.539 0.828 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001275225631 860993493 /nfs/dbraw/zinc/99/34/93/860993493.db2.gz DGBPXFRDGCYMER-IYBDPMFKSA-N 1 3 350.507 0.729 20 0 FCADHO CCNC(=O)CN1CC[C@@]2(CCCN2CCC2CC[NH+](C)CC2)C1=O ZINC001275743824 861188031 /nfs/dbraw/zinc/18/80/31/861188031.db2.gz YNPXOXFGHRVXMD-IBGZPJMESA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(CC(=O)N1CCN(C)CC1)CC2 ZINC001280073916 863246630 /nfs/dbraw/zinc/24/66/30/863246630.db2.gz JZEBWHSXKZQOQG-UHFFFAOYSA-N 1 3 351.539 0.110 20 0 FCADHO CN(C)CC[N@H+]1CCC2(C1)CCN(CC(=O)N1CCN(C)CC1)CC2 ZINC001280073916 863246645 /nfs/dbraw/zinc/24/66/45/863246645.db2.gz JZEBWHSXKZQOQG-UHFFFAOYSA-N 1 3 351.539 0.110 20 0 FCADHO CCSCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001280175149 863308346 /nfs/dbraw/zinc/30/83/46/863308346.db2.gz JEDUWFYFMLGBRV-GJZGRUSLSA-N 1 3 368.547 0.340 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(C(=O)CN2CC[C@H](C)C2)C2CC2)CC[N@@H+]1C ZINC001284736417 864593956 /nfs/dbraw/zinc/59/39/56/864593956.db2.gz KEQCJACYIGSZTJ-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(C(=O)CN2CC[C@H](C)C2)C2CC2)CC[N@H+]1C ZINC001284736417 864593969 /nfs/dbraw/zinc/59/39/69/864593969.db2.gz KEQCJACYIGSZTJ-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)N(C)C ZINC001289829588 865292021 /nfs/dbraw/zinc/29/20/21/865292021.db2.gz LVCCQXOGMZBJFD-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001290042267 865320023 /nfs/dbraw/zinc/32/00/23/865320023.db2.gz FUFIIADTRCMXGP-UUAJXVIYSA-N 1 3 352.523 0.924 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001290042267 865320040 /nfs/dbraw/zinc/32/00/40/865320040.db2.gz FUFIIADTRCMXGP-UUAJXVIYSA-N 1 3 352.523 0.924 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](N)C2CCCCC2)cn1 ZINC001349487519 866359641 /nfs/dbraw/zinc/35/96/41/866359641.db2.gz PHARTUAKHMZEHG-INIZCTEOSA-N 1 3 350.467 0.407 20 0 FCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759780 867460146 /nfs/dbraw/zinc/46/01/46/867460146.db2.gz JKUGWDVUFUXGAF-IXDOHACOSA-N 1 3 350.507 0.907 20 0 FCADHO CN1C[C@@H](CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)OC1=O ZINC001324267917 869527560 /nfs/dbraw/zinc/52/75/60/869527560.db2.gz SIWHCIIUROLKFH-HNNXBMFYSA-N 1 3 354.495 0.853 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](NC(N)=O)C3)CC2)CC1 ZINC001326756075 870484930 /nfs/dbraw/zinc/48/49/30/870484930.db2.gz IXYRLYAOAPRPBW-HNNXBMFYSA-N 1 3 351.495 0.452 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](CO)[C@H](O)C3)CC2)CC1 ZINC001329065600 871805882 /nfs/dbraw/zinc/80/58/82/871805882.db2.gz FKGRIHMIRYEKMK-SJLPKXTDSA-N 1 3 353.507 0.384 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC001329434150 872024912 /nfs/dbraw/zinc/02/49/12/872024912.db2.gz PQAMFVKQXOJARH-PSASIEDQSA-N 1 3 362.356 0.310 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCN(C=O)CC3)CC2)CC1 ZINC001330170346 872506536 /nfs/dbraw/zinc/50/65/36/872506536.db2.gz RBMYKCMIQXNPJS-UHFFFAOYSA-N 1 3 351.495 0.419 20 0 FCADHO CN1CCN(C2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC001348700893 872770449 /nfs/dbraw/zinc/77/04/49/872770449.db2.gz JRXYBGGNKBEXFJ-CYBMUJFWSA-N 1 3 351.417 0.688 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1(C)C ZINC001331056128 872937535 /nfs/dbraw/zinc/93/75/35/872937535.db2.gz IPDDILVBUSMXFY-HNNXBMFYSA-N 1 3 356.511 0.212 20 0 FCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC001331146948 872982199 /nfs/dbraw/zinc/98/21/99/872982199.db2.gz RQPNESFCGIRRCI-GASCZTMLSA-N 1 3 368.547 0.708 20 0 FCADHO C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC001331322586 873061061 /nfs/dbraw/zinc/06/10/61/873061061.db2.gz QQFIBMAMSFCYTO-UAGQMJEPSA-N 1 3 367.515 0.918 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC001331322587 873061894 /nfs/dbraw/zinc/06/18/94/873061894.db2.gz QQFIBMAMSFCYTO-XIRDDKMYSA-N 1 3 367.515 0.918 20 0 FCADHO C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082208 951730665 /nfs/dbraw/zinc/73/06/65/951730665.db2.gz VUSQCWGPSVFNMX-GFCCVEGCSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082208 951730673 /nfs/dbraw/zinc/73/06/73/951730673.db2.gz VUSQCWGPSVFNMX-GFCCVEGCSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575093015 951796295 /nfs/dbraw/zinc/79/62/95/951796295.db2.gz GURZKTMQIZMBTR-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575093015 951796299 /nfs/dbraw/zinc/79/62/99/951796299.db2.gz GURZKTMQIZMBTR-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113655 951942746 /nfs/dbraw/zinc/94/27/46/951942746.db2.gz CQZGVGILIMEELV-AWEZNQCLSA-N 1 3 369.473 0.804 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113655 951942751 /nfs/dbraw/zinc/94/27/51/951942751.db2.gz CQZGVGILIMEELV-AWEZNQCLSA-N 1 3 369.473 0.804 20 0 FCADHO CC1[C@@H](C(=O)NCC2=CCN(C)CC2)[C@@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000295095141 214277088 /nfs/dbraw/zinc/27/70/88/214277088.db2.gz SQPANOLKGPEMEW-QZTJIDSGSA-N 1 3 360.502 0.625 20 0 FCADHO CC1[C@@H](C(=O)NCC2=CCN(C)CC2)[C@@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000295095141 214277091 /nfs/dbraw/zinc/27/70/91/214277091.db2.gz SQPANOLKGPEMEW-QZTJIDSGSA-N 1 3 360.502 0.625 20 0 FCADHO CN(CCCN1C(=O)NC(C)(C)C1=O)CC[N@H+](C)C1CCN(C)CC1 ZINC000177381290 529885976 /nfs/dbraw/zinc/88/59/76/529885976.db2.gz WHTKSNRMMZVWNN-UHFFFAOYSA-N 1 3 353.511 0.665 20 0 FCADHO CN(CCCN1C(=O)NC(C)(C)C1=O)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177381290 529885977 /nfs/dbraw/zinc/88/59/77/529885977.db2.gz WHTKSNRMMZVWNN-UHFFFAOYSA-N 1 3 353.511 0.665 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410441417 529907603 /nfs/dbraw/zinc/90/76/03/529907603.db2.gz YMUYEDVEWGSWMT-QGZVFWFLSA-N 1 3 350.507 0.731 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331460424 215000379 /nfs/dbraw/zinc/00/03/79/215000379.db2.gz YWTWRAIHPVUPTQ-SJORKVTESA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507340 215007311 /nfs/dbraw/zinc/00/73/11/215007311.db2.gz UAWCBCOFUONYRS-GDBMZVCRSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507350 215007720 /nfs/dbraw/zinc/00/77/20/215007720.db2.gz UAWCBCOFUONYRS-ZBFHGGJFSA-N 1 3 366.506 0.693 20 0 FCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000331547589 215013792 /nfs/dbraw/zinc/01/37/92/215013792.db2.gz BEQFBDMRXUVYQV-KBUPBQIOSA-N 1 3 352.479 0.301 20 0 FCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000331547589 215013795 /nfs/dbraw/zinc/01/37/95/215013795.db2.gz BEQFBDMRXUVYQV-KBUPBQIOSA-N 1 3 352.479 0.301 20 0 FCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331570981 215016598 /nfs/dbraw/zinc/01/65/98/215016598.db2.gz VLIMJDPUXYKLDY-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331570981 215016601 /nfs/dbraw/zinc/01/66/01/215016601.db2.gz VLIMJDPUXYKLDY-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331570987 215016809 /nfs/dbraw/zinc/01/68/09/215016809.db2.gz VLIMJDPUXYKLDY-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331570987 215016812 /nfs/dbraw/zinc/01/68/12/215016812.db2.gz VLIMJDPUXYKLDY-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000331581975 215018516 /nfs/dbraw/zinc/01/85/16/215018516.db2.gz FUBDMSVYUDQTNJ-YQQAZPJKSA-N 1 3 366.506 0.284 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000332059765 215084710 /nfs/dbraw/zinc/08/47/10/215084710.db2.gz XGBSKAMWKMQWRX-ZACQAIPSSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000332059765 215084713 /nfs/dbraw/zinc/08/47/13/215084713.db2.gz XGBSKAMWKMQWRX-ZACQAIPSSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000332268038 215119825 /nfs/dbraw/zinc/11/98/25/215119825.db2.gz GAMVFWLADYKAHE-INMHGKMJSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCN1C ZINC000332386486 215142747 /nfs/dbraw/zinc/14/27/47/215142747.db2.gz YCRMOUDDSDTLFF-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333279523 215258324 /nfs/dbraw/zinc/25/83/24/215258324.db2.gz HIYJZYLFBVUSEY-GOEBONIOSA-N 1 3 359.478 0.977 20 0 FCADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000333295021 215260418 /nfs/dbraw/zinc/26/04/18/215260418.db2.gz JTGUJDPKKUALGP-MRXNPFEDSA-N 1 3 359.478 0.978 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1C ZINC000333466843 215286263 /nfs/dbraw/zinc/28/62/63/215286263.db2.gz AIWNVBDUAYOMEE-VEZWFGLTSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333466843 215286265 /nfs/dbraw/zinc/28/62/65/215286265.db2.gz AIWNVBDUAYOMEE-VEZWFGLTSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333639487 215303550 /nfs/dbraw/zinc/30/35/50/215303550.db2.gz HWKVOZRLXSMPOJ-XHSDSOJGSA-N 1 3 351.495 0.323 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333864547 215325496 /nfs/dbraw/zinc/32/54/96/215325496.db2.gz SRRUOYHFUWRWLP-CRAIPNDOSA-N 1 3 351.495 0.324 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284137824 213082890 /nfs/dbraw/zinc/08/28/90/213082890.db2.gz DMLDUAGETINGGO-DLBZAZTESA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284137824 213082893 /nfs/dbraw/zinc/08/28/93/213082893.db2.gz DMLDUAGETINGGO-DLBZAZTESA-N 1 3 362.474 0.913 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000366595517 216001687 /nfs/dbraw/zinc/00/16/87/216001687.db2.gz GUDILJHSFNLXSD-KFWWJZLASA-N 1 3 353.429 0.884 20 0 FCADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000366915309 216048756 /nfs/dbraw/zinc/04/87/56/216048756.db2.gz SPTUAIUNMNXICQ-UHFFFAOYSA-N 1 3 362.518 0.875 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413808311 237383782 /nfs/dbraw/zinc/38/37/82/237383782.db2.gz HRHBQDZQUWDNKO-QGZVFWFLSA-N 1 3 353.507 0.985 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)CN1CCN(C)CC1 ZINC000245883983 209375729 /nfs/dbraw/zinc/37/57/29/209375729.db2.gz BLJBTMDFMAQAFD-KZNAEPCWSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)CN1CCN(C)CC1 ZINC000245883983 209375733 /nfs/dbraw/zinc/37/57/33/209375733.db2.gz BLJBTMDFMAQAFD-KZNAEPCWSA-N 1 3 351.539 0.996 20 0 FCADHO COC[C@H](C)OC[C@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000369333354 216384138 /nfs/dbraw/zinc/38/41/38/216384138.db2.gz BMHXCJKPBYHPPG-PKOBYXMFSA-N 1 3 357.539 0.889 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)n1 ZINC000190016074 209265443 /nfs/dbraw/zinc/26/54/43/209265443.db2.gz QRAXLIAPZZRPBU-HNNXBMFYSA-N 1 3 362.478 0.470 20 0 FCADHO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000188945775 209241995 /nfs/dbraw/zinc/24/19/95/209241995.db2.gz MMCFDDPBRRJGLV-SJORKVTESA-N 1 3 369.554 0.357 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275634711 212065002 /nfs/dbraw/zinc/06/50/02/212065002.db2.gz RAMUTFIROKZCFM-UHFFFAOYSA-N 1 3 364.490 0.766 20 0 FCADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000275420714 212024711 /nfs/dbraw/zinc/02/47/11/212024711.db2.gz MMNZEBIZKXPJKT-GOSISDBHSA-N 1 3 350.463 0.158 20 0 FCADHO COc1ccc(C[N@H+](CCO)C[C@@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414701239 245313830 /nfs/dbraw/zinc/31/38/30/245313830.db2.gz UMAWODSEAHEQFS-HNNXBMFYSA-N 1 3 365.474 0.695 20 0 FCADHO COc1ccc(C[N@@H+](CCO)C[C@@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414701239 245313834 /nfs/dbraw/zinc/31/38/34/245313834.db2.gz UMAWODSEAHEQFS-HNNXBMFYSA-N 1 3 365.474 0.695 20 0 FCADHO COc1cc(CNC[C@H](C)C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000414885490 245328730 /nfs/dbraw/zinc/32/87/30/245328730.db2.gz WZIVKAPYXDFDRP-CQSZACIVSA-N 1 3 351.447 0.617 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088296 245345070 /nfs/dbraw/zinc/34/50/70/245345070.db2.gz WGOHRXSXZAGJKC-DLBZAZTESA-N 1 3 374.485 0.453 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415292710 245379819 /nfs/dbraw/zinc/37/98/19/245379819.db2.gz KFLOPFMXYQSGEP-MRXNPFEDSA-N 1 3 359.474 0.322 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000415331104 245390502 /nfs/dbraw/zinc/39/05/02/245390502.db2.gz ZXDOYXWHHAVHDN-GOSISDBHSA-N 1 3 373.501 0.583 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374171846 217105010 /nfs/dbraw/zinc/10/50/10/217105010.db2.gz KHGRMCVCAFOQRF-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891211 209154374 /nfs/dbraw/zinc/15/43/74/209154374.db2.gz KPAZKKJJVWYXDS-CQSZACIVSA-N 1 3 350.467 0.660 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891211 209154378 /nfs/dbraw/zinc/15/43/78/209154378.db2.gz KPAZKKJJVWYXDS-CQSZACIVSA-N 1 3 350.467 0.660 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623660 245807994 /nfs/dbraw/zinc/80/79/94/245807994.db2.gz XIIJORFERLKJSL-STQMWFEESA-N 1 3 351.417 0.558 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807856 245835237 /nfs/dbraw/zinc/83/52/37/245835237.db2.gz QIFDLEMRMRMOIQ-KGLIPLIRSA-N 1 3 354.495 0.454 20 0 FCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419031131 245947775 /nfs/dbraw/zinc/94/77/75/245947775.db2.gz ILDHVWMERZVYMX-OAHLLOKOSA-N 1 3 368.547 0.804 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419131082 246006174 /nfs/dbraw/zinc/00/61/74/246006174.db2.gz CBPXZAIXWNOLLP-CVEARBPZSA-N 1 3 362.474 0.629 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419152115 246019210 /nfs/dbraw/zinc/01/92/10/246019210.db2.gz OAUYCWSDYGWUNZ-VBNZEHGJSA-N 1 3 350.438 0.535 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)N1CCC(C)CC1 ZINC000419162164 246025621 /nfs/dbraw/zinc/02/56/21/246025621.db2.gz TVENEXZTKCRWEX-MRXNPFEDSA-N 1 3 368.522 0.579 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419146091 246014962 /nfs/dbraw/zinc/01/49/62/246014962.db2.gz HLRQEZNWVYUESP-OWCLPIDISA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419145785 246015828 /nfs/dbraw/zinc/01/58/28/246015828.db2.gz HUBPJDUSHHHXOM-HUUCEWRRSA-N 1 3 362.474 0.439 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419149228 246016664 /nfs/dbraw/zinc/01/66/64/246016664.db2.gz KWAYUIVUGRNEBQ-SJORKVTESA-N 1 3 374.485 0.311 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419162677 246026737 /nfs/dbraw/zinc/02/67/37/246026737.db2.gz HRXUFQVIFBUYAL-RDJZCZTQSA-N 1 3 362.474 0.105 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419168068 246030042 /nfs/dbraw/zinc/03/00/42/246030042.db2.gz JYNQCAPYGONCDA-ZNMIVQPWSA-N 1 3 354.495 0.452 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419168068 246030044 /nfs/dbraw/zinc/03/00/44/246030044.db2.gz JYNQCAPYGONCDA-ZNMIVQPWSA-N 1 3 354.495 0.452 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419173332 246032222 /nfs/dbraw/zinc/03/22/22/246032222.db2.gz SIXGTELMVYRWIU-ARFHVFGLSA-N 1 3 368.522 0.986 20 0 FCADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419174313 246035531 /nfs/dbraw/zinc/03/55/31/246035531.db2.gz VCWCOCPLIDJINM-ZWKOTPCHSA-N 1 3 358.486 0.617 20 0 FCADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419174313 246035535 /nfs/dbraw/zinc/03/55/35/246035535.db2.gz VCWCOCPLIDJINM-ZWKOTPCHSA-N 1 3 358.486 0.617 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000419216426 246060408 /nfs/dbraw/zinc/06/04/08/246060408.db2.gz PNLPEVSGDRBPPZ-MRXNPFEDSA-N 1 3 362.474 0.502 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000419201168 246050136 /nfs/dbraw/zinc/05/01/36/246050136.db2.gz FTDWXBGKXKNCLC-HXUWFJFHSA-N 1 3 374.485 0.455 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)C[C@@H]21 ZINC000419228626 246067970 /nfs/dbraw/zinc/06/79/70/246067970.db2.gz MOHKARMAIDUCAQ-ZJPYXAASSA-N 1 3 362.518 0.953 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231194 246069211 /nfs/dbraw/zinc/06/92/11/246069211.db2.gz RKBBFDHGVRXPQX-NUEKZKHPSA-N 1 3 366.506 0.596 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231194 246069220 /nfs/dbraw/zinc/06/92/20/246069220.db2.gz RKBBFDHGVRXPQX-NUEKZKHPSA-N 1 3 366.506 0.596 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419233887 246072049 /nfs/dbraw/zinc/07/20/49/246072049.db2.gz WVPZNORLGKCKKC-XIRDDKMYSA-N 1 3 350.507 0.871 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419243680 246075333 /nfs/dbraw/zinc/07/53/33/246075333.db2.gz SVRZCUORZMNSPK-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310359 246096028 /nfs/dbraw/zinc/09/60/28/246096028.db2.gz QZBHVVNBNPSBKE-XJKSGUPXSA-N 1 3 366.506 0.739 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419371926 246122360 /nfs/dbraw/zinc/12/23/60/246122360.db2.gz LRGFQUFBDZLSGO-IAGOWNOFSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000419373734 246122428 /nfs/dbraw/zinc/12/24/28/246122428.db2.gz MXVNARRPZRXOMT-QAPCUYQASA-N 1 3 372.513 0.706 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000419370745 246122743 /nfs/dbraw/zinc/12/27/43/246122743.db2.gz HSTDQBFYNPPTAI-HXUWFJFHSA-N 1 3 370.497 0.414 20 0 FCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419371419 246123203 /nfs/dbraw/zinc/12/32/03/246123203.db2.gz IZLGOLITNWCRNZ-KRWDZBQOSA-N 1 3 360.502 0.836 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381548 246124253 /nfs/dbraw/zinc/12/42/53/246124253.db2.gz YIUKBCPZELHTEA-SJORKVTESA-N 1 3 358.486 0.588 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419411892 246145846 /nfs/dbraw/zinc/14/58/46/246145846.db2.gz CBHNFDYBBZIIRI-GOSISDBHSA-N 1 3 358.486 0.809 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419428465 246159660 /nfs/dbraw/zinc/15/96/60/246159660.db2.gz STYRJFRKHAQPKA-DOTOQJQBSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419525585 246191394 /nfs/dbraw/zinc/19/13/94/246191394.db2.gz ROJPYLWKDXMBQL-JLJPHGGASA-N 1 3 364.465 0.925 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419525585 246191400 /nfs/dbraw/zinc/19/14/00/246191400.db2.gz ROJPYLWKDXMBQL-JLJPHGGASA-N 1 3 364.465 0.925 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528323 246191935 /nfs/dbraw/zinc/19/19/35/246191935.db2.gz CAMNZOGAIXQJNE-SJORKVTESA-N 1 3 362.474 0.290 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419586245 246212303 /nfs/dbraw/zinc/21/23/03/246212303.db2.gz MPJWNYFFBADYCL-VYDXJSESSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000419590662 246212349 /nfs/dbraw/zinc/21/23/49/246212349.db2.gz UNHBHPHLLRZSTL-KRWDZBQOSA-N 1 3 356.536 0.388 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000419660920 246234956 /nfs/dbraw/zinc/23/49/56/246234956.db2.gz DDYJYWOVZZHGBY-NVXWUHKLSA-N 1 3 373.501 0.858 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649696 246231251 /nfs/dbraw/zinc/23/12/51/246231251.db2.gz UIGMHOWLXIJIAZ-IUODEOHRSA-N 1 3 352.479 0.206 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000419650364 246231580 /nfs/dbraw/zinc/23/15/80/246231580.db2.gz CVDMDZNQPPPXCI-OWYHZJEWSA-N 1 3 370.497 0.976 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419720007 246269640 /nfs/dbraw/zinc/26/96/40/246269640.db2.gz HDJCXPDNASANFK-SFHVURJKSA-N 1 3 358.486 0.978 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CCCCC1 ZINC000419678890 246246382 /nfs/dbraw/zinc/24/63/82/246246382.db2.gz DZJZYDPDQCVNTG-UHFFFAOYSA-N 1 3 366.506 0.525 20 0 FCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419687400 246250667 /nfs/dbraw/zinc/25/06/67/246250667.db2.gz PHVKNGDAFIBOBL-OAHLLOKOSA-N 1 3 352.479 0.087 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H]1CN ZINC000419709811 246262753 /nfs/dbraw/zinc/26/27/53/246262753.db2.gz KMVJYPVCNXUBGP-QAPCUYQASA-N 1 3 360.502 0.993 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419769095 246290548 /nfs/dbraw/zinc/29/05/48/246290548.db2.gz DACMQGRNUVCVIX-IHRRRGAJSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419769095 246290553 /nfs/dbraw/zinc/29/05/53/246290553.db2.gz DACMQGRNUVCVIX-IHRRRGAJSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419769095 246290557 /nfs/dbraw/zinc/29/05/57/246290557.db2.gz DACMQGRNUVCVIX-IHRRRGAJSA-N 1 3 354.495 0.452 20 0 FCADHO NCCN(CCO)C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419822145 246305348 /nfs/dbraw/zinc/30/53/48/246305348.db2.gz OXJGRSANTMQHPI-UHFFFAOYSA-N 1 3 354.495 0.071 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419840593 246315087 /nfs/dbraw/zinc/31/50/87/246315087.db2.gz DJQVAXWLBGSVOU-GASCZTMLSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000419843100 246317184 /nfs/dbraw/zinc/31/71/84/246317184.db2.gz WYAKYXACKCZOCF-HUUCEWRRSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419859207 246327846 /nfs/dbraw/zinc/32/78/46/246327846.db2.gz JHDTYPSEHHBQNM-CKEIUWERSA-N 1 3 366.506 0.188 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000419867799 246338328 /nfs/dbraw/zinc/33/83/28/246338328.db2.gz CXYDODCGKYAPFF-LSDHHAIUSA-N 1 3 350.463 0.864 20 0 FCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419933560 246374537 /nfs/dbraw/zinc/37/45/37/246374537.db2.gz FGHQZJNINMGVIO-IRXDYDNUSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901506 246359800 /nfs/dbraw/zinc/35/98/00/246359800.db2.gz UCITYINKWOZEOQ-HNNXBMFYSA-N 1 3 368.428 0.723 20 0 FCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419973617 246396839 /nfs/dbraw/zinc/39/68/39/246396839.db2.gz GRDOJKPCQSAJID-HZPDHXFCSA-N 1 3 367.538 0.103 20 0 FCADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423557778 247051555 /nfs/dbraw/zinc/05/15/55/247051555.db2.gz COIJRHCSGZXWRJ-PXNSSMCTSA-N 1 3 374.485 0.032 20 0 FCADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423583545 247062580 /nfs/dbraw/zinc/06/25/80/247062580.db2.gz KJCHZYBQIASDOE-OAHLLOKOSA-N 1 3 368.522 0.532 20 0 FCADHO NCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000423663209 247100930 /nfs/dbraw/zinc/10/09/30/247100930.db2.gz GINNTNDLJZHEST-SFHVURJKSA-N 1 3 358.486 0.918 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000423666508 247101069 /nfs/dbraw/zinc/10/10/69/247101069.db2.gz MJAPGXPHTNAZCB-ROUUACIJSA-N 1 3 358.486 0.917 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@@H]21 ZINC000423666508 247101075 /nfs/dbraw/zinc/10/10/75/247101075.db2.gz MJAPGXPHTNAZCB-ROUUACIJSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423778581 247142478 /nfs/dbraw/zinc/14/24/78/247142478.db2.gz SZWAYCVHSKOPKW-HNNXBMFYSA-N 1 3 352.504 0.897 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423724425 247126739 /nfs/dbraw/zinc/12/67/39/247126739.db2.gz HELAWIADQMYRQS-BBWFWOEESA-N 1 3 368.522 0.532 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423726470 247128085 /nfs/dbraw/zinc/12/80/85/247128085.db2.gz UGQNANHFXMRNJP-RRFJBIMHSA-N 1 3 354.495 0.140 20 0 FCADHO C[C@H]1CC2(CN1CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH2+]CC2 ZINC000424291363 247196114 /nfs/dbraw/zinc/19/61/14/247196114.db2.gz NQZLBJTVFHKINC-HNNXBMFYSA-N 1 3 374.485 0.631 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424058553 247164554 /nfs/dbraw/zinc/16/45/54/247164554.db2.gz LJYURUFHWCXVBL-AWEZNQCLSA-N 1 3 356.434 0.260 20 0 FCADHO CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425386228 247330410 /nfs/dbraw/zinc/33/04/10/247330410.db2.gz LSRYCUUWCTYVQU-ZWKOTPCHSA-N 1 3 358.486 0.739 20 0 FCADHO CC(C)N(CC[NH+](C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000440091664 248155756 /nfs/dbraw/zinc/15/57/56/248155756.db2.gz YIVDHWDMODZPOQ-INIZCTEOSA-N 1 3 355.527 0.911 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000439240788 248116864 /nfs/dbraw/zinc/11/68/64/248116864.db2.gz XCWMBGJLBDDFLT-MSOLQXFVSA-N 1 3 355.523 0.989 20 0 FCADHO CCN1CCC(NC(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253163 248245664 /nfs/dbraw/zinc/24/56/64/248245664.db2.gz AKXJDFIVTYXRNM-OKZBNKHCSA-N 1 3 352.523 0.770 20 0 FCADHO CC1(C)CCCN(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000445150061 248374313 /nfs/dbraw/zinc/37/43/13/248374313.db2.gz HHIVWUJJCOXSCT-INIZCTEOSA-N 1 3 367.538 0.995 20 0 FCADHO CC1(C)CCCN(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000445150061 248374314 /nfs/dbraw/zinc/37/43/14/248374314.db2.gz HHIVWUJJCOXSCT-INIZCTEOSA-N 1 3 367.538 0.995 20 0 FCADHO CN(C)CCOc1cc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)ccn1 ZINC000270728657 211255324 /nfs/dbraw/zinc/25/53/24/211255324.db2.gz YAEHKICJHUSFBT-KRWDZBQOSA-N 1 3 353.467 0.134 20 0 FCADHO COC(=O)CCn1nc(C)c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000470009096 250021834 /nfs/dbraw/zinc/02/18/34/250021834.db2.gz PBSKHHXHGDFKQV-HNNXBMFYSA-N 1 3 365.478 0.350 20 0 FCADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007386 250021029 /nfs/dbraw/zinc/02/10/29/250021029.db2.gz BJGPXUFQWVZRQI-ZBFHGGJFSA-N 1 3 363.458 0.914 20 0 FCADHO C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000471655857 250113215 /nfs/dbraw/zinc/11/32/15/250113215.db2.gz YYVCRDNVLGRLSP-SJORKVTESA-N 1 3 355.527 0.232 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000472172568 250135876 /nfs/dbraw/zinc/13/58/76/250135876.db2.gz OJAOKJIIYDNBTP-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CC(C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCN(C)CC1 ZINC000481018338 250309477 /nfs/dbraw/zinc/30/94/77/250309477.db2.gz DPZINDSRKNULCE-SJLPKXTDSA-N 1 3 371.595 0.995 20 0 FCADHO C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)CN1CCN(C)CC1 ZINC000481697200 250349836 /nfs/dbraw/zinc/34/98/36/250349836.db2.gz PHWOLYJXRARBCK-DOTOQJQBSA-N 1 3 357.568 0.606 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000069016789 208031443 /nfs/dbraw/zinc/03/14/43/208031443.db2.gz GHGBEPFJZPULGV-HUUCEWRRSA-N 1 3 352.479 0.750 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c(OCCN(C)C)c1 ZINC000118971194 208353880 /nfs/dbraw/zinc/35/38/80/208353880.db2.gz BYCZTXLRTRZZOO-HNNXBMFYSA-N 1 3 362.474 0.942 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(OCCN(C)C)c1 ZINC000118971194 208353887 /nfs/dbraw/zinc/35/38/87/208353887.db2.gz BYCZTXLRTRZZOO-HNNXBMFYSA-N 1 3 362.474 0.942 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000410472261 230093421 /nfs/dbraw/zinc/09/34/21/230093421.db2.gz RKKRQEYIDLSEKW-HNNXBMFYSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000410472262 230093577 /nfs/dbraw/zinc/09/35/77/230093577.db2.gz RKKRQEYIDLSEKW-OAHLLOKOSA-N 1 3 354.495 0.108 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000933849256 674276645 /nfs/dbraw/zinc/27/66/45/674276645.db2.gz GPCLXWJXSJEUNV-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000533321748 484202343 /nfs/dbraw/zinc/20/23/43/484202343.db2.gz QLFKFWWSBRZDCX-CQSZACIVSA-N 1 3 350.467 0.230 20 0 FCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000533321748 484202349 /nfs/dbraw/zinc/20/23/49/484202349.db2.gz QLFKFWWSBRZDCX-CQSZACIVSA-N 1 3 350.467 0.230 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312940339 488896003 /nfs/dbraw/zinc/89/60/03/488896003.db2.gz PNNORQYBMFQVTG-MOPGFXCFSA-N 1 3 370.497 0.789 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312940339 488896006 /nfs/dbraw/zinc/89/60/06/488896006.db2.gz PNNORQYBMFQVTG-MOPGFXCFSA-N 1 3 370.497 0.789 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(CN3CCOCC3)CC2)CC1 ZINC000051958608 488152998 /nfs/dbraw/zinc/15/29/98/488152998.db2.gz RYDZAUDRBTXFMB-QGZVFWFLSA-N 1 3 352.523 0.583 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000073288336 488384273 /nfs/dbraw/zinc/38/42/73/488384273.db2.gz HSMUCAKCSOEYGK-HNNXBMFYSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@H](CNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000073586396 488384986 /nfs/dbraw/zinc/38/49/86/488384986.db2.gz QQDBCEDPBHRCCC-KURKYZTESA-N 1 3 369.554 0.668 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000185606735 488401511 /nfs/dbraw/zinc/40/15/11/488401511.db2.gz YQXDTKUQWCUCIJ-QGZVFWFLSA-N 1 3 368.570 0.338 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000189998251 488416503 /nfs/dbraw/zinc/41/65/03/488416503.db2.gz QJSPJHXWGNIWKB-ZBFHGGJFSA-N 1 3 352.479 0.311 20 0 FCADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000080061243 488433509 /nfs/dbraw/zinc/43/35/09/488433509.db2.gz DCVVXEUYMREGOM-OAHLLOKOSA-N 1 3 359.478 0.853 20 0 FCADHO C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246773269 488475721 /nfs/dbraw/zinc/47/57/21/488475721.db2.gz OHAMIXMWNOTAQZ-WOJBJXKFSA-N 1 3 366.550 0.295 20 0 FCADHO C(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246773269 488475723 /nfs/dbraw/zinc/47/57/23/488475723.db2.gz OHAMIXMWNOTAQZ-WOJBJXKFSA-N 1 3 366.550 0.295 20 0 FCADHO CN(CC[NH+](C)C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000554419840 491201332 /nfs/dbraw/zinc/20/13/32/491201332.db2.gz YHTNEVXJXGJDDL-UHFFFAOYSA-N 1 3 370.563 0.874 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000247665960 488489054 /nfs/dbraw/zinc/48/90/54/488489054.db2.gz YSGOVVAGILOHJM-KZNAEPCWSA-N 1 3 368.522 0.726 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000269309462 488489991 /nfs/dbraw/zinc/48/99/91/488489991.db2.gz VYWNZRGKJDLYJS-IBGZPJMESA-N 1 3 360.502 0.819 20 0 FCADHO NCc1nc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000269313360 488490547 /nfs/dbraw/zinc/49/05/47/488490547.db2.gz YDHPPACCLLYWPF-UHFFFAOYSA-N 1 3 360.487 0.939 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1cc(Br)ccc1=O ZINC000103212391 488500827 /nfs/dbraw/zinc/50/08/27/488500827.db2.gz PJXBOOQCKYNLDT-UHFFFAOYSA-N 1 3 373.295 0.563 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000103212437 488500983 /nfs/dbraw/zinc/50/09/83/488500983.db2.gz XNPMSSYRZXEUHB-GFCCVEGCSA-N 1 3 352.401 0.349 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000103607483 488503207 /nfs/dbraw/zinc/50/32/07/488503207.db2.gz NSLWPTLDGXLZIU-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)COC1CCOCC1 ZINC000563011644 491207820 /nfs/dbraw/zinc/20/78/20/491207820.db2.gz NFINADRONMZJMY-RBUKOAKNSA-N 1 3 364.486 0.899 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261646732 488528842 /nfs/dbraw/zinc/52/88/42/488528842.db2.gz ADDCTYMPVRBUTI-YESZJQIVSA-N 1 3 350.507 0.968 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000111865035 488532331 /nfs/dbraw/zinc/53/23/31/488532331.db2.gz GWXHNUBPDYCQRA-IRXDYDNUSA-N 1 3 356.511 0.489 20 0 FCADHO C[C@]1(C[NH3+])CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747564 488534036 /nfs/dbraw/zinc/53/40/36/488534036.db2.gz KZWYSSGNSZGLEK-QGZVFWFLSA-N 1 3 368.503 0.054 20 0 FCADHO C[C@]1(CN)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747564 488534039 /nfs/dbraw/zinc/53/40/39/488534039.db2.gz KZWYSSGNSZGLEK-QGZVFWFLSA-N 1 3 368.503 0.054 20 0 FCADHO C[C@]1(CN)CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747564 488534041 /nfs/dbraw/zinc/53/40/41/488534041.db2.gz KZWYSSGNSZGLEK-QGZVFWFLSA-N 1 3 368.503 0.054 20 0 FCADHO CCOC(=O)C1CCC(O)(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000562988261 491206179 /nfs/dbraw/zinc/20/61/79/491206179.db2.gz VCXNHZGPAAXGFS-WUJZJPHMSA-N 1 3 369.506 0.648 20 0 FCADHO CCOC(=O)C1CCC(O)(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000562988261 491206180 /nfs/dbraw/zinc/20/61/80/491206180.db2.gz VCXNHZGPAAXGFS-WUJZJPHMSA-N 1 3 369.506 0.648 20 0 FCADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262477298 488572365 /nfs/dbraw/zinc/57/23/65/488572365.db2.gz HKRJNIYTHWBUOS-RTBURBONSA-N 1 3 360.502 0.423 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1=O ZINC000262508929 488574077 /nfs/dbraw/zinc/57/40/77/488574077.db2.gz MIHMTKQMTQCBLF-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000122062172 488574877 /nfs/dbraw/zinc/57/48/77/488574877.db2.gz FGTXGLRAQXSGJF-CABCVRRESA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000122062172 488574879 /nfs/dbraw/zinc/57/48/79/488574879.db2.gz FGTXGLRAQXSGJF-CABCVRRESA-N 1 3 362.478 0.326 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000262637596 488583695 /nfs/dbraw/zinc/58/36/95/488583695.db2.gz QFZUWASOWOVTJW-GVDBMIGSSA-N 1 3 350.507 0.825 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1c(C)cc(O)cc1=O ZINC000125131508 488598121 /nfs/dbraw/zinc/59/81/21/488598121.db2.gz HKLCAYCIVOGSHN-MRXNPFEDSA-N 1 3 364.490 0.737 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1c(C)cc(O)cc1=O ZINC000125131508 488598122 /nfs/dbraw/zinc/59/81/22/488598122.db2.gz HKLCAYCIVOGSHN-MRXNPFEDSA-N 1 3 364.490 0.737 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000263226044 488606724 /nfs/dbraw/zinc/60/67/24/488606724.db2.gz GNGIDLXUPVBFQZ-NUJGCVRESA-N 1 3 367.538 0.103 20 0 FCADHO C[C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCN(C)CC1 ZINC000263667973 488617371 /nfs/dbraw/zinc/61/73/71/488617371.db2.gz IGKLEEVMBIJYBD-GOSISDBHSA-N 1 3 374.533 0.346 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079664 488629025 /nfs/dbraw/zinc/62/90/25/488629025.db2.gz SZEFVBBCHUDLOY-DLBZAZTESA-N 1 3 367.538 0.301 20 0 FCADHO COc1cc(F)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130619784 488639058 /nfs/dbraw/zinc/63/90/58/488639058.db2.gz YDDQXSDZOBOBBW-UHFFFAOYSA-N 1 3 354.426 0.725 20 0 FCADHO CSCC[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000138079729 488681923 /nfs/dbraw/zinc/68/19/23/488681923.db2.gz TYIYZYPDBQWECM-HNNXBMFYSA-N 1 3 358.552 0.958 20 0 FCADHO CN(C)C1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)Cc2ccccc2C1 ZINC000563082955 491214339 /nfs/dbraw/zinc/21/43/39/491214339.db2.gz XDSHUVIUAGRWFU-QGZVFWFLSA-N 1 3 368.485 0.859 20 0 FCADHO CCN(CCO)CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000274625660 488723933 /nfs/dbraw/zinc/72/39/33/488723933.db2.gz GSIDPDGDBWKJHT-UHFFFAOYSA-N 1 3 352.479 0.740 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1=O ZINC000266807078 488732491 /nfs/dbraw/zinc/73/24/91/488732491.db2.gz BULLOOIIYRDHJX-SFHVURJKSA-N 1 3 372.513 0.612 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000154030469 488737295 /nfs/dbraw/zinc/73/72/95/488737295.db2.gz KXCBSIXXZUYFEI-GOSISDBHSA-N 1 3 369.554 0.406 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccnn2C)nn1 ZINC000570146719 491219700 /nfs/dbraw/zinc/21/97/00/491219700.db2.gz NXAAYUHHHQVLPC-UHFFFAOYSA-N 1 3 360.466 0.834 20 0 FCADHO C[NH+]1CCC(O)(CNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000267014592 488752940 /nfs/dbraw/zinc/75/29/40/488752940.db2.gz BUTBULGTESGQEK-UHFFFAOYSA-N 1 3 360.502 0.772 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155614959 488757518 /nfs/dbraw/zinc/75/75/18/488757518.db2.gz OCOSNZYGVHHJTH-WMZOPIPTSA-N 1 3 352.523 0.630 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155614959 488757519 /nfs/dbraw/zinc/75/75/19/488757519.db2.gz OCOSNZYGVHHJTH-WMZOPIPTSA-N 1 3 352.523 0.630 20 0 FCADHO CC[N@@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125502 488762569 /nfs/dbraw/zinc/76/25/69/488762569.db2.gz OLSGNXIGYHTLFN-IAGOWNOFSA-N 1 3 360.506 0.835 20 0 FCADHO CC[N@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125502 488762571 /nfs/dbraw/zinc/76/25/71/488762571.db2.gz OLSGNXIGYHTLFN-IAGOWNOFSA-N 1 3 360.506 0.835 20 0 FCADHO [NH3+]C[C@@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154154 491222818 /nfs/dbraw/zinc/22/28/18/491222818.db2.gz PGGQQQYLWJZSFB-LLVKDONJSA-N 1 3 366.384 0.452 20 0 FCADHO NC[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154154 491222820 /nfs/dbraw/zinc/22/28/20/491222820.db2.gz PGGQQQYLWJZSFB-LLVKDONJSA-N 1 3 366.384 0.452 20 0 FCADHO NC[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154154 491222822 /nfs/dbraw/zinc/22/28/22/491222822.db2.gz PGGQQQYLWJZSFB-LLVKDONJSA-N 1 3 366.384 0.452 20 0 FCADHO CN1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000172324057 488833053 /nfs/dbraw/zinc/83/30/53/488833053.db2.gz MJYUAUXQKNFKSH-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO CN1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000172324057 488833054 /nfs/dbraw/zinc/83/30/54/488833054.db2.gz MJYUAUXQKNFKSH-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172789142 488837744 /nfs/dbraw/zinc/83/77/44/488837744.db2.gz FDKLNEMIHJCQKR-LJQANCHMSA-N 1 3 373.545 0.951 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000179128282 488860866 /nfs/dbraw/zinc/86/08/66/488860866.db2.gz FXHHZLROHSABIY-QGZVFWFLSA-N 1 3 353.555 0.497 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000179128282 488860867 /nfs/dbraw/zinc/86/08/67/488860867.db2.gz FXHHZLROHSABIY-QGZVFWFLSA-N 1 3 353.555 0.497 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000179128282 488860868 /nfs/dbraw/zinc/86/08/68/488860868.db2.gz FXHHZLROHSABIY-QGZVFWFLSA-N 1 3 353.555 0.497 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000179676863 488861597 /nfs/dbraw/zinc/86/15/97/488861597.db2.gz FDNZXMLDOFWZOX-UHFFFAOYSA-N 1 3 366.506 0.654 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000179676863 488861598 /nfs/dbraw/zinc/86/15/98/488861598.db2.gz FDNZXMLDOFWZOX-UHFFFAOYSA-N 1 3 366.506 0.654 20 0 FCADHO CS(=O)(=O)C1(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCNCC1 ZINC000563168950 491225084 /nfs/dbraw/zinc/22/50/84/491225084.db2.gz CMFDPAIIJYDTOK-UHFFFAOYSA-N 1 3 369.531 0.423 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211191 491227649 /nfs/dbraw/zinc/22/76/49/491227649.db2.gz OLKMZUVRMBBSGI-MDZRGWNJSA-N 1 3 350.507 0.825 20 0 FCADHO COC[C@@H](CO)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312011 489066690 /nfs/dbraw/zinc/06/66/90/489066690.db2.gz ZEMLLRYZVDLHRT-GDBMZVCRSA-N 1 3 373.519 0.575 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365690107 489100877 /nfs/dbraw/zinc/10/08/77/489100877.db2.gz DBUICCSMHQIPCC-AHIWAGSCSA-N 1 3 350.467 0.305 20 0 FCADHO CN1CCC(NC(=O)[C@@H]2CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000332748596 489224635 /nfs/dbraw/zinc/22/46/35/489224635.db2.gz HODJGJZROPGGCN-IAGOWNOFSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)[C@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000332780535 489229428 /nfs/dbraw/zinc/22/94/28/489229428.db2.gz SUPWMMDGPUVARA-DLBZAZTESA-N 1 3 365.522 0.759 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000369479639 489243503 /nfs/dbraw/zinc/24/35/03/489243503.db2.gz BGHXRJILGQFEEW-NVXWUHKLSA-N 1 3 354.495 0.507 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820629 489279170 /nfs/dbraw/zinc/27/91/70/489279170.db2.gz CHSLUMQYJBPXJB-IRXDYDNUSA-N 1 3 353.511 0.129 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820629 489279171 /nfs/dbraw/zinc/27/91/71/489279171.db2.gz CHSLUMQYJBPXJB-IRXDYDNUSA-N 1 3 353.511 0.129 20 0 FCADHO CN(CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000283613781 489281182 /nfs/dbraw/zinc/28/11/82/489281182.db2.gz QKRVVQJFNGHZHX-UHFFFAOYSA-N 1 3 358.486 0.978 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000370075992 489314138 /nfs/dbraw/zinc/31/41/38/489314138.db2.gz CWOKLWAJEMOTLA-SJLPKXTDSA-N 1 3 368.522 0.992 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000570583405 491251839 /nfs/dbraw/zinc/25/18/39/491251839.db2.gz GSSDUOIKYYNIPC-AEFFLSMTSA-N 1 3 360.502 0.876 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)N(C)C ZINC000299033542 489397780 /nfs/dbraw/zinc/39/77/80/489397780.db2.gz WFCTXZCKCNPILM-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)N(C)C ZINC000299033542 489397784 /nfs/dbraw/zinc/39/77/84/489397784.db2.gz WFCTXZCKCNPILM-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)o1 ZINC000286569247 489405402 /nfs/dbraw/zinc/40/54/02/489405402.db2.gz TVYIYCALJIUOMY-AWEZNQCLSA-N 1 3 352.479 0.935 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363180392 489434247 /nfs/dbraw/zinc/43/42/47/489434247.db2.gz CPMKHRVEPKVRGI-IRXDYDNUSA-N 1 3 354.495 0.338 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363180392 489434250 /nfs/dbraw/zinc/43/42/50/489434250.db2.gz CPMKHRVEPKVRGI-IRXDYDNUSA-N 1 3 354.495 0.338 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363184788 489435196 /nfs/dbraw/zinc/43/51/96/489435196.db2.gz HMPORJDCYUGABY-GJZGRUSLSA-N 1 3 355.479 0.487 20 0 FCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363349948 489455953 /nfs/dbraw/zinc/45/59/53/489455953.db2.gz UARZNGQLXGPSFX-IBGZPJMESA-N 1 3 365.566 0.641 20 0 FCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363349948 489455955 /nfs/dbraw/zinc/45/59/55/489455955.db2.gz UARZNGQLXGPSFX-IBGZPJMESA-N 1 3 365.566 0.641 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371225175 489469034 /nfs/dbraw/zinc/46/90/34/489469034.db2.gz GVOTXSZTIRRPPK-ZWKOTPCHSA-N 1 3 369.554 0.622 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371225175 489469036 /nfs/dbraw/zinc/46/90/36/489469036.db2.gz GVOTXSZTIRRPPK-ZWKOTPCHSA-N 1 3 369.554 0.622 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@]3(F)CCNC3)c2)C1 ZINC000371271461 489472382 /nfs/dbraw/zinc/47/23/82/489472382.db2.gz RATUODGLXANQPZ-APWZRJJASA-N 1 3 362.449 0.702 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@]3(F)CCNC3)c2)C1 ZINC000371271461 489472386 /nfs/dbraw/zinc/47/23/86/489472386.db2.gz RATUODGLXANQPZ-APWZRJJASA-N 1 3 362.449 0.702 20 0 FCADHO CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](c2ccccc2)C1 ZINC000371527940 489486956 /nfs/dbraw/zinc/48/69/56/489486956.db2.gz YQENHUCITYOZGQ-KURKYZTESA-N 1 3 358.486 0.611 20 0 FCADHO CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](c2ccccc2)C1 ZINC000371527944 489486968 /nfs/dbraw/zinc/48/69/68/489486968.db2.gz YQENHUCITYOZGQ-SQNIBIBYSA-N 1 3 358.486 0.611 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423093069 489492769 /nfs/dbraw/zinc/49/27/69/489492769.db2.gz FQKYPWPTDMLKTQ-HUUCEWRRSA-N 1 3 364.465 0.912 20 0 FCADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423154353 489497581 /nfs/dbraw/zinc/49/75/81/489497581.db2.gz OTPNSXLBTCAGLA-SQNIBIBYSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000423161794 489497929 /nfs/dbraw/zinc/49/79/29/489497929.db2.gz JRJIHSKUODYLNP-PBHICJAKSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCCc2ccccc2)CCN(C)C)C1 ZINC000423200509 489501876 /nfs/dbraw/zinc/50/18/76/489501876.db2.gz MGUZJTWOXVTQRI-GOSISDBHSA-N 1 3 360.502 0.830 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423199968 489501960 /nfs/dbraw/zinc/50/19/60/489501960.db2.gz DAFHRJOLMHZECS-HNNXBMFYSA-N 1 3 350.438 0.523 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000423199419 489502354 /nfs/dbraw/zinc/50/23/54/489502354.db2.gz BKEOJJRZHBEFGJ-WMLDXEAASA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000423210827 489502523 /nfs/dbraw/zinc/50/25/23/489502523.db2.gz XRKHAVDDGDMWHA-UHFFFAOYSA-N 1 3 370.444 0.923 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)C1 ZINC000415383403 489516952 /nfs/dbraw/zinc/51/69/52/489516952.db2.gz XUEKCYACTWQHNA-AWEZNQCLSA-N 1 3 366.437 0.915 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000415392945 489517368 /nfs/dbraw/zinc/51/73/68/489517368.db2.gz KJUFQIUAJBTCCL-HNNXBMFYSA-N 1 3 362.474 0.942 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)c2)CC1 ZINC000415406442 489517454 /nfs/dbraw/zinc/51/74/54/489517454.db2.gz DMOVORFIGCFMLH-HNNXBMFYSA-N 1 3 361.490 0.739 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000415392946 489517565 /nfs/dbraw/zinc/51/75/65/489517565.db2.gz KJUFQIUAJBTCCL-OAHLLOKOSA-N 1 3 362.474 0.942 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000415421796 489519241 /nfs/dbraw/zinc/51/92/41/489519241.db2.gz VTUSDSHRFXHQCO-OAHLLOKOSA-N 1 3 361.490 0.568 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000415465635 489522972 /nfs/dbraw/zinc/52/29/72/489522972.db2.gz SKDXSHRJYZLZIH-IUODEOHRSA-N 1 3 366.437 0.900 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415550895 489529163 /nfs/dbraw/zinc/52/91/63/489529163.db2.gz WWIOBVLAHIHKIS-UHFFFAOYSA-N 1 3 364.515 0.894 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)ccc1OCCN(C)C ZINC000415605086 489535714 /nfs/dbraw/zinc/53/57/14/489535714.db2.gz NSNLJZGKFGCMJS-OAHLLOKOSA-N 1 3 364.446 0.060 20 0 FCADHO COC[C@@]1(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CCC[NH2+]1 ZINC000415713167 489544781 /nfs/dbraw/zinc/54/47/81/489544781.db2.gz WLTAKLRXKQMYQK-IBGZPJMESA-N 1 3 362.474 0.880 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000372109115 489545717 /nfs/dbraw/zinc/54/57/17/489545717.db2.gz WSTSRUPKQHGBRB-QGZVFWFLSA-N 1 3 353.507 0.985 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)c(OCCN(C)C)c1 ZINC000415779960 489552746 /nfs/dbraw/zinc/55/27/46/489552746.db2.gz AIBUODMSSQYXQO-CYBMUJFWSA-N 1 3 372.416 0.973 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415867494 489561475 /nfs/dbraw/zinc/56/14/75/489561475.db2.gz PLETWKZTHUPCBB-KRWDZBQOSA-N 1 3 360.458 0.368 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1OCCN(C)C ZINC000415876104 489562791 /nfs/dbraw/zinc/56/27/91/489562791.db2.gz ZTLKZUVPBWKUNU-JKSUJKDBSA-N 1 3 374.485 0.942 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004572 489567413 /nfs/dbraw/zinc/56/74/13/489567413.db2.gz IQPCKTFNZYZUPG-NEPJUHHUSA-N 1 3 367.416 0.508 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426572305 489575425 /nfs/dbraw/zinc/57/54/25/489575425.db2.gz BCVFIFXNOZZMFO-DLBZAZTESA-N 1 3 356.511 0.584 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000563702733 491264460 /nfs/dbraw/zinc/26/44/60/491264460.db2.gz LMJMYCGTFDLKGA-JKSUJKDBSA-N 1 3 350.507 0.990 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000563702733 491264463 /nfs/dbraw/zinc/26/44/63/491264463.db2.gz LMJMYCGTFDLKGA-JKSUJKDBSA-N 1 3 350.507 0.990 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCC[NH2+]CC2)cn1 ZINC000427324339 489602404 /nfs/dbraw/zinc/60/24/04/489602404.db2.gz LNWWPRCYUJQHEN-AWEZNQCLSA-N 1 3 350.467 0.279 20 0 FCADHO CC1CCN(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417021553 489638550 /nfs/dbraw/zinc/63/85/50/489638550.db2.gz UGEYVLYHKAJPAC-AWEZNQCLSA-N 1 3 365.444 0.854 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417012681 489638799 /nfs/dbraw/zinc/63/87/99/489638799.db2.gz ATKHEGADKIBVES-CVEARBPZSA-N 1 3 353.511 0.890 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000417312622 489648026 /nfs/dbraw/zinc/64/80/26/489648026.db2.gz NXYBSWLUVUBRRW-HZPDHXFCSA-N 1 3 353.511 0.603 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000417361658 489649756 /nfs/dbraw/zinc/64/97/56/489649756.db2.gz CXKSQUTXTRCEAV-QGZVFWFLSA-N 1 3 360.506 0.893 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417376504 489650291 /nfs/dbraw/zinc/65/02/91/489650291.db2.gz CDHDLZRVCWJERX-CALCHBBNSA-N 1 3 358.490 0.455 20 0 FCADHO [NH3+]CC[C@@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C(F)F ZINC000417391311 489651096 /nfs/dbraw/zinc/65/10/96/489651096.db2.gz RKOXEJZSBIUWMY-OAHLLOKOSA-N 1 3 370.448 0.875 20 0 FCADHO CCC[C@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418874 489651725 /nfs/dbraw/zinc/65/17/25/489651725.db2.gz BZVVFVIMKPMCAR-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[C@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418874 489651728 /nfs/dbraw/zinc/65/17/28/489651728.db2.gz BZVVFVIMKPMCAR-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417430648 489652559 /nfs/dbraw/zinc/65/25/59/489652559.db2.gz PVWJQFDIGCZKGY-ARFHVFGLSA-N 1 3 353.511 0.840 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417428355 489652840 /nfs/dbraw/zinc/65/28/40/489652840.db2.gz KUTIEIUCGZWVLI-JYJNAYRXSA-N 1 3 353.511 0.746 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000417435422 489653367 /nfs/dbraw/zinc/65/33/67/489653367.db2.gz YODFDOJKDHMHHU-OAGGEKHMSA-N 1 3 353.511 0.555 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000417434026 489653399 /nfs/dbraw/zinc/65/33/99/489653399.db2.gz WJUSOGDLCWSICC-KRWDZBQOSA-N 1 3 367.538 0.960 20 0 FCADHO CCN(CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481885 489656310 /nfs/dbraw/zinc/65/63/10/489656310.db2.gz IEAHMXUNRMZTCE-WBVHZDCISA-N 1 3 365.522 0.761 20 0 FCADHO C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C1CC1 ZINC000417550839 489658264 /nfs/dbraw/zinc/65/82/64/489658264.db2.gz MMTMRQTVZVDOJJ-DGCLKSJQSA-N 1 3 351.417 0.604 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C1CC1 ZINC000417550474 489658426 /nfs/dbraw/zinc/65/84/26/489658426.db2.gz LKJKGYHBTQTEFO-VYDXJSESSA-N 1 3 365.522 0.759 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417572977 489659066 /nfs/dbraw/zinc/65/90/66/489659066.db2.gz ZGIAIILPSDMSQR-INIZCTEOSA-N 1 3 353.511 0.746 20 0 FCADHO [NH3+]C1(CNC(=O)NCCCCN2CCN(CCO)CC2)CCCCCC1 ZINC000417647894 489660318 /nfs/dbraw/zinc/66/03/18/489660318.db2.gz MMRVOHPPOUYTAL-UHFFFAOYSA-N 1 3 369.554 0.727 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417694773 489661857 /nfs/dbraw/zinc/66/18/57/489661857.db2.gz DVUVFEVTGJXBKV-JKSUJKDBSA-N 1 3 353.511 0.747 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1=O ZINC000428956947 489668550 /nfs/dbraw/zinc/66/85/50/489668550.db2.gz ZICALADQDJVLME-MWDXBVQZSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000373120906 489670628 /nfs/dbraw/zinc/67/06/28/489670628.db2.gz HYPLRQFDMBSERY-FGTMMUONSA-N 1 3 351.539 0.994 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000373120906 489670631 /nfs/dbraw/zinc/67/06/31/489670631.db2.gz HYPLRQFDMBSERY-FGTMMUONSA-N 1 3 351.539 0.994 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373128095 489671060 /nfs/dbraw/zinc/67/10/60/489671060.db2.gz YIHDHQAEJMPLNA-IAGOWNOFSA-N 1 3 353.511 0.129 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373128095 489671063 /nfs/dbraw/zinc/67/10/63/489671063.db2.gz YIHDHQAEJMPLNA-IAGOWNOFSA-N 1 3 353.511 0.129 20 0 FCADHO C[C@@H]1[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCN1C ZINC000417993666 489674816 /nfs/dbraw/zinc/67/48/16/489674816.db2.gz AUGGKTLCNGUJIM-JHJVBQTASA-N 1 3 351.417 0.604 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426985 489682910 /nfs/dbraw/zinc/68/29/10/489682910.db2.gz NQXHOUWODYWLCF-CVEARBPZSA-N 1 3 353.511 0.698 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426985 489682912 /nfs/dbraw/zinc/68/29/12/489682912.db2.gz NQXHOUWODYWLCF-CVEARBPZSA-N 1 3 353.511 0.698 20 0 FCADHO C[C@H](NC(=O)NCC(=O)NCCN1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418313588 489691247 /nfs/dbraw/zinc/69/12/47/489691247.db2.gz QQAWTPCTZYPOOD-HOTGVXAUSA-N 1 3 353.511 0.666 20 0 FCADHO COCC[NH2+]CCNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418510786 489703080 /nfs/dbraw/zinc/70/30/80/489703080.db2.gz QCELFCQFAWFPIC-LJQANCHMSA-N 1 3 364.490 0.501 20 0 FCADHO COCC[NH2+]CCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418510785 489703259 /nfs/dbraw/zinc/70/32/59/489703259.db2.gz QCELFCQFAWFPIC-IBGZPJMESA-N 1 3 364.490 0.501 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1CCCOCC1 ZINC000458840025 489705221 /nfs/dbraw/zinc/70/52/21/489705221.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1CCCOCC1 ZINC000458840025 489705225 /nfs/dbraw/zinc/70/52/25/489705225.db2.gz JBTYFPOXCRTKCE-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418558993 489706763 /nfs/dbraw/zinc/70/67/63/489706763.db2.gz CGUAQMJLROPLBY-XEZPLFJOSA-N 1 3 354.401 0.698 20 0 FCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418570861 489707973 /nfs/dbraw/zinc/70/79/73/489707973.db2.gz RBOPWSXULUOPAN-QBIMZIAESA-N 1 3 368.428 0.776 20 0 FCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609333 489709587 /nfs/dbraw/zinc/70/95/87/489709587.db2.gz FHGSIMYPZJSFKB-MCIONIFRSA-N 1 3 365.444 0.804 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418635015 489713202 /nfs/dbraw/zinc/71/32/02/489713202.db2.gz JWVXVZNZPVJKKE-DOTOQJQBSA-N 1 3 359.474 0.370 20 0 FCADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418650924 489715430 /nfs/dbraw/zinc/71/54/30/489715430.db2.gz LDBMIXVWAIJCEY-DOTOQJQBSA-N 1 3 361.490 0.745 20 0 FCADHO CC(C)C[C@H](NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418725767 489720583 /nfs/dbraw/zinc/72/05/83/489720583.db2.gz PAPSWPAOWBRCRW-XHSDSOJGSA-N 1 3 355.527 0.896 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418724677 489720589 /nfs/dbraw/zinc/72/05/89/489720589.db2.gz OLVXTOOWINVUCP-HOTGVXAUSA-N 1 3 353.511 0.700 20 0 FCADHO O=C(CNC(=O)NCCC[C@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000418752267 489721890 /nfs/dbraw/zinc/72/18/90/489721890.db2.gz SUJJSXKDKBEKEC-MRXNPFEDSA-N 1 3 353.511 0.810 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875257 491274200 /nfs/dbraw/zinc/27/42/00/491274200.db2.gz DWZOAWTWKKEHBD-KBPBESRZSA-N 1 3 365.444 0.806 20 0 FCADHO C[C@@](CN)([NH2+]CC(=O)NCC1(N2CCOCC2)CCCCC1)C1CC1 ZINC000430548318 489744498 /nfs/dbraw/zinc/74/44/98/489744498.db2.gz GWPNRUXHWPIHPL-SFHVURJKSA-N 1 3 352.523 0.855 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831555 489744902 /nfs/dbraw/zinc/74/49/02/489744902.db2.gz GPXDHIYLAHGEAY-QZTJIDSGSA-N 1 3 360.502 0.909 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000418848347 489754164 /nfs/dbraw/zinc/75/41/64/489754164.db2.gz LHEGOOIXBLBXSZ-KBAYOESNSA-N 1 3 360.502 0.719 20 0 FCADHO CCCN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000418847503 489754390 /nfs/dbraw/zinc/75/43/90/489754390.db2.gz JIGMNVRWOOVKLO-ZWKOTPCHSA-N 1 3 360.502 0.876 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000418852888 489757849 /nfs/dbraw/zinc/75/78/49/489757849.db2.gz RPAVESAJZHCBJW-YJBOKZPZSA-N 1 3 360.502 0.861 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418854945 489758315 /nfs/dbraw/zinc/75/83/15/489758315.db2.gz CJWGTVVGHIWCFU-INIZCTEOSA-N 1 3 367.538 0.025 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863668 489763175 /nfs/dbraw/zinc/76/31/75/489763175.db2.gz BSKTVWOOLJJVFL-HOTGVXAUSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418873650 489768933 /nfs/dbraw/zinc/76/89/33/489768933.db2.gz IICKKEGSKJTALY-KSZLIROESA-N 1 3 358.486 0.343 20 0 FCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418879241 489772315 /nfs/dbraw/zinc/77/23/15/489772315.db2.gz NBPPYUVYEWNUJN-MSOLQXFVSA-N 1 3 374.485 0.209 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N(C)CCN(C)C)C2)CC1 ZINC000459895188 489784121 /nfs/dbraw/zinc/78/41/21/489784121.db2.gz KBVGUNRUOCEHKZ-QGZVFWFLSA-N 1 3 352.523 0.977 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067457 491283780 /nfs/dbraw/zinc/28/37/80/491283780.db2.gz UBAJBRALYUBXDA-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000491091236 489795287 /nfs/dbraw/zinc/79/52/87/489795287.db2.gz OFKQYBBDVKKMKF-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000491091236 489795293 /nfs/dbraw/zinc/79/52/93/489795293.db2.gz OFKQYBBDVKKMKF-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)Cc1ccccc1 ZINC000418936044 489796085 /nfs/dbraw/zinc/79/60/85/489796085.db2.gz BECSEQNJZOJAOM-RDJZCZTQSA-N 1 3 362.474 0.118 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000418954180 489803628 /nfs/dbraw/zinc/80/36/28/489803628.db2.gz WCHCMXMXVWZJGG-UZLBHIALSA-N 1 3 358.486 0.835 20 0 FCADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418970502 489807221 /nfs/dbraw/zinc/80/72/21/489807221.db2.gz WPDNYQFLUFMTQT-KRWDZBQOSA-N 1 3 374.485 0.646 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067459 491283678 /nfs/dbraw/zinc/28/36/78/491283678.db2.gz UBAJBRALYUBXDA-PMPSAXMXSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067459 491283679 /nfs/dbraw/zinc/28/36/79/491283679.db2.gz UBAJBRALYUBXDA-PMPSAXMXSA-N 1 3 350.507 0.824 20 0 FCADHO C[N@H+](CCCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C1CC1 ZINC000418986971 489811677 /nfs/dbraw/zinc/81/16/77/489811677.db2.gz GUEQDWDUQVTKKF-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO C[N@@H+](CCCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C1CC1 ZINC000418986971 489811679 /nfs/dbraw/zinc/81/16/79/489811679.db2.gz GUEQDWDUQVTKKF-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000418994791 489812101 /nfs/dbraw/zinc/81/21/01/489812101.db2.gz IEHVYAXGFLQEOA-ZWKOTPCHSA-N 1 3 358.486 0.932 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000460008857 489817331 /nfs/dbraw/zinc/81/73/31/489817331.db2.gz FPRXVYITGAPVJF-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000460008857 489817332 /nfs/dbraw/zinc/81/73/32/489817332.db2.gz FPRXVYITGAPVJF-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017985 489819742 /nfs/dbraw/zinc/81/97/42/489819742.db2.gz BHSZMFPBYBNCPS-OWCLPIDISA-N 1 3 350.507 0.895 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419037522 489829014 /nfs/dbraw/zinc/82/90/14/489829014.db2.gz DCEMTFZFIPPXLN-DOTOQJQBSA-N 1 3 368.522 0.626 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419048262 489834160 /nfs/dbraw/zinc/83/41/60/489834160.db2.gz ZTPANSSDRZAOPQ-KRWDZBQOSA-N 1 3 368.522 0.626 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419073856 489846476 /nfs/dbraw/zinc/84/64/76/489846476.db2.gz CXUKXUBKWHPTPE-OWCLPIDISA-N 1 3 354.495 0.332 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551377 489846945 /nfs/dbraw/zinc/84/69/45/489846945.db2.gz DVFYTWLHHGYPQK-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551377 489846949 /nfs/dbraw/zinc/84/69/49/489846949.db2.gz DVFYTWLHHGYPQK-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])c1cccc(OC)c1 ZINC000419087227 489851276 /nfs/dbraw/zinc/85/12/76/489851276.db2.gz ZHFCPEXEQWYIJH-INIZCTEOSA-N 1 3 350.463 0.611 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067457 491283778 /nfs/dbraw/zinc/28/37/78/491283778.db2.gz UBAJBRALYUBXDA-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419119975 489864013 /nfs/dbraw/zinc/86/40/13/489864013.db2.gz KRGFOBOWCCYDNU-YYIAUSFCSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419119974 489864305 /nfs/dbraw/zinc/86/43/05/489864305.db2.gz KRGFOBOWCCYDNU-TWMKSMIVSA-N 1 3 350.507 0.953 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000419123040 489867045 /nfs/dbraw/zinc/86/70/45/489867045.db2.gz OUWLTDWGQWUZJW-ARFHVFGLSA-N 1 3 354.495 0.332 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000494127614 489870554 /nfs/dbraw/zinc/87/05/54/489870554.db2.gz MVFGGHJBJIWZLS-CALCHBBNSA-N 1 3 363.506 0.967 20 0 FCADHO COCCN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433336341 489876399 /nfs/dbraw/zinc/87/63/99/489876399.db2.gz PEUONBILSQUFFT-INIZCTEOSA-N 1 3 356.511 0.897 20 0 FCADHO COCCN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433336341 489876403 /nfs/dbraw/zinc/87/64/03/489876403.db2.gz PEUONBILSQUFFT-INIZCTEOSA-N 1 3 356.511 0.897 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)NCC2CC[NH+](CCO)CC2)CCCO1 ZINC000433333332 489876849 /nfs/dbraw/zinc/87/68/49/489876849.db2.gz GFPBCKCRVYCUHB-MRXNPFEDSA-N 1 3 356.511 0.491 20 0 FCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420003600 489878501 /nfs/dbraw/zinc/87/85/01/489878501.db2.gz TVFFUURMZFUZRK-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420012149 489880743 /nfs/dbraw/zinc/88/07/43/489880743.db2.gz ASVSPJZLRJOMGV-VNHYZAJKSA-N 1 3 354.495 0.404 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420012151 489880816 /nfs/dbraw/zinc/88/08/16/489880816.db2.gz ASVSPJZLRJOMGV-YDHLFZDLSA-N 1 3 354.495 0.404 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000420015456 489881740 /nfs/dbraw/zinc/88/17/40/489881740.db2.gz QJDCRBCZRJNIBT-MRXNPFEDSA-N 1 3 358.486 0.965 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000420015456 489881742 /nfs/dbraw/zinc/88/17/42/489881742.db2.gz QJDCRBCZRJNIBT-MRXNPFEDSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420032565 489887325 /nfs/dbraw/zinc/88/73/25/489887325.db2.gz MZOAMIOUYKMFPQ-INIZCTEOSA-N 1 3 350.438 0.569 20 0 FCADHO C[C@H]1C[C@H](CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000564045417 491285446 /nfs/dbraw/zinc/28/54/46/491285446.db2.gz XFHIQTKMFONIGT-JKSUJKDBSA-N 1 3 356.511 0.260 20 0 FCADHO C[C@@H]1C[C@H](CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000564045416 491285544 /nfs/dbraw/zinc/28/55/44/491285544.db2.gz XFHIQTKMFONIGT-HZPDHXFCSA-N 1 3 356.511 0.260 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420050586 489893646 /nfs/dbraw/zinc/89/36/46/489893646.db2.gz ZEJJDIAAOQADSN-ILXRZTDVSA-N 1 3 354.495 0.406 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420050586 489893647 /nfs/dbraw/zinc/89/36/47/489893647.db2.gz ZEJJDIAAOQADSN-ILXRZTDVSA-N 1 3 354.495 0.406 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064849 489900187 /nfs/dbraw/zinc/90/01/87/489900187.db2.gz OYHFQPWENXRXNK-HOCLYGCPSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000461520757 489916208 /nfs/dbraw/zinc/91/62/08/489916208.db2.gz PPMKCMDOOPSQPF-QGZVFWFLSA-N 1 3 353.467 0.134 20 0 FCADHO CN(C)CCOc1cnccc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000461524219 489916509 /nfs/dbraw/zinc/91/65/09/489916509.db2.gz PZKDWESNJRSUPD-UHFFFAOYSA-N 1 3 358.446 0.750 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000377561348 489920900 /nfs/dbraw/zinc/92/09/00/489920900.db2.gz HHCINSWSKJRTPU-BYCMXARLSA-N 1 3 355.385 0.807 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171089 489939054 /nfs/dbraw/zinc/93/90/54/489939054.db2.gz SRQNCPXIIJNIPU-PMPSAXMXSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420190733 489946863 /nfs/dbraw/zinc/94/68/63/489946863.db2.gz HFVZSZAEUWAMBK-GOEBONIOSA-N 1 3 364.465 0.960 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420197106 489948748 /nfs/dbraw/zinc/94/87/48/489948748.db2.gz LGEGIWSBHKPXRL-YOEHRIQHSA-N 1 3 364.465 0.960 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000462003297 489949623 /nfs/dbraw/zinc/94/96/23/489949623.db2.gz OHVRGOGGLBKJEV-INIZCTEOSA-N 1 3 355.527 0.911 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000462003297 489949626 /nfs/dbraw/zinc/94/96/26/489949626.db2.gz OHVRGOGGLBKJEV-INIZCTEOSA-N 1 3 355.527 0.911 20 0 FCADHO COc1cccc(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556050071 491291269 /nfs/dbraw/zinc/29/12/69/491291269.db2.gz PBCAWFAGIJLCRI-UHFFFAOYSA-N 1 3 350.463 0.894 20 0 FCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420329683 489963675 /nfs/dbraw/zinc/96/36/75/489963675.db2.gz HCRJKFGCYMWDFK-BETUJISGSA-N 1 3 360.414 0.995 20 0 FCADHO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](CN)C1 ZINC000420341759 489964577 /nfs/dbraw/zinc/96/45/77/489964577.db2.gz QDWZOUCXDOAAMR-OCCSQVGLSA-N 1 3 354.476 0.722 20 0 FCADHO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](CN)C1 ZINC000420341759 489964580 /nfs/dbraw/zinc/96/45/80/489964580.db2.gz QDWZOUCXDOAAMR-OCCSQVGLSA-N 1 3 354.476 0.722 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(OC)CCOC1 ZINC000462325047 489969330 /nfs/dbraw/zinc/96/93/30/489969330.db2.gz FAMSTINVMFWLCM-AEFFLSMTSA-N 1 3 356.511 0.849 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(OC)CCOC1 ZINC000462325047 489969333 /nfs/dbraw/zinc/96/93/33/489969333.db2.gz FAMSTINVMFWLCM-AEFFLSMTSA-N 1 3 356.511 0.849 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374767 489970034 /nfs/dbraw/zinc/97/00/34/489970034.db2.gz SJLIKEXXHAEMSI-ROUUACIJSA-N 1 3 354.539 0.957 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@@H](CN)C2CCCCC2)C1 ZINC000420374767 489970037 /nfs/dbraw/zinc/97/00/37/489970037.db2.gz SJLIKEXXHAEMSI-ROUUACIJSA-N 1 3 354.539 0.957 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000420411376 489973540 /nfs/dbraw/zinc/97/35/40/489973540.db2.gz BVVQWIHKXHJIJX-SWLSCSKDSA-N 1 3 357.524 0.728 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@@H]1C ZINC000477615632 489977423 /nfs/dbraw/zinc/97/74/23/489977423.db2.gz MGSYMNGTUXZSSM-RDJZCZTQSA-N 1 3 368.522 0.545 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@@H]1C ZINC000477615632 489977426 /nfs/dbraw/zinc/97/74/26/489977426.db2.gz MGSYMNGTUXZSSM-RDJZCZTQSA-N 1 3 368.522 0.545 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000477616744 489977763 /nfs/dbraw/zinc/97/77/63/489977763.db2.gz OTTNVUBIVSUKCH-QGZVFWFLSA-N 1 3 366.506 0.300 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000477654488 489982456 /nfs/dbraw/zinc/98/24/56/489982456.db2.gz UATLTQMLUIZUNC-UHFFFAOYSA-N 1 3 366.506 0.204 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973308 490034539 /nfs/dbraw/zinc/03/45/39/490034539.db2.gz YUWQNSPDXAHITC-LSDHHAIUSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973308 490034544 /nfs/dbraw/zinc/03/45/44/490034544.db2.gz YUWQNSPDXAHITC-LSDHHAIUSA-N 1 3 351.499 0.934 20 0 FCADHO CCOC(=O)[C@](C)(O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000519782631 490082645 /nfs/dbraw/zinc/08/26/45/490082645.db2.gz UWRMJBXQLQLNKN-LJQANCHMSA-N 1 3 369.506 0.613 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000545171077 490090437 /nfs/dbraw/zinc/09/04/37/490090437.db2.gz GRWWPKIHEPFEEK-HXUWFJFHSA-N 1 3 374.485 0.446 20 0 FCADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000465175556 490091170 /nfs/dbraw/zinc/09/11/70/490091170.db2.gz BJAPDTFLRUMRKV-QZTJIDSGSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000465175556 490091174 /nfs/dbraw/zinc/09/11/74/490091174.db2.gz BJAPDTFLRUMRKV-QZTJIDSGSA-N 1 3 369.554 0.404 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000532672972 490094229 /nfs/dbraw/zinc/09/42/29/490094229.db2.gz BMEMFSPZFHJIBP-OALUTQOASA-N 1 3 366.550 0.898 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704358 490099830 /nfs/dbraw/zinc/09/98/30/490099830.db2.gz ONVJOJNPFVUNIT-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704358 490099834 /nfs/dbraw/zinc/09/98/34/490099834.db2.gz ONVJOJNPFVUNIT-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000496365781 490116338 /nfs/dbraw/zinc/11/63/38/490116338.db2.gz UWHFMZVYEMRNJV-OAHLLOKOSA-N 1 3 369.554 0.221 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000520237187 490121893 /nfs/dbraw/zinc/12/18/93/490121893.db2.gz VVUZUHIGPMZHEL-UHFFFAOYSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCNCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677478 490125320 /nfs/dbraw/zinc/12/53/20/490125320.db2.gz CPIQACGNTQKIFU-SJLPKXTDSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCNCC2)CC[N@H+]1Cc1ccccc1 ZINC000379677478 490125328 /nfs/dbraw/zinc/12/53/28/490125328.db2.gz CPIQACGNTQKIFU-SJLPKXTDSA-N 1 3 358.486 0.978 20 0 FCADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)CC1 ZINC000422023512 490127518 /nfs/dbraw/zinc/12/75/18/490127518.db2.gz PNLZWYZMVLTMAR-LJQANCHMSA-N 1 3 363.550 0.395 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000388418554 490133640 /nfs/dbraw/zinc/13/36/40/490133640.db2.gz PNLAMYCECOIYHD-SFHVURJKSA-N 1 3 358.486 0.837 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000388418554 490133647 /nfs/dbraw/zinc/13/36/47/490133647.db2.gz PNLAMYCECOIYHD-SFHVURJKSA-N 1 3 358.486 0.837 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000556205755 491302975 /nfs/dbraw/zinc/30/29/75/491302975.db2.gz IONDSYQECYFYLY-KRWDZBQOSA-N 1 3 358.552 0.730 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556206280 491303124 /nfs/dbraw/zinc/30/31/24/491303124.db2.gz KPVHDOFIVGXRDC-PBHICJAKSA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCSC1 ZINC000556206671 491303143 /nfs/dbraw/zinc/30/31/43/491303143.db2.gz MMWDZTNIHAESQE-KRWDZBQOSA-N 1 3 356.536 0.340 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272729 490156090 /nfs/dbraw/zinc/15/60/90/490156090.db2.gz UKNIZEZYJWMKSY-NXEZDXNNSA-N 1 3 366.506 0.223 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272729 490156096 /nfs/dbraw/zinc/15/60/96/490156096.db2.gz UKNIZEZYJWMKSY-NXEZDXNNSA-N 1 3 366.506 0.223 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548749 490160321 /nfs/dbraw/zinc/16/03/21/490160321.db2.gz OQBMPWGFOFTFRY-QWHCGFSZSA-N 1 3 351.417 0.558 20 0 FCADHO C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000466150860 490168097 /nfs/dbraw/zinc/16/80/97/490168097.db2.gz VTVPNENVIHECQU-QGZVFWFLSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)CN1CCN(C)CC1 ZINC000466133538 490168207 /nfs/dbraw/zinc/16/82/07/490168207.db2.gz FJOSIPNAJHNOHG-KRWDZBQOSA-N 1 3 369.554 0.358 20 0 FCADHO C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)CN1CCN(C)CC1 ZINC000466133538 490168209 /nfs/dbraw/zinc/16/82/09/490168209.db2.gz FJOSIPNAJHNOHG-KRWDZBQOSA-N 1 3 369.554 0.358 20 0 FCADHO Cc1ncsc1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000571381813 491304341 /nfs/dbraw/zinc/30/43/41/491304341.db2.gz GZSBNHUZCOGLRV-UHFFFAOYSA-N 1 3 355.508 0.362 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401116 491305234 /nfs/dbraw/zinc/30/52/34/491305234.db2.gz PYNVTMUBRWYQIF-AEFFLSMTSA-N 1 3 362.522 0.811 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000480338152 490181426 /nfs/dbraw/zinc/18/14/26/490181426.db2.gz RMOQLLLQYHHGEY-UHFFFAOYSA-N 1 3 357.524 0.824 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502802 490192217 /nfs/dbraw/zinc/19/22/17/490192217.db2.gz ITYJZFQYAVVRTE-YCPHGPKFSA-N 1 3 351.495 0.356 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502802 490192223 /nfs/dbraw/zinc/19/22/23/490192223.db2.gz ITYJZFQYAVVRTE-YCPHGPKFSA-N 1 3 351.495 0.356 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577742 490196584 /nfs/dbraw/zinc/19/65/84/490196584.db2.gz YXKQFOULKVCNRR-AEFFLSMTSA-N 1 3 367.538 0.158 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577742 490196594 /nfs/dbraw/zinc/19/65/94/490196594.db2.gz YXKQFOULKVCNRR-AEFFLSMTSA-N 1 3 367.538 0.158 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000520852550 490199700 /nfs/dbraw/zinc/19/97/00/490199700.db2.gz TUJWHAOBUIMUIG-INIZCTEOSA-N 1 3 368.522 0.452 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000521070738 490222155 /nfs/dbraw/zinc/22/21/55/490222155.db2.gz GSCOBVDBKIHRMZ-ZNMIVQPWSA-N 1 3 354.495 0.452 20 0 FCADHO CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)[NH+](C)C)cc1 ZINC000521272696 490244135 /nfs/dbraw/zinc/24/41/35/490244135.db2.gz FGGVEGOPALKRSV-BZSNNMDCSA-N 1 3 373.501 0.805 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H](C)C1 ZINC000556363875 491312302 /nfs/dbraw/zinc/31/23/02/491312302.db2.gz PFEXHRSEBZDBNB-VQHPVUNQSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](C)C1 ZINC000556363875 491312303 /nfs/dbraw/zinc/31/23/03/491312303.db2.gz PFEXHRSEBZDBNB-VQHPVUNQSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H]1C ZINC000521591432 490278228 /nfs/dbraw/zinc/27/82/28/490278228.db2.gz WMCFDJGNHLLYBW-MGLUKCQKSA-N 1 3 351.495 0.462 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000521624436 490283352 /nfs/dbraw/zinc/28/33/52/490283352.db2.gz AQMACGHOJGIEOJ-GJZGRUSLSA-N 1 3 355.508 0.292 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000521875335 490306378 /nfs/dbraw/zinc/30/63/78/490306378.db2.gz ZTQHVQOESDPLJN-QWHCGFSZSA-N 1 3 350.467 0.720 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000521875336 490306607 /nfs/dbraw/zinc/30/66/07/490306607.db2.gz ZTQHVQOESDPLJN-STQMWFEESA-N 1 3 350.467 0.720 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1(C)C ZINC000483423209 490317422 /nfs/dbraw/zinc/31/74/22/490317422.db2.gz XXXAAOWJVMESBP-JKSUJKDBSA-N 1 3 367.538 0.118 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[C@@H]2C)CC1=O ZINC000498725949 490332543 /nfs/dbraw/zinc/33/25/43/490332543.db2.gz KTZRZPPJPYXVJH-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[C@@H]2C)CC1=O ZINC000498725949 490332546 /nfs/dbraw/zinc/33/25/46/490332546.db2.gz KTZRZPPJPYXVJH-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436508 490349762 /nfs/dbraw/zinc/34/97/62/490349762.db2.gz NLNNTGNYNIKZIR-DLBZAZTESA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436508 490349769 /nfs/dbraw/zinc/34/97/69/490349769.db2.gz NLNNTGNYNIKZIR-DLBZAZTESA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436509 490351374 /nfs/dbraw/zinc/35/13/74/490351374.db2.gz NLNNTGNYNIKZIR-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436509 490351380 /nfs/dbraw/zinc/35/13/80/490351380.db2.gz NLNNTGNYNIKZIR-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000422488600 490355403 /nfs/dbraw/zinc/35/54/03/490355403.db2.gz KLJPAZMQVBZIRT-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000422488600 490355409 /nfs/dbraw/zinc/35/54/09/490355409.db2.gz KLJPAZMQVBZIRT-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000522267921 490364432 /nfs/dbraw/zinc/36/44/32/490364432.db2.gz YCAMANUAMNZPHW-GOSISDBHSA-N 1 3 369.554 0.406 20 0 FCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000522267921 490364436 /nfs/dbraw/zinc/36/44/36/490364436.db2.gz YCAMANUAMNZPHW-GOSISDBHSA-N 1 3 369.554 0.406 20 0 FCADHO C[C@H](O)C[C@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000468090419 490365565 /nfs/dbraw/zinc/36/55/65/490365565.db2.gz UTLIYHQVYRDVRJ-YJBOKZPZSA-N 1 3 368.522 0.726 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCCCC1 ZINC000571658701 491321112 /nfs/dbraw/zinc/32/11/12/491321112.db2.gz QKTIBQCJGQATMK-CABCVRRESA-N 1 3 351.495 0.594 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739113 491324065 /nfs/dbraw/zinc/32/40/65/491324065.db2.gz BHGVUVJPFWASBD-KZNAEPCWSA-N 1 3 371.485 0.462 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739113 491324067 /nfs/dbraw/zinc/32/40/67/491324067.db2.gz BHGVUVJPFWASBD-KZNAEPCWSA-N 1 3 371.485 0.462 20 0 FCADHO COCCN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000523000981 490426636 /nfs/dbraw/zinc/42/66/36/490426636.db2.gz HSUTUFDXEWQODO-MRXNPFEDSA-N 1 3 368.522 0.897 20 0 FCADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422625605 490433806 /nfs/dbraw/zinc/43/38/06/490433806.db2.gz BXFIQYAPNBTENS-HZSPNIEDSA-N 1 3 368.503 0.968 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523209567 490448920 /nfs/dbraw/zinc/44/89/20/490448920.db2.gz PIOZWNRWZLCFEX-NVXWUHKLSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000523209567 490448925 /nfs/dbraw/zinc/44/89/25/490448925.db2.gz PIOZWNRWZLCFEX-NVXWUHKLSA-N 1 3 365.522 0.713 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210428 490449451 /nfs/dbraw/zinc/44/94/51/490449451.db2.gz ZEQABIPVQIVJFW-DLBZAZTESA-N 1 3 367.538 0.959 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210428 490449458 /nfs/dbraw/zinc/44/94/58/490449458.db2.gz ZEQABIPVQIVJFW-DLBZAZTESA-N 1 3 367.538 0.959 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000509721001 490456026 /nfs/dbraw/zinc/45/60/26/490456026.db2.gz LWWNFBGBFMEOIY-OAHLLOKOSA-N 1 3 356.511 0.260 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000509832393 490469241 /nfs/dbraw/zinc/46/92/41/490469241.db2.gz DIWHCIVBOKVQEX-ZDUSSCGKSA-N 1 3 363.462 0.582 20 0 FCADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770984 490473900 /nfs/dbraw/zinc/47/39/00/490473900.db2.gz QYTRATFOQSVSFY-WBVHZDCISA-N 1 3 353.488 0.925 20 0 FCADHO CCOC(=O)C1([C@@H](C)N[C@@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846243 490485097 /nfs/dbraw/zinc/48/50/97/490485097.db2.gz FEPIQQFWRBHWFS-CABCVRRESA-N 1 3 355.479 0.535 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000500432066 490515242 /nfs/dbraw/zinc/51/52/42/490515242.db2.gz MSHHIOOFCUONFW-QGZVFWFLSA-N 1 3 360.502 0.876 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423058768 490531853 /nfs/dbraw/zinc/53/18/53/490531853.db2.gz DBFSJMDBSCTCHT-IRXDYDNUSA-N 1 3 352.523 0.881 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[C@H](C)C2)CC1=O ZINC000524775069 490559352 /nfs/dbraw/zinc/55/93/52/490559352.db2.gz OPVKVPMXPHTFRL-GVDBMIGSSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[C@H](C)C2)CC1=O ZINC000524775069 490559356 /nfs/dbraw/zinc/55/93/56/490559356.db2.gz OPVKVPMXPHTFRL-GVDBMIGSSA-N 1 3 350.507 0.777 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000524858401 490565466 /nfs/dbraw/zinc/56/54/66/490565466.db2.gz GETGWUIGXZPVPO-CVEARBPZSA-N 1 3 351.495 0.454 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000524858401 490565470 /nfs/dbraw/zinc/56/54/70/490565470.db2.gz GETGWUIGXZPVPO-CVEARBPZSA-N 1 3 351.495 0.454 20 0 FCADHO COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000571908235 491336774 /nfs/dbraw/zinc/33/67/74/491336774.db2.gz XEPJPRCCMHLLRK-INIZCTEOSA-N 1 3 368.522 0.992 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](COC(F)F)C1 ZINC000556795378 491337245 /nfs/dbraw/zinc/33/72/45/491337245.db2.gz LWGWOSYAQOCJJP-CYBMUJFWSA-N 1 3 364.437 0.026 20 0 FCADHO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410161 490592185 /nfs/dbraw/zinc/59/21/85/490592185.db2.gz MYOZHKNERLXMCI-ZBFHGGJFSA-N 1 3 351.495 0.523 20 0 FCADHO C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410161 490592186 /nfs/dbraw/zinc/59/21/86/490592186.db2.gz MYOZHKNERLXMCI-ZBFHGGJFSA-N 1 3 351.495 0.523 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958135 491339926 /nfs/dbraw/zinc/33/99/26/491339926.db2.gz JARNTSJVCMFVDJ-WMLDXEAASA-N 1 3 362.474 0.769 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000525686431 490618243 /nfs/dbraw/zinc/61/82/43/490618243.db2.gz SZRHUYZBNLEVKQ-IBGZPJMESA-N 1 3 365.566 0.687 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589252 490619390 /nfs/dbraw/zinc/61/93/90/490619390.db2.gz ODWZRGRNOLICRE-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO CN(C)[C@@H](CNC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001200 491342146 /nfs/dbraw/zinc/34/21/46/491342146.db2.gz BEWWFQKTKXAEDV-MOPGFXCFSA-N 1 3 359.518 0.385 20 0 FCADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000572027073 491343800 /nfs/dbraw/zinc/34/38/00/491343800.db2.gz XCEHQFYMKZAOAF-WAOWUJCRSA-N 1 3 370.497 0.884 20 0 FCADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000572027073 491343803 /nfs/dbraw/zinc/34/38/03/491343803.db2.gz XCEHQFYMKZAOAF-WAOWUJCRSA-N 1 3 370.497 0.884 20 0 FCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)N1CCC(C)CC1 ZINC000512243114 490666454 /nfs/dbraw/zinc/66/64/54/490666454.db2.gz OIMGMMIDDHCYBB-GOSISDBHSA-N 1 3 354.539 0.613 20 0 FCADHO NC(=O)[C@H](NCCCC[NH+]1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000512240457 490666763 /nfs/dbraw/zinc/66/67/63/490666763.db2.gz AUPBREVYUZTRTI-QGZVFWFLSA-N 1 3 352.454 0.332 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000526169836 490679597 /nfs/dbraw/zinc/67/95/97/490679597.db2.gz HRNGAWUENQFLEQ-UHFFFAOYSA-N 1 3 357.480 0.291 20 0 FCADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512806733 490699858 /nfs/dbraw/zinc/69/98/58/490699858.db2.gz AVXBKCGWPWZIBG-QGZVFWFLSA-N 1 3 355.527 0.112 20 0 FCADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512806733 490699861 /nfs/dbraw/zinc/69/98/61/490699861.db2.gz AVXBKCGWPWZIBG-QGZVFWFLSA-N 1 3 355.527 0.112 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000527126997 490701085 /nfs/dbraw/zinc/70/10/85/490701085.db2.gz NJBAONGRLSWGDD-UHFFFAOYSA-N 1 3 357.480 0.442 20 0 FCADHO CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000512851479 490702135 /nfs/dbraw/zinc/70/21/35/490702135.db2.gz JPXQRCVYYBRBOR-SFHVURJKSA-N 1 3 367.538 0.255 20 0 FCADHO CN(C(=O)NCCCCN1CCN(CCO)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000512851479 490702137 /nfs/dbraw/zinc/70/21/37/490702137.db2.gz JPXQRCVYYBRBOR-SFHVURJKSA-N 1 3 367.538 0.255 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747368 490728475 /nfs/dbraw/zinc/72/84/75/490728475.db2.gz GETUXCZSQYADEX-HNNXBMFYSA-N 1 3 362.540 0.142 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747368 490728479 /nfs/dbraw/zinc/72/84/79/490728479.db2.gz GETUXCZSQYADEX-HNNXBMFYSA-N 1 3 362.540 0.142 20 0 FCADHO CCOC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527723506 490755077 /nfs/dbraw/zinc/75/50/77/490755077.db2.gz BMFRKNYPLDDLTH-GOSISDBHSA-N 1 3 368.522 0.992 20 0 FCADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000514798274 490788932 /nfs/dbraw/zinc/78/89/32/490788932.db2.gz ILYZSJCTTYOMMS-SPUZQDLCSA-N 1 3 371.485 0.775 20 0 FCADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000514798274 490788934 /nfs/dbraw/zinc/78/89/34/490788934.db2.gz ILYZSJCTTYOMMS-SPUZQDLCSA-N 1 3 371.485 0.775 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@@H+](C)C(C)C ZINC000540051789 490806648 /nfs/dbraw/zinc/80/66/48/490806648.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 1 3 358.552 0.727 20 0 FCADHO CC(C)N(C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000540051789 490806649 /nfs/dbraw/zinc/80/66/49/490806649.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 1 3 358.552 0.727 20 0 FCADHO CC(C)N(C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000540051789 490806651 /nfs/dbraw/zinc/80/66/51/490806651.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 1 3 358.552 0.727 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@H+](C)C(C)C ZINC000540051789 490806645 /nfs/dbraw/zinc/80/66/45/490806645.db2.gz RJJPHNZRGSRMPY-OAHLLOKOSA-N 1 3 358.552 0.727 20 0 FCADHO CCc1nn(C)c(OC)c1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000540084499 490807819 /nfs/dbraw/zinc/80/78/19/490807819.db2.gz LMVNODDPDZKUNL-UHFFFAOYSA-N 1 3 354.499 0.626 20 0 FCADHO CCN1C[C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000565213965 491360739 /nfs/dbraw/zinc/36/07/39/491360739.db2.gz OSZTUEJWTYLNTI-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000516059002 490848230 /nfs/dbraw/zinc/84/82/30/490848230.db2.gz VGRVPYWDAUHJMN-CQSZACIVSA-N 1 3 352.483 0.524 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCO1 ZINC000516207286 490856918 /nfs/dbraw/zinc/85/69/18/490856918.db2.gz MSHUZCGXGSYJKD-DLBZAZTESA-N 1 3 366.506 0.300 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCO1 ZINC000516207286 490856920 /nfs/dbraw/zinc/85/69/20/490856920.db2.gz MSHUZCGXGSYJKD-DLBZAZTESA-N 1 3 366.506 0.300 20 0 FCADHO CN1CC[NH+](CC2(C)CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)CC1 ZINC000541809489 490872791 /nfs/dbraw/zinc/87/27/91/490872791.db2.gz IUTCDJAVNCAWGY-SFHVURJKSA-N 1 3 363.550 0.252 20 0 FCADHO COc1cc(C(N)=O)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000516910729 490884558 /nfs/dbraw/zinc/88/45/58/490884558.db2.gz DSCDZONBAYQCLY-UHFFFAOYSA-N 1 3 351.451 0.751 20 0 FCADHO COCCCN1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000516966749 490888135 /nfs/dbraw/zinc/88/81/35/490888135.db2.gz CAEAVZOCIKBNAQ-HNNXBMFYSA-N 1 3 350.467 0.261 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000531119220 490941701 /nfs/dbraw/zinc/94/17/01/490941701.db2.gz ZHPXRPYLJKMSPA-UHFFFAOYSA-N 1 3 370.457 0.741 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000543750915 490944798 /nfs/dbraw/zinc/94/47/98/490944798.db2.gz ILAZHLACKKYJGD-INIZCTEOSA-N 1 3 365.522 0.832 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543750915 490944800 /nfs/dbraw/zinc/94/48/00/490944800.db2.gz ILAZHLACKKYJGD-INIZCTEOSA-N 1 3 365.522 0.832 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000531357549 490953447 /nfs/dbraw/zinc/95/34/47/490953447.db2.gz ZCANWJZJKSKQTK-UHFFFAOYSA-N 1 3 362.540 0.144 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000519369880 490970081 /nfs/dbraw/zinc/97/00/81/490970081.db2.gz GFEFYDHPNGYFIW-MRXNPFEDSA-N 1 3 368.522 0.404 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000519597138 490978421 /nfs/dbraw/zinc/97/84/21/490978421.db2.gz DVTOAEFOBWOSPH-SFHVURJKSA-N 1 3 358.486 0.886 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561013 491383319 /nfs/dbraw/zinc/38/33/19/491383319.db2.gz DNQPPJJBSLNGMW-GDBMZVCRSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561013 491383320 /nfs/dbraw/zinc/38/33/20/491383320.db2.gz DNQPPJJBSLNGMW-GDBMZVCRSA-N 1 3 354.495 0.155 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCC1CC[NH2+]CC1 ZINC000565941578 491408081 /nfs/dbraw/zinc/40/80/81/491408081.db2.gz UIOFYCFKXTVQRP-UHFFFAOYSA-N 1 3 358.486 0.667 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000573074873 491410786 /nfs/dbraw/zinc/41/07/86/491410786.db2.gz GOBNSRWCTWKXCG-UHFFFAOYSA-N 1 3 370.563 0.970 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573132129 491414993 /nfs/dbraw/zinc/41/49/93/491414993.db2.gz JHCKLDIBWYBRIU-IRXDYDNUSA-N 1 3 366.506 0.033 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495092 491448549 /nfs/dbraw/zinc/44/85/49/491448549.db2.gz COOIKVBYPBQRNU-FUHWJXTLSA-N 1 3 356.470 0.613 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496569 491448850 /nfs/dbraw/zinc/44/88/50/491448850.db2.gz SAUHAULPYJQSRS-OKZBNKHCSA-N 1 3 356.470 0.669 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496569 491448852 /nfs/dbraw/zinc/44/88/52/491448852.db2.gz SAUHAULPYJQSRS-OKZBNKHCSA-N 1 3 356.470 0.669 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000559382655 491468949 /nfs/dbraw/zinc/46/89/49/491468949.db2.gz BBFTUZJIFFAUGQ-UHFFFAOYSA-N 1 3 356.511 0.404 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911778 491474473 /nfs/dbraw/zinc/47/44/73/491474473.db2.gz MXOOUNIQEKIFPA-GHTZIAJQSA-N 1 3 372.513 0.977 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574179958 491479486 /nfs/dbraw/zinc/47/94/86/491479486.db2.gz AIDAUNHAHAPEOM-CYJAXWMASA-N 1 3 350.507 0.681 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000567066073 491483808 /nfs/dbraw/zinc/48/38/08/491483808.db2.gz ZQENWEBZTWTQPZ-UHFFFAOYSA-N 1 3 356.511 0.404 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559905506 491509346 /nfs/dbraw/zinc/50/93/46/491509346.db2.gz VUEBJROTBZXYPL-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559905506 491509347 /nfs/dbraw/zinc/50/93/47/491509347.db2.gz VUEBJROTBZXYPL-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559906967 491509488 /nfs/dbraw/zinc/50/94/88/491509488.db2.gz KAZMPBGAPSOXRL-QGZVFWFLSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCc2occc21 ZINC000559905747 491509575 /nfs/dbraw/zinc/50/95/75/491509575.db2.gz ZMTDNFCGCFLJHU-OAHLLOKOSA-N 1 3 350.463 0.725 20 0 FCADHO CO[C@]1(C)C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000574792636 491520617 /nfs/dbraw/zinc/52/06/17/491520617.db2.gz BNJYEMSRZSUCLO-RDTXWAMCSA-N 1 3 356.511 0.258 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000574806684 491521072 /nfs/dbraw/zinc/52/10/72/491521072.db2.gz KZZYOSKDNYBXPE-GOSISDBHSA-N 1 3 373.501 0.631 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567982566 491544725 /nfs/dbraw/zinc/54/47/25/491544725.db2.gz BGUBVDHICUXVLA-MJGOQNOKSA-N 1 3 352.523 0.759 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000560892671 491562645 /nfs/dbraw/zinc/56/26/45/491562645.db2.gz XMKJGZAXGQXJCK-UHFFFAOYSA-N 1 3 368.522 0.596 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000575820484 491563353 /nfs/dbraw/zinc/56/33/53/491563353.db2.gz BVGVZORJGOYAEZ-IXDOHACOSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000575820484 491563354 /nfs/dbraw/zinc/56/33/54/491563354.db2.gz BVGVZORJGOYAEZ-IXDOHACOSA-N 1 3 366.506 0.347 20 0 FCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568286850 491566883 /nfs/dbraw/zinc/56/68/83/491566883.db2.gz IEOYATNYSKGFDT-ROUUACIJSA-N 1 3 373.501 0.982 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000576003959 491575383 /nfs/dbraw/zinc/57/53/83/491575383.db2.gz JESYUGXZQQHIKT-IBGZPJMESA-N 1 3 372.513 0.878 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000568501510 491580694 /nfs/dbraw/zinc/58/06/94/491580694.db2.gz PBNBKMJSSDLTEI-WMLDXEAASA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568501510 491580696 /nfs/dbraw/zinc/58/06/96/491580696.db2.gz PBNBKMJSSDLTEI-WMLDXEAASA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000568501510 491580699 /nfs/dbraw/zinc/58/06/99/491580699.db2.gz PBNBKMJSSDLTEI-WMLDXEAASA-N 1 3 358.442 0.938 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000568745670 491605481 /nfs/dbraw/zinc/60/54/81/491605481.db2.gz YUUNXOXHHRHSOZ-HLLBOEOZSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000568802304 491610934 /nfs/dbraw/zinc/61/09/34/491610934.db2.gz LODBNMMAIKMHIM-GJZGRUSLSA-N 1 3 350.507 0.942 20 0 FCADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000561685770 491625250 /nfs/dbraw/zinc/62/52/50/491625250.db2.gz FFOSZVGRUBNQDS-MRXNPFEDSA-N 1 3 356.511 0.260 20 0 FCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562972 491632501 /nfs/dbraw/zinc/63/25/01/491632501.db2.gz YPQHYTMRMSVGBP-YOEHRIQHSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562970 491632848 /nfs/dbraw/zinc/63/28/48/491632848.db2.gz YPQHYTMRMSVGBP-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000561897245 491638470 /nfs/dbraw/zinc/63/84/70/491638470.db2.gz TVUNDNGAXNPYRN-OIISXLGYSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000561897246 491638946 /nfs/dbraw/zinc/63/89/46/491638946.db2.gz TVUNDNGAXNPYRN-PVAVHDDUSA-N 1 3 366.506 0.155 20 0 FCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569216069 491642422 /nfs/dbraw/zinc/64/24/22/491642422.db2.gz PHVACGQNKAFUCX-VQIMIIECSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000569264351 491647790 /nfs/dbraw/zinc/64/77/90/491647790.db2.gz GMOAIVFKJXRATO-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC(=O)NCCN3CCCCCC3)C2)C1 ZINC000569427282 491660798 /nfs/dbraw/zinc/66/07/98/491660798.db2.gz YRJVHJGWHDZGEY-LJQANCHMSA-N 1 3 365.522 0.716 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NCC(=O)NCCN3CCCCCC3)C2)C1 ZINC000569427282 491660802 /nfs/dbraw/zinc/66/08/02/491660802.db2.gz YRJVHJGWHDZGEY-LJQANCHMSA-N 1 3 365.522 0.716 20 0 FCADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576987029 491662603 /nfs/dbraw/zinc/66/26/03/491662603.db2.gz STJLCKNYAKUFIJ-RBUKOAKNSA-N 1 3 357.502 0.800 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569472144 491664840 /nfs/dbraw/zinc/66/48/40/491664840.db2.gz GNSUTALWUFPLPN-QZTJIDSGSA-N 1 3 358.486 0.630 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000578846206 491685564 /nfs/dbraw/zinc/68/55/64/491685564.db2.gz DRBMRCBYKVVHRP-MRXNPFEDSA-N 1 3 374.485 0.480 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000579105510 491691058 /nfs/dbraw/zinc/69/10/58/491691058.db2.gz BYEDZKKTIJGNPC-UHFFFAOYSA-N 1 3 352.483 0.636 20 0 FCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231515 491693551 /nfs/dbraw/zinc/69/35/51/491693551.db2.gz JAUFKRYRHHSMSI-LJQANCHMSA-N 1 3 365.566 0.546 20 0 FCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231515 491693552 /nfs/dbraw/zinc/69/35/52/491693552.db2.gz JAUFKRYRHHSMSI-LJQANCHMSA-N 1 3 365.566 0.546 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](OC)C(=O)OC)CC2)CC1 ZINC000579731686 491704047 /nfs/dbraw/zinc/70/40/47/491704047.db2.gz UXLLCOXGDWENHV-INIZCTEOSA-N 1 3 355.479 0.487 20 0 FCADHO Cc1c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)nnn1C1CC[NH2+]CC1 ZINC000584589440 491708665 /nfs/dbraw/zinc/70/86/65/491708665.db2.gz RBQZNWPKYPTRHD-INIZCTEOSA-N 1 3 364.494 0.694 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000580075076 491716165 /nfs/dbraw/zinc/71/61/65/491716165.db2.gz UEEYQWWQRYDRRN-KBPBESRZSA-N 1 3 350.463 0.485 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000580073711 491716241 /nfs/dbraw/zinc/71/62/41/491716241.db2.gz PSWQPNYEYYPDKC-GJZGRUSLSA-N 1 3 355.508 0.434 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000580104503 491717646 /nfs/dbraw/zinc/71/76/46/491717646.db2.gz USXCLTNNWLLXSC-UHFFFAOYSA-N 1 3 356.511 0.450 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCC1 ZINC000580114833 491718368 /nfs/dbraw/zinc/71/83/68/491718368.db2.gz JWWAULWORSPBBM-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580414413 491730219 /nfs/dbraw/zinc/73/02/19/491730219.db2.gz SSQMIMDIULFRAF-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000581424159 491772522 /nfs/dbraw/zinc/77/25/22/491772522.db2.gz BQAKDMSQQLTWOT-YDZRNGNQSA-N 1 3 368.481 0.540 20 0 FCADHO CN(c1ccccc1CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618670 491780212 /nfs/dbraw/zinc/78/02/12/491780212.db2.gz KOYKTDHBHZBAMD-RTBURBONSA-N 1 3 371.529 0.961 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000581717135 491783749 /nfs/dbraw/zinc/78/37/49/491783749.db2.gz YNWZDUKQKBPKKF-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000581717135 491783751 /nfs/dbraw/zinc/78/37/51/491783751.db2.gz YNWZDUKQKBPKKF-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582122840 491798766 /nfs/dbraw/zinc/79/87/66/491798766.db2.gz GOBRPKBXEBUKSA-IRXDYDNUSA-N 1 3 374.485 0.488 20 0 FCADHO C[C@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000591586853 491809772 /nfs/dbraw/zinc/80/97/72/491809772.db2.gz PFMWSRGGEPBAND-ZBFHGGJFSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000591586853 491809773 /nfs/dbraw/zinc/80/97/73/491809773.db2.gz PFMWSRGGEPBAND-ZBFHGGJFSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCCC1 ZINC000582523024 491816118 /nfs/dbraw/zinc/81/61/18/491816118.db2.gz DKCLTGLFWBVXNX-AWEZNQCLSA-N 1 3 362.478 0.689 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000582545800 491817107 /nfs/dbraw/zinc/81/71/07/491817107.db2.gz IJDXTLXLAZQYLS-KURKYZTESA-N 1 3 351.491 0.985 20 0 FCADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(Nc4ccncc4)cc3)CCN2C1=O ZINC000582555951 491817556 /nfs/dbraw/zinc/81/75/56/491817556.db2.gz AAAFHIQYVMDQKT-DLBZAZTESA-N 1 3 351.410 0.631 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCSC1 ZINC000582560887 491818118 /nfs/dbraw/zinc/81/81/18/491818118.db2.gz RXAPFJOJAXSCGT-QGZVFWFLSA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCSC1 ZINC000582560887 491818119 /nfs/dbraw/zinc/81/81/19/491818119.db2.gz RXAPFJOJAXSCGT-QGZVFWFLSA-N 1 3 356.536 0.531 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000582724545 491823938 /nfs/dbraw/zinc/82/39/38/491823938.db2.gz ZQOXPKZKFXYNLR-OAQYLSRUSA-N 1 3 372.513 0.930 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000582978894 491835029 /nfs/dbraw/zinc/83/50/29/491835029.db2.gz YBLYMKWPHYGJNC-KRWDZBQOSA-N 1 3 370.538 0.839 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434841 491844826 /nfs/dbraw/zinc/84/48/26/491844826.db2.gz GHNRWGJPFWTTNH-FXAWDEMLSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000583476979 491845777 /nfs/dbraw/zinc/84/57/77/491845777.db2.gz BOWSNCOXVHGYLV-HZPDHXFCSA-N 1 3 368.522 0.489 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)CC1 ZINC000583762213 491851626 /nfs/dbraw/zinc/85/16/26/491851626.db2.gz NPMSGJCLCRWNPM-KRWDZBQOSA-N 1 3 362.522 0.685 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257564 491861837 /nfs/dbraw/zinc/86/18/37/491861837.db2.gz YMUREDJEWZQARK-KLHDSHLOSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257564 491861838 /nfs/dbraw/zinc/86/18/38/491861838.db2.gz YMUREDJEWZQARK-KLHDSHLOSA-N 1 3 350.507 0.964 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCSC1 ZINC000584358482 491863792 /nfs/dbraw/zinc/86/37/92/491863792.db2.gz VKKYJJVUDAFAPN-GOSISDBHSA-N 1 3 370.563 0.965 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000611651035 491865714 /nfs/dbraw/zinc/86/57/14/491865714.db2.gz UASRGAVNSSLQAY-YQQAZPJKSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1=CCN(C)CC1 ZINC000611757684 491872514 /nfs/dbraw/zinc/87/25/14/491872514.db2.gz HBYLEHBBGAFOCW-OAHLLOKOSA-N 1 3 362.518 0.991 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000612333927 491910684 /nfs/dbraw/zinc/91/06/84/491910684.db2.gz WWDPZAGSFFBFJQ-UHFFFAOYSA-N 1 3 368.570 0.338 20 0 FCADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(F)(F)F)N(C)C ZINC000612464702 491921844 /nfs/dbraw/zinc/92/18/44/491921844.db2.gz MYXVMQCAOYVENM-GRYCIOLGSA-N 1 3 354.417 0.830 20 0 FCADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)N(C)C)C(F)(F)F)[NH+](C)C ZINC000612464702 491921841 /nfs/dbraw/zinc/92/18/41/491921841.db2.gz MYXVMQCAOYVENM-GRYCIOLGSA-N 1 3 354.417 0.830 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612593143 491936276 /nfs/dbraw/zinc/93/62/76/491936276.db2.gz YBOQVZJTXLARAY-KRWDZBQOSA-N 1 3 366.506 0.300 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612595706 491936672 /nfs/dbraw/zinc/93/66/72/491936672.db2.gz KCWGLLMPZMMOBM-IAGOWNOFSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612599188 491938002 /nfs/dbraw/zinc/93/80/02/491938002.db2.gz QRGZDZDRQIPJOE-KRWDZBQOSA-N 1 3 366.506 0.299 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612603753 491938334 /nfs/dbraw/zinc/93/83/34/491938334.db2.gz LLGLKADVQMRTQU-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612603753 491938336 /nfs/dbraw/zinc/93/83/36/491938336.db2.gz LLGLKADVQMRTQU-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO COC(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)n1C ZINC000602021483 491957434 /nfs/dbraw/zinc/95/74/34/491957434.db2.gz VHUPUPUTORXZJA-UHFFFAOYSA-N 1 3 364.490 0.698 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000595896745 491960037 /nfs/dbraw/zinc/96/00/37/491960037.db2.gz WYCIKPJPXWRKRS-YHUYYLMFSA-N 1 3 353.463 0.369 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506786 491990206 /nfs/dbraw/zinc/99/02/06/491990206.db2.gz PKKWJWROHMUDCQ-MJGOQNOKSA-N 1 3 360.502 0.803 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274046 492083708 /nfs/dbraw/zinc/08/37/08/492083708.db2.gz KHDNRVGSQRVJEZ-HXUWFJFHSA-N 1 3 371.529 0.999 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274046 492083710 /nfs/dbraw/zinc/08/37/10/492083710.db2.gz KHDNRVGSQRVJEZ-HXUWFJFHSA-N 1 3 371.529 0.999 20 0 FCADHO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633827 492125310 /nfs/dbraw/zinc/12/53/10/492125310.db2.gz WMWLPQNTXPGUQO-IRXDYDNUSA-N 1 3 355.527 0.278 20 0 FCADHO COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633827 492125311 /nfs/dbraw/zinc/12/53/11/492125311.db2.gz WMWLPQNTXPGUQO-IRXDYDNUSA-N 1 3 355.527 0.278 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000607689505 492149119 /nfs/dbraw/zinc/14/91/19/492149119.db2.gz ATTGOOUIYYTXON-VVLHAWIVSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000607689505 492149120 /nfs/dbraw/zinc/14/91/20/492149120.db2.gz ATTGOOUIYYTXON-VVLHAWIVSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000607689507 492149179 /nfs/dbraw/zinc/14/91/79/492149179.db2.gz ATTGOOUIYYTXON-YLFCFFPRSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000607689507 492149180 /nfs/dbraw/zinc/14/91/80/492149180.db2.gz ATTGOOUIYYTXON-YLFCFFPRSA-N 1 3 350.507 0.918 20 0 FCADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000609487732 492209703 /nfs/dbraw/zinc/20/97/03/492209703.db2.gz DIAHHSXHSSVTER-HOTGVXAUSA-N 1 3 369.506 0.829 20 0 FCADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611181119 492280735 /nfs/dbraw/zinc/28/07/35/492280735.db2.gz KOXGHFUTXOJBMM-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654450174 492305707 /nfs/dbraw/zinc/30/57/07/492305707.db2.gz DCRJCZKXNPRSLO-ZACQAIPSSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654450174 492305709 /nfs/dbraw/zinc/30/57/09/492305709.db2.gz DCRJCZKXNPRSLO-ZACQAIPSSA-N 1 3 365.522 0.890 20 0 FCADHO O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485723 492314230 /nfs/dbraw/zinc/31/42/30/492314230.db2.gz WSKHXFMSLKWQME-PZJWPPBQSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485723 492314232 /nfs/dbraw/zinc/31/42/32/492314232.db2.gz WSKHXFMSLKWQME-PZJWPPBQSA-N 1 3 373.497 0.681 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000642102259 492335268 /nfs/dbraw/zinc/33/52/68/492335268.db2.gz XPQLMPGITKJSAP-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000642119462 492336718 /nfs/dbraw/zinc/33/67/18/492336718.db2.gz RPCWAYJGDJTONB-XHSDSOJGSA-N 1 3 368.522 0.578 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000642253934 492345858 /nfs/dbraw/zinc/34/58/58/492345858.db2.gz RGYFVILNFDCELN-ZWKOTPCHSA-N 1 3 374.485 0.119 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000642253934 492345861 /nfs/dbraw/zinc/34/58/61/492345861.db2.gz RGYFVILNFDCELN-ZWKOTPCHSA-N 1 3 374.485 0.119 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000642540795 492362836 /nfs/dbraw/zinc/36/28/36/492362836.db2.gz OBMNMBSEDYNBIP-CQSZACIVSA-N 1 3 364.515 0.945 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640735 492369265 /nfs/dbraw/zinc/36/92/65/492369265.db2.gz PTFSXPVUZWAJAL-KZNAEPCWSA-N 1 3 358.486 0.820 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640735 492369267 /nfs/dbraw/zinc/36/92/67/492369267.db2.gz PTFSXPVUZWAJAL-KZNAEPCWSA-N 1 3 358.486 0.820 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000642685601 492372631 /nfs/dbraw/zinc/37/26/31/492372631.db2.gz PRMAJQAPSCHWLJ-MRXNPFEDSA-N 1 3 362.474 0.441 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642686016 492373213 /nfs/dbraw/zinc/37/32/13/492373213.db2.gz BUIDVDYOXPDGHU-FUHWJXTLSA-N 1 3 374.485 0.454 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000642733045 492382917 /nfs/dbraw/zinc/38/29/17/492382917.db2.gz TTYPVGDNZMHVOT-MAUKXSAKSA-N 1 3 374.485 0.126 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000642733044 492383085 /nfs/dbraw/zinc/38/30/85/492383085.db2.gz TTYPVGDNZMHVOT-CRAIPNDOSA-N 1 3 374.485 0.126 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000654947960 492384124 /nfs/dbraw/zinc/38/41/24/492384124.db2.gz XDHIXLRJUIBUCS-CABCVRRESA-N 1 3 362.478 0.516 20 0 FCADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937831 492386091 /nfs/dbraw/zinc/38/60/91/492386091.db2.gz CSUOZRICIRSFHW-IUODEOHRSA-N 1 3 354.476 0.722 20 0 FCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000642793723 492393616 /nfs/dbraw/zinc/39/36/16/492393616.db2.gz RKEGHLUXSMPXTC-HNNXBMFYSA-N 1 3 352.479 0.006 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642801820 492395831 /nfs/dbraw/zinc/39/58/31/492395831.db2.gz KPAVGCJTSCSSGH-IEBWSBKVSA-N 1 3 370.497 0.978 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984286 492410900 /nfs/dbraw/zinc/41/09/00/492410900.db2.gz BXICLCQMLURPPB-NXHRZFHOSA-N 1 3 358.486 0.976 20 0 FCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642983145 492411328 /nfs/dbraw/zinc/41/13/28/492411328.db2.gz WQQVKZJZMQPYSH-UHFFFAOYSA-N 1 3 365.437 0.650 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643003996 492412452 /nfs/dbraw/zinc/41/24/52/492412452.db2.gz HPPFISJVHZLRBJ-ZWKOTPCHSA-N 1 3 374.485 0.214 20 0 FCADHO COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642991945 492412961 /nfs/dbraw/zinc/41/29/61/492412961.db2.gz CFSCTDQCTCWOAB-KRWDZBQOSA-N 1 3 362.474 0.072 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621841268 492423098 /nfs/dbraw/zinc/42/30/98/492423098.db2.gz SPQRWMWHBXAGLC-UZLBHIALSA-N 1 3 374.485 0.583 20 0 FCADHO Cc1coc(CC(=O)NC[C@H](C)[NH+](C)C)c1C(=O)NC[C@@H](C)N(C)C ZINC000635255280 492423229 /nfs/dbraw/zinc/42/32/29/492423229.db2.gz PIHDRXPENVAZPY-UONOGXRCSA-N 1 3 352.479 0.877 20 0 FCADHO Cc1coc(CC(=O)NC[C@H](C)N(C)C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000635255280 492423234 /nfs/dbraw/zinc/42/32/34/492423234.db2.gz PIHDRXPENVAZPY-UONOGXRCSA-N 1 3 352.479 0.877 20 0 FCADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC1(N3CCCC3)CCOCC1)C2 ZINC000621845159 492425316 /nfs/dbraw/zinc/42/53/16/492425316.db2.gz CPXWIWJSOBTNDD-HNAYVOBHSA-N 1 3 364.490 0.087 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622014187 492440534 /nfs/dbraw/zinc/44/05/34/492440534.db2.gz ASDZHOHCYARHHN-ZBFHGGJFSA-N 1 3 355.508 0.563 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622014185 492440540 /nfs/dbraw/zinc/44/05/40/492440540.db2.gz ASDZHOHCYARHHN-GOEBONIOSA-N 1 3 355.508 0.563 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655446319 492443114 /nfs/dbraw/zinc/44/31/14/492443114.db2.gz NTKIWSBJRHJPQV-YLJYHZDGSA-N 1 3 358.486 0.984 20 0 FCADHO C[N@H+](CCCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000643416855 492453051 /nfs/dbraw/zinc/45/30/51/492453051.db2.gz OYJUOFVXMUGTSN-UHFFFAOYSA-N 1 3 359.474 0.721 20 0 FCADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000643416855 492453055 /nfs/dbraw/zinc/45/30/55/492453055.db2.gz OYJUOFVXMUGTSN-UHFFFAOYSA-N 1 3 359.474 0.721 20 0 FCADHO CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000643416075 492453560 /nfs/dbraw/zinc/45/35/60/492453560.db2.gz RMWXKQPBUIFSNM-HZPDHXFCSA-N 1 3 356.511 0.402 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528233 492463704 /nfs/dbraw/zinc/46/37/04/492463704.db2.gz PMLAGRUEALWXEO-SJLPKXTDSA-N 1 3 369.473 0.968 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528233 492463707 /nfs/dbraw/zinc/46/37/07/492463707.db2.gz PMLAGRUEALWXEO-SJLPKXTDSA-N 1 3 369.473 0.968 20 0 FCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000643494214 492481801 /nfs/dbraw/zinc/48/18/01/492481801.db2.gz QTMRXSDRKJVNJC-KRWDZBQOSA-N 1 3 350.507 0.908 20 0 FCADHO O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498738 492482294 /nfs/dbraw/zinc/48/22/94/492482294.db2.gz MTJJRZSMCIDZRD-QZTJIDSGSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503628 492483772 /nfs/dbraw/zinc/48/37/72/492483772.db2.gz OLBMYNUTZXXUNJ-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643513585 492486598 /nfs/dbraw/zinc/48/65/98/492486598.db2.gz QYJMDCQGHGEYGW-DLBZAZTESA-N 1 3 367.538 0.057 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531826 492491467 /nfs/dbraw/zinc/49/14/67/492491467.db2.gz OQYXWPCJNYVKRG-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531828 492492356 /nfs/dbraw/zinc/49/23/56/492492356.db2.gz OXFUIBRWLBMHFA-JQHSSLGASA-N 1 3 358.486 0.915 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643560033 492498962 /nfs/dbraw/zinc/49/89/62/492498962.db2.gz FRVOTMHCEBGYOB-HOTGVXAUSA-N 1 3 364.515 0.849 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ncn(-c2ccccc2)n1 ZINC000656032743 492522913 /nfs/dbraw/zinc/52/29/13/492522913.db2.gz KPMMZXOOGGBZRO-UHFFFAOYSA-N 1 3 359.478 0.902 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCOC3)c2)CC1 ZINC000649295976 492525257 /nfs/dbraw/zinc/52/52/57/492525257.db2.gz MXQZKOXXTMVVKO-MRXNPFEDSA-N 1 3 360.458 0.558 20 0 FCADHO COC1CC[NH+](C(C)(C)CNC(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000649328321 492535711 /nfs/dbraw/zinc/53/57/11/492535711.db2.gz OQHFVSCRFXPCLQ-HNNXBMFYSA-N 1 3 354.495 0.332 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649351707 492543993 /nfs/dbraw/zinc/54/39/93/492543993.db2.gz LDJLARWASIFPAA-CYBMUJFWSA-N 1 3 356.434 0.212 20 0 FCADHO CN1CCC[C@@H](N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC000649352919 492546576 /nfs/dbraw/zinc/54/65/76/492546576.db2.gz UIWWDNBEVKEDOH-QGZVFWFLSA-N 1 3 360.506 0.200 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656295175 492573631 /nfs/dbraw/zinc/57/36/31/492573631.db2.gz GBERCXWQDGYKKM-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656295175 492573634 /nfs/dbraw/zinc/57/36/34/492573634.db2.gz GBERCXWQDGYKKM-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656300836 492577550 /nfs/dbraw/zinc/57/75/50/492577550.db2.gz DLUIRNBYJKAETE-SJORKVTESA-N 1 3 366.506 0.347 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656301133 492578579 /nfs/dbraw/zinc/57/85/79/492578579.db2.gz HVDMFLSMHMDBOW-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656304821 492580248 /nfs/dbraw/zinc/58/02/48/492580248.db2.gz ICBUIHUEHIDMTE-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)N(C)C)c1 ZINC000636473402 492595042 /nfs/dbraw/zinc/59/50/42/492595042.db2.gz ZOSBGQBVUWYXFZ-DOTOQJQBSA-N 1 3 350.463 0.664 20 0 FCADHO COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)N(C)C)c1 ZINC000636473402 492595044 /nfs/dbraw/zinc/59/50/44/492595044.db2.gz ZOSBGQBVUWYXFZ-DOTOQJQBSA-N 1 3 350.463 0.664 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656336895 492600781 /nfs/dbraw/zinc/60/07/81/492600781.db2.gz DLHMDGCBHUHFGU-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656336895 492600784 /nfs/dbraw/zinc/60/07/84/492600784.db2.gz DLHMDGCBHUHFGU-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656360636 492613459 /nfs/dbraw/zinc/61/34/59/492613459.db2.gz UTTUSZMXQYQZIY-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000629418123 492624426 /nfs/dbraw/zinc/62/44/26/492624426.db2.gz MVAQWKBBDXEFHL-KRWDZBQOSA-N 1 3 350.507 0.480 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000629418123 492624431 /nfs/dbraw/zinc/62/44/31/492624431.db2.gz MVAQWKBBDXEFHL-KRWDZBQOSA-N 1 3 350.507 0.480 20 0 FCADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000629558691 492644757 /nfs/dbraw/zinc/64/47/57/492644757.db2.gz LVGLJRZRPCVITA-QGZVFWFLSA-N 1 3 361.490 0.167 20 0 FCADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000624615017 492666588 /nfs/dbraw/zinc/66/65/88/492666588.db2.gz JJRSNJXEKCPCJB-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000624615017 492666592 /nfs/dbraw/zinc/66/65/92/492666592.db2.gz JJRSNJXEKCPCJB-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000629800792 492679047 /nfs/dbraw/zinc/67/90/47/492679047.db2.gz AYXBEOOAQBQORM-UHFFFAOYSA-N 1 3 350.463 0.393 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624787027 492683724 /nfs/dbraw/zinc/68/37/24/492683724.db2.gz OLALZXBITBMCMD-ZBFHGGJFSA-N 1 3 351.495 0.765 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624787027 492683719 /nfs/dbraw/zinc/68/37/19/492683719.db2.gz OLALZXBITBMCMD-ZBFHGGJFSA-N 1 3 351.495 0.765 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc1 ZINC000657090851 492714843 /nfs/dbraw/zinc/71/48/43/492714843.db2.gz IMPHKOGGKWMSGH-UHFFFAOYSA-N 1 3 356.536 0.910 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657873185 492807901 /nfs/dbraw/zinc/80/79/01/492807901.db2.gz GZSBQCXDHUHRHU-INIZCTEOSA-N 1 3 359.474 0.530 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657873185 492807904 /nfs/dbraw/zinc/80/79/04/492807904.db2.gz GZSBQCXDHUHRHU-INIZCTEOSA-N 1 3 359.474 0.530 20 0 FCADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873184 492808013 /nfs/dbraw/zinc/80/80/13/492808013.db2.gz GRLJKEDXAYUBCT-SFHVURJKSA-N 1 3 371.485 0.817 20 0 FCADHO Cc1nn(C)c2ncc(C[NH2+]CCCCN3CCN(CCO)CC3)cc12 ZINC000657883097 492809100 /nfs/dbraw/zinc/80/91/00/492809100.db2.gz PIISDERNHRXIPE-UHFFFAOYSA-N 1 3 360.506 0.756 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CCO1 ZINC000637868238 492873089 /nfs/dbraw/zinc/87/30/89/492873089.db2.gz WFVAKIKUUHATTH-MLGOLLRUSA-N 1 3 361.446 0.492 20 0 FCADHO CCO[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@H]1C[NH3+] ZINC000652174542 492890477 /nfs/dbraw/zinc/89/04/77/492890477.db2.gz XRNJWKJCRLHJRO-HZPDHXFCSA-N 1 3 365.478 0.527 20 0 FCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000638089685 492904068 /nfs/dbraw/zinc/90/40/68/492904068.db2.gz CRPQGBSEAKIYJL-UGSOOPFHSA-N 1 3 362.430 0.862 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652312697 492908336 /nfs/dbraw/zinc/90/83/36/492908336.db2.gz XZQATZBYZXXGNA-UHFFFAOYSA-N 1 3 351.495 0.326 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638116186 492910107 /nfs/dbraw/zinc/91/01/07/492910107.db2.gz HRBHIXKZDUNYMX-LPHOPBHVSA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638116186 492910109 /nfs/dbraw/zinc/91/01/09/492910109.db2.gz HRBHIXKZDUNYMX-LPHOPBHVSA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116186 492910112 /nfs/dbraw/zinc/91/01/12/492910112.db2.gz HRBHIXKZDUNYMX-LPHOPBHVSA-N 1 3 360.502 0.850 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348463 492913568 /nfs/dbraw/zinc/91/35/68/492913568.db2.gz FGWABOUVCDHGQU-XLAORIBOSA-N 1 3 352.523 0.757 20 0 FCADHO [NH3+]C1(CC(=O)N2CC[C@H]3OCCN[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226412 492923704 /nfs/dbraw/zinc/92/37/04/492923704.db2.gz ILFVTSKRWLYGSL-RTBURBONSA-N 1 3 372.513 0.959 20 0 FCADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CCCN1CCCC1 ZINC000632129301 492936218 /nfs/dbraw/zinc/93/62/18/492936218.db2.gz HJRKDDIRWFJMBB-IKGGRYGDSA-N 1 3 359.536 0.986 20 0 FCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349290 492939027 /nfs/dbraw/zinc/93/90/27/492939027.db2.gz ZWSRJSFYQFMVIG-JYJNAYRXSA-N 1 3 351.495 0.497 20 0 FCADHO CN(CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349559 492939467 /nfs/dbraw/zinc/93/94/67/492939467.db2.gz QCSMXDMBRSLNPR-HOTGVXAUSA-N 1 3 365.522 0.711 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439456 492947744 /nfs/dbraw/zinc/94/77/44/492947744.db2.gz IDUAOJHSWQMBPF-CVEARBPZSA-N 1 3 360.506 0.867 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439456 492947749 /nfs/dbraw/zinc/94/77/49/492947749.db2.gz IDUAOJHSWQMBPF-CVEARBPZSA-N 1 3 360.506 0.867 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cn1 ZINC000652622390 492971820 /nfs/dbraw/zinc/97/18/20/492971820.db2.gz IUMAIUXIMJNCTC-UHFFFAOYSA-N 1 3 358.446 0.371 20 0 FCADHO C[NH+]1CCC(CNCc2cc3c(cn2)OCCO3)(N2CCOCC2)CC1 ZINC000639261495 493003655 /nfs/dbraw/zinc/00/36/55/493003655.db2.gz ONNYUWKVJKRVAW-UHFFFAOYSA-N 1 3 362.474 0.739 20 0 FCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000652725881 493005979 /nfs/dbraw/zinc/00/59/79/493005979.db2.gz WQYDNOUTSXTXLK-QGZVFWFLSA-N 1 3 350.507 0.969 20 0 FCADHO CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCCN(C)C)CC2)CC1 ZINC000632489179 493008640 /nfs/dbraw/zinc/00/86/40/493008640.db2.gz CHSKFVQQWOESLH-UHFFFAOYSA-N 1 3 360.568 0.760 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000646075317 493011044 /nfs/dbraw/zinc/01/10/44/493011044.db2.gz AZBSDYUMSYRINY-JKSUJKDBSA-N 1 3 362.478 0.135 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105720 493012838 /nfs/dbraw/zinc/01/28/38/493012838.db2.gz FCSSWIXLYXLXBM-ROUUACIJSA-N 1 3 358.486 0.978 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000646666681 493081913 /nfs/dbraw/zinc/08/19/13/493081913.db2.gz WZJCPFDQTSSPIF-QZTJIDSGSA-N 1 3 373.501 0.607 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272004 493087916 /nfs/dbraw/zinc/08/79/16/493087916.db2.gz UXRTYPGZTNIKGU-IRXDYDNUSA-N 1 3 350.507 0.825 20 0 FCADHO CN1CCC(n2cc(NC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cn2)CC1 ZINC000632961856 493098560 /nfs/dbraw/zinc/09/85/60/493098560.db2.gz UOIWOWJKRZUBAZ-KRWDZBQOSA-N 1 3 361.494 0.661 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCCN(C)C)c1 ZINC000633032872 493107113 /nfs/dbraw/zinc/10/71/13/493107113.db2.gz MVTYHDUSPLJFES-GASCZTMLSA-N 1 3 360.458 0.837 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000633041277 493108339 /nfs/dbraw/zinc/10/83/39/493108339.db2.gz VGUYIMPYXWGETB-VXGBXAGGSA-N 1 3 352.410 0.653 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104666 493128066 /nfs/dbraw/zinc/12/80/66/493128066.db2.gz HCSJRYLXBFIQBB-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104666 493128070 /nfs/dbraw/zinc/12/80/70/493128070.db2.gz HCSJRYLXBFIQBB-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627295311 493138390 /nfs/dbraw/zinc/13/83/90/493138390.db2.gz ZWFPPLHVOGWLNB-AVGNSLFASA-N 1 3 366.428 0.819 20 0 FCADHO CN(C)CCn1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000633193218 493139626 /nfs/dbraw/zinc/13/96/26/493139626.db2.gz GLKXIXJFGHOQGW-UHFFFAOYSA-N 1 3 364.494 0.167 20 0 FCADHO CCNCc1ccn(Cc2cn(CC(=O)NC3CC[NH+](CC)CC3)nn2)n1 ZINC000640866253 493140160 /nfs/dbraw/zinc/14/01/60/493140160.db2.gz GZUKCPRSGGFDNE-UHFFFAOYSA-N 1 3 374.493 0.233 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)c(C)c2)CC1 ZINC000659114224 493160167 /nfs/dbraw/zinc/16/01/67/493160167.db2.gz MFRSTNVTTCRJPC-HNNXBMFYSA-N 1 3 361.490 0.800 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000659113766 493160358 /nfs/dbraw/zinc/16/03/58/493160358.db2.gz HAQUKUFHKIRHCH-HNNXBMFYSA-N 1 3 361.490 0.487 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000659113648 493160549 /nfs/dbraw/zinc/16/05/49/493160549.db2.gz XLSOXOHUZKHCSH-HNNXBMFYSA-N 1 3 373.501 0.881 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641149360 493172900 /nfs/dbraw/zinc/17/29/00/493172900.db2.gz FPPBQQRRUCGSCY-SFHVURJKSA-N 1 3 371.485 0.738 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)Cn2cc(CC[NH3+])nn2)CC1 ZINC000641171323 493175212 /nfs/dbraw/zinc/17/52/12/493175212.db2.gz QLIPMQMSPSNHOF-UHFFFAOYSA-N 1 3 356.474 0.869 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000659318634 493189890 /nfs/dbraw/zinc/18/98/90/493189890.db2.gz TVGRADGYLOJZQN-MRXNPFEDSA-N 1 3 366.462 0.131 20 0 FCADHO CCO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC000659318513 493189925 /nfs/dbraw/zinc/18/99/25/493189925.db2.gz INHUWCODXKFMAO-JKSUJKDBSA-N 1 3 356.511 0.212 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000659318582 493190753 /nfs/dbraw/zinc/19/07/53/493190753.db2.gz OUNDIMLLKSYFLK-KRWDZBQOSA-N 1 3 368.522 0.356 20 0 FCADHO N[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[C@H]1F ZINC000659481306 493191489 /nfs/dbraw/zinc/19/14/89/493191489.db2.gz XSPZZSUKWSYRBO-BRWVUGGUSA-N 1 3 350.438 0.834 20 0 FCADHO N[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[C@H]1F ZINC000659481306 493191493 /nfs/dbraw/zinc/19/14/93/493191493.db2.gz XSPZZSUKWSYRBO-BRWVUGGUSA-N 1 3 350.438 0.834 20 0 FCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659583735 493216942 /nfs/dbraw/zinc/21/69/42/493216942.db2.gz QRMHORQRJLGEKB-NUJGCVRESA-N 1 3 350.438 0.637 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666975135 493244353 /nfs/dbraw/zinc/24/43/53/493244353.db2.gz IRRWNNMNWHVKTK-QGZVFWFLSA-N 1 3 368.522 0.774 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000659686798 493253485 /nfs/dbraw/zinc/25/34/85/493253485.db2.gz JYKBQYRBEKBVMZ-ZDUSSCGKSA-N 1 3 352.504 0.800 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000659700174 493260897 /nfs/dbraw/zinc/26/08/97/493260897.db2.gz CRLIZGDJOILEDY-KCQAQPDRSA-N 1 3 352.504 0.971 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N(C)C1CC1 ZINC000659701279 493260920 /nfs/dbraw/zinc/26/09/20/493260920.db2.gz CVXWMBRVAPCTJK-HOCLYGCPSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N(C)C1CC1 ZINC000659701277 493261226 /nfs/dbraw/zinc/26/12/26/493261226.db2.gz CVXWMBRVAPCTJK-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704192 493263357 /nfs/dbraw/zinc/26/33/57/493263357.db2.gz HUTHKBDBLNXWNV-ROUUACIJSA-N 1 3 362.518 0.825 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1F ZINC000667262933 493270565 /nfs/dbraw/zinc/27/05/65/493270565.db2.gz QSCIFAPCAGOEPO-CQSZACIVSA-N 1 3 366.437 0.963 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000659717935 493270679 /nfs/dbraw/zinc/27/06/79/493270679.db2.gz LLPYQVDFWTZRPT-KRWDZBQOSA-N 1 3 359.474 0.263 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659724886 493273744 /nfs/dbraw/zinc/27/37/44/493273744.db2.gz RKVCFFPRBRBLCC-OAHLLOKOSA-N 1 3 361.490 0.524 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659726907 493274352 /nfs/dbraw/zinc/27/43/52/493274352.db2.gz CQDSMBCJYGNXPT-CRAIPNDOSA-N 1 3 373.501 0.606 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659726908 493274519 /nfs/dbraw/zinc/27/45/19/493274519.db2.gz CQDSMBCJYGNXPT-MAUKXSAKSA-N 1 3 373.501 0.606 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659738448 493279903 /nfs/dbraw/zinc/27/99/03/493279903.db2.gz DUMYRVYEOXLAGP-VVLHAWIVSA-N 1 3 366.506 0.332 20 0 FCADHO CCC1(Cn2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn2)COC1 ZINC000668303864 493329472 /nfs/dbraw/zinc/32/94/72/493329472.db2.gz WUIHGJAQEUMMGU-UHFFFAOYSA-N 1 3 352.483 0.270 20 0 FCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585543 493380450 /nfs/dbraw/zinc/38/04/50/493380450.db2.gz PPDZMJIJHARBRY-IXDOHACOSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585543 493380451 /nfs/dbraw/zinc/38/04/51/493380451.db2.gz PPDZMJIJHARBRY-IXDOHACOSA-N 1 3 364.490 0.099 20 0 FCADHO C[NH+](C)[C@@]1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCSC1 ZINC000660824094 493382363 /nfs/dbraw/zinc/38/23/63/493382363.db2.gz JXQMZXOIUQJEGZ-NVXWUHKLSA-N 1 3 356.536 0.976 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668777299 493409048 /nfs/dbraw/zinc/40/90/48/493409048.db2.gz USJRVBBIALVYSU-GOEBONIOSA-N 1 3 354.495 0.202 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668777299 493409050 /nfs/dbraw/zinc/40/90/50/493409050.db2.gz USJRVBBIALVYSU-GOEBONIOSA-N 1 3 354.495 0.202 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668796006 493412638 /nfs/dbraw/zinc/41/26/38/493412638.db2.gz IWBFQPJVBVVVIU-DLBZAZTESA-N 1 3 366.506 0.347 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000668830401 493417431 /nfs/dbraw/zinc/41/74/31/493417431.db2.gz BESXJVWCJCORHV-QGZVFWFLSA-N 1 3 366.506 0.347 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000668830401 493417432 /nfs/dbraw/zinc/41/74/32/493417432.db2.gz BESXJVWCJCORHV-QGZVFWFLSA-N 1 3 366.506 0.347 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000669104549 493463581 /nfs/dbraw/zinc/46/35/81/493463581.db2.gz KMXANDISUXATBQ-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000669104549 493463583 /nfs/dbraw/zinc/46/35/83/493463583.db2.gz KMXANDISUXATBQ-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)CCO1 ZINC000669139234 493466916 /nfs/dbraw/zinc/46/69/16/493466916.db2.gz SGWZOEQMGKPLFU-YOEHRIQHSA-N 1 3 350.463 0.885 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669135305 493466931 /nfs/dbraw/zinc/46/69/31/493466931.db2.gz DSEPTHXFYCVDGV-RHSMWYFYSA-N 1 3 350.463 0.885 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143836 493467858 /nfs/dbraw/zinc/46/78/58/493467858.db2.gz FGHIDPDWJOZGBX-HOCLYGCPSA-N 1 3 368.522 0.448 20 0 FCADHO O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978655 493480073 /nfs/dbraw/zinc/48/00/73/493480073.db2.gz QCXPWNDZBWUGTK-BRSBDYLESA-N 1 3 360.502 0.341 20 0 FCADHO O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978655 493480075 /nfs/dbraw/zinc/48/00/75/493480075.db2.gz QCXPWNDZBWUGTK-BRSBDYLESA-N 1 3 360.502 0.341 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000669452558 493504149 /nfs/dbraw/zinc/50/41/49/493504149.db2.gz SHYDDODJHSZYEL-SJLPKXTDSA-N 1 3 373.501 0.871 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294460 493504864 /nfs/dbraw/zinc/50/48/64/493504864.db2.gz WITZTXSGBGEKBA-QAPCUYQASA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298024 493504984 /nfs/dbraw/zinc/50/49/84/493504984.db2.gz TVUFDKPNVMTXTQ-PVAVHDDUSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000662462858 493517776 /nfs/dbraw/zinc/51/77/76/493517776.db2.gz OYERRJTVSVBEBT-PKOBYXMFSA-N 1 3 358.486 0.744 20 0 FCADHO COc1cc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])ccc1OCCN(C)C ZINC000662691693 493531886 /nfs/dbraw/zinc/53/18/86/493531886.db2.gz LMHBDIJBGGBJAI-RHSMWYFYSA-N 1 3 351.447 0.616 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758774 493539766 /nfs/dbraw/zinc/53/97/66/493539766.db2.gz STNOOUOERUUURG-ZFWWWQNUSA-N 1 3 350.429 0.918 20 0 FCADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662804530 493543402 /nfs/dbraw/zinc/54/34/02/493543402.db2.gz ANWFIZORKZTKFE-MRXNPFEDSA-N 1 3 358.446 0.812 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394352 493549137 /nfs/dbraw/zinc/54/91/37/493549137.db2.gz ZTBZDBPUOZPBSJ-PZJWPPBQSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394352 493549140 /nfs/dbraw/zinc/54/91/40/493549140.db2.gz ZTBZDBPUOZPBSJ-PZJWPPBQSA-N 1 3 373.497 0.993 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927812 493554932 /nfs/dbraw/zinc/55/49/32/493554932.db2.gz GCMAPWWUPNGQQA-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000662940404 493557404 /nfs/dbraw/zinc/55/74/04/493557404.db2.gz GWCFOVIRAVSVLZ-UHFFFAOYSA-N 1 3 367.538 0.058 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000662947996 493559384 /nfs/dbraw/zinc/55/93/84/493559384.db2.gz DVPZSCFAKXZUNA-ROUUACIJSA-N 1 3 358.486 0.712 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000662954627 493560330 /nfs/dbraw/zinc/56/03/30/493560330.db2.gz XOCMORIGBBVTOU-CEXWTWQISA-N 1 3 370.497 0.440 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662954225 493560611 /nfs/dbraw/zinc/56/06/11/493560611.db2.gz SXMVTPAQIGVTBY-YTQUADARSA-N 1 3 372.513 0.958 20 0 FCADHO CS(=O)(=O)C1(C(=O)NC[C@@H]2CCCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000663004825 493565829 /nfs/dbraw/zinc/56/58/29/493565829.db2.gz RXNFIOSOKPXJRW-HNNXBMFYSA-N 1 3 357.520 0.391 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000677129008 493585808 /nfs/dbraw/zinc/58/58/08/493585808.db2.gz KAGHKVMMCXOSJJ-ROUUACIJSA-N 1 3 370.501 0.804 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000663614713 493604356 /nfs/dbraw/zinc/60/43/56/493604356.db2.gz CYWCYNBEJSLALG-HXUWFJFHSA-N 1 3 373.501 0.944 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000670984989 493620405 /nfs/dbraw/zinc/62/04/05/493620405.db2.gz KPUBEXGMXPDMAT-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071926 493629994 /nfs/dbraw/zinc/62/99/94/493629994.db2.gz WGMBEOVHZJVMMI-CRAIPNDOSA-N 1 3 368.547 0.627 20 0 FCADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000671090773 493631628 /nfs/dbraw/zinc/63/16/28/493631628.db2.gz MKJXEMXOYLLEKH-SFHVURJKSA-N 1 3 358.486 0.965 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104280 493635034 /nfs/dbraw/zinc/63/50/34/493635034.db2.gz NABNNMGGTYPSLD-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104280 493635037 /nfs/dbraw/zinc/63/50/37/493635037.db2.gz NABNNMGGTYPSLD-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170696 493645395 /nfs/dbraw/zinc/64/53/95/493645395.db2.gz DXHYJMYBGBCZPU-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000671365612 493660904 /nfs/dbraw/zinc/66/09/04/493660904.db2.gz IVUDAKMYWYURDF-IAGOWNOFSA-N 1 3 367.538 0.071 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664475733 493662372 /nfs/dbraw/zinc/66/23/72/493662372.db2.gz TZFAKYIPXVYQFC-QZWWFDLISA-N 1 3 354.495 0.071 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000664538915 493666397 /nfs/dbraw/zinc/66/63/97/493666397.db2.gz JLIMADQQHKESQP-GOSISDBHSA-N 1 3 367.538 0.565 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000664783874 493682926 /nfs/dbraw/zinc/68/29/26/493682926.db2.gz JJNSSXWNNWTEJS-OAHLLOKOSA-N 1 3 355.527 0.768 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000664783874 493682928 /nfs/dbraw/zinc/68/29/28/493682928.db2.gz JJNSSXWNNWTEJS-OAHLLOKOSA-N 1 3 355.527 0.768 20 0 FCADHO CN1CCC2(CCCN2C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000671849157 493708480 /nfs/dbraw/zinc/70/84/80/493708480.db2.gz ADZCUFJCDGSLIA-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CN1CCC(NC(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)c2N)CC1 ZINC000665509152 493719765 /nfs/dbraw/zinc/71/97/65/493719765.db2.gz ZRFOOSSSBOWARN-UHFFFAOYSA-N 1 3 373.501 0.917 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000672010813 493724430 /nfs/dbraw/zinc/72/44/30/493724430.db2.gz OSCWUFHQWQAYNM-HNNXBMFYSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000672012962 493724840 /nfs/dbraw/zinc/72/48/40/493724840.db2.gz DXLPKMWOQUWYIK-XIRDDKMYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CC[NH+](C)CC1 ZINC000672014991 493725406 /nfs/dbraw/zinc/72/54/06/493725406.db2.gz PZLDGTFAAAVDEX-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310091 493754329 /nfs/dbraw/zinc/75/43/29/493754329.db2.gz GKBJMKITNJELDD-JKSUJKDBSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310091 493754330 /nfs/dbraw/zinc/75/43/30/493754330.db2.gz GKBJMKITNJELDD-JKSUJKDBSA-N 1 3 350.507 0.824 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419926670 536449033 /nfs/dbraw/zinc/44/90/33/536449033.db2.gz BOCJOIOXOJEGNG-CQSZACIVSA-N 1 3 352.454 0.688 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000410494960 527804671 /nfs/dbraw/zinc/80/46/71/527804671.db2.gz UBDDVXZZYHRWTJ-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000410494960 527804678 /nfs/dbraw/zinc/80/46/78/527804678.db2.gz UBDDVXZZYHRWTJ-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000410845230 527805096 /nfs/dbraw/zinc/80/50/96/527805096.db2.gz QMQVWNMIESDFTK-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000410845230 527805104 /nfs/dbraw/zinc/80/51/04/527805104.db2.gz QMQVWNMIESDFTK-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO CC[NH+](CC)CCCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413034440 528108360 /nfs/dbraw/zinc/10/83/60/528108360.db2.gz MPMZYONCXSQZEW-UHFFFAOYSA-N 1 3 369.554 0.814 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000410839569 528147784 /nfs/dbraw/zinc/14/77/84/528147784.db2.gz CNMNRQFSZHYXKR-YESZJQIVSA-N 1 3 366.506 0.108 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410883693 528890708 /nfs/dbraw/zinc/89/07/08/528890708.db2.gz IJWCFXFRGWNYGR-UHFFFAOYSA-N 1 3 356.511 0.354 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000263239672 529037342 /nfs/dbraw/zinc/03/73/42/529037342.db2.gz KSWJVCIDDNNSRZ-INIZCTEOSA-N 1 3 354.495 0.237 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419282717 535219109 /nfs/dbraw/zinc/21/91/09/535219109.db2.gz IOSHZBXLEJKFIM-IRXDYDNUSA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419591561 535502341 /nfs/dbraw/zinc/50/23/41/535502341.db2.gz RILYHERJUGVPTR-HNNXBMFYSA-N 1 3 354.495 0.333 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]2CN)CC1 ZINC000423641626 535543076 /nfs/dbraw/zinc/54/30/76/535543076.db2.gz HPMJFSFYXBYOMT-HNNXBMFYSA-N 1 3 354.495 0.286 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1CN)CC(C)C ZINC000419128215 535669152 /nfs/dbraw/zinc/66/91/52/535669152.db2.gz VOLOYEVIKIAXGO-IKGGRYGDSA-N 1 3 370.538 0.824 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419837647 535709624 /nfs/dbraw/zinc/70/96/24/535709624.db2.gz WXBLKEPRVUNTOM-IAGOWNOFSA-N 1 3 369.554 0.208 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415301692 535750531 /nfs/dbraw/zinc/75/05/31/535750531.db2.gz BRQXXMGUQUTTOC-INIZCTEOSA-N 1 3 359.474 0.635 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423362001 535868424 /nfs/dbraw/zinc/86/84/24/535868424.db2.gz HMGJSAIWJCXVLM-LSDHHAIUSA-N 1 3 364.515 0.706 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cn1 ZINC000430792407 535883099 /nfs/dbraw/zinc/88/30/99/535883099.db2.gz RDDUGHAZWRNDDZ-CVEARBPZSA-N 1 3 364.494 0.797 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000419655021 535902744 /nfs/dbraw/zinc/90/27/44/535902744.db2.gz HBSVKHQKTIEMPT-MRXNPFEDSA-N 1 3 362.474 0.154 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)C[C@H]21 ZINC000453942231 535906667 /nfs/dbraw/zinc/90/66/67/535906667.db2.gz VWSNBCXTJDOPGT-WMLDXEAASA-N 1 3 360.458 0.728 20 0 FCADHO CN(C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000419227985 535944099 /nfs/dbraw/zinc/94/40/99/535944099.db2.gz LOBWMLKTTAMUEI-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000419653678 536417095 /nfs/dbraw/zinc/41/70/95/536417095.db2.gz FTUAWHQPDAHDON-INIZCTEOSA-N 1 3 362.474 0.106 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419769852 536481629 /nfs/dbraw/zinc/48/16/29/536481629.db2.gz WGOPUQOLCBRWGH-ROUUACIJSA-N 1 3 374.485 0.199 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419751276 536746957 /nfs/dbraw/zinc/74/69/57/536746957.db2.gz KEYICNMVKGBXDA-GDBMZVCRSA-N 1 3 368.522 0.626 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940993 547075398 /nfs/dbraw/zinc/07/53/98/547075398.db2.gz RFRLFXVNHYAUCX-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549940993 547075404 /nfs/dbraw/zinc/07/54/04/547075404.db2.gz RFRLFXVNHYAUCX-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000549966118 547075898 /nfs/dbraw/zinc/07/58/98/547075898.db2.gz YJFAZQUYSAIYOB-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000549966118 547075899 /nfs/dbraw/zinc/07/58/99/547075899.db2.gz YJFAZQUYSAIYOB-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550665739 547095742 /nfs/dbraw/zinc/09/57/42/547095742.db2.gz NJPWSYKAUCQIRR-INIZCTEOSA-N 1 3 353.488 0.758 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000550687423 547097664 /nfs/dbraw/zinc/09/76/64/547097664.db2.gz FXELZYDFMDGPKA-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550838230 547109717 /nfs/dbraw/zinc/10/97/17/547109717.db2.gz AFNYGRMKZQSDRC-RHSMWYFYSA-N 1 3 356.536 0.483 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882872 598530061 /nfs/dbraw/zinc/53/00/61/598530061.db2.gz USAOZUIWUSNSAN-UONOGXRCSA-N 1 3 359.482 0.815 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882872 598530063 /nfs/dbraw/zinc/53/00/63/598530063.db2.gz USAOZUIWUSNSAN-UONOGXRCSA-N 1 3 359.482 0.815 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000951095797 674448964 /nfs/dbraw/zinc/44/89/64/674448964.db2.gz UWVUZYXJLNOOGB-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000951095797 674448966 /nfs/dbraw/zinc/44/89/66/674448966.db2.gz UWVUZYXJLNOOGB-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000954413270 674497122 /nfs/dbraw/zinc/49/71/22/674497122.db2.gz XDHCPGNKCAUHOI-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000954413270 674497124 /nfs/dbraw/zinc/49/71/24/674497124.db2.gz XDHCPGNKCAUHOI-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000955342542 674511191 /nfs/dbraw/zinc/51/11/91/674511191.db2.gz YUIQVCBTKLAYJY-BHYGNILZSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000955342542 674511196 /nfs/dbraw/zinc/51/11/96/674511196.db2.gz YUIQVCBTKLAYJY-BHYGNILZSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000956386705 674522521 /nfs/dbraw/zinc/52/25/21/674522521.db2.gz QYMBFRKMAWRVCV-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000956386705 674522524 /nfs/dbraw/zinc/52/25/24/674522524.db2.gz QYMBFRKMAWRVCV-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000892001053 663465644 /nfs/dbraw/zinc/46/56/44/663465644.db2.gz UFAMAXXGLHIEHG-OAHLLOKOSA-N 1 3 351.495 0.501 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442058 663902699 /nfs/dbraw/zinc/90/26/99/663902699.db2.gz QUKJUHOCHDXRCB-BZUAXINKSA-N 1 3 351.495 0.452 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892446691 663911512 /nfs/dbraw/zinc/91/15/12/663911512.db2.gz OAPHMWUZAWHGEZ-WKILWMFISA-N 1 3 353.511 0.700 20 0 FCADHO C[C@H]1CC[N@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649377 664058810 /nfs/dbraw/zinc/05/88/10/664058810.db2.gz LDAMPWZVZLYQNL-JKSUJKDBSA-N 1 3 353.511 0.570 20 0 FCADHO C[C@H]1CC[N@@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649377 664058814 /nfs/dbraw/zinc/05/88/14/664058814.db2.gz LDAMPWZVZLYQNL-JKSUJKDBSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892651517 664059087 /nfs/dbraw/zinc/05/90/87/664059087.db2.gz ZJJYHDAZCMNMEK-ARFHVFGLSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892651517 664059090 /nfs/dbraw/zinc/05/90/90/664059090.db2.gz ZJJYHDAZCMNMEK-ARFHVFGLSA-N 1 3 351.495 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000973331350 664098397 /nfs/dbraw/zinc/09/83/97/664098397.db2.gz RFYCTIRNYYSHNN-KLHDSHLOSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000973331350 664098399 /nfs/dbraw/zinc/09/83/99/664098399.db2.gz RFYCTIRNYYSHNN-KLHDSHLOSA-N 1 3 350.507 0.822 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423617639 664446378 /nfs/dbraw/zinc/44/63/78/664446378.db2.gz WCLWCIMSAKYCSN-SFHVURJKSA-N 1 3 364.515 0.993 20 0 FCADHO C[C@@H](NS(=O)(=O)N1CCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205252 664837681 /nfs/dbraw/zinc/83/76/81/664837681.db2.gz CRBJCXVNLLRYMB-WBVHZDCISA-N 1 3 352.504 0.637 20 0 FCADHO C[C@@H](NS(=O)(=O)N1CCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205252 664837683 /nfs/dbraw/zinc/83/76/83/664837683.db2.gz CRBJCXVNLLRYMB-WBVHZDCISA-N 1 3 352.504 0.637 20 0 FCADHO Cn1nc(Br)nc1CN[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894255226 664938135 /nfs/dbraw/zinc/93/81/35/664938135.db2.gz VPKBZMQKGSSQIY-NSHDSACASA-N 1 3 357.300 0.836 20 0 FCADHO Cn1nc(Br)nc1CN[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894255226 664938136 /nfs/dbraw/zinc/93/81/36/664938136.db2.gz VPKBZMQKGSSQIY-NSHDSACASA-N 1 3 357.300 0.836 20 0 FCADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CCN([C@@H]2CCOC2)CC1 ZINC000925000562 664956253 /nfs/dbraw/zinc/95/62/53/664956253.db2.gz NZPXUAFZRLQZJE-HZPDHXFCSA-N 1 3 350.463 0.646 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)CN1CCCC1 ZINC000987964735 665271795 /nfs/dbraw/zinc/27/17/95/665271795.db2.gz WHDRMQYVJBULEF-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000988084561 665274484 /nfs/dbraw/zinc/27/44/84/665274484.db2.gz FEFWJZWGCQZQOV-IKGGRYGDSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000988084561 665274485 /nfs/dbraw/zinc/27/44/85/665274485.db2.gz FEFWJZWGCQZQOV-IKGGRYGDSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000988783689 665314656 /nfs/dbraw/zinc/31/46/56/665314656.db2.gz WTNZMDYNNXXAII-INMHGKMJSA-N 1 3 350.507 0.918 20 0 FCADHO CNC[C@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353754 666018172 /nfs/dbraw/zinc/01/81/72/666018172.db2.gz JKZHKZNTLFLUMJ-WMZOPIPTSA-N 1 3 351.447 0.320 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000907041432 666088596 /nfs/dbraw/zinc/08/85/96/666088596.db2.gz AALROIVZTPKBGO-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000907041432 666088597 /nfs/dbraw/zinc/08/85/97/666088597.db2.gz AALROIVZTPKBGO-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000911336795 666335090 /nfs/dbraw/zinc/33/50/90/666335090.db2.gz NNNWICWKFRSMIH-HZPDHXFCSA-N 1 3 352.479 0.004 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000991429502 666504502 /nfs/dbraw/zinc/50/45/02/666504502.db2.gz NXIZKWQZGNMCSN-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000991429502 666504504 /nfs/dbraw/zinc/50/45/04/666504504.db2.gz NXIZKWQZGNMCSN-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCN3C(C)C)C2)CC[N@@H+]1C ZINC000991492678 666539609 /nfs/dbraw/zinc/53/96/09/666539609.db2.gz OKPTUEBRXOFDSU-GVDBMIGSSA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCN3C(C)C)C2)CC[N@H+]1C ZINC000991492678 666539610 /nfs/dbraw/zinc/53/96/10/666539610.db2.gz OKPTUEBRXOFDSU-GVDBMIGSSA-N 1 3 350.507 0.917 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000916664462 667016288 /nfs/dbraw/zinc/01/62/88/667016288.db2.gz YMJXRRREGGHPLY-JKSUJKDBSA-N 1 3 369.535 0.634 20 0 FCADHO C[C@@H]1CN(C)C(=O)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000782577008 668568853 /nfs/dbraw/zinc/56/88/53/668568853.db2.gz ZBPNLOGRCRFWRQ-CQSZACIVSA-N 1 3 351.495 0.417 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806597194 669422382 /nfs/dbraw/zinc/42/23/82/669422382.db2.gz FANXVGHEWDAVDV-UHFFFAOYSA-N 1 3 369.897 0.346 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)N1CCCCC1 ZINC000842015799 670625863 /nfs/dbraw/zinc/62/58/63/670625863.db2.gz NMTGHWYJXHRGPT-HNNXBMFYSA-N 1 3 354.495 0.333 20 0 FCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1[C@H]1CCCOC1)C2=O ZINC000842619128 670702958 /nfs/dbraw/zinc/70/29/58/670702958.db2.gz UHMGARYZSMYIOT-LSDHHAIUSA-N 1 3 350.463 0.851 20 0 FCADHO CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)CC(C)(C)C[NH3+] ZINC000843355275 670804745 /nfs/dbraw/zinc/80/47/45/670804745.db2.gz PFQPETROVWNYRY-UHFFFAOYSA-N 1 3 353.467 0.579 20 0 FCADHO CC(C)N(CCCNC(=O)CN1CCC2(C1)CC[NH2+]CC2)S(C)(=O)=O ZINC000843363618 670807352 /nfs/dbraw/zinc/80/73/52/670807352.db2.gz CTRRWKHGOQQNHL-UHFFFAOYSA-N 1 3 374.551 0.238 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364945 670807931 /nfs/dbraw/zinc/80/79/31/670807931.db2.gz WZKPHDGTSUUJIV-CHWSQXEVSA-N 1 3 351.451 0.332 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000861739736 671989234 /nfs/dbraw/zinc/98/92/34/671989234.db2.gz LGWIYPSIDWQGHQ-AWEZNQCLSA-N 1 3 356.536 0.660 20 0 FCADHO CN1CCN(C[C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740726 675966104 /nfs/dbraw/zinc/96/61/04/675966104.db2.gz KJFKOOVYJJJMHD-ROUUACIJSA-N 1 3 352.523 0.093 20 0 FCADHO O=C1[C@H](N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574470 672139874 /nfs/dbraw/zinc/13/98/74/672139874.db2.gz JICZJEIGWFGYQY-QZTJIDSGSA-N 1 3 351.491 0.857 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055347835 676017080 /nfs/dbraw/zinc/01/70/80/676017080.db2.gz FQRWANZWNGTLDN-WCXIOVBPSA-N 1 3 350.507 0.585 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055347835 676017083 /nfs/dbraw/zinc/01/70/83/676017083.db2.gz FQRWANZWNGTLDN-WCXIOVBPSA-N 1 3 350.507 0.585 20 0 FCADHO O=C(CN1CCCC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000874468289 672787232 /nfs/dbraw/zinc/78/72/32/672787232.db2.gz WUDUKBOMADVGSK-UHFFFAOYSA-N 1 3 350.507 0.923 20 0 FCADHO CCN1CC[C@@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420538 676071384 /nfs/dbraw/zinc/07/13/84/676071384.db2.gz KSDOQOLXVSYQME-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@@H](N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420538 676071388 /nfs/dbraw/zinc/07/13/88/676071388.db2.gz KSDOQOLXVSYQME-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001421440 676071622 /nfs/dbraw/zinc/07/16/22/676071622.db2.gz YARQBSPAWKHXGU-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001421440 676071624 /nfs/dbraw/zinc/07/16/24/676071624.db2.gz YARQBSPAWKHXGU-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248664 673107163 /nfs/dbraw/zinc/10/71/63/673107163.db2.gz WQKQEQIJXFZACS-HZPDHXFCSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000888870080 673219297 /nfs/dbraw/zinc/21/92/97/673219297.db2.gz LFQCMTCNZUPUCV-HNNXBMFYSA-N 1 3 353.511 0.870 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883439367 673375572 /nfs/dbraw/zinc/37/55/72/673375572.db2.gz PTZDIZUQNXLVOL-YHUYYLMFSA-N 1 3 351.447 0.582 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCNCCC12CCC2 ZINC000883479267 673378735 /nfs/dbraw/zinc/37/87/35/673378735.db2.gz SMUGDUBBWIRRKS-UHFFFAOYSA-N 1 3 369.535 0.968 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659463 673390013 /nfs/dbraw/zinc/39/00/13/673390013.db2.gz JDVPVMAUBFTDHX-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659463 673390016 /nfs/dbraw/zinc/39/00/16/673390016.db2.gz JDVPVMAUBFTDHX-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560394 673462289 /nfs/dbraw/zinc/46/22/89/673462289.db2.gz WULPOIOTZSLCFG-HUUCEWRRSA-N 1 3 352.479 0.086 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884617170 673466209 /nfs/dbraw/zinc/46/62/09/673466209.db2.gz IYIVTHNCNALDPK-XQQFMLRXSA-N 1 3 364.412 0.573 20 0 FCADHO C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CCN(C)CC1 ZINC000884623513 673466963 /nfs/dbraw/zinc/46/69/63/673466963.db2.gz FWMPUSVELCETGH-WCFLWFBJSA-N 1 3 362.396 0.349 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664740 673470738 /nfs/dbraw/zinc/47/07/38/673470738.db2.gz TZQJUCIRXDMLRK-FZKCQIBNSA-N 1 3 350.507 0.870 20 0 FCADHO CN1CCN(C(C)(C)CN2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925279209 673785752 /nfs/dbraw/zinc/78/57/52/673785752.db2.gz LZVQDSDEIDATSS-HNNXBMFYSA-N 1 3 351.495 0.419 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926380092 673828066 /nfs/dbraw/zinc/82/80/66/673828066.db2.gz KVMPBLNZNIJJEJ-CQSZACIVSA-N 1 3 352.504 0.836 20 0 FCADHO COc1cc(N2C(=O)N[C@@H](CN(C)C)C2=O)ccc1OCC[NH+](C)C ZINC000927253030 673857510 /nfs/dbraw/zinc/85/75/10/673857510.db2.gz KDHCJUVFJQNDIH-ZDUSSCGKSA-N 1 3 350.419 0.622 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC[N@@H+]1C ZINC001011211782 675377336 /nfs/dbraw/zinc/37/73/36/675377336.db2.gz MEBPTLBALJEBTM-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC[N@H+]1C ZINC001011211782 675377339 /nfs/dbraw/zinc/37/73/39/675377339.db2.gz MEBPTLBALJEBTM-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC001011211584 675377382 /nfs/dbraw/zinc/37/73/82/675377382.db2.gz BFYFMULXVYTWPX-BBWFWOEESA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC001011211584 675377383 /nfs/dbraw/zinc/37/73/83/675377383.db2.gz BFYFMULXVYTWPX-BBWFWOEESA-N 1 3 350.507 0.728 20 0 FCADHO Cn1nncc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167092527 1168161515 /nfs/dbraw/zinc/16/15/15/1168161515.db2.gz HCRYFTKSNMQRKY-MSOLQXFVSA-N 1 3 356.474 0.756 20 0 FCADHO Cn1nncc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167092527 1168161520 /nfs/dbraw/zinc/16/15/20/1168161520.db2.gz HCRYFTKSNMQRKY-MSOLQXFVSA-N 1 3 356.474 0.756 20 0 FCADHO CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691079233 1170731000 /nfs/dbraw/zinc/73/10/00/1170731000.db2.gz JOGMONGVOVGCRB-DJIMGWMZSA-N 1 3 354.495 0.060 20 0 FCADHO CC(=O)NCCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691079233 1170731010 /nfs/dbraw/zinc/73/10/10/1170731010.db2.gz JOGMONGVOVGCRB-DJIMGWMZSA-N 1 3 354.495 0.060 20 0 FCADHO NC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000891999351 1171456972 /nfs/dbraw/zinc/45/69/72/1171456972.db2.gz BLPOZFDEZBFHBM-CHWSQXEVSA-N 1 3 371.489 0.873 20 0 FCADHO NC(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000891999351 1171456975 /nfs/dbraw/zinc/45/69/75/1171456975.db2.gz BLPOZFDEZBFHBM-CHWSQXEVSA-N 1 3 371.489 0.873 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892155788 1171658466 /nfs/dbraw/zinc/65/84/66/1171658466.db2.gz KGCCJYZOTJYTSF-CYBMUJFWSA-N 1 3 373.448 0.499 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC001022723648 1171817612 /nfs/dbraw/zinc/81/76/12/1171817612.db2.gz BIHXBEUYQWLCEH-XYJFISCASA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC001022723648 1171817615 /nfs/dbraw/zinc/81/76/15/1171817615.db2.gz BIHXBEUYQWLCEH-XYJFISCASA-N 1 3 362.518 0.872 20 0 FCADHO CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433772 1172143034 /nfs/dbraw/zinc/14/30/34/1172143034.db2.gz WXTGCOSWTSAZGC-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897544513 1192747279 /nfs/dbraw/zinc/74/72/79/1192747279.db2.gz ABONYHURTABFHV-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897544513 1192747284 /nfs/dbraw/zinc/74/72/84/1192747284.db2.gz ABONYHURTABFHV-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)N1C ZINC000459989766 1192784503 /nfs/dbraw/zinc/78/45/03/1192784503.db2.gz LHTCHWHTVWEXSY-IYBDPMFKSA-N 1 3 367.538 0.022 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)N1C ZINC000459989766 1192784510 /nfs/dbraw/zinc/78/45/10/1192784510.db2.gz LHTCHWHTVWEXSY-IYBDPMFKSA-N 1 3 367.538 0.022 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495541 1181345754 /nfs/dbraw/zinc/34/57/54/1181345754.db2.gz QVZIWPCVKBBMNR-JKSUJKDBSA-N 1 3 365.522 0.713 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892497737 1181352351 /nfs/dbraw/zinc/35/23/51/1181352351.db2.gz WMCRHHMCJPRNOB-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC1CCS(=O)(=O)CC1 ZINC001480976117 1181860184 /nfs/dbraw/zinc/86/01/84/1181860184.db2.gz URJLTMKMAIXLRO-GDBMZVCRSA-N 1 3 359.536 0.590 20 0 FCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC1CCS(=O)(=O)CC1 ZINC001480976117 1181860188 /nfs/dbraw/zinc/86/01/88/1181860188.db2.gz URJLTMKMAIXLRO-GDBMZVCRSA-N 1 3 359.536 0.590 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676251 1182358708 /nfs/dbraw/zinc/35/87/08/1182358708.db2.gz BMORPZNLKHQAED-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@H](O)Cn1cccn1 ZINC001104732107 1182408143 /nfs/dbraw/zinc/40/81/43/1182408143.db2.gz OIVIJYFKZIKGDR-INMHGKMJSA-N 1 3 360.462 0.284 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+]1CCCCC1 ZINC000728747369 1182961465 /nfs/dbraw/zinc/96/14/65/1182961465.db2.gz MKYYETLVORRAJZ-QGZVFWFLSA-N 1 3 365.522 0.810 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001104938664 1183013158 /nfs/dbraw/zinc/01/31/58/1183013158.db2.gz AIVDRJPHFBWVOB-KURKYZTESA-N 1 3 365.522 0.660 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001691766611 1183243754 /nfs/dbraw/zinc/24/37/54/1183243754.db2.gz XVPWIQHIQQKXHS-RBSFLKMASA-N 1 3 356.511 0.291 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001211695215 1186214451 /nfs/dbraw/zinc/21/44/51/1186214451.db2.gz QJWXWOKJOSWPON-GBESFXJTSA-N 1 3 363.502 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN(C)CC(C)(C)C)CC[N@@H+]1C ZINC001058850531 1186253578 /nfs/dbraw/zinc/25/35/78/1186253578.db2.gz UPPSMBHIMBCQSL-HZPDHXFCSA-N 1 3 370.538 0.242 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN(C)CC(C)(C)C)CC[N@H+]1C ZINC001058850531 1186253585 /nfs/dbraw/zinc/25/35/85/1186253585.db2.gz UPPSMBHIMBCQSL-HZPDHXFCSA-N 1 3 370.538 0.242 20 0 FCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1 ZINC001211709693 1186687985 /nfs/dbraw/zinc/68/79/85/1186687985.db2.gz VOYKKYOFHKMVRK-RYQLBKOJSA-N 1 3 370.497 0.801 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)CC1 ZINC001270236579 1188057421 /nfs/dbraw/zinc/05/74/21/1188057421.db2.gz BXQAXVGHMYVUTF-LJQANCHMSA-N 1 3 366.506 0.110 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001270668838 1188251243 /nfs/dbraw/zinc/25/12/43/1188251243.db2.gz ZVDMWJWMGNYNOL-QXAKKESOSA-N 1 3 360.502 0.659 20 0 FCADHO C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C(=O)NC1CC1 ZINC001112535848 1188322964 /nfs/dbraw/zinc/32/29/64/1188322964.db2.gz DHSIIPZBAZUZOO-NJSLBKSFSA-N 1 3 359.474 0.838 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@@H+]1C ZINC001075810470 1189521747 /nfs/dbraw/zinc/52/17/47/1189521747.db2.gz GKVYBMPJPSHSNT-BZZMCLGOSA-N 1 3 358.486 0.758 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@H+]1C ZINC001075810470 1189521756 /nfs/dbraw/zinc/52/17/56/1189521756.db2.gz GKVYBMPJPSHSNT-BZZMCLGOSA-N 1 3 358.486 0.758 20 0 FCADHO Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@@H]3C2)n1 ZINC001087908793 1189894146 /nfs/dbraw/zinc/89/41/46/1189894146.db2.gz NLFYLHMFBIOJSA-SQNIBIBYSA-N 1 3 360.506 0.769 20 0 FCADHO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@@H]3C2)n1 ZINC001087908793 1189894149 /nfs/dbraw/zinc/89/41/49/1189894149.db2.gz NLFYLHMFBIOJSA-SQNIBIBYSA-N 1 3 360.506 0.769 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908955 1189895457 /nfs/dbraw/zinc/89/54/57/1189895457.db2.gz UEHBWNPHHVMVEY-OWCLPIDISA-N 1 3 362.474 0.010 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908955 1189895458 /nfs/dbraw/zinc/89/54/58/1189895458.db2.gz UEHBWNPHHVMVEY-OWCLPIDISA-N 1 3 362.474 0.010 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)CC[C@@H]3C2)CCC1 ZINC001087992622 1190143846 /nfs/dbraw/zinc/14/38/46/1190143846.db2.gz CNMLXSZPINNELY-IXDOHACOSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)CC[C@@H]3C2)CCC1 ZINC001087992622 1190143848 /nfs/dbraw/zinc/14/38/48/1190143848.db2.gz CNMLXSZPINNELY-IXDOHACOSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)N(C)C ZINC000986424243 1190986575 /nfs/dbraw/zinc/98/65/75/1190986575.db2.gz JBMQIPKOEXGUTF-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@@H]2C=CC[NH2+]C2)cc1)C(N)=O ZINC001218337610 1224154794 /nfs/dbraw/zinc/15/47/94/1224154794.db2.gz NXPDJZCFBWWOTD-SQNIBIBYSA-N 1 3 374.485 0.479 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000550682346 1193733107 /nfs/dbraw/zinc/73/31/07/1193733107.db2.gz YSKMPBJJWYYQIV-MRXNPFEDSA-N 1 3 368.522 0.282 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000550682346 1193733111 /nfs/dbraw/zinc/73/31/11/1193733111.db2.gz YSKMPBJJWYYQIV-MRXNPFEDSA-N 1 3 368.522 0.282 20 0 FCADHO CC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])o1 ZINC001218508362 1224165036 /nfs/dbraw/zinc/16/50/36/1224165036.db2.gz PCVLQWPEZDJVEP-RYUDHWBXSA-N 1 3 366.466 0.753 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1[nH]nc2cccnc21 ZINC001218524389 1224167563 /nfs/dbraw/zinc/16/75/63/1224167563.db2.gz YFSWDKSNBOZFIZ-AAEUAGOBSA-N 1 3 359.434 0.344 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C[C@H]1CCc2ncnn21 ZINC001088703036 1193803270 /nfs/dbraw/zinc/80/32/70/1193803270.db2.gz YCDDIZXQNFHZRL-OAGGEKHMSA-N 1 3 358.490 0.973 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(CC(N)=O)c3)CC2)CC1 ZINC000552998862 1193964231 /nfs/dbraw/zinc/96/42/31/1193964231.db2.gz OXENXDOKLFZWHC-UHFFFAOYSA-N 1 3 362.478 0.503 20 0 FCADHO CCNc1nc(NC[C@@H](O)C[NH+]2CCC(C)CC2)nc(NC(C)(C)C)n1 ZINC000553058623 1193969049 /nfs/dbraw/zinc/96/90/49/1193969049.db2.gz HBPLUDSHMMZECZ-CQSZACIVSA-N 1 3 365.526 0.862 20 0 FCADHO CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@H](N)CCCC[NH3+])ccn2)c1 ZINC001218622469 1224183578 /nfs/dbraw/zinc/18/35/78/1224183578.db2.gz SQBZEYOGFGQXQL-AWEZNQCLSA-N 1 3 360.418 0.839 20 0 FCADHO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218662146 1224191875 /nfs/dbraw/zinc/19/18/75/1224191875.db2.gz WJHIDLCNMHSJSD-AWEZNQCLSA-N 1 3 372.429 0.378 20 0 FCADHO COc1ccc(C)nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218662005 1224192424 /nfs/dbraw/zinc/19/24/24/1224192424.db2.gz UBWHQUFPRFBUIJ-KBPBESRZSA-N 1 3 363.462 0.784 20 0 FCADHO Nc1cccnc1N(C(=O)[C@H]1CC[C@@]2(C1)CNCCO2)C1CC[NH2+]CC1 ZINC001218695055 1224198208 /nfs/dbraw/zinc/19/82/08/1224198208.db2.gz KIMKBKOLLFWGCS-IFXJQAMLSA-N 1 3 359.474 0.908 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076161631 1194336636 /nfs/dbraw/zinc/33/66/36/1194336636.db2.gz RFHATMQXCKLXAO-RCCFBDPRSA-N 1 3 360.506 0.933 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076161631 1194336637 /nfs/dbraw/zinc/33/66/37/1194336637.db2.gz RFHATMQXCKLXAO-RCCFBDPRSA-N 1 3 360.506 0.933 20 0 FCADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC1 ZINC001076324608 1194396949 /nfs/dbraw/zinc/39/69/49/1194396949.db2.gz VXSKVFBAUMYOSG-ZWKOTPCHSA-N 1 3 362.518 0.873 20 0 FCADHO COCCCCN1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218845017 1224238754 /nfs/dbraw/zinc/23/87/54/1224238754.db2.gz RXVFPHSEVMSITH-ZWKOTPCHSA-N 1 3 369.506 0.435 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001218879144 1224244351 /nfs/dbraw/zinc/24/43/51/1224244351.db2.gz OONOFKDNCPBDOX-ZFWWWQNUSA-N 1 3 374.445 0.654 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CCC3CCOCC3)C[C@@H]21 ZINC001218971220 1224274954 /nfs/dbraw/zinc/27/49/54/1224274954.db2.gz UOHVICYUVGFHLY-ZWKOTPCHSA-N 1 3 369.506 0.293 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219420 1195328158 /nfs/dbraw/zinc/32/81/58/1195328158.db2.gz QDDAQLXBMWSHJI-RCCFBDPRSA-N 1 3 365.518 0.983 20 0 FCADHO N[C@H](C(=O)Nc1ccc2c3c1cccc3C(=O)NC2=O)C1CC[NH2+]CC1 ZINC001219005933 1224286895 /nfs/dbraw/zinc/28/68/95/1224286895.db2.gz YNAJGRBXAVBUEG-INIZCTEOSA-N 1 3 352.394 0.989 20 0 FCADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC000905147313 1195577471 /nfs/dbraw/zinc/57/74/71/1195577471.db2.gz UWTNNPOZJCSVQM-VQTJNVASSA-N 1 3 364.486 0.635 20 0 FCADHO O[C@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC000905147313 1195577478 /nfs/dbraw/zinc/57/74/78/1195577478.db2.gz UWTNNPOZJCSVQM-VQTJNVASSA-N 1 3 364.486 0.635 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000910828344 1195847605 /nfs/dbraw/zinc/84/76/05/1195847605.db2.gz IIBOMBXZGINOBR-XYJFISCASA-N 1 3 371.485 0.671 20 0 FCADHO O=C(C(=O)N1CC[C@@H](N2CCCC2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842528 1195849240 /nfs/dbraw/zinc/84/92/40/1195849240.db2.gz DRQVLUXVUTVJGY-QGZVFWFLSA-N 1 3 371.485 0.863 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N(C)Cc1ccccc1 ZINC000911010301 1195877941 /nfs/dbraw/zinc/87/79/41/1195877941.db2.gz XZJMDZNRMSLZHW-RYQLBKOJSA-N 1 3 358.486 0.691 20 0 FCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C[NH+]1CCCC1 ZINC000911231107 1195924589 /nfs/dbraw/zinc/92/45/89/1195924589.db2.gz TWGZBYKGCFFLJB-IAGOWNOFSA-N 1 3 358.486 0.966 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000911338297 1195943413 /nfs/dbraw/zinc/94/34/13/1195943413.db2.gz IRWMDIGFWQDYAB-RTBURBONSA-N 1 3 370.497 0.966 20 0 FCADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c21 ZINC000592958465 1196601021 /nfs/dbraw/zinc/60/10/21/1196601021.db2.gz CQQQEVCNBZCLSL-HNNXBMFYSA-N 1 3 374.489 0.099 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992990471 1197647507 /nfs/dbraw/zinc/64/75/07/1197647507.db2.gz FPBLWRYYMKHQJU-UMHPPVOVSA-N 1 3 359.474 0.599 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992990471 1197647520 /nfs/dbraw/zinc/64/75/20/1197647520.db2.gz FPBLWRYYMKHQJU-UMHPPVOVSA-N 1 3 359.474 0.599 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255214 1197793188 /nfs/dbraw/zinc/79/31/88/1197793188.db2.gz JVFKGOCAXYFVAG-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282160 1197825990 /nfs/dbraw/zinc/82/59/90/1197825990.db2.gz WBIZIARQHIZVHL-FMKPAKJESA-N 1 3 369.510 0.102 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106340381 1197870196 /nfs/dbraw/zinc/87/01/96/1197870196.db2.gz VEGSUULTLNWMKR-NVXWUHKLSA-N 1 3 370.538 0.554 20 0 FCADHO CCOC(=O)c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c2c1OCCO2 ZINC001219375513 1224445407 /nfs/dbraw/zinc/44/54/07/1224445407.db2.gz QMKKVNNCCBFOCU-AWEZNQCLSA-N 1 3 363.414 0.900 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1C ZINC001106591600 1198026384 /nfs/dbraw/zinc/02/63/84/1198026384.db2.gz GHEYGKBMWFNLQG-HUUCEWRRSA-N 1 3 362.522 0.903 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@H]1CCC3(CNC3)O1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501517 1224489165 /nfs/dbraw/zinc/48/91/65/1224489165.db2.gz VVLJYYATJIUKIU-AUUYWEPGSA-N 1 3 372.425 0.338 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1CNC[C@H](F)C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500508 1224489515 /nfs/dbraw/zinc/48/95/15/1224489515.db2.gz CHZNHSBFICCUHB-PISHQANHSA-N 1 3 362.405 0.765 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369681 1199131444 /nfs/dbraw/zinc/13/14/44/1199131444.db2.gz CWSQRYXYRZFYJG-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369681 1199131451 /nfs/dbraw/zinc/13/14/51/1199131451.db2.gz CWSQRYXYRZFYJG-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCc3ncnn32)CC1 ZINC001109651009 1200443453 /nfs/dbraw/zinc/44/34/53/1200443453.db2.gz FAHDFLFMIHNXDK-WCVJEAGWSA-N 1 3 358.490 0.829 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001109672333 1200460085 /nfs/dbraw/zinc/46/00/85/1200460085.db2.gz BZRUKBMZNCSAJF-LMSBXDPUSA-N 1 3 369.506 0.216 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001109672613 1200460477 /nfs/dbraw/zinc/46/04/77/1200460477.db2.gz MXBMSCGQJYJSAE-FZCLSBEQSA-N 1 3 365.474 0.830 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960987 1200638935 /nfs/dbraw/zinc/63/89/35/1200638935.db2.gz IKAYHCQLYQUFNB-XWSJACJDSA-N 1 3 365.518 0.837 20 0 FCADHO CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982704 1200675815 /nfs/dbraw/zinc/67/58/15/1200675815.db2.gz OPAHWOXVKUCNBT-OWSLCNJRSA-N 1 3 365.518 0.837 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001110002556 1200694546 /nfs/dbraw/zinc/69/45/46/1200694546.db2.gz LOJYNOBZQJMLLL-BDXSIMOUSA-N 1 3 363.506 0.697 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000785521359 1200766328 /nfs/dbraw/zinc/76/63/28/1200766328.db2.gz VILPRKGWVLTOOE-DLBZAZTESA-N 1 3 366.506 0.204 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586143 1200822393 /nfs/dbraw/zinc/82/23/93/1200822393.db2.gz JLJXZUINPMLTRS-KSSFIOAISA-N 1 3 367.494 0.001 20 0 FCADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000788460777 1200961648 /nfs/dbraw/zinc/96/16/48/1200961648.db2.gz PZJJKIHRBQMURI-QZTJIDSGSA-N 1 3 374.485 0.344 20 0 FCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837092 1224647500 /nfs/dbraw/zinc/64/75/00/1224647500.db2.gz HRDGSVDYLUXURY-AYOQOUSVSA-N 1 3 365.449 0.597 20 0 FCADHO O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847387 1224652087 /nfs/dbraw/zinc/65/20/87/1224652087.db2.gz FURAZYFWXKUPCR-MUPNANLLSA-N 1 3 359.470 0.959 20 0 FCADHO [NH3+]C1CCN(C(=O)c2ccc(C(=O)N[C@H]3CC[C@@H]4NCCO[C@@H]34)cc2)CC1 ZINC001219849996 1224653996 /nfs/dbraw/zinc/65/39/96/1224653996.db2.gz KYSZVVWCFSEIJG-OKZBNKHCSA-N 1 3 372.469 0.499 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400742 1201306761 /nfs/dbraw/zinc/30/67/61/1201306761.db2.gz ZFKITVLSCQQJTH-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400742 1201306766 /nfs/dbraw/zinc/30/67/66/1201306766.db2.gz ZFKITVLSCQQJTH-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129850208 1201405086 /nfs/dbraw/zinc/40/50/86/1201405086.db2.gz RYJLYRMPNNDUIU-KURKYZTESA-N 1 3 358.490 0.928 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838125 1201410474 /nfs/dbraw/zinc/41/04/74/1201410474.db2.gz ROEDZBIAVFUFHR-IKGGRYGDSA-N 1 3 364.494 0.529 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892332 1201415917 /nfs/dbraw/zinc/41/59/17/1201415917.db2.gz RWHCCVBJHXDYAG-IKGGRYGDSA-N 1 3 364.494 0.386 20 0 FCADHO CC[C@H](C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894508 1201428450 /nfs/dbraw/zinc/42/84/50/1201428450.db2.gz IEMJYOFJURMSSD-OAGGEKHMSA-N 1 3 364.494 0.529 20 0 FCADHO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894509 1201428883 /nfs/dbraw/zinc/42/88/83/1201428883.db2.gz IEMJYOFJURMSSD-XHSDSOJGSA-N 1 3 364.494 0.529 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012016 1201471085 /nfs/dbraw/zinc/47/10/85/1201471085.db2.gz JKTNDPGIJVMGHL-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011967 1201471411 /nfs/dbraw/zinc/47/14/11/1201471411.db2.gz HCKPFGAXVKKAQU-OAGGEKHMSA-N 1 3 366.510 0.632 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007639 1201476754 /nfs/dbraw/zinc/47/67/54/1201476754.db2.gz OKUOXAJUGRGIPB-IKGGRYGDSA-N 1 3 364.494 0.529 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007295 1201477002 /nfs/dbraw/zinc/47/70/02/1201477002.db2.gz HWEYQRAHPMLIRO-IKGGRYGDSA-N 1 3 366.510 0.632 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130047545 1201486748 /nfs/dbraw/zinc/48/67/48/1201486748.db2.gz GJAQTUKOHPGCPI-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCCN2C)n1 ZINC001130223411 1201551880 /nfs/dbraw/zinc/55/18/80/1201551880.db2.gz SBFLMBDDPHROOS-KKUMJFAQSA-N 1 3 364.494 0.777 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130237776 1201560236 /nfs/dbraw/zinc/56/02/36/1201560236.db2.gz DMBSCUDHZNDMSX-ILXRZTDVSA-N 1 3 364.494 0.635 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130237776 1201560238 /nfs/dbraw/zinc/56/02/38/1201560238.db2.gz DMBSCUDHZNDMSX-ILXRZTDVSA-N 1 3 364.494 0.635 20 0 FCADHO CC(C)[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[n-]1 ZINC001130251521 1201570527 /nfs/dbraw/zinc/57/05/27/1201570527.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 1 3 364.494 0.633 20 0 FCADHO CC(C)[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[n-]1 ZINC001130251521 1201570530 /nfs/dbraw/zinc/57/05/30/1201570530.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 1 3 364.494 0.633 20 0 FCADHO COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCCC1 ZINC001220047672 1224736893 /nfs/dbraw/zinc/73/68/93/1224736893.db2.gz BRDASJXLGPRDJH-KBPBESRZSA-N 1 3 368.478 0.036 20 0 FCADHO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130685521 1202753763 /nfs/dbraw/zinc/75/37/63/1202753763.db2.gz WZFUTJKJLJDXCP-UKPHBRMFSA-N 1 3 360.462 0.431 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130734431 1202768577 /nfs/dbraw/zinc/76/85/77/1202768577.db2.gz PGHDXEGGGHIEEP-CGTJXYLNSA-N 1 3 363.506 0.825 20 0 FCADHO CCCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564747 1202914830 /nfs/dbraw/zinc/91/48/30/1202914830.db2.gz UCELLMVMXXKPFA-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1)N(C)C ZINC001131570678 1202915392 /nfs/dbraw/zinc/91/53/92/1202915392.db2.gz NKWYGROQTNHENY-SQNIBIBYSA-N 1 3 371.522 0.321 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131609006 1202920604 /nfs/dbraw/zinc/92/06/04/1202920604.db2.gz UKGMVMFKAGMZHS-RYRKJORJSA-N 1 3 366.506 0.201 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000817926530 1203126628 /nfs/dbraw/zinc/12/66/28/1203126628.db2.gz MGUZMRUSLPURDH-RBUKOAKNSA-N 1 3 372.513 0.830 20 0 FCADHO COc1ccc(OC)c([C@@H](O)C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000819004968 1203147724 /nfs/dbraw/zinc/14/77/24/1203147724.db2.gz VXRLEEVVCCFWJW-PBHICJAKSA-N 1 3 365.474 0.914 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2ccccn2)CC1 ZINC001220137258 1224783339 /nfs/dbraw/zinc/78/33/39/1224783339.db2.gz YVJYYZABRMBXIF-GJZGRUSLSA-N 1 3 359.474 0.634 20 0 FCADHO O=C(NC1(CCO)COC1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220173320 1224793777 /nfs/dbraw/zinc/79/37/77/1224793777.db2.gz MUWYRKCMIGKEBW-WIYYLYMNSA-N 1 3 373.497 0.756 20 0 FCADHO COC(=O)[C@@]1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCN(Cc2ccccc2)C1 ZINC001220228253 1224809601 /nfs/dbraw/zinc/80/96/01/1224809601.db2.gz GFEAMKDWLIHPAL-YAJHFMINSA-N 1 3 372.469 0.142 20 0 FCADHO COc1coc(CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001091037084 1204450333 /nfs/dbraw/zinc/45/03/33/1204450333.db2.gz FBIXWKWKOJVRNM-UWLZSVRSSA-N 1 3 363.458 0.973 20 0 FCADHO COc1coc(CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001091037084 1204450337 /nfs/dbraw/zinc/45/03/37/1204450337.db2.gz FBIXWKWKOJVRNM-UWLZSVRSSA-N 1 3 363.458 0.973 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000846143278 1204596249 /nfs/dbraw/zinc/59/62/49/1204596249.db2.gz DDDAPIPZGSNEAQ-ZKXLYKBJSA-N 1 3 366.506 0.778 20 0 FCADHO O=C(CN1CC[NH2+]CC1)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353244 1224840437 /nfs/dbraw/zinc/84/04/37/1224840437.db2.gz HQNWBCMWVBRZNM-ZWKOTPCHSA-N 1 3 374.485 0.467 20 0 FCADHO N[C@]1(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)CC[NH2+]C1 ZINC001220356704 1224841288 /nfs/dbraw/zinc/84/12/88/1224841288.db2.gz CXJZLPXAFHTGTB-JTDSTZFVSA-N 1 3 360.458 0.253 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001144934344 1204660617 /nfs/dbraw/zinc/66/06/17/1204660617.db2.gz XZLYEARQZDYCFN-FUHWJXTLSA-N 1 3 371.485 0.982 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2cc(O[C@H]3CCN(CCO)C3)ccn2)CC[N@@H+]1C ZINC001091401442 1204668731 /nfs/dbraw/zinc/66/87/31/1204668731.db2.gz YZSDFGKVUNVUMT-FHLIZLRMSA-N 1 3 362.474 0.483 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2cc(O[C@H]3CCN(CCO)C3)ccn2)CC[N@H+]1C ZINC001091401442 1204668736 /nfs/dbraw/zinc/66/87/36/1204668736.db2.gz YZSDFGKVUNVUMT-FHLIZLRMSA-N 1 3 362.474 0.483 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091740687 1204837717 /nfs/dbraw/zinc/83/77/17/1204837717.db2.gz CKRJRJWAAXWJRP-UZLBHIALSA-N 1 3 362.518 0.873 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091740687 1204837718 /nfs/dbraw/zinc/83/77/18/1204837718.db2.gz CKRJRJWAAXWJRP-UZLBHIALSA-N 1 3 362.518 0.873 20 0 FCADHO CCN1CCN(c2ccc(C(=O)n3c(C)ncc(C[NH3+])c3=N)cc2)CC1 ZINC001149010277 1204845725 /nfs/dbraw/zinc/84/57/25/1204845725.db2.gz GJNZCBJCWRVFOC-UHFFFAOYSA-N 1 3 354.458 0.960 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087000702 1204889513 /nfs/dbraw/zinc/88/95/13/1204889513.db2.gz KZLWUANLZOPKCK-KSZLIROESA-N 1 3 363.506 0.559 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1CNCc1ccn(C)n1 ZINC001087055534 1204935611 /nfs/dbraw/zinc/93/56/11/1204935611.db2.gz RSVACABKVYLQSD-JOCBIADPSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1CNCc1ccn(C)n1 ZINC001087055534 1204935620 /nfs/dbraw/zinc/93/56/20/1204935620.db2.gz RSVACABKVYLQSD-JOCBIADPSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001087060994 1204948434 /nfs/dbraw/zinc/94/84/34/1204948434.db2.gz JETVROLAVNDXND-NUJGCVRESA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083907 1204972384 /nfs/dbraw/zinc/97/23/84/1204972384.db2.gz XJYLGVGNPYVGET-LZLYRXPVSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCN(CC)C1=O ZINC001087088178 1204976911 /nfs/dbraw/zinc/97/69/11/1204976911.db2.gz MKKWOCUFOALPDN-FVQBIDKESA-N 1 3 363.462 0.026 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776757 1205024608 /nfs/dbraw/zinc/02/46/08/1205024608.db2.gz ONQZALYVEXPZHF-GJYPPUQNSA-N 1 3 362.518 0.907 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145230 1205170566 /nfs/dbraw/zinc/17/05/66/1205170566.db2.gz ISMHCAXRDLRUKK-OGWOLHLISA-N 1 3 366.506 0.141 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCNC1 ZINC001220522642 1224905171 /nfs/dbraw/zinc/90/51/71/1224905171.db2.gz BYVPPUKNDHUZQR-RDJZCZTQSA-N 1 3 361.442 0.234 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911456 1205940738 /nfs/dbraw/zinc/94/07/38/1205940738.db2.gz RUBCURJWNAJLGM-JFIYKMOQSA-N 1 3 363.506 0.713 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911456 1205940744 /nfs/dbraw/zinc/94/07/44/1205940744.db2.gz RUBCURJWNAJLGM-JFIYKMOQSA-N 1 3 363.506 0.713 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094072719 1206179688 /nfs/dbraw/zinc/17/96/88/1206179688.db2.gz SFNULIPEKAHSKU-CZUORRHYSA-N 1 3 355.442 0.935 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169138 1206258473 /nfs/dbraw/zinc/25/84/73/1206258473.db2.gz DLSTWLXFEKGDEO-ZWKOTPCHSA-N 1 3 372.513 0.964 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169138 1206258476 /nfs/dbraw/zinc/25/84/76/1206258476.db2.gz DLSTWLXFEKGDEO-ZWKOTPCHSA-N 1 3 372.513 0.964 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693001 1206442422 /nfs/dbraw/zinc/44/24/22/1206442422.db2.gz QOXDSULJDRVWQF-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182693001 1206442423 /nfs/dbraw/zinc/44/24/23/1206442423.db2.gz QOXDSULJDRVWQF-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000774886841 1206481455 /nfs/dbraw/zinc/48/14/55/1206481455.db2.gz BEKDRLNEHGRTNV-HZPDHXFCSA-N 1 3 366.506 0.347 20 0 FCADHO CC(C)C[C@H](N)C(=O)NCC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651211 1224990823 /nfs/dbraw/zinc/99/08/23/1224990823.db2.gz GXSLHJDJEQBROP-INIZCTEOSA-N 1 3 361.490 0.202 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126643 1207509470 /nfs/dbraw/zinc/50/94/70/1207509470.db2.gz JCGDWNWVBBWVJV-BPQIPLTHSA-N 1 3 366.506 0.014 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126643 1207509471 /nfs/dbraw/zinc/50/94/71/1207509471.db2.gz JCGDWNWVBBWVJV-BPQIPLTHSA-N 1 3 366.506 0.014 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001189913440 1207620124 /nfs/dbraw/zinc/62/01/24/1207620124.db2.gz QXERJLHLHJOWDF-ZWKOTPCHSA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001189913440 1207620126 /nfs/dbraw/zinc/62/01/26/1207620126.db2.gz QXERJLHLHJOWDF-ZWKOTPCHSA-N 1 3 368.522 0.404 20 0 FCADHO N[C@H](C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690148 1225017416 /nfs/dbraw/zinc/01/74/16/1225017416.db2.gz RXBJRDIENJLNCT-LPHOPBHVSA-N 1 3 358.486 0.868 20 0 FCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196298897 1208073151 /nfs/dbraw/zinc/07/31/51/1208073151.db2.gz FDYJVSYNXFBDGB-FCGDIQPGSA-N 1 3 361.486 0.530 20 0 FCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196298897 1208073153 /nfs/dbraw/zinc/07/31/53/1208073153.db2.gz FDYJVSYNXFBDGB-FCGDIQPGSA-N 1 3 361.486 0.530 20 0 FCADHO CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CC1 ZINC001197320360 1208153432 /nfs/dbraw/zinc/15/34/32/1208153432.db2.gz YDQLIGCLHCOSJP-KURKYZTESA-N 1 3 369.506 0.074 20 0 FCADHO Cc1ccccc1CCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826061 1208202069 /nfs/dbraw/zinc/20/20/69/1208202069.db2.gz OOLISNKVIAFLPF-RTBURBONSA-N 1 3 363.502 0.667 20 0 FCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574428 1208479285 /nfs/dbraw/zinc/47/92/85/1208479285.db2.gz MZGZUURWSDSGOF-AHCXZYCDSA-N 1 3 363.506 0.941 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790574 1225076330 /nfs/dbraw/zinc/07/63/30/1225076330.db2.gz SHADHBCAMZCMLU-PQEBFOHHSA-N 1 3 361.490 0.727 20 0 FCADHO CN1CCC[C@H](N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)C1=O ZINC001489202619 1208664306 /nfs/dbraw/zinc/66/43/06/1208664306.db2.gz LTTMRVBBEABSGI-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO N[C@@H](C(=O)NCC1CCN(C(=O)c2cccnc2)CC1)C1CC[NH2+]CC1 ZINC001220928016 1225145764 /nfs/dbraw/zinc/14/57/64/1225145764.db2.gz DBQFLKLYRJFGGY-QGZVFWFLSA-N 1 3 359.474 0.377 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2ncccn2)CC1 ZINC001220934288 1225147484 /nfs/dbraw/zinc/14/74/84/1225147484.db2.gz MMBFPKAMVSYAQN-KBPBESRZSA-N 1 3 360.462 0.029 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741324 1209878530 /nfs/dbraw/zinc/87/85/30/1209878530.db2.gz ZXZFLSYMONUZRT-RHSMWYFYSA-N 1 3 364.490 1.000 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000861745480 1209879183 /nfs/dbraw/zinc/87/91/83/1209879183.db2.gz MKDOGDDMYTXPSG-WBVHZDCISA-N 1 3 362.474 0.199 20 0 FCADHO COc1cccc(NC(=O)CCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714730 1210004399 /nfs/dbraw/zinc/00/43/99/1210004399.db2.gz WCZKROCBYAGUTR-OIISXLGYSA-N 1 3 374.441 0.891 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004011 1225181971 /nfs/dbraw/zinc/18/19/71/1225181971.db2.gz ISZVDKYVBYIWOW-QAETUUGQSA-N 1 3 368.522 0.768 20 0 FCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221010181 1225185437 /nfs/dbraw/zinc/18/54/37/1225185437.db2.gz AXTRPZMCCCCBCQ-MSOLQXFVSA-N 1 3 372.513 0.734 20 0 FCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221010181 1225185443 /nfs/dbraw/zinc/18/54/43/1225185443.db2.gz AXTRPZMCCCCBCQ-MSOLQXFVSA-N 1 3 372.513 0.734 20 0 FCADHO O=C(NCc1cn(Cc2ccncc2)cn1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221025812 1225190593 /nfs/dbraw/zinc/19/05/93/1225190593.db2.gz ISBXOPYBOGHORS-KRWDZBQOSA-N 1 3 354.458 0.817 20 0 FCADHO O=C(NCc1cn(Cc2ccncc2)cn1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221025812 1225190599 /nfs/dbraw/zinc/19/05/99/1225190599.db2.gz ISBXOPYBOGHORS-KRWDZBQOSA-N 1 3 354.458 0.817 20 0 FCADHO COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221058396 1225202837 /nfs/dbraw/zinc/20/28/37/1225202837.db2.gz HQZZHGFAQOEGGE-MSOLQXFVSA-N 1 3 367.449 0.849 20 0 FCADHO CCC(CC)[C@@H](NC(=O)CN(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070519 1225208638 /nfs/dbraw/zinc/20/86/38/1225208638.db2.gz VMGKXOGAKLVMBF-QBBQCFRVSA-N 1 3 371.522 0.747 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221081639 1225213518 /nfs/dbraw/zinc/21/35/18/1225213518.db2.gz QZFZFXWPFBYRSX-QYZOEREBSA-N 1 3 367.534 0.965 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332197 1210662447 /nfs/dbraw/zinc/66/24/47/1210662447.db2.gz PPPXUNYPICOUKK-QZTJIDSGSA-N 1 3 366.506 0.792 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2CCNCCC23CCC3)CCN1c1cc[nH+]cc1 ZINC000883660508 1210682766 /nfs/dbraw/zinc/68/27/66/1210682766.db2.gz MGJMABRFEODJBZ-INIZCTEOSA-N 1 3 371.485 0.863 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883727928 1210685824 /nfs/dbraw/zinc/68/58/24/1210685824.db2.gz FWCIFCQQTBHROI-MRXNPFEDSA-N 1 3 365.522 0.986 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883727928 1210685827 /nfs/dbraw/zinc/68/58/27/1210685827.db2.gz FWCIFCQQTBHROI-MRXNPFEDSA-N 1 3 365.522 0.986 20 0 FCADHO CN1CCN(CCCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234283 1210725131 /nfs/dbraw/zinc/72/51/31/1210725131.db2.gz OJKPPBXFVGFOQQ-UHFFFAOYSA-N 1 3 360.506 0.249 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000884566398 1210752607 /nfs/dbraw/zinc/75/26/07/1210752607.db2.gz IZFDSAHJQAEUMS-MSOLQXFVSA-N 1 3 370.497 0.555 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1=CC[N@H+](C)CC1 ZINC000884623359 1210765003 /nfs/dbraw/zinc/76/50/03/1210765003.db2.gz ANUUQTSZSOTSDH-RDTXWAMCSA-N 1 3 356.470 0.584 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1=CC[N@@H+](C)CC1 ZINC000884623359 1210765005 /nfs/dbraw/zinc/76/50/05/1210765005.db2.gz ANUUQTSZSOTSDH-RDTXWAMCSA-N 1 3 356.470 0.584 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000884691059 1210781469 /nfs/dbraw/zinc/78/14/69/1210781469.db2.gz VIQVPOBAFUHJSB-QAPCUYQASA-N 1 3 367.453 0.935 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000884691057 1210781560 /nfs/dbraw/zinc/78/15/60/1210781560.db2.gz VIQVPOBAFUHJSB-CRAIPNDOSA-N 1 3 367.453 0.935 20 0 FCADHO O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001221151541 1225241501 /nfs/dbraw/zinc/24/15/01/1225241501.db2.gz IDRKGLXRDJEMKC-OAHLLOKOSA-N 1 3 357.458 0.414 20 0 FCADHO N[C@@H](C(=O)NCc1ccnc(N2CCCCCC2=O)c1)C1CC[NH2+]CC1 ZINC001221153776 1225241873 /nfs/dbraw/zinc/24/18/73/1225241873.db2.gz PWCQDQRGPQBEQQ-GOSISDBHSA-N 1 3 359.474 0.932 20 0 FCADHO O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221153951 1225241991 /nfs/dbraw/zinc/24/19/91/1225241991.db2.gz VWLUDIQPPHPBSO-OAHLLOKOSA-N 1 3 372.473 0.492 20 0 FCADHO O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221153951 1225241997 /nfs/dbraw/zinc/24/19/97/1225241997.db2.gz VWLUDIQPPHPBSO-OAHLLOKOSA-N 1 3 372.473 0.492 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000885136149 1210811473 /nfs/dbraw/zinc/81/14/73/1210811473.db2.gz MWPWYZROOLLBBY-HNNXBMFYSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885154427 1210813394 /nfs/dbraw/zinc/81/33/94/1210813394.db2.gz WLMUQMCAPPJEQR-JLSDUUJJSA-N 1 3 358.486 0.616 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885154427 1210813396 /nfs/dbraw/zinc/81/33/96/1210813396.db2.gz WLMUQMCAPPJEQR-JLSDUUJJSA-N 1 3 358.486 0.616 20 0 FCADHO CCN(C(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887070838 1210845584 /nfs/dbraw/zinc/84/55/84/1210845584.db2.gz UNKZUSRAWBFGQR-MRXNPFEDSA-N 1 3 366.506 0.300 20 0 FCADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000887070348 1210845591 /nfs/dbraw/zinc/84/55/91/1210845591.db2.gz KPMWSSBDSTZERO-GBESFXJTSA-N 1 3 370.497 0.930 20 0 FCADHO CCN1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)CC1 ZINC001274371530 1211039689 /nfs/dbraw/zinc/03/96/89/1211039689.db2.gz ZOENLLOZMRSCMY-HXUWFJFHSA-N 1 3 365.566 0.500 20 0 FCADHO CCN1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)CC1 ZINC001274371530 1211039690 /nfs/dbraw/zinc/03/96/90/1211039690.db2.gz ZOENLLOZMRSCMY-HXUWFJFHSA-N 1 3 365.566 0.500 20 0 FCADHO CCN1CCN(CC(=O)N2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001274371530 1211039692 /nfs/dbraw/zinc/03/96/92/1211039692.db2.gz ZOENLLOZMRSCMY-HXUWFJFHSA-N 1 3 365.566 0.500 20 0 FCADHO CCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275104668 1211175844 /nfs/dbraw/zinc/17/58/44/1211175844.db2.gz XWPMAZJSDCAPBM-HXUWFJFHSA-N 1 3 366.550 0.975 20 0 FCADHO CCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275104668 1211175845 /nfs/dbraw/zinc/17/58/45/1211175845.db2.gz XWPMAZJSDCAPBM-HXUWFJFHSA-N 1 3 366.550 0.975 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143367 1211179080 /nfs/dbraw/zinc/17/90/80/1211179080.db2.gz UGTVJWMYPGBHHC-AZUAARDMSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143367 1211179084 /nfs/dbraw/zinc/17/90/84/1211179084.db2.gz UGTVJWMYPGBHHC-AZUAARDMSA-N 1 3 364.534 0.727 20 0 FCADHO Cc1ncc(CO)c(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1[O-] ZINC001275335864 1211217240 /nfs/dbraw/zinc/21/72/40/1211217240.db2.gz XBHFCAHUXMBWEE-LJQANCHMSA-N 1 3 362.474 0.574 20 0 FCADHO Cc1ncc(CO)c(C[N@@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1[O-] ZINC001275335864 1211217241 /nfs/dbraw/zinc/21/72/41/1211217241.db2.gz XBHFCAHUXMBWEE-LJQANCHMSA-N 1 3 362.474 0.574 20 0 FCADHO COC(C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1)OC ZINC001275493380 1211250615 /nfs/dbraw/zinc/25/06/15/1211250615.db2.gz JVORWTLEZBPPOB-IBGZPJMESA-N 1 3 368.522 0.167 20 0 FCADHO COC(C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1)OC ZINC001275493380 1211250618 /nfs/dbraw/zinc/25/06/18/1211250618.db2.gz JVORWTLEZBPPOB-IBGZPJMESA-N 1 3 368.522 0.167 20 0 FCADHO COCCOCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCCN(C)C3)C2)C1=O ZINC001275877547 1211302761 /nfs/dbraw/zinc/30/27/61/1211302761.db2.gz DAJKVWFRDKKVFA-APWZRJJASA-N 1 3 367.490 0.790 20 0 FCADHO COCCOCN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCCN(C)C3)C2)C1=O ZINC001275877547 1211302763 /nfs/dbraw/zinc/30/27/63/1211302763.db2.gz DAJKVWFRDKKVFA-APWZRJJASA-N 1 3 367.490 0.790 20 0 FCADHO COC(CN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881224 1211304999 /nfs/dbraw/zinc/30/49/99/1211304999.db2.gz XZUDRQXUFSCSLZ-KXBFYZLASA-N 1 3 367.490 0.788 20 0 FCADHO COC(CN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881224 1211305001 /nfs/dbraw/zinc/30/50/01/1211305001.db2.gz XZUDRQXUFSCSLZ-KXBFYZLASA-N 1 3 367.490 0.788 20 0 FCADHO CC[C@@H](CCC(=O)OC)C[N@@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269711 1211400228 /nfs/dbraw/zinc/40/02/28/1211400228.db2.gz OFUCCMPXVGDGOL-LPHOPBHVSA-N 1 3 369.506 0.831 20 0 FCADHO CC[C@@H](CCC(=O)OC)C[N@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269711 1211400231 /nfs/dbraw/zinc/40/02/31/1211400231.db2.gz OFUCCMPXVGDGOL-LPHOPBHVSA-N 1 3 369.506 0.831 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926296463 1211527952 /nfs/dbraw/zinc/52/79/52/1211527952.db2.gz DZOBCQCHKKSVLE-GOSISDBHSA-N 1 3 360.502 0.817 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927632162 1211576286 /nfs/dbraw/zinc/57/62/86/1211576286.db2.gz XEBJXVKKBZJCSU-ZBFHGGJFSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927632162 1211576287 /nfs/dbraw/zinc/57/62/87/1211576287.db2.gz XEBJXVKKBZJCSU-ZBFHGGJFSA-N 1 3 367.494 0.001 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000927641370 1211579062 /nfs/dbraw/zinc/57/90/62/1211579062.db2.gz WWGAHXNWEQGXDT-QGZVFWFLSA-N 1 3 368.522 0.774 20 0 FCADHO COc1ccccc1[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nnc(C)o1 ZINC001221336641 1225300593 /nfs/dbraw/zinc/30/05/93/1225300593.db2.gz MLRATVIJUOIRST-ACWOFJMJSA-N 1 3 371.441 0.791 20 0 FCADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001221369041 1225302515 /nfs/dbraw/zinc/30/25/15/1225302515.db2.gz HDLSTTWSBBFKRE-AWEZNQCLSA-N 1 3 364.494 0.728 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391809 1225305247 /nfs/dbraw/zinc/30/52/47/1225305247.db2.gz PEKKHHHGWQCSKF-BBRMVZONSA-N 1 3 363.506 0.433 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC000949318924 1212353814 /nfs/dbraw/zinc/35/38/14/1212353814.db2.gz CUSNMPKQKJYOSO-ISTRZQFTSA-N 1 3 359.474 0.566 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000949943676 1212489764 /nfs/dbraw/zinc/48/97/64/1212489764.db2.gz PHHUUNCJLMPRLA-DJIMGWMZSA-N 1 3 362.518 0.776 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001111307629 1212530234 /nfs/dbraw/zinc/53/02/34/1212530234.db2.gz OCLYFJNUBGGBNL-XDNAFOTISA-N 1 3 371.522 0.464 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001111307629 1212530236 /nfs/dbraw/zinc/53/02/36/1212530236.db2.gz OCLYFJNUBGGBNL-XDNAFOTISA-N 1 3 371.522 0.464 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)CC1 ZINC001007703219 1212559091 /nfs/dbraw/zinc/55/90/91/1212559091.db2.gz TZHFEYMMCLRPCQ-KXBFYZLASA-N 1 3 359.474 0.791 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001007849408 1212591296 /nfs/dbraw/zinc/59/12/96/1212591296.db2.gz WTUADYMFPCXVCA-VCBZYWHSSA-N 1 3 359.474 0.791 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001007849408 1212591300 /nfs/dbraw/zinc/59/13/00/1212591300.db2.gz WTUADYMFPCXVCA-VCBZYWHSSA-N 1 3 359.474 0.791 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1 ZINC000959837544 1213531544 /nfs/dbraw/zinc/53/15/44/1213531544.db2.gz TZJGTRVUIJHADQ-HLLBOEOZSA-N 1 3 361.490 0.893 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1 ZINC000959837544 1213531550 /nfs/dbraw/zinc/53/15/50/1213531550.db2.gz TZJGTRVUIJHADQ-HLLBOEOZSA-N 1 3 361.490 0.893 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N(C)Cc1ccccc1 ZINC000418936013 1213927177 /nfs/dbraw/zinc/92/71/77/1213927177.db2.gz BCYPJUGHVODLGB-UZLBHIALSA-N 1 3 358.486 0.978 20 0 FCADHO CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21)N(C)C ZINC000960968105 1214042610 /nfs/dbraw/zinc/04/26/10/1214042610.db2.gz BECDQRNFKJRLLA-MWDXBVQZSA-N 1 3 368.522 0.351 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001017489071 1214103286 /nfs/dbraw/zinc/10/32/86/1214103286.db2.gz ORSRYWBTTJMEBK-LZLYRXPVSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC001017489071 1214103289 /nfs/dbraw/zinc/10/32/89/1214103289.db2.gz ORSRYWBTTJMEBK-LZLYRXPVSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@@H](O)CCCN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862642 1225510899 /nfs/dbraw/zinc/51/08/99/1225510899.db2.gz HULDDWKJIWVVFA-JFIYKMOQSA-N 1 3 363.506 0.752 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)C1 ZINC000961665526 1214261684 /nfs/dbraw/zinc/26/16/84/1214261684.db2.gz WRTQGSWHMSUMQD-HSFUPAIVSA-N 1 3 362.518 0.585 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)C1 ZINC000961665526 1214261688 /nfs/dbraw/zinc/26/16/88/1214261688.db2.gz WRTQGSWHMSUMQD-HSFUPAIVSA-N 1 3 362.518 0.585 20 0 FCADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21 ZINC001221950675 1225550384 /nfs/dbraw/zinc/55/03/84/1225550384.db2.gz SKOGOWCILYZPGQ-IAGOWNOFSA-N 1 3 366.506 0.110 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221968525 1225556598 /nfs/dbraw/zinc/55/65/98/1225556598.db2.gz RAMQADYHRQTHCQ-KZNAEPCWSA-N 1 3 363.506 0.509 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221968525 1225556603 /nfs/dbraw/zinc/55/66/03/1225556603.db2.gz RAMQADYHRQTHCQ-KZNAEPCWSA-N 1 3 363.506 0.509 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cc2c[nH]cn2)CC3)CC[N@@H+]1C ZINC000963925848 1214875950 /nfs/dbraw/zinc/87/59/50/1214875950.db2.gz WEQGEIADOGDHSW-BMFZPTHFSA-N 1 3 359.474 0.790 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cc2c[nH]cn2)CC3)CC[N@H+]1C ZINC000963925848 1214875954 /nfs/dbraw/zinc/87/59/54/1214875954.db2.gz WEQGEIADOGDHSW-BMFZPTHFSA-N 1 3 359.474 0.790 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000964214109 1214916143 /nfs/dbraw/zinc/91/61/43/1214916143.db2.gz SVTCGHGPQPPMKP-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000964214109 1214916145 /nfs/dbraw/zinc/91/61/45/1214916145.db2.gz SVTCGHGPQPPMKP-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@H]4CCCNC4=O)CC3)CC2)CC[N@@H+]1C ZINC001000162105 1216013905 /nfs/dbraw/zinc/01/39/05/1216013905.db2.gz UHQPMDJQWMEKBS-OIISXLGYSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@H]4CCCNC4=O)CC3)CC2)CC[N@H+]1C ZINC001000162105 1216013909 /nfs/dbraw/zinc/01/39/09/1216013909.db2.gz UHQPMDJQWMEKBS-OIISXLGYSA-N 1 3 362.518 0.966 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057587203 1216362562 /nfs/dbraw/zinc/36/25/62/1216362562.db2.gz AEAHUNSEBIJPQU-BRWVUGGUSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057587203 1216362568 /nfs/dbraw/zinc/36/25/68/1216362568.db2.gz AEAHUNSEBIJPQU-BRWVUGGUSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC001057745793 1216536210 /nfs/dbraw/zinc/53/62/10/1216536210.db2.gz AUKNFHLWNNCZAP-YESZJQIVSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC001057745793 1216536213 /nfs/dbraw/zinc/53/62/13/1216536213.db2.gz AUKNFHLWNNCZAP-YESZJQIVSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827706339 1216643099 /nfs/dbraw/zinc/64/30/99/1216643099.db2.gz LMIUJXFLOJLZKT-YESZJQIVSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827706339 1216643101 /nfs/dbraw/zinc/64/31/01/1216643101.db2.gz LMIUJXFLOJLZKT-YESZJQIVSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001068401810 1216731312 /nfs/dbraw/zinc/73/13/12/1216731312.db2.gz SRJINIISNAITLD-HZPDHXFCSA-N 1 3 366.506 0.107 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401810 1216731317 /nfs/dbraw/zinc/73/13/17/1216731317.db2.gz SRJINIISNAITLD-HZPDHXFCSA-N 1 3 366.506 0.107 20 0 FCADHO CCOCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276873973 1225691396 /nfs/dbraw/zinc/69/13/96/1225691396.db2.gz AGCOGUXVJFSKPY-GOSISDBHSA-N 1 3 366.550 0.879 20 0 FCADHO O=C(N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1)c1ccn2c[nH+]cc2c1 ZINC001069970388 1216876092 /nfs/dbraw/zinc/87/60/92/1216876092.db2.gz CFSNGKSBGVHCHW-CVEARBPZSA-N 1 3 357.393 0.941 20 0 FCADHO CO[C@H](C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024209 1216902685 /nfs/dbraw/zinc/90/26/85/1216902685.db2.gz GEZXZHLJULHRPZ-OAGGEKHMSA-N 1 3 364.494 0.386 20 0 FCADHO CO[C@H](C)CN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024209 1216902688 /nfs/dbraw/zinc/90/26/88/1216902688.db2.gz GEZXZHLJULHRPZ-OAGGEKHMSA-N 1 3 364.494 0.386 20 0 FCADHO C[C@H](CO)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276973547 1225780844 /nfs/dbraw/zinc/78/08/44/1225780844.db2.gz DVYGFXQDIVIBLY-AZUAARDMSA-N 1 3 366.550 0.709 20 0 FCADHO C[C@H](CO)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276973547 1225780846 /nfs/dbraw/zinc/78/08/46/1225780846.db2.gz DVYGFXQDIVIBLY-AZUAARDMSA-N 1 3 366.550 0.709 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cnc(C(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000900695921 1218025849 /nfs/dbraw/zinc/02/58/49/1218025849.db2.gz SXWNVUQBZAOTIA-ZIAGYGMSSA-N 1 3 360.462 0.125 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cnc(C(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000900695921 1218025851 /nfs/dbraw/zinc/02/58/51/1218025851.db2.gz SXWNVUQBZAOTIA-ZIAGYGMSSA-N 1 3 360.462 0.125 20 0 FCADHO C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800079 1218039229 /nfs/dbraw/zinc/03/92/29/1218039229.db2.gz BBRPYOCJVNGTAH-RDJZCZTQSA-N 1 3 360.506 0.198 20 0 FCADHO C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800079 1218039234 /nfs/dbraw/zinc/03/92/34/1218039234.db2.gz BBRPYOCJVNGTAH-RDJZCZTQSA-N 1 3 360.506 0.198 20 0 FCADHO O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC1CC1 ZINC001226297674 1225839563 /nfs/dbraw/zinc/83/95/63/1225839563.db2.gz XPSPCRHACKPETG-KZNAEPCWSA-N 1 3 362.518 0.871 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001226801394 1225854760 /nfs/dbraw/zinc/85/47/60/1225854760.db2.gz WIACTUYRLAHIBF-RKVPGOIHSA-N 1 3 364.490 0.493 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)C1CCC1 ZINC001226830551 1225855205 /nfs/dbraw/zinc/85/52/05/1225855205.db2.gz IVXPEIAYWOJSDX-HUUCEWRRSA-N 1 3 365.478 0.040 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357551 1219033136 /nfs/dbraw/zinc/03/31/36/1219033136.db2.gz SJBYBVLHFODDHE-WCXIOVBPSA-N 1 3 364.534 0.974 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357551 1219033139 /nfs/dbraw/zinc/03/31/39/1219033139.db2.gz SJBYBVLHFODDHE-WCXIOVBPSA-N 1 3 364.534 0.974 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000804060025 1219114088 /nfs/dbraw/zinc/11/40/88/1219114088.db2.gz OWPRIEYPKVTPKS-CVEARBPZSA-N 1 3 366.506 0.204 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061667 1219116029 /nfs/dbraw/zinc/11/60/29/1219116029.db2.gz WBENAPOVEMYVES-XHSDSOJGSA-N 1 3 366.506 0.202 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061667 1219116036 /nfs/dbraw/zinc/11/60/36/1219116036.db2.gz WBENAPOVEMYVES-XHSDSOJGSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070195011 1219287288 /nfs/dbraw/zinc/28/72/88/1219287288.db2.gz ZTOLQYKVFCBRKB-OAGGEKHMSA-N 1 3 364.494 0.265 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070475279 1219426322 /nfs/dbraw/zinc/42/63/22/1219426322.db2.gz LQLZPWNNJGCJKB-UHOSZYNNSA-N 1 3 368.485 0.994 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)C1 ZINC001070525919 1219453483 /nfs/dbraw/zinc/45/34/83/1219453483.db2.gz HHAAJNHDXDJORR-UAGQMJEPSA-N 1 3 367.469 0.383 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nc([C@H]3COCCN3C(C)C)n[nH]2)CC[N@@H+]1C ZINC001070587084 1219479984 /nfs/dbraw/zinc/47/99/84/1219479984.db2.gz ZFWMVBNZCZVMLY-RRFJBIMHSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nc([C@H]3COCCN3C(C)C)n[nH]2)CC[N@H+]1C ZINC001070587084 1219479987 /nfs/dbraw/zinc/47/99/87/1219479987.db2.gz ZFWMVBNZCZVMLY-RRFJBIMHSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3COCCN3C(C)C)n2)CC[N@@H+]1C ZINC001070587084 1219479993 /nfs/dbraw/zinc/47/99/93/1219479993.db2.gz ZFWMVBNZCZVMLY-RRFJBIMHSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3COCCN3C(C)C)n2)CC[N@H+]1C ZINC001070587084 1219479995 /nfs/dbraw/zinc/47/99/95/1219479995.db2.gz ZFWMVBNZCZVMLY-RRFJBIMHSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@H]3COCCN3C(C)C)[nH]2)CC[N@@H+]1C ZINC001070587084 1219480001 /nfs/dbraw/zinc/48/00/01/1219480001.db2.gz ZFWMVBNZCZVMLY-RRFJBIMHSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@H]3COCCN3C(C)C)[nH]2)CC[N@H+]1C ZINC001070587084 1219480007 /nfs/dbraw/zinc/48/00/07/1219480007.db2.gz ZFWMVBNZCZVMLY-RRFJBIMHSA-N 1 3 364.494 0.933 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688678 1219526444 /nfs/dbraw/zinc/52/64/44/1219526444.db2.gz RRSFFXVHBHYNMS-BZUAXINKSA-N 1 3 363.506 0.417 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001228254559 1225904225 /nfs/dbraw/zinc/90/42/25/1225904225.db2.gz AONZTEPXOIVXKI-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001098225193 1219744301 /nfs/dbraw/zinc/74/43/01/1219744301.db2.gz YLDVZQNYMISGNT-TWMKSMIVSA-N 1 3 359.474 0.061 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)CC1 ZINC001099009507 1219887422 /nfs/dbraw/zinc/88/74/22/1219887422.db2.gz BPXXNPAMXPZCJF-LPHOPBHVSA-N 1 3 363.506 0.324 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2C(=O)CCC2=O)C3)C1 ZINC001099159531 1219934962 /nfs/dbraw/zinc/93/49/62/1219934962.db2.gz HNLYCMUUFSNOPT-DOXZYTNZSA-N 1 3 362.474 0.058 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2C(=O)CCC2=O)C3)C1 ZINC001099159531 1219934965 /nfs/dbraw/zinc/93/49/65/1219934965.db2.gz HNLYCMUUFSNOPT-DOXZYTNZSA-N 1 3 362.474 0.058 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001099496154 1220014324 /nfs/dbraw/zinc/01/43/24/1220014324.db2.gz DFCRIIRQIFQOHA-YRNRMSPPSA-N 1 3 362.518 0.825 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3ncnn3C)C2)C1 ZINC001099500557 1220017091 /nfs/dbraw/zinc/01/70/91/1220017091.db2.gz VVCGTGILSXFHSG-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3ncnn3C)C2)C1 ZINC001099500557 1220017095 /nfs/dbraw/zinc/01/70/95/1220017095.db2.gz VVCGTGILSXFHSG-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO CCCC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432290 1220341910 /nfs/dbraw/zinc/34/19/10/1220341910.db2.gz KQDJTNNJBAZYCE-MDZRGWNJSA-N 1 3 368.522 0.389 20 0 FCADHO COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478653 1220368486 /nfs/dbraw/zinc/36/84/86/1220368486.db2.gz YTGIDVMLRYKUKI-LMMKCTJWSA-N 1 3 371.522 0.131 20 0 FCADHO COCCOC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478653 1220368488 /nfs/dbraw/zinc/36/84/88/1220368488.db2.gz YTGIDVMLRYKUKI-LMMKCTJWSA-N 1 3 371.522 0.131 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047529 1220476797 /nfs/dbraw/zinc/47/67/97/1220476797.db2.gz KJYFSHPPEBTBSL-LSBZLQRGSA-N 1 3 364.534 0.879 20 0 FCADHO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051804 1220479518 /nfs/dbraw/zinc/47/95/18/1220479518.db2.gz NTGCQXFBOYZFFI-JFIYKMOQSA-N 1 3 363.506 0.412 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051804 1220479521 /nfs/dbraw/zinc/47/95/21/1220479521.db2.gz NTGCQXFBOYZFFI-JFIYKMOQSA-N 1 3 363.506 0.412 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108662 1220499425 /nfs/dbraw/zinc/49/94/25/1220499425.db2.gz WQPINNXFWPELEK-BFYDXBDKSA-N 1 3 359.474 0.481 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102368525 1220596804 /nfs/dbraw/zinc/59/68/04/1220596804.db2.gz YCQIFWMEXKQHJG-BZUAXINKSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102368525 1220596809 /nfs/dbraw/zinc/59/68/09/1220596809.db2.gz YCQIFWMEXKQHJG-BZUAXINKSA-N 1 3 364.490 0.304 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369704 1220597055 /nfs/dbraw/zinc/59/70/55/1220597055.db2.gz DGONYDJIXWVDQB-GVDBMIGSSA-N 1 3 367.538 0.720 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369704 1220597060 /nfs/dbraw/zinc/59/70/60/1220597060.db2.gz DGONYDJIXWVDQB-GVDBMIGSSA-N 1 3 367.538 0.720 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473577 1220643494 /nfs/dbraw/zinc/64/34/94/1220643494.db2.gz GTHNNVOUEQZNLH-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473577 1220643498 /nfs/dbraw/zinc/64/34/98/1220643498.db2.gz GTHNNVOUEQZNLH-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO CCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514101 1220674010 /nfs/dbraw/zinc/67/40/10/1220674010.db2.gz MTYHTMXUFYHEOH-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001103085352 1220831025 /nfs/dbraw/zinc/83/10/25/1220831025.db2.gz RILNDQBUVFUYKC-INMHGKMJSA-N 1 3 366.506 0.189 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001103085352 1220831026 /nfs/dbraw/zinc/83/10/26/1220831026.db2.gz RILNDQBUVFUYKC-INMHGKMJSA-N 1 3 366.506 0.189 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001103426899 1220880563 /nfs/dbraw/zinc/88/05/63/1220880563.db2.gz SDCPTLGPFJYLCX-RBSFLKMASA-N 1 3 369.510 0.376 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103643852 1220925720 /nfs/dbraw/zinc/92/57/20/1220925720.db2.gz SXRDRBCYFQDONP-BPQIPLTHSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103643852 1220925727 /nfs/dbraw/zinc/92/57/27/1220925727.db2.gz SXRDRBCYFQDONP-BPQIPLTHSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642161 1220926444 /nfs/dbraw/zinc/92/64/44/1220926444.db2.gz SLKDNSYJFGPWMK-NVXWUHKLSA-N 1 3 368.522 0.165 20 0 FCADHO CCn1nncc1CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642129 1220926709 /nfs/dbraw/zinc/92/67/09/1220926709.db2.gz RLQIXJLWNQTQKM-HZPDHXFCSA-N 1 3 366.510 0.450 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)CC1 ZINC001111853041 1221137092 /nfs/dbraw/zinc/13/70/92/1221137092.db2.gz DSZUBFRSPJPYRZ-JXFKEZNVSA-N 1 3 362.518 0.921 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001229860692 1226036605 /nfs/dbraw/zinc/03/66/05/1226036605.db2.gz ZMDONUVKRXBMPM-HUUCEWRRSA-N 1 3 367.494 0.333 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001229860444 1226036733 /nfs/dbraw/zinc/03/67/33/1226036733.db2.gz SRHIRBXIHBELMF-GVDBMIGSSA-N 1 3 368.522 0.640 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)Nc2cnccn2)C1 ZINC001230138849 1226057303 /nfs/dbraw/zinc/05/73/03/1226057303.db2.gz TXUIVUCKVZIKKD-RBSFLKMASA-N 1 3 360.462 0.384 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)Nc2cnccn2)C1 ZINC001230138849 1226057310 /nfs/dbraw/zinc/05/73/10/1226057310.db2.gz TXUIVUCKVZIKKD-RBSFLKMASA-N 1 3 360.462 0.384 20 0 FCADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118218444 1221736009 /nfs/dbraw/zinc/73/60/09/1221736009.db2.gz GWRIQWGZQXNVPU-MRXNPFEDSA-N 1 3 362.478 0.576 20 0 FCADHO COc1ccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC001118447077 1221781257 /nfs/dbraw/zinc/78/12/57/1221781257.db2.gz QSRNJEYWEMLCKH-UHFFFAOYSA-N 1 3 365.478 0.000 20 0 FCADHO COc1cc(NC(=O)CCNC[C@]2(O)CC[N@H+](C)C2)cc(OC)c1OC ZINC001120503641 1222096271 /nfs/dbraw/zinc/09/62/71/1222096271.db2.gz VRWINWZSVAZRBR-GOSISDBHSA-N 1 3 367.446 0.697 20 0 FCADHO COc1cc(NC(=O)CCNC[C@]2(O)CC[N@@H+](C)C2)cc(OC)c1OC ZINC001120503641 1222096277 /nfs/dbraw/zinc/09/62/77/1222096277.db2.gz VRWINWZSVAZRBR-GOSISDBHSA-N 1 3 367.446 0.697 20 0 FCADHO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001120584902 1222106670 /nfs/dbraw/zinc/10/66/70/1222106670.db2.gz BWQZYLLAZSXYMR-VZHLBOQGSA-N 1 3 372.469 0.703 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069793 1222238794 /nfs/dbraw/zinc/23/87/94/1222238794.db2.gz GALDXTLWWGNOPR-IXDOHACOSA-N 1 3 363.506 0.606 20 0 FCADHO Cc1ccc(CN2C[C@@H]3C[NH+](Cc4cn(C)c(=O)n(C)c4=O)C[C@H]3C2)cc1 ZINC001231767498 1226124022 /nfs/dbraw/zinc/12/40/22/1226124022.db2.gz IQRSVLDFWNCYDW-QZTJIDSGSA-N 1 3 368.481 0.956 20 0 FCADHO COC(=O)COc1ccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001139777633 1222558262 /nfs/dbraw/zinc/55/82/62/1222558262.db2.gz SXSCXNMJPMDLSS-UHFFFAOYSA-N 1 3 363.458 0.834 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000841142937 1222809629 /nfs/dbraw/zinc/80/96/29/1222809629.db2.gz UUXWGEFXJJPSFT-UHFFFAOYSA-N 1 3 359.474 0.717 20 0 FCADHO CN(c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1)C1CC[NH+](C)CC1 ZINC000841151081 1222810083 /nfs/dbraw/zinc/81/00/83/1222810083.db2.gz SZKHDULDDNTCFZ-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842089105 1222835399 /nfs/dbraw/zinc/83/53/99/1222835399.db2.gz XPQCFFXZFVPARY-KRWDZBQOSA-N 1 3 366.506 0.252 20 0 FCADHO [NH3+]CCCC[C@H](NC(=O)[C@H]1CC[C@]2(C1)CNCCO2)C(=O)N1CCCC1 ZINC001157371227 1223075471 /nfs/dbraw/zinc/07/54/71/1223075471.db2.gz QCBBRKKSILFFEV-BXWFABGCSA-N 1 3 366.506 0.381 20 0 FCADHO Cc1ccc([C@H](C(=O)N(C)C[C@H]2CNCCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720580 1223081251 /nfs/dbraw/zinc/08/12/51/1223081251.db2.gz MCCARHSXGRMXLQ-RTBURBONSA-N 1 3 360.502 0.778 20 0 FCADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118619 1223089339 /nfs/dbraw/zinc/08/93/39/1223089339.db2.gz BYIIQHXGUVIUDN-WWMYMODYSA-N 1 3 368.481 0.808 20 0 FCADHO N[C@@H](CCCc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120957 1223089602 /nfs/dbraw/zinc/08/96/02/1223089602.db2.gz QESOVRNHLHKMLQ-JXFKEZNVSA-N 1 3 356.470 0.275 20 0 FCADHO [NH3+][C@@H]1CCN(C2CCN(c3ncccc3C(=O)N3CCNCC3)CC2)C1 ZINC001158260636 1223092429 /nfs/dbraw/zinc/09/24/29/1223092429.db2.gz GNNVLXSOXTXMRF-OAHLLOKOSA-N 1 3 358.490 0.129 20 0 FCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533455 1223101869 /nfs/dbraw/zinc/10/18/69/1223101869.db2.gz LWWAMZJOQCPOOS-FTEYMNFISA-N 1 3 359.470 0.900 20 0 FCADHO Cn1ncc2c1CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]2COc1cccnc1 ZINC001158842950 1223111066 /nfs/dbraw/zinc/11/10/66/1223111066.db2.gz PVSABTOGZQXOAX-XJKSGUPXSA-N 1 3 358.446 0.386 20 0 FCADHO N[C@@H](C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935672 1223113687 /nfs/dbraw/zinc/11/36/87/1223113687.db2.gz YYTUKYNTDXWGFN-JFIYKMOQSA-N 1 3 357.458 0.110 20 0 FCADHO Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@H]2C[NH2+]CC24CNC4)CC3)cn1 ZINC001158983653 1223114549 /nfs/dbraw/zinc/11/45/49/1223114549.db2.gz WJZMLUCQLAYRPT-GDBMZVCRSA-N 1 3 359.474 0.094 20 0 FCADHO Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@]24C[NH2+]C[C@H]2CNCC4)CC3)cn1 ZINC001158983702 1223114574 /nfs/dbraw/zinc/11/45/74/1223114574.db2.gz XWPOCKYMSXOBSF-WRWLIDTKSA-N 1 3 373.501 0.484 20 0 FCADHO N[C@H](C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192897 1223120087 /nfs/dbraw/zinc/12/00/87/1223120087.db2.gz YTVPLRDKUYGIKB-YJBOKZPZSA-N 1 3 361.490 0.595 20 0 FCADHO CO[C@@H]1CCN(C(=O)CNCCC[NH3+])[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159317170 1223124042 /nfs/dbraw/zinc/12/40/42/1223124042.db2.gz RNGRVJJXZNOCED-RCCFBDPRSA-N 1 3 361.490 0.068 20 0 FCADHO CCOC[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)Cc2cnn(C)c21 ZINC001159393914 1223125975 /nfs/dbraw/zinc/12/59/75/1223125975.db2.gz IVSGYGUTSYLHAR-HOTGVXAUSA-N 1 3 361.490 0.757 20 0 FCADHO CCOC[C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)Cc2cnn(C)c21 ZINC001159393914 1223125978 /nfs/dbraw/zinc/12/59/78/1223125978.db2.gz IVSGYGUTSYLHAR-HOTGVXAUSA-N 1 3 361.490 0.757 20 0 FCADHO N[C@@H](C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696124 1223133853 /nfs/dbraw/zinc/13/38/53/1223133853.db2.gz COCFJEOSPFJJRR-QZTJIDSGSA-N 1 3 370.497 0.836 20 0 FCADHO N[C@H](C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159699316 1223134524 /nfs/dbraw/zinc/13/45/24/1223134524.db2.gz OSGVMMCWSFLEFS-MYZZLAAOSA-N 1 3 374.485 0.793 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159697494 1223134669 /nfs/dbraw/zinc/13/46/69/1223134669.db2.gz HRCHFKLDCXFTSK-LTIDMASMSA-N 1 3 362.474 0.923 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159698325 1223134703 /nfs/dbraw/zinc/13/47/03/1223134703.db2.gz LRKGKLBWLAZXKC-IAGOWNOFSA-N 1 3 368.481 0.318 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001160007004 1223142542 /nfs/dbraw/zinc/14/25/42/1223142542.db2.gz AMAGXLRVPJRETR-HNNXBMFYSA-N 1 3 358.446 0.656 20 0 FCADHO Cc1ccc(N2C[C@]3(CCN(C(=O)[C@H]4C[NH2+]CC45CNC5)C3)CC2=O)s1 ZINC001160095236 1223145529 /nfs/dbraw/zinc/14/55/29/1223145529.db2.gz UGDKJDMYDMSTFT-RDTXWAMCSA-N 1 3 374.510 0.821 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160230141 1223150772 /nfs/dbraw/zinc/15/07/72/1223150772.db2.gz IBDRXHGDXQMEPU-IRXDYDNUSA-N 1 3 372.473 0.520 20 0 FCADHO N[C@@H](C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415364 1223158315 /nfs/dbraw/zinc/15/83/15/1223158315.db2.gz SGQRAVBHLMPBQB-APWZRJJASA-N 1 3 372.473 0.149 20 0 FCADHO O=C(N1CCN(c2nccc3occc32)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160589116 1223165693 /nfs/dbraw/zinc/16/56/93/1223165693.db2.gz MKSLMUFJBTWNCC-AUUYWEPGSA-N 1 3 355.442 0.676 20 0 FCADHO CCN(CCn1cccn1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160693148 1223168569 /nfs/dbraw/zinc/16/85/69/1223168569.db2.gz KCHHXGZZXIQGMG-HOTGVXAUSA-N 1 3 364.494 0.179 20 0 FCADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160824542 1223175705 /nfs/dbraw/zinc/17/57/05/1223175705.db2.gz OTQBOYUKOMQUTH-LBPRGKRZSA-N 1 3 362.430 0.610 20 0 FCADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160824542 1223175707 /nfs/dbraw/zinc/17/57/07/1223175707.db2.gz OTQBOYUKOMQUTH-LBPRGKRZSA-N 1 3 362.430 0.610 20 0 FCADHO N[C@@H](C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)C1CC[NH2+]CC1 ZINC001160905622 1223180589 /nfs/dbraw/zinc/18/05/89/1223180589.db2.gz RWBXVBDGIDSYIK-QGZVFWFLSA-N 1 3 370.457 0.282 20 0 FCADHO O=C(N1CCC2(CCN(CC3CC3)C2=O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161317033 1223196041 /nfs/dbraw/zinc/19/60/41/1223196041.db2.gz LXVMUGYWNXKQAM-OXQOHEQNSA-N 1 3 360.502 0.437 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001161459498 1223200407 /nfs/dbraw/zinc/20/04/07/1223200407.db2.gz MMWAXOASPKWGCC-QGZVFWFLSA-N 1 3 354.458 0.858 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2CCC3(CC2)[NH2+]Cc2ccccc23)C1=O ZINC001161595717 1223205303 /nfs/dbraw/zinc/20/53/03/1223205303.db2.gz SXXHEZNABJRQDE-KRWDZBQOSA-N 1 3 356.470 0.947 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001161601944 1223205682 /nfs/dbraw/zinc/20/56/82/1223205682.db2.gz YSGQQPPUKIGMQR-HKUYNNGSSA-N 1 3 358.486 0.912 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001161601944 1223205684 /nfs/dbraw/zinc/20/56/84/1223205684.db2.gz YSGQQPPUKIGMQR-HKUYNNGSSA-N 1 3 358.486 0.912 20 0 FCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917435 1223221855 /nfs/dbraw/zinc/22/18/55/1223221855.db2.gz OUWYUGFISGDUBA-VHDGCEQUSA-N 1 3 366.462 0.325 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1nn(-c2cc3c(nn2)CC[NH2+]C3)c2c1CNCC2 ZINC001165935151 1223262004 /nfs/dbraw/zinc/26/20/04/1223262004.db2.gz BFZUWVJJNIUDPP-GFCCVEGCSA-N 1 3 367.457 0.578 20 0 FCADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604198 1223561675 /nfs/dbraw/zinc/56/16/75/1223561675.db2.gz DKWRIYFAZIQANN-AYOQOUSVSA-N 1 3 363.502 0.848 20 0 FCADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001208604878 1223561878 /nfs/dbraw/zinc/56/18/78/1223561878.db2.gz LSYIKFZAEJGHED-VQIMIIECSA-N 1 3 363.502 0.850 20 0 FCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952870 1223587730 /nfs/dbraw/zinc/58/77/30/1223587730.db2.gz WCCWCVAAZUNYKJ-CTNGQTDRSA-N 1 3 370.497 0.931 20 0 FCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952870 1223587736 /nfs/dbraw/zinc/58/77/36/1223587736.db2.gz WCCWCVAAZUNYKJ-CTNGQTDRSA-N 1 3 370.497 0.931 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667834 1223647944 /nfs/dbraw/zinc/64/79/44/1223647944.db2.gz LOSIKYICZKLUAD-IBGZPJMESA-N 1 3 370.513 0.677 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667834 1223647945 /nfs/dbraw/zinc/64/79/45/1223647945.db2.gz LOSIKYICZKLUAD-IBGZPJMESA-N 1 3 370.513 0.677 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041905 1223663453 /nfs/dbraw/zinc/66/34/53/1223663453.db2.gz XOBOYPYSSMKBEX-JFIYKMOQSA-N 1 3 371.522 0.321 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041905 1223663459 /nfs/dbraw/zinc/66/34/59/1223663459.db2.gz XOBOYPYSSMKBEX-JFIYKMOQSA-N 1 3 371.522 0.321 20 0 FCADHO CO[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342126 1223788290 /nfs/dbraw/zinc/78/82/90/1223788290.db2.gz IAPGLJMKXCQHFD-ARFHVFGLSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001215184394 1223980585 /nfs/dbraw/zinc/98/05/85/1223980585.db2.gz BRUKSHXXCPOLPE-CQNSDRIQSA-N 1 3 363.502 0.855 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1)[NH+](CC)CC ZINC001215518930 1224004163 /nfs/dbraw/zinc/00/41/63/1224004163.db2.gz REGJDTSJXVCISX-ZACQAIPSSA-N 1 3 370.538 0.696 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001215599135 1224008925 /nfs/dbraw/zinc/00/89/25/1224008925.db2.gz SKECHFBDAXYUFA-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215862021 1224021447 /nfs/dbraw/zinc/02/14/47/1224021447.db2.gz URJJELLWKJMTPH-GDBMZVCRSA-N 1 3 364.494 0.021 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001216001763 1224029611 /nfs/dbraw/zinc/02/96/11/1224029611.db2.gz JIYOGEQTIHTGIA-HUUCEWRRSA-N 1 3 369.510 0.247 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216383815 1224048032 /nfs/dbraw/zinc/04/80/32/1224048032.db2.gz QGARHMYUOQZQMP-HLLBOEOZSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216383815 1224048035 /nfs/dbraw/zinc/04/80/35/1224048035.db2.gz QGARHMYUOQZQMP-HLLBOEOZSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NC1CCCCC1 ZINC001216402141 1224048583 /nfs/dbraw/zinc/04/85/83/1224048583.db2.gz UZNFDBGLYZBNIA-NVXWUHKLSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001216510867 1224053491 /nfs/dbraw/zinc/05/34/91/1224053491.db2.gz BNKPQYSXWOIERE-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001216510867 1224053494 /nfs/dbraw/zinc/05/34/94/1224053494.db2.gz BNKPQYSXWOIERE-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838950 1224077527 /nfs/dbraw/zinc/07/75/27/1224077527.db2.gz JTPSQEKJLHQMGR-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216845031 1224078777 /nfs/dbraw/zinc/07/87/77/1224078777.db2.gz URKOJPHXZORWHO-KBAYOESNSA-N 1 3 368.522 0.450 20 0 FCADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911518380 1245505702 /nfs/dbraw/zinc/50/57/02/1245505702.db2.gz UVOJGXOTQAJGLT-IAGOWNOFSA-N 1 3 356.470 0.814 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000915722037 1245527527 /nfs/dbraw/zinc/52/75/27/1245527527.db2.gz WTIDAYIWEITRMJ-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994219585 1250291473 /nfs/dbraw/zinc/29/14/73/1250291473.db2.gz RKQFTHQAIFVFTA-ZTFGCOKTSA-N 1 3 364.534 0.879 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942548486 1247122180 /nfs/dbraw/zinc/12/21/80/1247122180.db2.gz XERBAJRQYUOWNX-IAGOWNOFSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CN(C)C3CCC3)CCO2)CC[N@@H+]1C ZINC000944619559 1247585694 /nfs/dbraw/zinc/58/56/94/1247585694.db2.gz ZCHRDNRTYKIYFB-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CN(C)C3CCC3)CCO2)CC[N@H+]1C ZINC000944619559 1247585701 /nfs/dbraw/zinc/58/57/01/1247585701.db2.gz ZCHRDNRTYKIYFB-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC000974874056 1248157737 /nfs/dbraw/zinc/15/77/37/1248157737.db2.gz OVHKWMXVMMHVMK-LJIGWXMPSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC000974874056 1248157749 /nfs/dbraw/zinc/15/77/49/1248157749.db2.gz OVHKWMXVMMHVMK-LJIGWXMPSA-N 1 3 359.474 0.742 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC000995307919 1250795702 /nfs/dbraw/zinc/79/57/02/1250795702.db2.gz RTYHGXZDGIGVDJ-IDHHARJASA-N 1 3 359.474 0.791 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC000995307919 1250795710 /nfs/dbraw/zinc/79/57/10/1250795710.db2.gz RTYHGXZDGIGVDJ-IDHHARJASA-N 1 3 359.474 0.791 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000999209214 1252070427 /nfs/dbraw/zinc/07/04/27/1252070427.db2.gz OXJLSZXUXCTRFT-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000999209214 1252070439 /nfs/dbraw/zinc/07/04/39/1252070439.db2.gz OXJLSZXUXCTRFT-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1Cc2ccccc2C1 ZINC001329014386 1265675411 /nfs/dbraw/zinc/67/54/11/1265675411.db2.gz ZHJGJUUOGNUWCE-UHFFFAOYSA-N 1 3 360.502 0.469 20 0 FCADHO CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001004395171 1253312214 /nfs/dbraw/zinc/31/22/14/1253312214.db2.gz NBNJFSPHOGZQCT-NCOADZHNSA-N 1 3 360.502 0.671 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001061622238 1254194462 /nfs/dbraw/zinc/19/44/62/1254194462.db2.gz NYOALDRLEVXLKG-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001061622238 1254194465 /nfs/dbraw/zinc/19/44/65/1254194465.db2.gz NYOALDRLEVXLKG-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001061663013 1254201317 /nfs/dbraw/zinc/20/13/17/1254201317.db2.gz FNYJJIAOCFJDCZ-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001061663013 1254201326 /nfs/dbraw/zinc/20/13/26/1254201326.db2.gz FNYJJIAOCFJDCZ-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978579 1255142664 /nfs/dbraw/zinc/14/26/64/1255142664.db2.gz KFRMIEVHOGTMLU-BHIYHBOVSA-N 1 3 365.518 0.696 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259651 1255491914 /nfs/dbraw/zinc/49/19/14/1255491914.db2.gz MHEXAXMIVYBQOZ-FGTMMUONSA-N 1 3 365.518 0.650 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001330300419 1265982612 /nfs/dbraw/zinc/98/26/12/1265982612.db2.gz PCYYWUGUYBWCIR-KRWDZBQOSA-N 1 3 366.506 0.347 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001330300421 1265982792 /nfs/dbraw/zinc/98/27/92/1265982792.db2.gz PCYYWUGUYBWCIR-QGZVFWFLSA-N 1 3 366.506 0.347 20 0 FCADHO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001080325221 1255842283 /nfs/dbraw/zinc/84/22/83/1255842283.db2.gz WOKNAQCCYQCGDF-ZTFGCOKTSA-N 1 3 363.506 0.774 20 0 FCADHO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001080325221 1255842295 /nfs/dbraw/zinc/84/22/95/1255842295.db2.gz WOKNAQCCYQCGDF-ZTFGCOKTSA-N 1 3 363.506 0.774 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081150870 1256193007 /nfs/dbraw/zinc/19/30/07/1256193007.db2.gz IBYLGTACTSOUAU-AWUNBKGKSA-N 1 3 371.481 0.426 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082512218 1256797190 /nfs/dbraw/zinc/79/71/90/1256797190.db2.gz RUCMCFVVWLMRIQ-HZPDHXFCSA-N 1 3 365.522 0.713 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082561921 1256859255 /nfs/dbraw/zinc/85/92/55/1256859255.db2.gz ZPYZEODROOZBQE-BFYDXBDKSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082653663 1256960011 /nfs/dbraw/zinc/96/00/11/1256960011.db2.gz XBZLOLUYODYURJ-UYJRAODCSA-N 1 3 359.474 0.220 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1N[C@H]1CCNC1=O ZINC001082662817 1256965174 /nfs/dbraw/zinc/96/51/74/1256965174.db2.gz CFLQNGSXZLLCMS-FHLIZLRMSA-N 1 3 358.486 0.729 20 0 FCADHO Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n[nH]1 ZINC001082828811 1257086545 /nfs/dbraw/zinc/08/65/45/1257086545.db2.gz JYEYIZIYZILYOF-XJKCOSOUSA-N 1 3 364.494 0.721 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCC[C@@H](C)C1 ZINC001082863201 1257113842 /nfs/dbraw/zinc/11/38/42/1257113842.db2.gz RXXMXMXNUFORCG-BRWVUGGUSA-N 1 3 362.518 0.777 20 0 FCADHO CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)c1 ZINC001082920793 1257145007 /nfs/dbraw/zinc/14/50/07/1257145007.db2.gz FBOUYIFUZBSJSJ-FHLIZLRMSA-N 1 3 358.486 0.934 20 0 FCADHO CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001082920793 1257145012 /nfs/dbraw/zinc/14/50/12/1257145012.db2.gz FBOUYIFUZBSJSJ-FHLIZLRMSA-N 1 3 358.486 0.934 20 0 FCADHO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@H]2C)on1 ZINC001082923373 1257146613 /nfs/dbraw/zinc/14/66/13/1257146613.db2.gz GVPBSUZTZFAGKK-IJEWVQPXSA-N 1 3 366.462 0.588 20 0 FCADHO CN(C)C(=O)CN1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001084981945 1258494213 /nfs/dbraw/zinc/49/42/13/1258494213.db2.gz SNXJDLMMBWFSRO-PBHICJAKSA-N 1 3 355.442 0.959 20 0 FCADHO Cc1nc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092927 1258588411 /nfs/dbraw/zinc/58/84/11/1258588411.db2.gz WEQHNQBQCVQNAB-SQNIBIBYSA-N 1 3 360.506 0.769 20 0 FCADHO Cc1nc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092927 1258588418 /nfs/dbraw/zinc/58/84/18/1258588418.db2.gz WEQHNQBQCVQNAB-SQNIBIBYSA-N 1 3 360.506 0.769 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106662991 1258936364 /nfs/dbraw/zinc/93/63/64/1258936364.db2.gz MHOXXMTUVDZOAD-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106668984 1258938491 /nfs/dbraw/zinc/93/84/91/1258938491.db2.gz SMUFCIDRVWTRNT-NVXWUHKLSA-N 1 3 364.534 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001106905949 1258993327 /nfs/dbraw/zinc/99/33/27/1258993327.db2.gz PCUVKWZSBMQLHJ-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001106910926 1258994200 /nfs/dbraw/zinc/99/42/00/1258994200.db2.gz VTVNHRUPRYZSFZ-IXDOHACOSA-N 1 3 368.522 0.260 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001106910934 1258994288 /nfs/dbraw/zinc/99/42/88/1258994288.db2.gz WERSCTRGNKNXKI-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570766 1259180390 /nfs/dbraw/zinc/18/03/90/1259180390.db2.gz FDIQJFAJABWKCE-OIISXLGYSA-N 1 3 368.522 0.354 20 0 FCADHO CN1CCC[C@@H](NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570981 1259180614 /nfs/dbraw/zinc/18/06/14/1259180614.db2.gz IVQFGAYWSAZPEV-ZACQAIPSSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CCN1 ZINC001246157490 1259650266 /nfs/dbraw/zinc/65/02/66/1259650266.db2.gz OUTYXILFMWQTPT-NZSAHSFTSA-N 1 3 374.529 0.768 20 0 FCADHO COc1ccc(CN2CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CC2=O)cc1 ZINC001246419451 1259651724 /nfs/dbraw/zinc/65/17/24/1259651724.db2.gz VSPGJMUZCRSFBQ-RDJZCZTQSA-N 1 3 362.474 0.759 20 0 FCADHO CNC(=O)[C@H](CCCNC(=[NH2+])NC1CCCC1)NC(=O)[C@@H](N)CC(C)C ZINC001246516744 1259655519 /nfs/dbraw/zinc/65/55/19/1259655519.db2.gz ZJWSISRDSRVJEN-GJZGRUSLSA-N 1 3 368.526 0.427 20 0 FCADHO O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711068 1259665209 /nfs/dbraw/zinc/66/52/09/1259665209.db2.gz YZCCVLXFNAJOIW-XAUMDUMWSA-N 1 3 374.485 0.471 20 0 FCADHO c1ncn2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1ccccn1)C2 ZINC001246763388 1259683321 /nfs/dbraw/zinc/68/33/21/1259683321.db2.gz BWEGRHNYBQFKIJ-IRXDYDNUSA-N 1 3 368.485 0.883 20 0 FCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765220 1259683781 /nfs/dbraw/zinc/68/37/81/1259683781.db2.gz INISOKNCESDHCA-RNGZQALNSA-N 1 3 359.474 0.684 20 0 FCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765220 1259683796 /nfs/dbraw/zinc/68/37/96/1259683796.db2.gz INISOKNCESDHCA-RNGZQALNSA-N 1 3 359.474 0.684 20 0 FCADHO COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920237 1259694437 /nfs/dbraw/zinc/69/44/37/1259694437.db2.gz DHOPMUSNGHSISE-RTBURBONSA-N 1 3 372.513 0.830 20 0 FCADHO C[NH+]1CCN(Cc2cccc(-c3noc(CN4CCNCC4=O)n3)c2)CC1 ZINC001247712284 1259705372 /nfs/dbraw/zinc/70/53/72/1259705372.db2.gz DHZYJZWUWQSXLT-UHFFFAOYSA-N 1 3 370.457 0.416 20 0 FCADHO NC(=O)C1CC[NH+](CCc2nc(-c3ccc4c(n3)CCNC4)no2)CC1 ZINC001248132453 1259708567 /nfs/dbraw/zinc/70/85/67/1259708567.db2.gz INGZHKQWKXTEEZ-UHFFFAOYSA-N 1 3 356.430 0.517 20 0 FCADHO CN1CCN(Cc2cccc(-c3noc(C[C@@H]([NH3+])CC(N)=O)n3)c2)CC1 ZINC001249345002 1259722209 /nfs/dbraw/zinc/72/22/09/1259722209.db2.gz DDQGKXXIGPZRFQ-HNNXBMFYSA-N 1 3 358.446 0.229 20 0 FCADHO O=C1NC(=O)C2(CCN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931856 1259813237 /nfs/dbraw/zinc/81/32/37/1259813237.db2.gz OEKIYSUXHNSOAC-SFHVURJKSA-N 1 3 358.442 0.297 20 0 FCADHO O=C1NC(=O)C2(CCN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931856 1259813246 /nfs/dbraw/zinc/81/32/46/1259813246.db2.gz OEKIYSUXHNSOAC-SFHVURJKSA-N 1 3 358.442 0.297 20 0 FCADHO Cn1cc(C2=NO[C@H](C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cn1 ZINC001335741064 1259817037 /nfs/dbraw/zinc/81/70/37/1259817037.db2.gz FHGMSWXIYJOAHM-SFHVURJKSA-N 1 3 374.489 0.588 20 0 FCADHO CC(C)N1CCN(CC[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253161961 1259823798 /nfs/dbraw/zinc/82/37/98/1259823798.db2.gz GCFAKCYJKCQETE-IBGZPJMESA-N 1 3 365.518 0.577 20 0 FCADHO C[N@@H+]1CC[C@](O)(CNC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999314 1259937539 /nfs/dbraw/zinc/93/75/39/1259937539.db2.gz DSDZZGWEGDTRAE-MSOLQXFVSA-N 1 3 357.495 0.795 20 0 FCADHO C[N@H+]1CC[C@](O)(CNC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999314 1259937554 /nfs/dbraw/zinc/93/75/54/1259937554.db2.gz DSDZZGWEGDTRAE-MSOLQXFVSA-N 1 3 357.495 0.795 20 0 FCADHO C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001256342618 1259948399 /nfs/dbraw/zinc/94/83/99/1259948399.db2.gz IAMLVYUAKCEXJB-HNNXBMFYSA-N 1 3 366.506 0.286 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862312 1259976025 /nfs/dbraw/zinc/97/60/25/1259976025.db2.gz CDKBGQGIZLRELZ-MOPGFXCFSA-N 1 3 372.513 0.972 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862312 1259976031 /nfs/dbraw/zinc/97/60/31/1259976031.db2.gz CDKBGQGIZLRELZ-MOPGFXCFSA-N 1 3 372.513 0.972 20 0 FCADHO Cc1cn(CC(=O)NCC[NH2+]C2CCN(CC(C)C)CC2)c(=O)[nH]c1=O ZINC001258005958 1260031619 /nfs/dbraw/zinc/03/16/19/1260031619.db2.gz YZNQOUQVKBVYRI-UHFFFAOYSA-N 1 3 365.478 0.084 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001261960575 1260231543 /nfs/dbraw/zinc/23/15/43/1260231543.db2.gz AQSPRQPYARPABE-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001261960575 1260231548 /nfs/dbraw/zinc/23/15/48/1260231548.db2.gz AQSPRQPYARPABE-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001337070358 1260299331 /nfs/dbraw/zinc/29/93/31/1260299331.db2.gz NXIHHRNMRDETEN-UHFFFAOYSA-N 1 3 351.495 0.452 20 0 FCADHO CN(C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272832767 1260513130 /nfs/dbraw/zinc/51/31/30/1260513130.db2.gz YVUMMAGQTFRZJL-YLJYHZDGSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502264 1260881184 /nfs/dbraw/zinc/88/11/84/1260881184.db2.gz PFWNQRJDIGARLK-ULQDDVLXSA-N 1 3 359.474 0.260 20 0 FCADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502264 1260881190 /nfs/dbraw/zinc/88/11/90/1260881190.db2.gz PFWNQRJDIGARLK-ULQDDVLXSA-N 1 3 359.474 0.260 20 0 FCADHO CC/C=C\CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001279520975 1260882923 /nfs/dbraw/zinc/88/29/23/1260882923.db2.gz JLKIDIIKDZFRDN-MBZYTVFJSA-N 1 3 362.518 0.943 20 0 FCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279918 1266369250 /nfs/dbraw/zinc/36/92/50/1266369250.db2.gz LMTFHFOJXXKILJ-ZWKOTPCHSA-N 1 3 369.469 0.650 20 0 FCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279915 1266370465 /nfs/dbraw/zinc/37/04/65/1266370465.db2.gz LMTFHFOJXXKILJ-MSOLQXFVSA-N 1 3 369.469 0.650 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332331071 1266377376 /nfs/dbraw/zinc/37/73/76/1266377376.db2.gz HRUOAYTYGAFLQP-OKILXGFUSA-N 1 3 368.428 0.709 20 0 FCADHO C[NH+]1CCC(CCN2CC[C@H]3C[C@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280140499 1261014054 /nfs/dbraw/zinc/01/40/54/1261014054.db2.gz KSWAFDPWZDWHAK-QFBILLFUSA-N 1 3 358.490 0.817 20 0 FCADHO Cc1cc(CN2C[C@H]3C(=O)NC4(CC[NH+](C[C@@H](C)O)CC4)[C@@H]3C2)n(C)n1 ZINC001280188738 1261026473 /nfs/dbraw/zinc/02/64/73/1261026473.db2.gz JODHDCRLHCSQLS-DJIMGWMZSA-N 1 3 361.490 0.122 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CCn2nccc2CN1CCN(C)C ZINC001280222133 1261039290 /nfs/dbraw/zinc/03/92/90/1261039290.db2.gz ZJAADEXYUWHAKL-GOSISDBHSA-N 1 3 364.538 0.819 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2CN(Cc3cnc[nH]3)C[C@H]3CCCO[C@H]32)CC1 ZINC001280341863 1261059154 /nfs/dbraw/zinc/05/91/54/1261059154.db2.gz QFCKSPMVZMJYMT-FHLIZLRMSA-N 1 3 361.490 0.847 20 0 FCADHO C[C@H](C(=O)NC1CC1)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506957906 1264348670 /nfs/dbraw/zinc/34/86/70/1264348670.db2.gz FKUBURXHIRZLCL-CKEIUWERSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@H](C(=O)NC1CC1)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506957906 1264348678 /nfs/dbraw/zinc/34/86/78/1264348678.db2.gz FKUBURXHIRZLCL-CKEIUWERSA-N 1 3 350.507 0.917 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001512351022 1264619878 /nfs/dbraw/zinc/61/98/78/1264619878.db2.gz BMPYWTDDKGPOMV-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001512351022 1264619883 /nfs/dbraw/zinc/61/98/83/1264619883.db2.gz BMPYWTDDKGPOMV-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(OCCO)CC3)CC2)CC1 ZINC001324467028 1264651955 /nfs/dbraw/zinc/65/19/55/1264651955.db2.gz MHHPZGHXIHQBBM-UHFFFAOYSA-N 1 3 368.522 0.728 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001512846126 1264690445 /nfs/dbraw/zinc/69/04/45/1264690445.db2.gz JGTVFZKLZSXZGI-JKSUJKDBSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC001325307011 1264843049 /nfs/dbraw/zinc/84/30/49/1264843049.db2.gz JANALRYNZVBLMT-ZWKOTPCHSA-N 1 3 360.502 0.686 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001325829781 1265005475 /nfs/dbraw/zinc/00/54/75/1265005475.db2.gz GEGDPUWZFWFNAF-BPQIPLTHSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580406624 1278244752 /nfs/dbraw/zinc/24/47/52/1278244752.db2.gz QVBBAVPGSHKHOV-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580406624 1278244755 /nfs/dbraw/zinc/24/47/55/1278244755.db2.gz QVBBAVPGSHKHOV-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580406624 1278244761 /nfs/dbraw/zinc/24/47/61/1278244761.db2.gz QVBBAVPGSHKHOV-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580406624 1278244763 /nfs/dbraw/zinc/24/47/63/1278244763.db2.gz QVBBAVPGSHKHOV-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)c3cnn(C)c3)CC2)CC1 ZINC001326353384 1265098535 /nfs/dbraw/zinc/09/85/35/1265098535.db2.gz JDENFQVDZZGZBB-SFHVURJKSA-N 1 3 363.506 0.766 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)o1 ZINC001326927205 1265200628 /nfs/dbraw/zinc/20/06/28/1265200628.db2.gz SFUSOSIQYZLQPA-MRXNPFEDSA-N 1 3 364.490 0.888 20 0 FCADHO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC001327024726 1265219112 /nfs/dbraw/zinc/21/91/12/1265219112.db2.gz UIAODSFFHRWXEH-INIZCTEOSA-N 1 3 362.474 0.497 20 0 FCADHO c1cc(N2CC[NH2+]CC2)oc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC001334753456 1267161912 /nfs/dbraw/zinc/16/19/12/1267161912.db2.gz DDIMOTWMCPJAAS-UHFFFAOYSA-N 1 3 371.489 0.764 20 0 FCADHO O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464268 1267948813 /nfs/dbraw/zinc/94/88/13/1267948813.db2.gz CBWZVLLUTJYJRX-GBESFXJTSA-N 1 3 350.459 0.115 20 0 FCADHO O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464268 1267948817 /nfs/dbraw/zinc/94/88/17/1267948817.db2.gz CBWZVLLUTJYJRX-GBESFXJTSA-N 1 3 350.459 0.115 20 0 FCADHO Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)n1 ZINC001550005401 1268043747 /nfs/dbraw/zinc/04/37/47/1268043747.db2.gz SGTSRMUYVASCDD-FGTMMUONSA-N 1 3 374.533 0.865 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001550085494 1268072214 /nfs/dbraw/zinc/07/22/14/1268072214.db2.gz PHKMPFOHOBZDMN-MRXNPFEDSA-N 1 3 354.495 0.189 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC001550911264 1268183283 /nfs/dbraw/zinc/18/32/83/1268183283.db2.gz AANDQWXCPJZENC-CXAGYDPISA-N 1 3 365.865 0.910 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1cccnc1Cl ZINC001550911810 1268183946 /nfs/dbraw/zinc/18/39/46/1268183946.db2.gz DQNBUTGAQPSZLA-LRDDRELGSA-N 1 3 365.865 0.910 20 0 FCADHO O=c1cc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)nc2ccccn12 ZINC001550914489 1268184452 /nfs/dbraw/zinc/18/44/52/1268184452.db2.gz YCACNNBVWQKPOW-DNVCBOLYSA-N 1 3 355.442 0.431 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC001550912048 1268184674 /nfs/dbraw/zinc/18/46/74/1268184674.db2.gz FFXITPBIBNFFST-CXAGYDPISA-N 1 3 365.865 0.910 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001550980904 1268187900 /nfs/dbraw/zinc/18/79/00/1268187900.db2.gz SDHQEFZAPHMYSC-GVDBMIGSSA-N 1 3 354.495 0.600 20 0 FCADHO C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)C1 ZINC001551229802 1268216197 /nfs/dbraw/zinc/21/61/97/1268216197.db2.gz RUTBSVIRKXDVAA-MANSERQUSA-N 1 3 358.486 0.792 20 0 FCADHO C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)C1 ZINC001551229802 1268216202 /nfs/dbraw/zinc/21/62/02/1268216202.db2.gz RUTBSVIRKXDVAA-MANSERQUSA-N 1 3 358.486 0.792 20 0 FCADHO CN1[C@H](CO)C[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]21 ZINC001551477843 1268258783 /nfs/dbraw/zinc/25/87/83/1268258783.db2.gz HZVCDPGCXJXPPA-JURFCUMRSA-N 1 3 358.486 0.752 20 0 FCADHO CCN1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597798 1268283655 /nfs/dbraw/zinc/28/36/55/1268283655.db2.gz XBWNETZNUAFWBW-WBVHZDCISA-N 1 3 351.495 0.370 20 0 FCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(CCO)CC2)C1 ZINC001552015289 1268351297 /nfs/dbraw/zinc/35/12/97/1268351297.db2.gz ZZUOSVRTAYCZIK-DLBZAZTESA-N 1 3 354.495 0.338 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001552100170 1268373490 /nfs/dbraw/zinc/37/34/90/1268373490.db2.gz UXIMSOMOHXXKSQ-BRWVUGGUSA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC001552100170 1268373499 /nfs/dbraw/zinc/37/34/99/1268373499.db2.gz UXIMSOMOHXXKSQ-BRWVUGGUSA-N 1 3 367.538 0.299 20 0 FCADHO CN(C)CCn1c2cc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)ccc2oc1=O ZINC001552201473 1268408335 /nfs/dbraw/zinc/40/83/35/1268408335.db2.gz NZUAOTNXDIAAFR-XIKOKIGWSA-N 1 3 360.414 0.331 20 0 FCADHO CCC(C)(C)N1CCN(C(=O)Cn2cc([C@H]3C[NH2+]C[C@@H]3OC)nn2)CC1 ZINC001552210488 1268411428 /nfs/dbraw/zinc/41/14/28/1268411428.db2.gz ANDZHSQMYZNUDG-ZBFHGGJFSA-N 1 3 364.494 0.313 20 0 FCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001552214955 1268412710 /nfs/dbraw/zinc/41/27/10/1268412710.db2.gz XIJAICLKNRELRX-UONOGXRCSA-N 1 3 364.450 0.036 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001340185183 1268463181 /nfs/dbraw/zinc/46/31/81/1268463181.db2.gz RWVJMIDYJUOTJA-INMHGKMJSA-N 1 3 356.511 0.482 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001340185187 1268463760 /nfs/dbraw/zinc/46/37/60/1268463760.db2.gz RWVJMIDYJUOTJA-UXLLHSPISA-N 1 3 356.511 0.482 20 0 FCADHO O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001340397060 1268534227 /nfs/dbraw/zinc/53/42/27/1268534227.db2.gz DCYIEVIERSFQNL-UYAOXDASSA-N 1 3 361.486 0.898 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@H]4C[NH2+]C[C@H]43)cc21 ZINC001552844719 1268558133 /nfs/dbraw/zinc/55/81/33/1268558133.db2.gz QXMYPRLMOZHLEX-CVEARBPZSA-N 1 3 359.430 0.116 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@@H]4C[NH2+]C[C@H]43)cc21 ZINC001552844729 1268558228 /nfs/dbraw/zinc/55/82/28/1268558228.db2.gz QXMYPRLMOZHLEX-HZPDHXFCSA-N 1 3 359.430 0.116 20 0 FCADHO CN1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)CC1(C)C ZINC001553482655 1268658350 /nfs/dbraw/zinc/65/83/50/1268658350.db2.gz VBLQBZSAFJLHTB-OAHLLOKOSA-N 1 3 353.511 0.080 20 0 FCADHO O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553503109 1268659553 /nfs/dbraw/zinc/65/95/53/1268659553.db2.gz MRIGJKGSAVAEJJ-ZJPYXAASSA-N 1 3 366.506 0.384 20 0 FCADHO O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CCN([C@H]2CCOC2)CC1 ZINC001553512054 1268660819 /nfs/dbraw/zinc/66/08/19/1268660819.db2.gz VEITZNIKSQHYAF-JKSUJKDBSA-N 1 3 352.479 0.308 20 0 FCADHO COC(=O)[C@H]1CNCCCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC001340933265 1268715997 /nfs/dbraw/zinc/71/59/97/1268715997.db2.gz ZYIWPISSLZJETF-UYSNPLJNSA-N 1 3 353.463 0.241 20 0 FCADHO COC(=O)[C@H]1CNCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001340933265 1268716003 /nfs/dbraw/zinc/71/60/03/1268716003.db2.gz ZYIWPISSLZJETF-UYSNPLJNSA-N 1 3 353.463 0.241 20 0 FCADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341527244 1269055719 /nfs/dbraw/zinc/05/57/19/1269055719.db2.gz VHAHJIDYVALVSO-FQEVSTJZSA-N 1 3 371.485 0.584 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1=O ZINC001342082626 1269338796 /nfs/dbraw/zinc/33/87/96/1269338796.db2.gz XOBLVJXCWFPOSZ-KRWDZBQOSA-N 1 3 372.513 0.916 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001567035921 1269675492 /nfs/dbraw/zinc/67/54/92/1269675492.db2.gz LARIHNYVAUCBGV-FUHWJXTLSA-N 1 3 353.507 0.696 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@H](OC)C1 ZINC001342940380 1269691175 /nfs/dbraw/zinc/69/11/75/1269691175.db2.gz UGEGTYBTIOLCTC-HZPDHXFCSA-N 1 3 354.495 0.155 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@H](OC)C1 ZINC001342940380 1269691182 /nfs/dbraw/zinc/69/11/82/1269691182.db2.gz UGEGTYBTIOLCTC-HZPDHXFCSA-N 1 3 354.495 0.155 20 0 FCADHO CN(CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O)C1CCC1 ZINC001343477737 1269920999 /nfs/dbraw/zinc/92/09/99/1269920999.db2.gz XCKPXJXBGQKZCE-CVEARBPZSA-N 1 3 368.522 0.137 20 0 FCADHO CN(CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O)C1CCC1 ZINC001343477737 1269921006 /nfs/dbraw/zinc/92/10/06/1269921006.db2.gz XCKPXJXBGQKZCE-CVEARBPZSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O)N(C)C ZINC001343705495 1269987816 /nfs/dbraw/zinc/98/78/16/1269987816.db2.gz PWMTXVZAHJPAPO-SOLBZPMBSA-N 1 3 368.522 0.137 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001572828454 1270207608 /nfs/dbraw/zinc/20/76/08/1270207608.db2.gz GIFZFVBNPTWAHV-BRWVUGGUSA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001572828454 1270207615 /nfs/dbraw/zinc/20/76/15/1270207615.db2.gz GIFZFVBNPTWAHV-BRWVUGGUSA-N 1 3 366.506 0.033 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1OC)N(C)C ZINC001572960770 1270413907 /nfs/dbraw/zinc/41/39/07/1270413907.db2.gz WYBVMYXFQYFLNQ-OWCLPIDISA-N 1 3 370.538 0.647 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1OC)N(C)C ZINC001572960770 1270413908 /nfs/dbraw/zinc/41/39/08/1270413908.db2.gz WYBVMYXFQYFLNQ-OWCLPIDISA-N 1 3 370.538 0.647 20 0 FCADHO CCc1nnc(N2CC[NH2+]CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001573839985 1270901413 /nfs/dbraw/zinc/90/14/13/1270901413.db2.gz IVUCGQWYTFJLHD-OAHLLOKOSA-N 1 3 363.510 0.193 20 0 FCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574592068 1271389695 /nfs/dbraw/zinc/38/96/95/1271389695.db2.gz CJCFYXZNYBZXJZ-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574592068 1271389700 /nfs/dbraw/zinc/38/97/00/1271389700.db2.gz CJCFYXZNYBZXJZ-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595134 1271393605 /nfs/dbraw/zinc/39/36/05/1271393605.db2.gz DRMBOBVBMHQBMG-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595134 1271393612 /nfs/dbraw/zinc/39/36/12/1271393612.db2.gz DRMBOBVBMHQBMG-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595134 1271393617 /nfs/dbraw/zinc/39/36/17/1271393617.db2.gz DRMBOBVBMHQBMG-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595134 1271393626 /nfs/dbraw/zinc/39/36/26/1271393626.db2.gz DRMBOBVBMHQBMG-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876313 1271634780 /nfs/dbraw/zinc/63/47/80/1271634780.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876313 1271634787 /nfs/dbraw/zinc/63/47/87/1271634787.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876313 1271634793 /nfs/dbraw/zinc/63/47/93/1271634793.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876313 1271634805 /nfs/dbraw/zinc/63/48/05/1271634805.db2.gz LJNBHIFNYPMNGT-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C[C@@H](O)C2CC[NH2+]CC2)C1 ZINC001575214484 1271795194 /nfs/dbraw/zinc/79/51/94/1271795194.db2.gz UXFBJZFKJUCKMM-CRAIPNDOSA-N 1 3 357.495 0.699 20 0 FCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575393830 1272041387 /nfs/dbraw/zinc/04/13/87/1272041387.db2.gz XXKYTWJXYNBYMY-NWDGAFQWSA-N 1 3 363.441 0.940 20 0 FCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575393830 1272041394 /nfs/dbraw/zinc/04/13/94/1272041394.db2.gz XXKYTWJXYNBYMY-NWDGAFQWSA-N 1 3 363.441 0.940 20 0 FCADHO C[C@@H](CN(C)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1)[NH2+]CCc1c[nH]nn1 ZINC001575556837 1272195694 /nfs/dbraw/zinc/19/56/94/1272195694.db2.gz USPYKXAIOAFJLS-LRDDRELGSA-N 1 3 360.466 0.587 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(CNCc3cn[nH]n3)CCOCC2)C1 ZINC001576748220 1273619509 /nfs/dbraw/zinc/61/95/09/1273619509.db2.gz VGTYTVFBTKKFPU-ZBFHGGJFSA-N 1 3 364.494 0.680 20 0 FCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576817276 1273737570 /nfs/dbraw/zinc/73/75/70/1273737570.db2.gz NNVXLOGGTKNSQA-ZDUSSCGKSA-N 1 3 363.441 0.942 20 0 FCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001576817276 1273737573 /nfs/dbraw/zinc/73/75/73/1273737573.db2.gz NNVXLOGGTKNSQA-ZDUSSCGKSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577862919 1275033479 /nfs/dbraw/zinc/03/34/79/1275033479.db2.gz NEGMGXCGAMQTRL-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577862919 1275033484 /nfs/dbraw/zinc/03/34/84/1275033484.db2.gz NEGMGXCGAMQTRL-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577862919 1275033491 /nfs/dbraw/zinc/03/34/91/1275033491.db2.gz NEGMGXCGAMQTRL-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577862919 1275033500 /nfs/dbraw/zinc/03/35/00/1275033500.db2.gz NEGMGXCGAMQTRL-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001577992913 1275238645 /nfs/dbraw/zinc/23/86/45/1275238645.db2.gz DPEUNRTULTUAJR-CVEARBPZSA-N 1 3 362.478 0.577 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001577992913 1275238652 /nfs/dbraw/zinc/23/86/52/1275238652.db2.gz DPEUNRTULTUAJR-CVEARBPZSA-N 1 3 362.478 0.577 20 0 FCADHO CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001578107965 1275411417 /nfs/dbraw/zinc/41/14/17/1275411417.db2.gz XIEXMSJGNCFWTN-INIZCTEOSA-N 1 3 374.493 0.839 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529660 1275961023 /nfs/dbraw/zinc/96/10/23/1275961023.db2.gz WXJRTFUKHRZWRR-LSDHHAIUSA-N 1 3 351.495 0.323 20 0 FCADHO C[NH2+]C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)C1 ZINC001578666476 1276119285 /nfs/dbraw/zinc/11/92/85/1276119285.db2.gz IGTDTVNGHJYOEN-HNNXBMFYSA-N 1 3 363.510 0.558 20 0 FCADHO C[NH+](C)CC1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC001578971843 1276516530 /nfs/dbraw/zinc/51/65/30/1276516530.db2.gz KUNBUEYMBFDXOZ-UHFFFAOYSA-N 1 3 369.473 0.947 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001578973585 1276521220 /nfs/dbraw/zinc/52/12/20/1276521220.db2.gz UMEBFYRFQHLLHV-WKILWMFISA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001578973585 1276521226 /nfs/dbraw/zinc/52/12/26/1276521226.db2.gz UMEBFYRFQHLLHV-WKILWMFISA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578981198 1276542142 /nfs/dbraw/zinc/54/21/42/1276542142.db2.gz SXYWJFSPBFNCLU-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578981198 1276542145 /nfs/dbraw/zinc/54/21/45/1276542145.db2.gz SXYWJFSPBFNCLU-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578981198 1276542147 /nfs/dbraw/zinc/54/21/47/1276542147.db2.gz SXYWJFSPBFNCLU-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578981198 1276542149 /nfs/dbraw/zinc/54/21/49/1276542149.db2.gz SXYWJFSPBFNCLU-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578988361 1276561857 /nfs/dbraw/zinc/56/18/57/1276561857.db2.gz WNWFDTLHYICMMD-FZNQNYSPSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578988361 1276561861 /nfs/dbraw/zinc/56/18/61/1276561861.db2.gz WNWFDTLHYICMMD-FZNQNYSPSA-N 1 3 357.462 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325157 1277142664 /nfs/dbraw/zinc/14/26/64/1277142664.db2.gz AZPFCQAVPGZKEK-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325157 1277142668 /nfs/dbraw/zinc/14/26/68/1277142668.db2.gz AZPFCQAVPGZKEK-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325157 1277142670 /nfs/dbraw/zinc/14/26/70/1277142670.db2.gz AZPFCQAVPGZKEK-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325157 1277142672 /nfs/dbraw/zinc/14/26/72/1277142672.db2.gz AZPFCQAVPGZKEK-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326481 1277148819 /nfs/dbraw/zinc/14/88/19/1277148819.db2.gz JYFQMSSUVNBOSH-GJZGRUSLSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326481 1277148821 /nfs/dbraw/zinc/14/88/21/1277148821.db2.gz JYFQMSSUVNBOSH-GJZGRUSLSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326481 1277148822 /nfs/dbraw/zinc/14/88/22/1277148822.db2.gz JYFQMSSUVNBOSH-GJZGRUSLSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326481 1277148824 /nfs/dbraw/zinc/14/88/24/1277148824.db2.gz JYFQMSSUVNBOSH-GJZGRUSLSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327519 1277155463 /nfs/dbraw/zinc/15/54/63/1277155463.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327519 1277155465 /nfs/dbraw/zinc/15/54/65/1277155465.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327519 1277155467 /nfs/dbraw/zinc/15/54/67/1277155467.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327519 1277155469 /nfs/dbraw/zinc/15/54/69/1277155469.db2.gz UZLWRSCZXSEOQH-JKSUJKDBSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331792 1277162093 /nfs/dbraw/zinc/16/20/93/1277162093.db2.gz FQWMVIYYTTVQIC-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331792 1277162097 /nfs/dbraw/zinc/16/20/97/1277162097.db2.gz FQWMVIYYTTVQIC-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331792 1277162098 /nfs/dbraw/zinc/16/20/98/1277162098.db2.gz FQWMVIYYTTVQIC-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331792 1277162103 /nfs/dbraw/zinc/16/21/03/1277162103.db2.gz FQWMVIYYTTVQIC-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579334943 1277172968 /nfs/dbraw/zinc/17/29/68/1277172968.db2.gz KEDNLBUHBGOXPG-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579334943 1277172971 /nfs/dbraw/zinc/17/29/71/1277172971.db2.gz KEDNLBUHBGOXPG-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579334943 1277172972 /nfs/dbraw/zinc/17/29/72/1277172972.db2.gz KEDNLBUHBGOXPG-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579334943 1277172975 /nfs/dbraw/zinc/17/29/75/1277172975.db2.gz KEDNLBUHBGOXPG-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579338609 1277181037 /nfs/dbraw/zinc/18/10/37/1277181037.db2.gz RNUJGYVZSFFZID-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579338609 1277181039 /nfs/dbraw/zinc/18/10/39/1277181039.db2.gz RNUJGYVZSFFZID-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579338609 1277181042 /nfs/dbraw/zinc/18/10/42/1277181042.db2.gz RNUJGYVZSFFZID-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579338609 1277181045 /nfs/dbraw/zinc/18/10/45/1277181045.db2.gz RNUJGYVZSFFZID-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1cc(NCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026504 1279259486 /nfs/dbraw/zinc/25/94/86/1279259486.db2.gz LVXHFGYIMBDLNL-OLZOCXBDSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(NCC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026504 1279259489 /nfs/dbraw/zinc/25/94/89/1279259489.db2.gz LVXHFGYIMBDLNL-OLZOCXBDSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038925 1279276677 /nfs/dbraw/zinc/27/66/77/1279276677.db2.gz FTJHFZKVLAEBNJ-UBHSHLNASA-N 1 3 370.461 0.393 20 0 FCADHO Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038925 1279276685 /nfs/dbraw/zinc/27/66/85/1279276685.db2.gz FTJHFZKVLAEBNJ-UBHSHLNASA-N 1 3 370.461 0.393 20 0 FCADHO Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038924 1279276715 /nfs/dbraw/zinc/27/67/15/1279276715.db2.gz FTJHFZKVLAEBNJ-MRVWCRGKSA-N 1 3 370.461 0.393 20 0 FCADHO Cc1cc(N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038924 1279276724 /nfs/dbraw/zinc/27/67/24/1279276724.db2.gz FTJHFZKVLAEBNJ-MRVWCRGKSA-N 1 3 370.461 0.393 20 0 FCADHO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000739 1282988056 /nfs/dbraw/zinc/98/80/56/1282988056.db2.gz RBGVQOQHPDRXPC-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000739 1282988061 /nfs/dbraw/zinc/98/80/61/1282988061.db2.gz RBGVQOQHPDRXPC-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](CC[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589828315 1283065368 /nfs/dbraw/zinc/06/53/68/1283065368.db2.gz OJRKDCKSMPAROH-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CC[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589828315 1283065376 /nfs/dbraw/zinc/06/53/76/1283065376.db2.gz OJRKDCKSMPAROH-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO CC[NH2+]CC1CC[NH+](C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001590745574 1283799618 /nfs/dbraw/zinc/79/96/18/1283799618.db2.gz HSGRFYKOUUNDAF-OAHLLOKOSA-N 1 3 360.462 0.928 20 0 FCADHO CC[NH2+]CC1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001590745574 1283799623 /nfs/dbraw/zinc/79/96/23/1283799623.db2.gz HSGRFYKOUUNDAF-OAHLLOKOSA-N 1 3 360.462 0.928 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001683319763 1283941428 /nfs/dbraw/zinc/94/14/28/1283941428.db2.gz RSRZYHOWMOAISG-BZUAXINKSA-N 1 3 368.522 0.399 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591176535 1284272271 /nfs/dbraw/zinc/27/22/71/1284272271.db2.gz QMTAGNBTQACVSO-CYBMUJFWSA-N 1 3 361.425 0.553 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591176535 1284272280 /nfs/dbraw/zinc/27/22/80/1284272280.db2.gz QMTAGNBTQACVSO-CYBMUJFWSA-N 1 3 361.425 0.553 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C[C@H]1C[NH+](C)C ZINC001604689915 1287734742 /nfs/dbraw/zinc/73/47/42/1287734742.db2.gz HSIOIHMZQCSDJX-ZIAGYGMSSA-N 1 3 373.465 0.465 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C[C@H]1C[NH+](C)C ZINC001604689915 1287734749 /nfs/dbraw/zinc/73/47/49/1287734749.db2.gz HSIOIHMZQCSDJX-ZIAGYGMSSA-N 1 3 373.465 0.465 20 0 FCADHO O[C@@H](COc1ccccc1-c1nnn[n-]1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511761 1286188580 /nfs/dbraw/zinc/18/85/80/1286188580.db2.gz KTHNXBDSWGMJGS-CQSZACIVSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@@H](COc1ccccc1-c1nnn[n-]1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511761 1286188581 /nfs/dbraw/zinc/18/85/81/1286188581.db2.gz KTHNXBDSWGMJGS-CQSZACIVSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@@H](COc1ccccc1-c1nn[n-]n1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511761 1286188584 /nfs/dbraw/zinc/18/85/84/1286188584.db2.gz KTHNXBDSWGMJGS-CQSZACIVSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@@H](COc1ccccc1-c1nn[n-]n1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511761 1286188587 /nfs/dbraw/zinc/18/85/87/1286188587.db2.gz KTHNXBDSWGMJGS-CQSZACIVSA-N 1 3 358.446 0.682 20 0 FCADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001707162298 1286484150 /nfs/dbraw/zinc/48/41/50/1286484150.db2.gz VVDJBRJDHCYOLW-HIFRSBDPSA-N 1 3 367.494 0.001 20 0 FCADHO CC[C@H](C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1)OC ZINC001707178203 1286492069 /nfs/dbraw/zinc/49/20/69/1286492069.db2.gz IISCOMBKECACFG-BPLDGKMQSA-N 1 3 365.478 0.653 20 0 FCADHO CC[C@H](C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1)OC ZINC001707178203 1286492072 /nfs/dbraw/zinc/49/20/72/1286492072.db2.gz IISCOMBKECACFG-BPLDGKMQSA-N 1 3 365.478 0.653 20 0 FCADHO Cc1oncc1CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724976966 1288457509 /nfs/dbraw/zinc/45/75/09/1288457509.db2.gz OYUIIRLTIYWFNE-CZUORRHYSA-N 1 3 350.463 0.766 20 0 FCADHO Cc1oncc1CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001724976966 1288457511 /nfs/dbraw/zinc/45/75/11/1288457511.db2.gz OYUIIRLTIYWFNE-CZUORRHYSA-N 1 3 350.463 0.766 20 0 FCADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104868 1288663546 /nfs/dbraw/zinc/66/35/46/1288663546.db2.gz RYGANCDULCIZQH-IRXDYDNUSA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104868 1288663549 /nfs/dbraw/zinc/66/35/49/1288663549.db2.gz RYGANCDULCIZQH-IRXDYDNUSA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104868 1288663553 /nfs/dbraw/zinc/66/35/53/1288663553.db2.gz RYGANCDULCIZQH-IRXDYDNUSA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104868 1288663556 /nfs/dbraw/zinc/66/35/56/1288663556.db2.gz RYGANCDULCIZQH-IRXDYDNUSA-N 1 3 360.462 0.727 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001691917384 1289341873 /nfs/dbraw/zinc/34/18/73/1289341873.db2.gz GTQHMDICAZEJKM-YESZJQIVSA-N 1 3 366.506 0.062 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691981596 1289358103 /nfs/dbraw/zinc/35/81/03/1289358103.db2.gz DFIHWDNQEHKGDS-HYVNUMGLSA-N 1 3 351.495 0.679 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)CC[N@@H+]1C ZINC001737390583 1289540256 /nfs/dbraw/zinc/54/02/56/1289540256.db2.gz BECAOCHSQKPDGS-BMFZPTHFSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)CC[N@H+]1C ZINC001737390583 1289540266 /nfs/dbraw/zinc/54/02/66/1289540266.db2.gz BECAOCHSQKPDGS-BMFZPTHFSA-N 1 3 350.507 0.822 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001739725611 1290396785 /nfs/dbraw/zinc/39/67/85/1290396785.db2.gz WFERHRCUCCTSNO-NVXWUHKLSA-N 1 3 359.474 0.888 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC001657081787 1291593479 /nfs/dbraw/zinc/59/34/79/1291593479.db2.gz QPBNQJMMCAIBLS-UHFFFAOYSA-N 1 3 355.504 0.825 20 0 FCADHO C[C@@H](CNCC(=O)Nc1nncs1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666553023 1291914014 /nfs/dbraw/zinc/91/40/14/1291914014.db2.gz NDTLOYUTXLZTKA-QJPTWQEYSA-N 1 3 354.480 0.159 20 0 FCADHO C[C@@H](CNCC(=O)Nc1nncs1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001666553023 1291914019 /nfs/dbraw/zinc/91/40/19/1291914019.db2.gz NDTLOYUTXLZTKA-QJPTWQEYSA-N 1 3 354.480 0.159 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001689034026 1294579372 /nfs/dbraw/zinc/57/93/72/1294579372.db2.gz IEMYIRQGKGLNIU-BPQIPLTHSA-N 1 3 363.506 0.682 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001689066861 1294589992 /nfs/dbraw/zinc/58/99/92/1294589992.db2.gz FYABQRDAWLRJIU-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001691837604 1294936399 /nfs/dbraw/zinc/93/63/99/1294936399.db2.gz ISVDUDRYKXHILI-KGLIPLIRSA-N 1 3 355.483 0.001 20 0 FCADHO c1ncc(O[C@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164744158 720729388 /nfs/dbraw/zinc/72/93/88/720729388.db2.gz RIGJFWRLKIUBIS-CABCVRRESA-N 1 3 353.430 0.254 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284855 844134122 /nfs/dbraw/zinc/13/41/22/844134122.db2.gz CGDONXQFDVGTCO-KHYOSLBOSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284855 844134127 /nfs/dbraw/zinc/13/41/27/844134127.db2.gz CGDONXQFDVGTCO-KHYOSLBOSA-N 1 3 352.523 0.974 20 0 FCADHO C(CN1CCC2(CC1)OCCO2)OCC[NH+]1CCC2(CC1)OCCO2 ZINC000749829691 836389122 /nfs/dbraw/zinc/38/91/22/836389122.db2.gz RVXZQAKGIJWBAO-UHFFFAOYSA-N 1 3 356.463 0.681 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621582 836701469 /nfs/dbraw/zinc/70/14/69/836701469.db2.gz ZEYHRJNALVSMNF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621582 836701474 /nfs/dbraw/zinc/70/14/74/836701474.db2.gz ZEYHRJNALVSMNF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621409 836701643 /nfs/dbraw/zinc/70/16/43/836701643.db2.gz VINBGUZDPZADDF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621409 836701644 /nfs/dbraw/zinc/70/16/44/836701644.db2.gz VINBGUZDPZADDF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061651189 836703455 /nfs/dbraw/zinc/70/34/55/836703455.db2.gz LFDGTXLHBZBPTR-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061651189 836703460 /nfs/dbraw/zinc/70/34/60/836703460.db2.gz LFDGTXLHBZBPTR-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476122 844200462 /nfs/dbraw/zinc/20/04/62/844200462.db2.gz CXBYDLOYBRPBIR-AOIWGVFYSA-N 1 3 353.507 0.650 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101476122 844200468 /nfs/dbraw/zinc/20/04/68/844200468.db2.gz CXBYDLOYBRPBIR-AOIWGVFYSA-N 1 3 353.507 0.650 20 0 FCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015160 838216072 /nfs/dbraw/zinc/21/60/72/838216072.db2.gz DREOHEDROGSSNA-TVFCKZIOSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015477 838216274 /nfs/dbraw/zinc/21/62/74/838216274.db2.gz YTFNBBPPFHGVFX-TVFCKZIOSA-N 1 3 353.507 0.551 20 0 FCADHO COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974889 844356505 /nfs/dbraw/zinc/35/65/05/844356505.db2.gz VKSLHSLRDLMROC-BRWVUGGUSA-N 1 3 355.523 0.942 20 0 FCADHO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974889 844356514 /nfs/dbraw/zinc/35/65/14/844356514.db2.gz VKSLHSLRDLMROC-BRWVUGGUSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1CN(CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318589 844466360 /nfs/dbraw/zinc/46/63/60/844466360.db2.gz ACVGYXZPYGGYSN-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320766 844466585 /nfs/dbraw/zinc/46/65/85/844466585.db2.gz RZNFWHGPYDJOCS-UKRRQHHQSA-N 1 3 354.520 0.854 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102427083 844495631 /nfs/dbraw/zinc/49/56/31/844495631.db2.gz AMAZFLNJDOPXFP-KZNAEPCWSA-N 1 3 355.523 0.942 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102427083 844495635 /nfs/dbraw/zinc/49/56/35/844495635.db2.gz AMAZFLNJDOPXFP-KZNAEPCWSA-N 1 3 355.523 0.942 20 0 FCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796530 840034833 /nfs/dbraw/zinc/03/48/33/840034833.db2.gz ZMCZZMNZNIUXLP-KZNAEPCWSA-N 1 3 351.491 0.855 20 0 FCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796530 840034841 /nfs/dbraw/zinc/03/48/41/840034841.db2.gz ZMCZZMNZNIUXLP-KZNAEPCWSA-N 1 3 351.491 0.855 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CCC1 ZINC001082096057 840183108 /nfs/dbraw/zinc/18/31/08/840183108.db2.gz WRNIIQSOUXPJRA-KZNAEPCWSA-N 1 3 353.507 0.959 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082447678 840414966 /nfs/dbraw/zinc/41/49/66/840414966.db2.gz JRMIUPSSEMKSLL-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082766627 840548193 /nfs/dbraw/zinc/54/81/93/840548193.db2.gz MXSFTGJMWGXGQU-IUODEOHRSA-N 1 3 354.476 0.214 20 0 FCADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082783551 840559065 /nfs/dbraw/zinc/55/90/65/840559065.db2.gz ALSLCBFYXHMOOG-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082923331 840603688 /nfs/dbraw/zinc/60/36/88/840603688.db2.gz DYUWSNZIMWZESR-UMVBOHGHSA-N 1 3 353.492 0.443 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274859 840856470 /nfs/dbraw/zinc/85/64/70/840856470.db2.gz CVTUSUPFFXNRFQ-FGTMMUONSA-N 1 3 351.491 0.666 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274859 840856483 /nfs/dbraw/zinc/85/64/83/840856483.db2.gz CVTUSUPFFXNRFQ-FGTMMUONSA-N 1 3 351.491 0.666 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466249 841037348 /nfs/dbraw/zinc/03/73/48/841037348.db2.gz MNLVBHSEVHOXCS-KSZLIROESA-N 1 3 351.491 0.306 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC1 ZINC001083469948 841042713 /nfs/dbraw/zinc/04/27/13/841042713.db2.gz RUKKDACANIOJNE-BDXSIMOUSA-N 1 3 351.491 0.305 20 0 FCADHO O=C(N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560164 841170323 /nfs/dbraw/zinc/17/03/23/841170323.db2.gz UDVCIDQVXAXCPI-BBWFWOEESA-N 1 3 351.491 0.450 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602270 841222341 /nfs/dbraw/zinc/22/23/41/841222341.db2.gz MEYDPACCOJSOKF-BACDZXNISA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083669203 841293419 /nfs/dbraw/zinc/29/34/19/841293419.db2.gz XYHAGHHJVXKEQG-SQNIBIBYSA-N 1 3 351.491 0.449 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083669203 841293428 /nfs/dbraw/zinc/29/34/28/841293428.db2.gz XYHAGHHJVXKEQG-SQNIBIBYSA-N 1 3 351.491 0.449 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCCC1 ZINC001083959557 841604711 /nfs/dbraw/zinc/60/47/11/841604711.db2.gz YPWNVNRMYVPNMI-IXDOHACOSA-N 1 3 351.491 0.449 20 0 FCADHO CC(=O)[C@H](C)N1C[C@@]2(CCN(CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833369 861219239 /nfs/dbraw/zinc/21/92/39/861219239.db2.gz CIULDASTJJPPSJ-KXBFYZLASA-N 1 3 351.491 0.999 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001087087918 842281090 /nfs/dbraw/zinc/28/10/90/842281090.db2.gz BFOBJGWLUUUAKQ-BFYDXBDKSA-N 1 3 350.463 0.832 20 0 FCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001087219801 842320233 /nfs/dbraw/zinc/32/02/33/842320233.db2.gz PBUDWQAGXPILSB-FMKPAKJESA-N 1 3 368.503 0.604 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001088047301 842516901 /nfs/dbraw/zinc/51/69/01/842516901.db2.gz QUIUZPPHARUFGB-ASLPWWTFSA-N 1 3 351.466 0.990 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001088047301 842516905 /nfs/dbraw/zinc/51/69/05/842516905.db2.gz QUIUZPPHARUFGB-ASLPWWTFSA-N 1 3 351.466 0.990 20 0 FCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064569 842521686 /nfs/dbraw/zinc/52/16/86/842521686.db2.gz KXHOIQRWQBOWCV-OWCLPIDISA-N 1 3 350.507 0.905 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092604663 843248698 /nfs/dbraw/zinc/24/86/98/843248698.db2.gz OJYQQWDEWAADRB-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092604663 843248708 /nfs/dbraw/zinc/24/87/08/843248708.db2.gz OJYQQWDEWAADRB-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092658266 843269193 /nfs/dbraw/zinc/26/91/93/843269193.db2.gz NPFQVXJRRRAOJF-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092658266 843269200 /nfs/dbraw/zinc/26/92/00/843269200.db2.gz NPFQVXJRRRAOJF-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907221 843336858 /nfs/dbraw/zinc/33/68/58/843336858.db2.gz YSGRDOLUUVQFGJ-IXDOHACOSA-N 1 3 352.523 0.881 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907221 843336867 /nfs/dbraw/zinc/33/68/67/843336867.db2.gz YSGRDOLUUVQFGJ-IXDOHACOSA-N 1 3 352.523 0.881 20 0 FCADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCC(C)CC2)C1 ZINC001099093005 843961603 /nfs/dbraw/zinc/96/16/03/843961603.db2.gz RPTXQHJTNOFAQS-GJYPPUQNSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCC(C)CC2)C1 ZINC001099093005 843961604 /nfs/dbraw/zinc/96/16/04/843961604.db2.gz RPTXQHJTNOFAQS-GJYPPUQNSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090038 844698633 /nfs/dbraw/zinc/69/86/33/844698633.db2.gz JUMHMTXUDQQINC-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090038 844698637 /nfs/dbraw/zinc/69/86/37/844698637.db2.gz JUMHMTXUDQQINC-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087935 844699141 /nfs/dbraw/zinc/69/91/41/844699141.db2.gz QDIGDUZVCZMUGN-KYJSFNMBSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087935 844699148 /nfs/dbraw/zinc/69/91/48/844699148.db2.gz QDIGDUZVCZMUGN-KYJSFNMBSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)N(C)C ZINC001103111978 844702963 /nfs/dbraw/zinc/70/29/63/844702963.db2.gz YMCBEZUGQWEXSG-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)N(C)C ZINC001103111978 844702972 /nfs/dbraw/zinc/70/29/72/844702972.db2.gz YMCBEZUGQWEXSG-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001103359278 844743228 /nfs/dbraw/zinc/74/32/28/844743228.db2.gz SBUJMYXVBJABDU-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001103359278 844743238 /nfs/dbraw/zinc/74/32/38/844743238.db2.gz SBUJMYXVBJABDU-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C ZINC001103612387 844787568 /nfs/dbraw/zinc/78/75/68/844787568.db2.gz AXSWCQKNCYNMLY-HZPDHXFCSA-N 1 3 361.552 0.837 20 0 FCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C ZINC001103612387 844787566 /nfs/dbraw/zinc/78/75/66/844787566.db2.gz AXSWCQKNCYNMLY-HZPDHXFCSA-N 1 3 361.552 0.837 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104000103 844852347 /nfs/dbraw/zinc/85/23/47/844852347.db2.gz VRPGMEHMWPOHEH-DJIMGWMZSA-N 1 3 350.507 0.681 20 0 FCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682998 844932178 /nfs/dbraw/zinc/93/21/78/844932178.db2.gz FLAIJTNSITYUIK-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683910 844932338 /nfs/dbraw/zinc/93/23/38/844932338.db2.gz TZFQYIAVNGHFBZ-HZPDHXFCSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105669052 845015984 /nfs/dbraw/zinc/01/59/84/845015984.db2.gz PBTJNKCYGGAGRU-FPAYPSAMSA-N 1 3 355.523 0.941 20 0 FCADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1=O ZINC001276678393 861531346 /nfs/dbraw/zinc/53/13/46/861531346.db2.gz MFAVBCYQMKZNDH-GOSISDBHSA-N 1 3 350.463 0.012 20 0 FCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250068 845143126 /nfs/dbraw/zinc/14/31/26/845143126.db2.gz XPFNJGLDKQXLCF-KYJSFNMBSA-N 1 3 352.523 0.878 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106256077 845144384 /nfs/dbraw/zinc/14/43/84/845144384.db2.gz WTSNDCGRCOWHDP-HZPDHXFCSA-N 1 3 352.523 0.927 20 0 FCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453754 845177203 /nfs/dbraw/zinc/17/72/03/845177203.db2.gz VKHAPTPERYRIQF-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666677 845219900 /nfs/dbraw/zinc/21/99/00/845219900.db2.gz QDFUOBRZJDXROX-GVDBMIGSSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106667904 845220791 /nfs/dbraw/zinc/22/07/91/845220791.db2.gz BOMWJIDWUUEBAB-HUUCEWRRSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106797574 845255426 /nfs/dbraw/zinc/25/54/26/845255426.db2.gz QJFJMYUTIJENKC-HZPDHXFCSA-N 1 3 359.536 0.447 20 0 FCADHO COc1cc(CNC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)on1 ZINC001106880416 845277350 /nfs/dbraw/zinc/27/73/50/845277350.db2.gz IZTUCNUDCPCQED-ZIAGYGMSSA-N 1 3 354.451 0.446 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106910692 845285155 /nfs/dbraw/zinc/28/51/55/845285155.db2.gz KCTGIWXTUMYNEO-CHWSQXEVSA-N 1 3 368.507 0.503 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001107040481 845316852 /nfs/dbraw/zinc/31/68/52/845316852.db2.gz GCOJCEVSQUWRMA-BZUAXINKSA-N 1 3 359.536 0.445 20 0 FCADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C1CC1 ZINC001107438793 845372588 /nfs/dbraw/zinc/37/25/88/845372588.db2.gz JAILNLHMYNIMPM-ZIFCJYIRSA-N 1 3 353.507 0.696 20 0 FCADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C1CC1 ZINC001107438793 845372603 /nfs/dbraw/zinc/37/26/03/845372603.db2.gz JAILNLHMYNIMPM-ZIFCJYIRSA-N 1 3 353.507 0.696 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436825 845372946 /nfs/dbraw/zinc/37/29/46/845372946.db2.gz SEJNIGAAZMXWLM-JFIYKMOQSA-N 1 3 353.507 0.839 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436825 845372955 /nfs/dbraw/zinc/37/29/55/845372955.db2.gz SEJNIGAAZMXWLM-JFIYKMOQSA-N 1 3 353.507 0.839 20 0 FCADHO CCN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632083 845412193 /nfs/dbraw/zinc/41/21/93/845412193.db2.gz PTGKJUNRPYZAIX-FRQCXROJSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107632083 845412198 /nfs/dbraw/zinc/41/21/98/845412198.db2.gz PTGKJUNRPYZAIX-FRQCXROJSA-N 1 3 350.507 0.777 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442872 845654370 /nfs/dbraw/zinc/65/43/70/845654370.db2.gz KKTMXAYODPXONG-QZWWFDLISA-N 1 3 351.491 0.591 20 0 FCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902550 845757181 /nfs/dbraw/zinc/75/71/81/845757181.db2.gz PMGKXXFVNMUJAR-MVJTYMMSSA-N 1 3 353.507 0.980 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001111233802 846065948 /nfs/dbraw/zinc/06/59/48/846065948.db2.gz WQQPJKADWCCMBU-TWMKSMIVSA-N 1 3 357.495 0.074 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001111233802 846065955 /nfs/dbraw/zinc/06/59/55/846065955.db2.gz WQQPJKADWCCMBU-TWMKSMIVSA-N 1 3 357.495 0.074 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001111233804 846066828 /nfs/dbraw/zinc/06/68/28/846066828.db2.gz WQQPJKADWCCMBU-VQHPVUNQSA-N 1 3 357.495 0.074 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001111233804 846066831 /nfs/dbraw/zinc/06/68/31/846066831.db2.gz WQQPJKADWCCMBU-VQHPVUNQSA-N 1 3 357.495 0.074 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873315 846239005 /nfs/dbraw/zinc/23/90/05/846239005.db2.gz VEZKJJAHBYAQDZ-DOXZYTNZSA-N 1 3 350.507 0.824 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873315 846239015 /nfs/dbraw/zinc/23/90/15/846239015.db2.gz VEZKJJAHBYAQDZ-DOXZYTNZSA-N 1 3 350.507 0.824 20 0 FCADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154726 846422089 /nfs/dbraw/zinc/42/20/89/846422089.db2.gz YWEJWOHLLOGFCP-YNEHKIRRSA-N 1 3 367.412 0.314 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112193343 846452712 /nfs/dbraw/zinc/45/27/12/846452712.db2.gz WCYOQTKKFXQKEC-BFHYXJOUSA-N 1 3 367.412 0.316 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112193343 846452716 /nfs/dbraw/zinc/45/27/16/846452716.db2.gz WCYOQTKKFXQKEC-BFHYXJOUSA-N 1 3 367.412 0.316 20 0 FCADHO CO[C@@H](C)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193990 846453067 /nfs/dbraw/zinc/45/30/67/846453067.db2.gz GTSMAFZMRPIJEH-YNEHKIRRSA-N 1 3 355.401 0.578 20 0 FCADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112349979 846495693 /nfs/dbraw/zinc/49/56/93/846495693.db2.gz CNQZHMPJLZHCDT-FCEWJHQRSA-N 1 3 350.507 0.824 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399404 846500600 /nfs/dbraw/zinc/50/06/00/846500600.db2.gz SFYABRTZKWJRBE-WDYCEAGBSA-N 1 3 350.507 0.681 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)CCC1 ZINC001112396921 846500634 /nfs/dbraw/zinc/50/06/34/846500634.db2.gz KGRMBGMCLUJHKP-WMZOPIPTSA-N 1 3 353.507 0.698 20 0 FCADHO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396931 846501204 /nfs/dbraw/zinc/50/12/04/846501204.db2.gz KUDBIBQTYLETIR-JZXOWHBKSA-N 1 3 353.507 0.696 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001112531364 846516229 /nfs/dbraw/zinc/51/62/29/846516229.db2.gz UCQUYHLQQQZQRV-BXWFABGCSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001112531341 846516389 /nfs/dbraw/zinc/51/63/89/846516389.db2.gz RTTCWKWZPPMXMS-QOKNQOGYSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001116169890 846621415 /nfs/dbraw/zinc/62/14/15/846621415.db2.gz WVMGWQGTXCGNHE-QGZVFWFLSA-N 1 3 352.523 0.631 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001117122036 846898643 /nfs/dbraw/zinc/89/86/43/846898643.db2.gz FNRADXBEGDAOKX-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001117122036 846898651 /nfs/dbraw/zinc/89/86/51/846898651.db2.gz FNRADXBEGDAOKX-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)CCO2 ZINC001118123440 847290097 /nfs/dbraw/zinc/29/00/97/847290097.db2.gz KSLIPDVRQWKABY-HZPDHXFCSA-N 1 3 352.479 0.356 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001119352878 847820135 /nfs/dbraw/zinc/82/01/35/847820135.db2.gz FYIQYJQWXGFZFS-HUUCEWRRSA-N 1 3 368.547 0.802 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556241 848240511 /nfs/dbraw/zinc/24/05/11/848240511.db2.gz RWYZUNZGEDLKSB-JKSUJKDBSA-N 1 3 352.479 0.404 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001120602490 848251282 /nfs/dbraw/zinc/25/12/82/848251282.db2.gz HTDZMNFPIZPMBG-IRXDYDNUSA-N 1 3 353.438 0.628 20 0 FCADHO CSCC[C@H]([NH3+])CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001122213254 848467456 /nfs/dbraw/zinc/46/74/56/848467456.db2.gz CTBPOLVFCOFMGB-AWEZNQCLSA-N 1 3 356.536 0.789 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659806 848731322 /nfs/dbraw/zinc/73/13/22/848731322.db2.gz LUPIRAAZQSZMMI-UMVBOHGHSA-N 1 3 352.504 0.799 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1cccs1 ZINC001127659806 848731326 /nfs/dbraw/zinc/73/13/26/848731326.db2.gz LUPIRAAZQSZMMI-UMVBOHGHSA-N 1 3 352.504 0.799 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@H](C)c2ccco2)CC[N@@H+]1C ZINC001127701049 848733206 /nfs/dbraw/zinc/73/32/06/848733206.db2.gz GDMUGKGPLYZJPD-QLFBSQMISA-N 1 3 350.463 0.893 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@H](C)c2ccco2)CC[N@H+]1C ZINC001127701049 848733210 /nfs/dbraw/zinc/73/32/10/848733210.db2.gz GDMUGKGPLYZJPD-QLFBSQMISA-N 1 3 350.463 0.893 20 0 FCADHO CC(C)CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384778 848838046 /nfs/dbraw/zinc/83/80/46/848838046.db2.gz AWCOOEGLOJSXMY-CVEARBPZSA-N 1 3 352.483 0.244 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894936 848909540 /nfs/dbraw/zinc/90/95/40/848909540.db2.gz YZDXUXOCBSXNBC-ZNMIVQPWSA-N 1 3 350.467 0.139 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129994443 848927895 /nfs/dbraw/zinc/92/78/95/848927895.db2.gz OINDYQUFEKYWBM-CABCVRRESA-N 1 3 363.491 0.271 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130014237 848930682 /nfs/dbraw/zinc/93/06/82/848930682.db2.gz FXJWUMBRAYZJLU-XHSDSOJGSA-N 1 3 350.467 0.140 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094419 848943279 /nfs/dbraw/zinc/94/32/79/848943279.db2.gz KETJTGNWLLXRNP-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001130698391 849027651 /nfs/dbraw/zinc/02/76/51/849027651.db2.gz KYLJMSWQMHAJSU-YQQAZPJKSA-N 1 3 351.495 0.681 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCC)C1 ZINC001130719395 849029157 /nfs/dbraw/zinc/02/91/57/849029157.db2.gz NKXJSLVHQJNLMW-DOTOQJQBSA-N 1 3 351.495 0.682 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131064603 849076054 /nfs/dbraw/zinc/07/60/54/849076054.db2.gz NRURKXLNTXVDDV-BFYDXBDKSA-N 1 3 351.495 0.537 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001131115166 849080528 /nfs/dbraw/zinc/08/05/28/849080528.db2.gz AXATZJJDBWCGQM-ARFHVFGLSA-N 1 3 351.495 0.681 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131596957 849128669 /nfs/dbraw/zinc/12/86/69/849128669.db2.gz CSCOHFZOLQQPNA-UNEWFSDZSA-N 1 3 354.495 0.188 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131608434 849130492 /nfs/dbraw/zinc/13/04/92/849130492.db2.gz ANUAPBOEGRHLRM-LXZKKBNFSA-N 1 3 354.495 0.186 20 0 FCADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)no1 ZINC001143140270 849476862 /nfs/dbraw/zinc/47/68/62/849476862.db2.gz LLSLBNBNRAKCND-ZDUSSCGKSA-N 1 3 352.435 0.949 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)C[C@H]1C[NH+](C)C ZINC001151536744 849689806 /nfs/dbraw/zinc/68/98/06/849689806.db2.gz XZYNCPMWWLJMTD-ZIAGYGMSSA-N 1 3 357.476 0.495 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157522744 849977311 /nfs/dbraw/zinc/97/73/11/849977311.db2.gz YLZDAOGYOIWHQP-JTQLQIEISA-N 1 3 358.368 0.513 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157522744 849977321 /nfs/dbraw/zinc/97/73/21/849977321.db2.gz YLZDAOGYOIWHQP-JTQLQIEISA-N 1 3 358.368 0.513 20 0 FCADHO O=C(N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157923548 850004584 /nfs/dbraw/zinc/00/45/84/850004584.db2.gz FFCHDQXHZVXSQX-OXHZDVMGSA-N 1 3 353.360 0.439 20 0 FCADHO CN(C)CC(C)(C)CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157939948 850007137 /nfs/dbraw/zinc/00/71/37/850007137.db2.gz BSBBZJAIGFVXGD-UHFFFAOYSA-N 1 3 355.508 0.568 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250511 850029146 /nfs/dbraw/zinc/02/91/46/850029146.db2.gz UMJRBQYACGLWMD-XMWNIVNYSA-N 1 3 355.426 0.758 20 0 FCADHO Cc1cc(NC(=O)[C@H](C)NCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001158389378 850045375 /nfs/dbraw/zinc/04/53/75/850045375.db2.gz BTUINILINVCCQN-BFHYXJOUSA-N 1 3 351.451 0.746 20 0 FCADHO Cc1cc(NC(=O)[C@H](C)NCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001158389378 850045383 /nfs/dbraw/zinc/04/53/83/850045383.db2.gz BTUINILINVCCQN-BFHYXJOUSA-N 1 3 351.451 0.746 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1 ZINC001158495679 850055946 /nfs/dbraw/zinc/05/59/46/850055946.db2.gz CQNZRKLMBJHSAB-IEECTRCBSA-N 1 3 363.380 0.669 20 0 FCADHO CCOC(=O)CCN(Cc1ccccc1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001158582427 850061558 /nfs/dbraw/zinc/06/15/58/850061558.db2.gz NNZQKXGXIIZCMS-HNNXBMFYSA-N 1 3 353.488 0.988 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001158600751 850062004 /nfs/dbraw/zinc/06/20/04/850062004.db2.gz HDTMCIVXDJDIEN-ZDUSSCGKSA-N 1 3 363.487 0.925 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159029913 850093035 /nfs/dbraw/zinc/09/30/35/850093035.db2.gz MXTPBAXIPVJXFW-INIZCTEOSA-N 1 3 350.463 0.539 20 0 FCADHO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@@H](N)CCC[NH3+])C2)O1 ZINC001160228077 850159020 /nfs/dbraw/zinc/15/90/20/850159020.db2.gz NTDBEXRGUDMAPL-RLFYNMQTSA-N 1 3 354.495 0.365 20 0 FCADHO CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H](N)CCC[NH3+])n1 ZINC001160325424 850165893 /nfs/dbraw/zinc/16/58/93/850165893.db2.gz JPYPTENMDVRAFA-UONOGXRCSA-N 1 3 350.467 0.289 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001160548347 850180829 /nfs/dbraw/zinc/18/08/29/850180829.db2.gz GBHJSCZNQXIBPQ-JTQLQIEISA-N 1 3 359.352 0.603 20 0 FCADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160786756 850198177 /nfs/dbraw/zinc/19/81/77/850198177.db2.gz HYFHIYXZRRRAEP-SWLSCSKDSA-N 1 3 351.451 0.458 20 0 FCADHO O=C([C@H]1CNCCN1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152169 850234875 /nfs/dbraw/zinc/23/48/75/850234875.db2.gz AEEIIEFYFFHYCU-LLVKDONJSA-N 1 3 358.368 0.142 20 0 FCADHO CC1(C)N(C(=O)[C@@H](N)CSCC[NH3+])CC[C@@]12c1ccccc1OC2=O ZINC001161162612 850236258 /nfs/dbraw/zinc/23/62/58/850236258.db2.gz FMFVCBOCEDAMPM-UGSOOPFHSA-N 1 3 363.483 0.874 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161378858 850255966 /nfs/dbraw/zinc/25/59/66/850255966.db2.gz AGRYAWLDJQDLLP-GJZGRUSLSA-N 1 3 355.479 0.629 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376751 850256244 /nfs/dbraw/zinc/25/62/44/850256244.db2.gz CUEZOXHEGSBPKI-CABCVRRESA-N 1 3 354.495 0.330 20 0 FCADHO CN[C@H](C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479638 850262086 /nfs/dbraw/zinc/26/20/86/850262086.db2.gz QFSROTBERLRTHM-ZUMXRPEOSA-N 1 3 355.479 0.532 20 0 FCADHO N[C@@H](C(=O)N1CC[C@@H](n2cc(Br)cn2)C1)C1CC[NH2+]CC1 ZINC001161520486 850265892 /nfs/dbraw/zinc/26/58/92/850265892.db2.gz OXPWLWNQGGIPJE-CHWSQXEVSA-N 1 3 356.268 0.746 20 0 FCADHO O=C(N1CCn2ncc(Br)c2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161525974 850267825 /nfs/dbraw/zinc/26/78/25/850267825.db2.gz HDWGVBSRHDRDBD-QMTHXVAHSA-N 1 3 354.252 0.187 20 0 FCADHO CNC(=O)CN1CCCC12CC[NH+](C1C[C@@H]3COC[C@H](C1)N3C)CC2 ZINC001172136769 850705526 /nfs/dbraw/zinc/70/55/26/850705526.db2.gz MZRIYIUIKRKRAG-ALOPSCKCSA-N 1 3 350.507 0.524 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC001181976586 851143524 /nfs/dbraw/zinc/14/35/24/851143524.db2.gz XLQQCPRQSFLGHH-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001181976586 851143529 /nfs/dbraw/zinc/14/35/29/851143529.db2.gz XLQQCPRQSFLGHH-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO Cn1ncc(I)c1C(=O)N(CCCC[NH3+])C(=N)N ZINC001188473379 851695418 /nfs/dbraw/zinc/69/54/18/851695418.db2.gz PQCWQVQBWYNULT-UHFFFAOYSA-N 1 3 364.191 0.099 20 0 FCADHO COCCCCN1C[C@@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001278276299 862288111 /nfs/dbraw/zinc/28/81/11/862288111.db2.gz HOZRTHAVVQJOLH-FGTMMUONSA-N 1 3 351.491 0.809 20 0 FCADHO CC(=O)NCCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237410 851881272 /nfs/dbraw/zinc/88/12/72/851881272.db2.gz BLWMCJWKSCUFSK-DJIMGWMZSA-N 1 3 354.495 0.012 20 0 FCADHO CC(=O)NCCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237410 851881275 /nfs/dbraw/zinc/88/12/75/851881275.db2.gz BLWMCJWKSCUFSK-DJIMGWMZSA-N 1 3 354.495 0.012 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001194832942 852658850 /nfs/dbraw/zinc/65/88/50/852658850.db2.gz WTARIEISJXOMLI-YLADIXGZSA-N 1 3 355.454 0.151 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001194832942 852658854 /nfs/dbraw/zinc/65/88/54/852658854.db2.gz WTARIEISJXOMLI-YLADIXGZSA-N 1 3 355.454 0.151 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001195677228 852811650 /nfs/dbraw/zinc/81/16/50/852811650.db2.gz OQRQCNWHUVQVKD-BRWVUGGUSA-N 1 3 353.507 0.695 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCCC2(F)F)C[C@H]1O ZINC001197826221 853168609 /nfs/dbraw/zinc/16/86/09/853168609.db2.gz RDGHIMDXSQJNIL-RRFJBIMHSA-N 1 3 363.449 0.551 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205519627 853619966 /nfs/dbraw/zinc/61/99/66/853619966.db2.gz XZVBKNVHZAYZRZ-DLBZAZTESA-N 1 3 353.507 0.648 20 0 FCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682346 853841059 /nfs/dbraw/zinc/84/10/59/853841059.db2.gz LAHHCBTZASPXIC-IAGOWNOFSA-N 1 3 353.507 0.962 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@@H]1CCC=CO1)CC2 ZINC001208885669 853979698 /nfs/dbraw/zinc/97/96/98/853979698.db2.gz VWXSDILHWVIFRR-KRWDZBQOSA-N 1 3 350.507 0.849 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC1(N(C)C)CC1 ZINC001209013061 853988670 /nfs/dbraw/zinc/98/86/70/853988670.db2.gz NGADQYHYYLEACB-INIZCTEOSA-N 1 3 360.568 0.758 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC1(N(C)C)CC1 ZINC001209013061 853988676 /nfs/dbraw/zinc/98/86/76/853988676.db2.gz NGADQYHYYLEACB-INIZCTEOSA-N 1 3 360.568 0.758 20 0 FCADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179745 854087850 /nfs/dbraw/zinc/08/78/50/854087850.db2.gz QXFICZHAQHGNHX-ZTFGCOKTSA-N 1 3 353.507 0.552 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298276 854097163 /nfs/dbraw/zinc/09/71/63/854097163.db2.gz NLLCOBYNODKYHL-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CC(C)COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298914 854098310 /nfs/dbraw/zinc/09/83/10/854098310.db2.gz UETLZEAFYYVNAF-BRWVUGGUSA-N 1 3 359.511 0.035 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636029 854984022 /nfs/dbraw/zinc/98/40/22/854984022.db2.gz AQWIVUFRHHVNHI-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636029 854984025 /nfs/dbraw/zinc/98/40/25/854984025.db2.gz AQWIVUFRHHVNHI-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646303 854985710 /nfs/dbraw/zinc/98/57/10/854985710.db2.gz PBIXHDLBSNPGDH-HYVNUMGLSA-N 1 3 350.507 0.681 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001214754918 855002633 /nfs/dbraw/zinc/00/26/33/855002633.db2.gz LIPNUNLFYRLSGF-OWCLPIDISA-N 1 3 356.486 0.725 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214855659 855023345 /nfs/dbraw/zinc/02/33/45/855023345.db2.gz JXQHDJHVFFFRCK-MZMPZRCHSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058207 855060342 /nfs/dbraw/zinc/06/03/42/855060342.db2.gz FFFWYHISVDPEHC-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215217624 855081998 /nfs/dbraw/zinc/08/19/98/855081998.db2.gz PJQCACSFECVKCR-KYJSFNMBSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001215234462 855087533 /nfs/dbraw/zinc/08/75/33/855087533.db2.gz WMOQYEPYTBJAOO-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215381375 855106995 /nfs/dbraw/zinc/10/69/95/855106995.db2.gz VCECAWXRJCBEIM-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215381375 855107000 /nfs/dbraw/zinc/10/70/00/855107000.db2.gz VCECAWXRJCBEIM-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423847 855112855 /nfs/dbraw/zinc/11/28/55/855112855.db2.gz VKBMEBSLODKIRJ-OWCLPIDISA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215421630 855113168 /nfs/dbraw/zinc/11/31/68/855113168.db2.gz JXWXGTVZUGNNCO-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229931 855181775 /nfs/dbraw/zinc/18/17/75/855181775.db2.gz SKUOYAPUKQAKTE-JHJVBQTASA-N 1 3 366.428 0.832 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229931 855181786 /nfs/dbraw/zinc/18/17/86/855181786.db2.gz SKUOYAPUKQAKTE-JHJVBQTASA-N 1 3 366.428 0.832 20 0 FCADHO CC(C)[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405177 855199340 /nfs/dbraw/zinc/19/93/40/855199340.db2.gz HEOAIZVBVYKBJQ-OWCLPIDISA-N 1 3 350.507 0.679 20 0 FCADHO CCC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410158 855199945 /nfs/dbraw/zinc/19/99/45/855199945.db2.gz RKVHYCLOPLBCJA-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216464890 855205615 /nfs/dbraw/zinc/20/56/15/855205615.db2.gz VEXBDSCBOWRECE-CHWSQXEVSA-N 1 3 366.428 0.833 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216851820 855259640 /nfs/dbraw/zinc/25/96/40/855259640.db2.gz JBPZDLGFLYMPTB-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853887 855261007 /nfs/dbraw/zinc/26/10/07/855261007.db2.gz NUOMEZCGSKDNGW-OWCLPIDISA-N 1 3 356.511 0.304 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217950326 855385017 /nfs/dbraw/zinc/38/50/17/855385017.db2.gz YROJHOFDACJRSV-ZJUUUORDSA-N 1 3 356.398 0.230 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001218133978 855399214 /nfs/dbraw/zinc/39/92/14/855399214.db2.gz GHTBQXSZSKSSSH-JGPRNRPPSA-N 1 3 350.419 0.138 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[N@H+](C)CC1 ZINC001218212311 855407199 /nfs/dbraw/zinc/40/71/99/855407199.db2.gz WVRCCVVGJNZXCI-NSHDSACASA-N 1 3 352.435 0.624 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001218212311 855407200 /nfs/dbraw/zinc/40/72/00/855407200.db2.gz WVRCCVVGJNZXCI-NSHDSACASA-N 1 3 352.435 0.624 20 0 FCADHO CN(C)c1ccncc1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218563951 855440835 /nfs/dbraw/zinc/44/08/35/855440835.db2.gz VBPDJBCWJWMIFV-LBPRGKRZSA-N 1 3 352.460 0.501 20 0 FCADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncc(O)cc1Br ZINC001218701949 855466248 /nfs/dbraw/zinc/46/62/48/855466248.db2.gz LEUZSFLIWXLYFH-NSHDSACASA-N 1 3 358.240 0.239 20 0 FCADHO O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218697716 855466486 /nfs/dbraw/zinc/46/64/86/855466486.db2.gz BWFAJPTTYMGODS-GFCCVEGCSA-N 1 3 351.838 0.319 20 0 FCADHO CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218894404 855492639 /nfs/dbraw/zinc/49/26/39/855492639.db2.gz PIXHONVEZYMQEZ-HNNXBMFYSA-N 1 3 354.476 0.639 20 0 FCADHO CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218894400 855493097 /nfs/dbraw/zinc/49/30/97/855493097.db2.gz PAAMLKOKPHQGHQ-CXAGYDPISA-N 1 3 366.487 0.511 20 0 FCADHO COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218927579 855497780 /nfs/dbraw/zinc/49/77/80/855497780.db2.gz IXGIAGMGZSVZQF-JTQLQIEISA-N 1 3 351.382 0.894 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC001218962419 855503472 /nfs/dbraw/zinc/50/34/72/855503472.db2.gz MFSUMKZOBLTHNM-SECBINFHSA-N 1 3 355.247 0.646 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218982947 855506575 /nfs/dbraw/zinc/50/65/75/855506575.db2.gz GUCTVCIZJVNWJZ-HNNXBMFYSA-N 1 3 354.476 0.617 20 0 FCADHO COc1ccc(Br)c(NC(=O)[C@@H](N)CCCC[NH3+])c1C(N)=O ZINC001219079132 855540367 /nfs/dbraw/zinc/54/03/67/855540367.db2.gz VIQCDVYEOGIPKQ-VIFPVBQESA-N 1 3 373.251 0.951 20 0 FCADHO O=C(Nc1ccc(Br)c2c1C(=O)NC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219444708 855673008 /nfs/dbraw/zinc/67/30/08/855673008.db2.gz ZMGNJBZQANROLJ-VIFPVBQESA-N 1 3 365.231 0.440 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903251 855871866 /nfs/dbraw/zinc/87/18/66/855871866.db2.gz WNAIPDXGMIJNRN-IKGGRYGDSA-N 1 3 355.523 0.819 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903251 855871872 /nfs/dbraw/zinc/87/18/72/855871872.db2.gz WNAIPDXGMIJNRN-IKGGRYGDSA-N 1 3 355.523 0.819 20 0 FCADHO CC(C)(C)OC(=O)C1(NC(=O)[C@H](N)Cc2c[nH]cn2)CCC([NH3+])CC1 ZINC001220039840 855929650 /nfs/dbraw/zinc/92/96/50/855929650.db2.gz VNHRWJZJUPYLQG-OFKYTCTHSA-N 1 3 351.451 0.378 20 0 FCADHO CC(C)(C)OC(=O)C1(NC(=O)[C@H](N)Cc2cnc[nH]2)CCC([NH3+])CC1 ZINC001220039840 855929652 /nfs/dbraw/zinc/92/96/52/855929652.db2.gz VNHRWJZJUPYLQG-OFKYTCTHSA-N 1 3 351.451 0.378 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001220230695 856023082 /nfs/dbraw/zinc/02/30/82/856023082.db2.gz OQRQCNWHUVQVKD-IKGGRYGDSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)O1 ZINC001220481553 856147569 /nfs/dbraw/zinc/14/75/69/856147569.db2.gz KIEOKPAFEKGUCO-BRXULGCHSA-N 1 3 359.467 0.277 20 0 FCADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220605713 856203033 /nfs/dbraw/zinc/20/30/33/856203033.db2.gz WLXGYSPTUZOLOF-CHWSQXEVSA-N 1 3 352.236 0.858 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCOc1ccccc1C(N)=O ZINC001220719040 856260588 /nfs/dbraw/zinc/26/05/88/856260588.db2.gz PRVHTSOWQPDZMY-HNNXBMFYSA-N 1 3 350.463 0.776 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)CC(C)(C)CC[NH3+] ZINC001220766347 856288405 /nfs/dbraw/zinc/28/84/05/856288405.db2.gz QNRMSXJJXGRCFZ-RDBSUJKOSA-N 1 3 356.511 0.815 20 0 FCADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220772199 856292043 /nfs/dbraw/zinc/29/20/43/856292043.db2.gz KMSZJLTWMXIYBS-GJZGRUSLSA-N 1 3 353.467 0.116 20 0 FCADHO C[C@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001220898560 856363275 /nfs/dbraw/zinc/36/32/75/856363275.db2.gz NOKHUHUAQIDSPP-RDJZCZTQSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001221056095 856438869 /nfs/dbraw/zinc/43/88/69/856438869.db2.gz DQRAPCXVEPXNCL-JKQORVJESA-N 1 3 354.495 0.236 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221081202 856452920 /nfs/dbraw/zinc/45/29/20/856452920.db2.gz FUNKJSLFLUDCRK-KURKYZTESA-N 1 3 353.507 0.840 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001221155095 856488181 /nfs/dbraw/zinc/48/81/81/856488181.db2.gz ZPXMHNKZOQYING-KSZLIROESA-N 1 3 353.507 0.840 20 0 FCADHO CN[C@@H](C)C(=O)N(CCC[C@H](N)C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341001 856552665 /nfs/dbraw/zinc/55/26/65/856552665.db2.gz LATJREMAZGGHSQ-JSGCOSHPSA-N 1 3 365.503 0.884 20 0 FCADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520819 856847906 /nfs/dbraw/zinc/84/79/06/856847906.db2.gz KUEKHJGOJFMMDR-SFHVURJKSA-N 1 3 352.479 0.703 20 0 FCADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520819 856847911 /nfs/dbraw/zinc/84/79/11/856847911.db2.gz KUEKHJGOJFMMDR-SFHVURJKSA-N 1 3 352.479 0.703 20 0 FCADHO CC(C)(C)OC(=O)NCCCCN1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520819 856847917 /nfs/dbraw/zinc/84/79/17/856847917.db2.gz KUEKHJGOJFMMDR-SFHVURJKSA-N 1 3 352.479 0.703 20 0 FCADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520818 856848156 /nfs/dbraw/zinc/84/81/56/856848156.db2.gz KUEKHJGOJFMMDR-GOSISDBHSA-N 1 3 352.479 0.703 20 0 FCADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520818 856848161 /nfs/dbraw/zinc/84/81/61/856848161.db2.gz KUEKHJGOJFMMDR-GOSISDBHSA-N 1 3 352.479 0.703 20 0 FCADHO CC(C)(C)OC(=O)NCCCCN1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520818 856848168 /nfs/dbraw/zinc/84/81/68/856848168.db2.gz KUEKHJGOJFMMDR-GOSISDBHSA-N 1 3 352.479 0.703 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001226564976 857109564 /nfs/dbraw/zinc/10/95/64/857109564.db2.gz RVXPMNKGJYYHTE-ARFHVFGLSA-N 1 3 356.486 0.962 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226615566 857115288 /nfs/dbraw/zinc/11/52/88/857115288.db2.gz YHLQUHJSSJQQHR-MCIONIFRSA-N 1 3 353.467 0.073 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001226831552 857127857 /nfs/dbraw/zinc/12/78/57/857127857.db2.gz SPDPBKWJNFEPIJ-RBSFLKMASA-N 1 3 350.463 0.293 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(F)(F)F ZINC001228365755 857206190 /nfs/dbraw/zinc/20/61/90/857206190.db2.gz IPYLJDLSXSLHTK-VXGBXAGGSA-N 1 3 352.401 0.634 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCC ZINC001229860105 857290653 /nfs/dbraw/zinc/29/06/53/857290653.db2.gz MAOOSRLMPAZHKA-ZIAGYGMSSA-N 1 3 355.483 0.191 20 0 FCADHO CC(=O)Nc1cccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238239703 857465236 /nfs/dbraw/zinc/46/52/36/857465236.db2.gz FPFIIIBADLIFNF-HNNXBMFYSA-N 1 3 366.487 0.798 20 0 FCADHO CC(=O)Nc1cccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238239703 857465244 /nfs/dbraw/zinc/46/52/44/857465244.db2.gz FPFIIIBADLIFNF-HNNXBMFYSA-N 1 3 366.487 0.798 20 0 FCADHO S=C(NCCCN1CCOCC1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364438 857526909 /nfs/dbraw/zinc/52/69/09/857526909.db2.gz XYAMDNMLPDIFHU-HNNXBMFYSA-N 1 3 355.552 0.047 20 0 FCADHO COC(=O)[C@H]1CC[C@H](CN2C[C@@H]3CN(CC[NH+](C)C)C[C@H](C2)O3)CC1 ZINC001279504810 862923395 /nfs/dbraw/zinc/92/33/95/862923395.db2.gz JCAPZLNOUGOITA-VHKIVQRHSA-N 1 3 353.507 0.912 20 0 FCADHO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246004382 857562870 /nfs/dbraw/zinc/56/28/70/857562870.db2.gz CIQJXNSOJCRGMF-GJZGRUSLSA-N 1 3 353.463 0.786 20 0 FCADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CNCCC2 ZINC001246596665 857585608 /nfs/dbraw/zinc/58/56/08/857585608.db2.gz QJMRMQJAVCEXKG-XSWJXKHESA-N 1 3 353.463 0.145 20 0 FCADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CNCCC2 ZINC001246596665 857585615 /nfs/dbraw/zinc/58/56/15/857585615.db2.gz QJMRMQJAVCEXKG-XSWJXKHESA-N 1 3 353.463 0.145 20 0 FCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709497 857591606 /nfs/dbraw/zinc/59/16/06/857591606.db2.gz OTROUFKSZUSRJV-MWTISTBLSA-N 1 3 351.491 0.902 20 0 FCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709497 857591611 /nfs/dbraw/zinc/59/16/11/857591611.db2.gz OTROUFKSZUSRJV-MWTISTBLSA-N 1 3 351.491 0.902 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736220 857595729 /nfs/dbraw/zinc/59/57/29/857595729.db2.gz KFGVIRQORGSYNU-VXNCWWDNSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736220 857595731 /nfs/dbraw/zinc/59/57/31/857595731.db2.gz KFGVIRQORGSYNU-VXNCWWDNSA-N 1 3 351.491 0.714 20 0 FCADHO CC(C)N1CCN(CC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251627303 857736827 /nfs/dbraw/zinc/73/68/27/857736827.db2.gz MSTTXFRXHZRQJI-CYBMUJFWSA-N 1 3 359.408 0.880 20 0 FCADHO CC[C@@H](O)C[NH+]1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001251771569 857749886 /nfs/dbraw/zinc/74/98/86/857749886.db2.gz XAHJSPLYQKRERM-GOSISDBHSA-N 1 3 353.507 0.793 20 0 FCADHO CC(C)(O)C[NH+]1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001252354322 857795884 /nfs/dbraw/zinc/79/58/84/857795884.db2.gz HLOXAXFIZRMVTM-UHFFFAOYSA-N 1 3 353.507 0.793 20 0 FCADHO CN1CCCN(CC[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253167042 857867825 /nfs/dbraw/zinc/86/78/25/857867825.db2.gz DMVUYUAFAZGRLO-SFHVURJKSA-N 1 3 351.491 0.188 20 0 FCADHO CCOC(=O)C1(C(=O)OCC)CCC(N2CCN(CC[NH3+])CC2)CC1 ZINC001256990788 858111586 /nfs/dbraw/zinc/11/15/86/858111586.db2.gz IJXOVBSWQZPEKW-UHFFFAOYSA-N 1 3 355.479 0.618 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CCSC1 ZINC001257110587 858119787 /nfs/dbraw/zinc/11/97/87/858119787.db2.gz NEUCRPOAPIGBPQ-JJRVBVJISA-N 1 3 356.536 0.529 20 0 FCADHO CSC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261320924 858517855 /nfs/dbraw/zinc/51/78/55/858517855.db2.gz OZWBMRUVWPTACP-HNNXBMFYSA-N 1 3 358.552 0.540 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001261727010 858649106 /nfs/dbraw/zinc/64/91/06/858649106.db2.gz JPMNXPNYZBDSDG-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261727010 858649109 /nfs/dbraw/zinc/64/91/09/858649109.db2.gz JPMNXPNYZBDSDG-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001270332033 859719358 /nfs/dbraw/zinc/71/93/58/859719358.db2.gz DNWLATUHULRWIX-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001270332033 859719363 /nfs/dbraw/zinc/71/93/63/859719363.db2.gz DNWLATUHULRWIX-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831549 860275186 /nfs/dbraw/zinc/27/51/86/860275186.db2.gz NRLRYXSRMAOJIZ-LPHOPBHVSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](C(=O)N1CCC2(CCN(CC(=O)N(C)C)C2)CC1)[NH+]1CCCC1 ZINC001273503860 860510611 /nfs/dbraw/zinc/51/06/11/860510611.db2.gz QFELTPHJKXACTJ-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN(C)CCN1C)C2 ZINC001275176833 860979601 /nfs/dbraw/zinc/97/96/01/860979601.db2.gz LPYYOHSMBPWHHY-IEBWSBKVSA-N 1 3 351.539 0.108 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN(C)CCN1C)C2 ZINC001275176833 860979610 /nfs/dbraw/zinc/97/96/10/860979610.db2.gz LPYYOHSMBPWHHY-IEBWSBKVSA-N 1 3 351.539 0.108 20 0 FCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(C)(C)N1CCOCC1 ZINC001275516305 861119258 /nfs/dbraw/zinc/11/92/58/861119258.db2.gz WLWNSEDPDKHCMW-IAGOWNOFSA-N 1 3 352.523 0.724 20 0 FCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)N1CCOCC1 ZINC001275516305 861119263 /nfs/dbraw/zinc/11/92/63/861119263.db2.gz WLWNSEDPDKHCMW-IAGOWNOFSA-N 1 3 352.523 0.724 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]12 ZINC001279894462 863120506 /nfs/dbraw/zinc/12/05/06/863120506.db2.gz QYYUKTOCRBNJQO-HRCADAONSA-N 1 3 352.479 0.510 20 0 FCADHO COC(=O)[C@H](C)CN1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026416 863198986 /nfs/dbraw/zinc/19/89/86/863198986.db2.gz QPECJIJOMGFSMX-UKRRQHHQSA-N 1 3 369.531 0.813 20 0 FCADHO COC(C)(C)CN1C[C@@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001280055978 863227201 /nfs/dbraw/zinc/22/72/01/863227201.db2.gz CTZOQOOWTDZOBA-IXDOHACOSA-N 1 3 351.491 0.807 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(CC2COC(C)(C)OC2)C3)CC1 ZINC001280127918 863278128 /nfs/dbraw/zinc/27/81/28/863278128.db2.gz XXLYGJHCCUCMMP-INIZCTEOSA-N 1 3 351.491 0.918 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@@H]2COCCC23CN(C[C@H]2CCCO2)C3)CC1 ZINC001280191054 863319448 /nfs/dbraw/zinc/31/94/48/863319448.db2.gz CELQMWOOTKQOPJ-SJORKVTESA-N 1 3 351.491 0.714 20 0 FCADHO CN(C)C(=O)CN1CC2(C1)CC[NH+](CCCN1CCN(C)CC1)CC2 ZINC001280245570 863356623 /nfs/dbraw/zinc/35/66/23/863356623.db2.gz HTIKPGLCDIYNSU-UHFFFAOYSA-N 1 3 351.539 0.110 20 0 FCADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001293091611 865775775 /nfs/dbraw/zinc/77/57/75/865775775.db2.gz GAPDCJZDNKCRTQ-SFHVURJKSA-N 1 3 350.511 0.828 20 0 FCADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001293091611 865775779 /nfs/dbraw/zinc/77/57/79/865775779.db2.gz GAPDCJZDNKCRTQ-SFHVURJKSA-N 1 3 350.511 0.828 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN([C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539294 870371879 /nfs/dbraw/zinc/37/18/79/870371879.db2.gz LYDLRBYLOKVGFB-IDCNUPLLSA-N 1 3 351.491 0.985 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)c1nccs1 ZINC001328343973 871376888 /nfs/dbraw/zinc/37/68/88/871376888.db2.gz QGRGQIGTDKJPER-BFHYXJOUSA-N 1 3 367.519 0.931 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)c1nccs1 ZINC001328343973 871376906 /nfs/dbraw/zinc/37/69/06/871376906.db2.gz QGRGQIGTDKJPER-BFHYXJOUSA-N 1 3 367.519 0.931 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(O)(CO)CC3)CC2)CC1 ZINC001328553006 871501134 /nfs/dbraw/zinc/50/11/34/871501134.db2.gz KLADQFGYPSAAAB-UHFFFAOYSA-N 1 3 354.495 0.074 20 0 FCADHO COCCN1[C@H](C)CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC001346996253 872107922 /nfs/dbraw/zinc/10/79/22/872107922.db2.gz GPLRILOAWZIIPN-ZACQAIPSSA-N 1 3 355.527 0.373 20 0 FCADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575908400 950363325 /nfs/dbraw/zinc/36/33/25/950363325.db2.gz BWEMONMVOPDADP-CJNGLKHVSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908400 950363339 /nfs/dbraw/zinc/36/33/39/950363339.db2.gz BWEMONMVOPDADP-CJNGLKHVSA-N 1 3 357.462 0.897 20 0 FCADHO O=C(N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001571040212 951664093 /nfs/dbraw/zinc/66/40/93/951664093.db2.gz OVEBFVIMVYNPMY-OAHLLOKOSA-N 1 3 367.457 0.653 20 0 FCADHO O=C(N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040212 951664098 /nfs/dbraw/zinc/66/40/98/951664098.db2.gz OVEBFVIMVYNPMY-OAHLLOKOSA-N 1 3 367.457 0.653 20 0 FCADHO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000291474046 214037488 /nfs/dbraw/zinc/03/74/88/214037488.db2.gz POMGRRJLHJZAPW-RCCFBDPRSA-N 1 3 366.531 0.883 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691995 215034964 /nfs/dbraw/zinc/03/49/64/215034964.db2.gz VDWBQRSAUHCODY-RKVPGOIHSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691995 215034967 /nfs/dbraw/zinc/03/49/67/215034967.db2.gz VDWBQRSAUHCODY-RKVPGOIHSA-N 1 3 368.547 0.483 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]3CN)C2)CC1 ZINC000331756882 215043544 /nfs/dbraw/zinc/04/35/44/215043544.db2.gz CICHGKIKVGLIFY-IRXDYDNUSA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000331863406 215057647 /nfs/dbraw/zinc/05/76/47/215057647.db2.gz KSKJBVBXXDXDTI-BRWVUGGUSA-N 1 3 366.506 0.033 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331860135 215058526 /nfs/dbraw/zinc/05/85/26/215058526.db2.gz BFQOXSXYKXLTLX-FZKCQIBNSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334823 215132544 /nfs/dbraw/zinc/13/25/44/215132544.db2.gz VNXJZVYKCULIQX-OWLYRPNTSA-N 1 3 358.486 0.738 20 0 FCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334823 215132548 /nfs/dbraw/zinc/13/25/48/215132548.db2.gz VNXJZVYKCULIQX-OWLYRPNTSA-N 1 3 358.486 0.738 20 0 FCADHO CN(C(=O)C(=O)N1CCN(CC(F)(F)F)CC1)C1CCC[NH2+]CC1 ZINC000332348964 215135234 /nfs/dbraw/zinc/13/52/34/215135234.db2.gz UIHPPNZSILGHTI-LBPRGKRZSA-N 1 3 350.385 0.293 20 0 FCADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333298082 215260001 /nfs/dbraw/zinc/26/00/01/215260001.db2.gz KANAQZPUBDYWJV-ZBFHGGJFSA-N 1 3 359.478 0.977 20 0 FCADHO C[C@H]1NC(=O)N(CCN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000333803949 215319965 /nfs/dbraw/zinc/31/99/65/215319965.db2.gz DXASZPAVTMZASM-RBSFLKMASA-N 1 3 352.479 0.748 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000284430316 213138796 /nfs/dbraw/zinc/13/87/96/213138796.db2.gz KWMYUOMPDGIMJM-HNNXBMFYSA-N 1 3 364.490 0.700 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)CC1=O ZINC000246595631 209393683 /nfs/dbraw/zinc/39/36/83/209393683.db2.gz FYTGTZPSCUDIES-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)CC1=O ZINC000246595631 209393688 /nfs/dbraw/zinc/39/36/88/209393688.db2.gz FYTGTZPSCUDIES-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO NC[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000245540386 209369381 /nfs/dbraw/zinc/36/93/81/209369381.db2.gz KEYSQRDLTMYUNZ-RYQLBKOJSA-N 1 3 358.486 0.836 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000237719056 209356522 /nfs/dbraw/zinc/35/65/22/209356522.db2.gz GXEHZYWLOGBMQZ-UHFFFAOYSA-N 1 3 359.518 0.529 20 0 FCADHO CN1CCN(C(=O)CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000368332731 216235351 /nfs/dbraw/zinc/23/53/51/216235351.db2.gz OQCJWATXZRANAP-UHFFFAOYSA-N 1 3 351.539 0.110 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038730 216338427 /nfs/dbraw/zinc/33/84/27/216338427.db2.gz OMFSYZRCXHLMSK-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038730 216338429 /nfs/dbraw/zinc/33/84/29/216338429.db2.gz OMFSYZRCXHLMSK-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000188945310 209243212 /nfs/dbraw/zinc/24/32/12/209243212.db2.gz OSYLIRRXZMFLOJ-IAGOWNOFSA-N 1 3 369.554 0.357 20 0 FCADHO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1[nH]nc2c1CNCC2 ZINC000188783547 209237891 /nfs/dbraw/zinc/23/78/91/209237891.db2.gz TYQAGVSDRDDEHM-UHFFFAOYSA-N 1 3 369.469 0.942 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCCC[NH+](C)C)c2)CC1 ZINC000187069154 209202863 /nfs/dbraw/zinc/20/28/63/209202863.db2.gz LRIWXGCYRNIVPA-UHFFFAOYSA-N 1 3 361.490 0.835 20 0 FCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000414765759 245322682 /nfs/dbraw/zinc/32/26/82/245322682.db2.gz CJECESJTKYMXOM-INIZCTEOSA-N 1 3 362.474 0.914 20 0 FCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000414915431 245333040 /nfs/dbraw/zinc/33/30/40/245333040.db2.gz MTAWJMCVIABQBA-QGZVFWFLSA-N 1 3 350.488 0.898 20 0 FCADHO CN(CCCNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000374073805 217092852 /nfs/dbraw/zinc/09/28/52/217092852.db2.gz DREIGMRAGHGJQE-UHFFFAOYSA-N 1 3 374.551 0.192 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179938 217105787 /nfs/dbraw/zinc/10/57/87/217105787.db2.gz XEFODQXLUBKVGV-HZPDHXFCSA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856024 245868961 /nfs/dbraw/zinc/86/89/61/245868961.db2.gz WFBXBNWIDKLRGS-MSOLQXFVSA-N 1 3 360.502 0.863 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](CN)C1 ZINC000418906892 245902017 /nfs/dbraw/zinc/90/20/17/245902017.db2.gz WUYCSXLSPOCGSU-CVEARBPZSA-N 1 3 368.522 0.722 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCNCc2cccnc2)C1 ZINC000419130071 246005466 /nfs/dbraw/zinc/00/54/66/246005466.db2.gz BZUWQMWMRKUBBB-IAGOWNOFSA-N 1 3 361.490 0.667 20 0 FCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419153377 246019815 /nfs/dbraw/zinc/01/98/15/246019815.db2.gz PQXKIFJUUWCQBL-GJZGRUSLSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000419153758 246020068 /nfs/dbraw/zinc/02/00/68/246020068.db2.gz QGCNDZUGUSMCRD-HOCLYGCPSA-N 1 3 362.474 0.439 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419156523 246021605 /nfs/dbraw/zinc/02/16/05/246021605.db2.gz VJTUCVXGZOLYEP-BBRMVZONSA-N 1 3 364.515 0.930 20 0 FCADHO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)N2CCCC2)cc1 ZINC000419163486 246026110 /nfs/dbraw/zinc/02/61/10/246026110.db2.gz WRBWNRMQSQZWQB-ROUUACIJSA-N 1 3 374.485 0.353 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@H]1[NH3+] ZINC000419147619 246016986 /nfs/dbraw/zinc/01/69/86/246016986.db2.gz JCGWAXMLVAGFCK-CZUORRHYSA-N 1 3 364.515 0.882 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000419148151 246017112 /nfs/dbraw/zinc/01/71/12/246017112.db2.gz JUOQZXLVSCQQLY-GOEBONIOSA-N 1 3 362.474 0.439 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419165474 246028836 /nfs/dbraw/zinc/02/88/36/246028836.db2.gz GLIYTFVIMNWTKV-CVEARBPZSA-N 1 3 354.495 0.252 20 0 FCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419168455 246030124 /nfs/dbraw/zinc/03/01/24/246030124.db2.gz SHONQCRICQIKTJ-ZWKOTPCHSA-N 1 3 374.485 0.262 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419175986 246035241 /nfs/dbraw/zinc/03/52/41/246035241.db2.gz YLFNHNOVGOVMSE-ZACQAIPSSA-N 1 3 368.522 0.722 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1(C)C ZINC000419179367 246038031 /nfs/dbraw/zinc/03/80/31/246038031.db2.gz IHVASKKZLVMSBY-OAHLLOKOSA-N 1 3 367.538 0.023 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000419202228 246050240 /nfs/dbraw/zinc/05/02/40/246050240.db2.gz GPQJIFZWJRUVGB-IBGZPJMESA-N 1 3 362.474 0.441 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419361043 246118884 /nfs/dbraw/zinc/11/88/84/246118884.db2.gz AREBVBHDTJFKMB-FQEVSTJZSA-N 1 3 372.513 0.708 20 0 FCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419370372 246119642 /nfs/dbraw/zinc/11/96/42/246119642.db2.gz GVMRWRDIYUSMSH-KRWDZBQOSA-N 1 3 360.502 0.691 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373040 246122720 /nfs/dbraw/zinc/12/27/20/246122720.db2.gz MAJMHAMATVGDJE-MSOLQXFVSA-N 1 3 372.513 0.836 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCC(C)CC1 ZINC000419375693 246125653 /nfs/dbraw/zinc/12/56/53/246125653.db2.gz RZAYTPNTFMRMBL-IKGGRYGDSA-N 1 3 350.507 0.679 20 0 FCADHO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419415796 246149372 /nfs/dbraw/zinc/14/93/72/246149372.db2.gz GNVATMQLMRUJFD-ZWKOTPCHSA-N 1 3 358.486 0.937 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419411925 246144445 /nfs/dbraw/zinc/14/44/45/246144445.db2.gz CDMUDLCLSWDKLB-OALUTQOASA-N 1 3 370.497 0.619 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419423957 246157094 /nfs/dbraw/zinc/15/70/94/246157094.db2.gz NSFVWOFOOJJJII-SFHVURJKSA-N 1 3 374.485 0.046 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419428466 246159671 /nfs/dbraw/zinc/15/96/71/246159671.db2.gz STYRJFRKHAQPKA-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO NC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419504115 246184285 /nfs/dbraw/zinc/18/42/85/246184285.db2.gz FXVHGPNBWINWOS-ZWKOTPCHSA-N 1 3 358.486 0.965 20 0 FCADHO NC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419504115 246184291 /nfs/dbraw/zinc/18/42/91/246184291.db2.gz FXVHGPNBWINWOS-ZWKOTPCHSA-N 1 3 358.486 0.965 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419543582 246196794 /nfs/dbraw/zinc/19/67/94/246196794.db2.gz FWBFUNXZHXIBIE-DZGCQCFKSA-N 1 3 352.504 0.925 20 0 FCADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000419656893 246233214 /nfs/dbraw/zinc/23/32/14/246233214.db2.gz VHQREIMDFJEFEA-HOCLYGCPSA-N 1 3 362.474 0.337 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419660959 246235171 /nfs/dbraw/zinc/23/51/71/246235171.db2.gz DIWCPANEGMVNDK-UONOGXRCSA-N 1 3 354.495 0.454 20 0 FCADHO C[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC000419630237 246223608 /nfs/dbraw/zinc/22/36/08/246223608.db2.gz SRTKKEAFLZUJIC-JCGIZDLHSA-N 1 3 356.470 0.706 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC000419630236 246224720 /nfs/dbraw/zinc/22/47/20/246224720.db2.gz SRTKKEAFLZUJIC-FHLIZLRMSA-N 1 3 356.470 0.706 20 0 FCADHO NCCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419642511 246226480 /nfs/dbraw/zinc/22/64/80/246226480.db2.gz MBWWNKHJDVDQCA-UHFFFAOYSA-N 1 3 358.486 0.965 20 0 FCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419669017 246239219 /nfs/dbraw/zinc/23/92/19/246239219.db2.gz YYNAZMZLOSJBCN-AWEZNQCLSA-N 1 3 350.463 0.439 20 0 FCADHO COc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)ccc1OCC[NH+](C)C ZINC000419713290 246264706 /nfs/dbraw/zinc/26/47/06/246264706.db2.gz VMUHWQFRQZQNFK-ZDUSSCGKSA-N 1 3 366.462 0.640 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@H](C)C[NH3+])CCCC2)CC1 ZINC000419748538 246281739 /nfs/dbraw/zinc/28/17/39/246281739.db2.gz FSBATTJREUXORQ-CQSZACIVSA-N 1 3 354.495 0.237 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CCCC2)CC1 ZINC000419758359 246286226 /nfs/dbraw/zinc/28/62/26/246286226.db2.gz VXNLRGBWASGFIR-AWEZNQCLSA-N 1 3 354.495 0.332 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000419778210 246292939 /nfs/dbraw/zinc/29/29/39/246292939.db2.gz OHANXDMOKLTSPR-KFWWJZLASA-N 1 3 354.495 0.188 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH2+]C ZINC000419842885 246315798 /nfs/dbraw/zinc/31/57/98/246315798.db2.gz ILMUMBLXGXBDQY-QGZVFWFLSA-N 1 3 361.490 0.620 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846088 246318271 /nfs/dbraw/zinc/31/82/71/246318271.db2.gz RALJRHKPVJASSG-ZWKOTPCHSA-N 1 3 373.501 0.763 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419866462 246334367 /nfs/dbraw/zinc/33/43/67/246334367.db2.gz UKHGHJVSDZAMCI-MRXNPFEDSA-N 1 3 364.465 0.832 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867462 246334667 /nfs/dbraw/zinc/33/46/67/246334667.db2.gz KYWWRIVCTMEMOF-QGZVFWFLSA-N 1 3 367.538 0.169 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419927324 246373104 /nfs/dbraw/zinc/37/31/04/246373104.db2.gz CHHVMIGGFUMGBO-AWEZNQCLSA-N 1 3 352.454 0.688 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896490 246357545 /nfs/dbraw/zinc/35/75/45/246357545.db2.gz XSKWGIPFJRAQOW-DLBZAZTESA-N 1 3 359.474 0.373 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896492 246357615 /nfs/dbraw/zinc/35/76/15/246357615.db2.gz XSKWGIPFJRAQOW-IAGOWNOFSA-N 1 3 359.474 0.373 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000419900434 246359194 /nfs/dbraw/zinc/35/91/94/246359194.db2.gz QYBCCESLCJEGTM-INIZCTEOSA-N 1 3 362.474 0.454 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419958306 246388149 /nfs/dbraw/zinc/38/81/49/246388149.db2.gz QDZPXPPYMPSXJL-KFWWJZLASA-N 1 3 354.495 0.045 20 0 FCADHO NC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967325 246392966 /nfs/dbraw/zinc/39/29/66/246392966.db2.gz NSJVQIIFFNYWCU-WBVHZDCISA-N 1 3 350.507 0.955 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419973774 246396337 /nfs/dbraw/zinc/39/63/37/246396337.db2.gz ILGVNPQYFMGJLG-IAGOWNOFSA-N 1 3 350.507 0.969 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)o1 ZINC000419973799 246397638 /nfs/dbraw/zinc/39/76/38/246397638.db2.gz HBBSNSMJQCJXDG-HNNXBMFYSA-N 1 3 352.479 0.968 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419999758 246408260 /nfs/dbraw/zinc/40/82/60/246408260.db2.gz SLNSXGBHVLAJEE-NVXWUHKLSA-N 1 3 361.490 0.748 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423358563 247010432 /nfs/dbraw/zinc/01/04/32/247010432.db2.gz BRRGWRITHSCDDZ-HUUCEWRRSA-N 1 3 364.515 0.706 20 0 FCADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398568 247020471 /nfs/dbraw/zinc/02/04/71/247020471.db2.gz VOXFKDUERJSMNW-YNEHKIRRSA-N 1 3 357.442 0.768 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423212132 246978162 /nfs/dbraw/zinc/97/81/62/246978162.db2.gz LQHXLVYAVSVKJI-HRCADAONSA-N 1 3 354.495 0.141 20 0 FCADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423557781 247052173 /nfs/dbraw/zinc/05/21/73/247052173.db2.gz COIJRHCSGZXWRJ-YLJYHZDGSA-N 1 3 374.485 0.032 20 0 FCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000423574681 247058826 /nfs/dbraw/zinc/05/88/26/247058826.db2.gz XKZVPPHLTFNKFI-JLJPHGGASA-N 1 3 362.449 0.489 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423584215 247063792 /nfs/dbraw/zinc/06/37/92/247063792.db2.gz BVXZPTMXEJHZSX-UHFFFAOYSA-N 1 3 352.504 0.836 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423583834 247063918 /nfs/dbraw/zinc/06/39/18/247063918.db2.gz BBLZKDNCNIFZCJ-JKSUJKDBSA-N 1 3 364.515 0.706 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000423487426 247035276 /nfs/dbraw/zinc/03/52/76/247035276.db2.gz XEXKGHCTVXRBLM-MRXNPFEDSA-N 1 3 362.474 0.535 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423771363 247139666 /nfs/dbraw/zinc/13/96/66/247139666.db2.gz FVZUSZWEJWFNQX-FUHWJXTLSA-N 1 3 358.486 0.978 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000423724426 247125877 /nfs/dbraw/zinc/12/58/77/247125877.db2.gz HELAWIADQMYRQS-BRWVUGGUSA-N 1 3 368.522 0.532 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423730388 247130771 /nfs/dbraw/zinc/13/07/71/247130771.db2.gz XWNPCGKWKPQHRQ-HRCADAONSA-N 1 3 368.522 0.530 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC(n3ncc4c3CNC4)CC2)CC1 ZINC000424294427 247195343 /nfs/dbraw/zinc/19/53/43/247195343.db2.gz QILRJBAYJJEDJG-UHFFFAOYSA-N 1 3 360.506 0.724 20 0 FCADHO [NH3+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000424494311 247240063 /nfs/dbraw/zinc/24/00/63/247240063.db2.gz MZTQLXMCKDLCLH-RBUKOAKNSA-N 1 3 370.497 0.917 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540026 247254844 /nfs/dbraw/zinc/25/48/44/247254844.db2.gz FYAQBBLEAVSZFX-XGXHKWSGSA-N 1 3 370.497 0.976 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424524376 247250406 /nfs/dbraw/zinc/25/04/06/247250406.db2.gz PRDDKNIIFSDNLH-CEXWTWQISA-N 1 3 370.497 0.835 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424442074 247215700 /nfs/dbraw/zinc/21/57/00/247215700.db2.gz USXOVMWWWCZXIE-OAHLLOKOSA-N 1 3 361.490 0.534 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000424451337 247221465 /nfs/dbraw/zinc/22/14/65/247221465.db2.gz BFGGHKVMLTYYLE-OAHLLOKOSA-N 1 3 361.490 0.534 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540021 247255927 /nfs/dbraw/zinc/25/59/27/247255927.db2.gz FYAQBBLEAVSZFX-GDAAHCPNSA-N 1 3 370.497 0.976 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000425322409 247323194 /nfs/dbraw/zinc/32/31/94/247323194.db2.gz TUYQDAOELWOLFH-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425322409 247323199 /nfs/dbraw/zinc/32/31/99/247323199.db2.gz TUYQDAOELWOLFH-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425322409 247323202 /nfs/dbraw/zinc/32/32/02/247323202.db2.gz TUYQDAOELWOLFH-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000442610218 248293110 /nfs/dbraw/zinc/29/31/10/248293110.db2.gz NLQGUONPDWVXFO-KRWDZBQOSA-N 1 3 369.554 0.404 20 0 FCADHO C[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444254988 248353443 /nfs/dbraw/zinc/35/34/43/248353443.db2.gz WMSWYCYXMDZLLK-KURKYZTESA-N 1 3 354.539 0.754 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445867585 248378496 /nfs/dbraw/zinc/37/84/96/248378496.db2.gz WURACDWFLCCETA-HNNXBMFYSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H](CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)N(C)C ZINC000459049508 249706601 /nfs/dbraw/zinc/70/66/01/249706601.db2.gz ZBLDQVJTBWKXQE-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000469848285 250006701 /nfs/dbraw/zinc/00/67/01/250006701.db2.gz HZXZXMGTAQHQCY-GEEKYZPCSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000469848285 250006705 /nfs/dbraw/zinc/00/67/05/250006705.db2.gz HZXZXMGTAQHQCY-GEEKYZPCSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000469848285 250006707 /nfs/dbraw/zinc/00/67/07/250006707.db2.gz HZXZXMGTAQHQCY-GEEKYZPCSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000469848285 250006713 /nfs/dbraw/zinc/00/67/13/250006713.db2.gz HZXZXMGTAQHQCY-GEEKYZPCSA-N 1 3 356.463 0.770 20 0 FCADHO C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000471655856 250113814 /nfs/dbraw/zinc/11/38/14/250113814.db2.gz YYVCRDNVLGRLSP-IRXDYDNUSA-N 1 3 355.527 0.232 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000474026796 250265998 /nfs/dbraw/zinc/26/59/98/250265998.db2.gz ANOISOGURGKOEJ-QGZVFWFLSA-N 1 3 369.554 0.404 20 0 FCADHO CCN(C)C(=O)[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000473924773 250257662 /nfs/dbraw/zinc/25/76/62/250257662.db2.gz WGYAPLGSRSWSNU-JKSUJKDBSA-N 1 3 355.527 0.911 20 0 FCADHO CCN(C)C(=O)[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000473924773 250257665 /nfs/dbraw/zinc/25/76/65/250257665.db2.gz WGYAPLGSRSWSNU-JKSUJKDBSA-N 1 3 355.527 0.911 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930868 250297748 /nfs/dbraw/zinc/29/77/48/250297748.db2.gz IQRVRRKWEUAOKX-OAGGEKHMSA-N 1 3 356.511 0.163 20 0 FCADHO CN1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3C)c2)CC1 ZINC000118105346 208348577 /nfs/dbraw/zinc/34/85/77/208348577.db2.gz ZRDOYHLVSRAVDR-GOSISDBHSA-N 1 3 373.501 0.583 20 0 FCADHO CN1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000118105346 208348579 /nfs/dbraw/zinc/34/85/79/208348579.db2.gz ZRDOYHLVSRAVDR-GOSISDBHSA-N 1 3 373.501 0.583 20 0 FCADHO C[C@@H]1CN(CCC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000177481804 209025645 /nfs/dbraw/zinc/02/56/45/209025645.db2.gz UBCATZFPNYDCEP-HUUCEWRRSA-N 1 3 352.479 0.750 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410441120 230081623 /nfs/dbraw/zinc/08/16/23/230081623.db2.gz XZYIXYOZFAHOFP-QFBILLFUSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410441120 230081628 /nfs/dbraw/zinc/08/16/28/230081628.db2.gz XZYIXYOZFAHOFP-QFBILLFUSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000410463303 230088583 /nfs/dbraw/zinc/08/85/83/230088583.db2.gz AOXFFDGAKRTVNE-MRXNPFEDSA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH+]1CCN(CCC(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000299677452 488866196 /nfs/dbraw/zinc/86/61/96/488866196.db2.gz UOWCWDCQPMFHPA-UHFFFAOYSA-N 1 3 374.533 0.477 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699590 488895496 /nfs/dbraw/zinc/89/54/96/488895496.db2.gz UHMUAWXRBXBXSQ-WMZOPIPTSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699590 488895500 /nfs/dbraw/zinc/89/55/00/488895500.db2.gz UHMUAWXRBXBXSQ-WMZOPIPTSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699588 488895179 /nfs/dbraw/zinc/89/51/79/488895179.db2.gz UHMUAWXRBXBXSQ-FUHWJXTLSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699588 488895180 /nfs/dbraw/zinc/89/51/80/488895180.db2.gz UHMUAWXRBXBXSQ-FUHWJXTLSA-N 1 3 358.486 0.835 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278968272 488907758 /nfs/dbraw/zinc/90/77/58/488907758.db2.gz IQYDEIFLMKVBEI-CJNGLKHVSA-N 1 3 362.478 0.159 20 0 FCADHO CN(C)C/C=C/C(=O)Nc1nc(CCNC(=O)/C=C/C[NH+](C)C)cs1 ZINC000279271028 488928208 /nfs/dbraw/zinc/92/82/08/488928208.db2.gz YZCIAXXPWDADNU-KQQUZDAGSA-N 1 3 365.503 0.976 20 0 FCADHO CN(C)C/C=C/C(=O)NCCc1csc(NC(=O)/C=C/C[NH+](C)C)n1 ZINC000279271028 488928210 /nfs/dbraw/zinc/92/82/10/488928210.db2.gz YZCIAXXPWDADNU-KQQUZDAGSA-N 1 3 365.503 0.976 20 0 FCADHO C[C@H](CN1CCOCC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760898 488144241 /nfs/dbraw/zinc/14/42/41/488144241.db2.gz HHXCJEXZRPIPBE-MRXNPFEDSA-N 1 3 367.538 0.565 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000562816080 491191985 /nfs/dbraw/zinc/19/19/85/491191985.db2.gz TXLHAYOBNPQLKE-HOTGVXAUSA-N 1 3 351.495 0.324 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000562837546 491195114 /nfs/dbraw/zinc/19/51/14/491195114.db2.gz OANIKGPKCFPLAE-CKEIUWERSA-N 1 3 356.536 0.529 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000185606715 488401994 /nfs/dbraw/zinc/40/19/94/488401994.db2.gz YQXDTKUQWCUCIJ-KRWDZBQOSA-N 1 3 368.570 0.338 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000185732744 488402402 /nfs/dbraw/zinc/40/24/02/488402402.db2.gz NHHCIPGTVBRCQI-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H]1C(=O)N(C)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186556650 488407182 /nfs/dbraw/zinc/40/71/82/488407182.db2.gz HNHZWYPHZQMDFG-CQSZACIVSA-N 1 3 351.495 0.417 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000187014881 488408289 /nfs/dbraw/zinc/40/82/89/488408289.db2.gz WZBHPTNNXQMJSJ-SJLPKXTDSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000077776171 488417738 /nfs/dbraw/zinc/41/77/38/488417738.db2.gz SNDIPUBMBXUQNK-UHFFFAOYSA-N 1 3 370.519 0.725 20 0 FCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464690 488497158 /nfs/dbraw/zinc/49/71/58/488497158.db2.gz ZQGSLPYNDVMONX-MJGOQNOKSA-N 1 3 364.490 0.365 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047777 488497369 /nfs/dbraw/zinc/49/73/69/488497369.db2.gz KAQMWNAKTJDUFE-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047777 488497370 /nfs/dbraw/zinc/49/73/70/488497370.db2.gz KAQMWNAKTJDUFE-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103305526 488500655 /nfs/dbraw/zinc/50/06/55/488500655.db2.gz QBERZBCAKAOODM-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103305350 488500733 /nfs/dbraw/zinc/50/07/33/488500733.db2.gz QBELHFUBLAUCDK-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103305350 488500734 /nfs/dbraw/zinc/50/07/34/488500734.db2.gz QBELHFUBLAUCDK-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO Cc1cccc2c1ncn(CC(=O)N(CCN(C)C)CC[NH+](C)C)c2=O ZINC000103212862 488500797 /nfs/dbraw/zinc/50/07/97/488500797.db2.gz LUDLVMMXCDIMSV-UHFFFAOYSA-N 1 3 359.474 0.657 20 0 FCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223165 488508458 /nfs/dbraw/zinc/50/84/58/488508458.db2.gz PSZISRSAHOLJKO-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223165 488508461 /nfs/dbraw/zinc/50/84/61/488508461.db2.gz PSZISRSAHOLJKO-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO COCCN(C)CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000105233573 488508579 /nfs/dbraw/zinc/50/85/79/488508579.db2.gz PKMAPBWMFYUORC-QZTJIDSGSA-N 1 3 369.554 0.765 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000105270097 488508621 /nfs/dbraw/zinc/50/86/21/488508621.db2.gz BWKQLFYTUGYJMP-OAHLLOKOSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000105270097 488508624 /nfs/dbraw/zinc/50/86/24/488508624.db2.gz BWKQLFYTUGYJMP-OAHLLOKOSA-N 1 3 351.495 0.419 20 0 FCADHO CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105318914 488508845 /nfs/dbraw/zinc/50/88/45/488508845.db2.gz XNUOQZLWPSTBML-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105318914 488508847 /nfs/dbraw/zinc/50/88/47/488508847.db2.gz XNUOQZLWPSTBML-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261730970 488533399 /nfs/dbraw/zinc/53/33/99/488533399.db2.gz JVXDJDJZHLHIKC-INMHGKMJSA-N 1 3 360.458 0.829 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757810 488534707 /nfs/dbraw/zinc/53/47/07/488534707.db2.gz JLLXFRLCABSKDO-IRXDYDNUSA-N 1 3 362.518 0.921 20 0 FCADHO COc1cc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)ccc1OCCN(C)C ZINC000261874234 488539485 /nfs/dbraw/zinc/53/94/85/488539485.db2.gz TYXCLWOFSBZDIF-ZBFHGGJFSA-N 1 3 351.447 0.758 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000120149797 488560093 /nfs/dbraw/zinc/56/00/93/488560093.db2.gz NDVHDXCSUQDWCO-UHFFFAOYSA-N 1 3 350.467 0.741 20 0 FCADHO COc1cc(F)cc(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000554497003 491205932 /nfs/dbraw/zinc/20/59/32/491205932.db2.gz QVJGYANRGRUNDK-UHFFFAOYSA-N 1 3 368.453 0.402 20 0 FCADHO COc1cc(F)cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000554497003 491205933 /nfs/dbraw/zinc/20/59/33/491205933.db2.gz QVJGYANRGRUNDK-UHFFFAOYSA-N 1 3 368.453 0.402 20 0 FCADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1(C)C ZINC000262782730 488593253 /nfs/dbraw/zinc/59/32/53/488593253.db2.gz LKEKJZKXEOKIGY-BEFAXECRSA-N 1 3 366.506 0.286 20 0 FCADHO CO[C@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262827968 488595747 /nfs/dbraw/zinc/59/57/47/488595747.db2.gz HNPKZTBPDVITTG-KRWDZBQOSA-N 1 3 362.474 0.492 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cn1 ZINC000262966542 488601184 /nfs/dbraw/zinc/60/11/84/488601184.db2.gz LJCFNCQRZLKASD-RHSMWYFYSA-N 1 3 350.467 0.407 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000133681006 488661106 /nfs/dbraw/zinc/66/11/06/488661106.db2.gz AQONJKRHPPZBIT-HNNXBMFYSA-N 1 3 352.483 0.877 20 0 FCADHO CC1CC[NH+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000136826676 488679365 /nfs/dbraw/zinc/67/93/65/488679365.db2.gz JBYZPTZFIWBXAT-QGZVFWFLSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)CN1CCN(C)CC1 ZINC000137063296 488679849 /nfs/dbraw/zinc/67/98/49/488679849.db2.gz XCWFICMWSQODGK-MRXNPFEDSA-N 1 3 363.506 0.635 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000138884156 488683491 /nfs/dbraw/zinc/68/34/91/488683491.db2.gz YMQUMYPYZOWDJK-QGZVFWFLSA-N 1 3 365.522 0.666 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000274406171 488705461 /nfs/dbraw/zinc/70/54/61/488705461.db2.gz FUIWFJROKICNNV-UHFFFAOYSA-N 1 3 364.490 0.897 20 0 FCADHO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccc(F)cc1)C(=O)NCCN1CCCCC1 ZINC000563095406 491214788 /nfs/dbraw/zinc/21/47/88/491214788.db2.gz RSTUVEFGJOOZCK-RHSMWYFYSA-N 1 3 364.465 0.975 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2)c1 ZINC000153170917 488727979 /nfs/dbraw/zinc/72/79/79/488727979.db2.gz PSIVSMDDGKTYQF-HXUWFJFHSA-N 1 3 362.518 0.936 20 0 FCADHO C[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)CN1CCOCC1 ZINC000156026078 488761186 /nfs/dbraw/zinc/76/11/86/488761186.db2.gz SDQLEVJFBXMHCY-INIZCTEOSA-N 1 3 355.527 0.280 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000156106938 488762110 /nfs/dbraw/zinc/76/21/10/488762110.db2.gz YSGOVVAGILOHJM-SQNIBIBYSA-N 1 3 368.522 0.726 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000156106684 488762119 /nfs/dbraw/zinc/76/21/19/488762119.db2.gz YSGOVVAGILOHJM-KURKYZTESA-N 1 3 368.522 0.726 20 0 FCADHO COCC1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000563147696 491221062 /nfs/dbraw/zinc/22/10/62/491221062.db2.gz VIEHFJIUUACHRN-UHFFFAOYSA-N 1 3 356.511 0.213 20 0 FCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962371 488862829 /nfs/dbraw/zinc/86/28/29/488862829.db2.gz DADRSYUXGZWUCJ-HNNXBMFYSA-N 1 3 367.538 0.057 20 0 FCADHO COCCN(C)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288754610 489012588 /nfs/dbraw/zinc/01/25/88/489012588.db2.gz YKMLEXGBLCSUOX-UHFFFAOYSA-N 1 3 367.494 0.790 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289301194 489056818 /nfs/dbraw/zinc/05/68/18/489056818.db2.gz SCLMEXBFVJPLLH-FQEVSTJZSA-N 1 3 371.529 0.705 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000289323521 489058660 /nfs/dbraw/zinc/05/86/60/489058660.db2.gz LBPLFKQDHOLXRJ-GOSISDBHSA-N 1 3 360.502 0.960 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365690110 489100656 /nfs/dbraw/zinc/10/06/56/489100656.db2.gz DBUICCSMHQIPCC-OGHNNQOOSA-N 1 3 350.467 0.305 20 0 FCADHO CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290253610 489124791 /nfs/dbraw/zinc/12/47/91/489124791.db2.gz WPPLVCSXAAGMOB-DLBZAZTESA-N 1 3 361.490 0.416 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365942091 489128338 /nfs/dbraw/zinc/12/83/38/489128338.db2.gz RXJSCINAIJRZAO-AWEZNQCLSA-N 1 3 364.494 0.935 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365942091 489128340 /nfs/dbraw/zinc/12/83/40/489128340.db2.gz RXJSCINAIJRZAO-AWEZNQCLSA-N 1 3 364.494 0.935 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c2ccccc2O1 ZINC000366173955 489154756 /nfs/dbraw/zinc/15/47/56/489154756.db2.gz NHMQRVYTSDYJBH-HOTGVXAUSA-N 1 3 374.485 0.752 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172646 489154856 /nfs/dbraw/zinc/15/48/56/489154856.db2.gz SIUXFHBEJZIWPY-PKOBYXMFSA-N 1 3 351.539 0.997 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172646 489154857 /nfs/dbraw/zinc/15/48/57/489154857.db2.gz SIUXFHBEJZIWPY-PKOBYXMFSA-N 1 3 351.539 0.997 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000331386325 489204847 /nfs/dbraw/zinc/20/48/47/489204847.db2.gz IAFQLQAPBZAQHA-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCC(C)CC1 ZINC000331447978 489212789 /nfs/dbraw/zinc/21/27/89/489212789.db2.gz SPAJTBJGBCJXMQ-TWMKSMIVSA-N 1 3 350.507 0.809 20 0 FCADHO CN1CCC(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)(N2CCOCC2)CC1 ZINC000563370159 491239955 /nfs/dbraw/zinc/23/99/55/491239955.db2.gz KKIFEYLLUQBRAI-UHFFFAOYSA-N 1 3 374.485 0.904 20 0 FCADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C[NH+](C)C)CC1 ZINC000332484694 489219433 /nfs/dbraw/zinc/21/94/33/489219433.db2.gz APULVVVHPITFCZ-INIZCTEOSA-N 1 3 360.506 0.787 20 0 FCADHO CC[C@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000332906568 489244855 /nfs/dbraw/zinc/24/48/55/489244855.db2.gz WRFPBUURPSTTPE-CABCVRRESA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000333003135 489255625 /nfs/dbraw/zinc/25/56/25/489255625.db2.gz LOJFFWLTJMITDR-IKGGRYGDSA-N 1 3 354.495 0.336 20 0 FCADHO C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563448716 491247861 /nfs/dbraw/zinc/24/78/61/491247861.db2.gz LXYUZBNTFDTJFB-HOCLYGCPSA-N 1 3 361.446 0.403 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452345 491248643 /nfs/dbraw/zinc/24/86/43/491248643.db2.gz WGHZEIVDZSXFTN-IXDOHACOSA-N 1 3 363.506 0.737 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452345 491248644 /nfs/dbraw/zinc/24/86/44/491248644.db2.gz WGHZEIVDZSXFTN-IXDOHACOSA-N 1 3 363.506 0.737 20 0 FCADHO CN[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000286153120 489362129 /nfs/dbraw/zinc/36/21/29/489362129.db2.gz PYQAIJTYQOHPBE-GOSISDBHSA-N 1 3 371.489 0.404 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021150 489439084 /nfs/dbraw/zinc/43/90/84/489439084.db2.gz XQHUVNWAPVDDRL-IAGOWNOFSA-N 1 3 353.511 0.129 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021150 489439088 /nfs/dbraw/zinc/43/90/88/489439088.db2.gz XQHUVNWAPVDDRL-IAGOWNOFSA-N 1 3 353.511 0.129 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@]3(F)CCNC3)c2)C1 ZINC000371271463 489472291 /nfs/dbraw/zinc/47/22/91/489472291.db2.gz RATUODGLXANQPZ-QFBILLFUSA-N 1 3 362.449 0.702 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@]3(F)CCNC3)c2)C1 ZINC000371271463 489472294 /nfs/dbraw/zinc/47/22/94/489472294.db2.gz RATUODGLXANQPZ-QFBILLFUSA-N 1 3 362.449 0.702 20 0 FCADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCCN1CC[NH2+]CC1)CCC2 ZINC000423190592 489500717 /nfs/dbraw/zinc/50/07/17/489500717.db2.gz STYZESOJZMIYEJ-KRWDZBQOSA-N 1 3 352.504 0.596 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423203188 489502036 /nfs/dbraw/zinc/50/20/36/489502036.db2.gz MJZVSRVXGPMSSC-CQSZACIVSA-N 1 3 354.401 0.415 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423200215 489502229 /nfs/dbraw/zinc/50/22/29/489502229.db2.gz DYJFZSFTHMEBCP-AWEZNQCLSA-N 1 3 368.428 0.662 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000423220923 489504513 /nfs/dbraw/zinc/50/45/13/489504513.db2.gz YWZFGZLIWHUQJZ-KRWDZBQOSA-N 1 3 368.522 0.404 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423234474 489506385 /nfs/dbraw/zinc/50/63/85/489506385.db2.gz PNDDBYBEXOTKQL-UHFFFAOYSA-N 1 3 360.502 0.831 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423256628 489507686 /nfs/dbraw/zinc/50/76/86/489507686.db2.gz CHIILWZWKKLSAL-ZWKOTPCHSA-N 1 3 358.486 0.740 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423259039 489508291 /nfs/dbraw/zinc/50/82/91/489508291.db2.gz CZUYQBBUOYOMBC-OAHLLOKOSA-N 1 3 356.511 0.389 20 0 FCADHO CN(C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000423261764 489508709 /nfs/dbraw/zinc/50/87/09/489508709.db2.gz KRLRJQKXAOJXRY-HDICACEKSA-N 1 3 370.497 0.787 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000423272825 489509742 /nfs/dbraw/zinc/50/97/42/489509742.db2.gz ZMDPZHJMAQDFCT-KRWDZBQOSA-N 1 3 358.486 0.930 20 0 FCADHO CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000563638014 491260021 /nfs/dbraw/zinc/26/00/21/491260021.db2.gz QXIFQVICXHBJTF-WCXIOVBPSA-N 1 3 357.458 0.385 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000415404610 489517722 /nfs/dbraw/zinc/51/77/22/489517722.db2.gz NGMRAIJKPRLLBU-HNNXBMFYSA-N 1 3 362.474 0.990 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000415454395 489522399 /nfs/dbraw/zinc/52/23/99/489522399.db2.gz NZNKNABDVDFMCK-SFHVURJKSA-N 1 3 373.501 0.616 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000415471706 489524005 /nfs/dbraw/zinc/52/40/05/489524005.db2.gz RJUBRYNRHSGOPI-GOSISDBHSA-N 1 3 373.501 0.712 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949407 489527551 /nfs/dbraw/zinc/52/75/51/489527551.db2.gz VHDJDTCOOLPUBQ-ROUUACIJSA-N 1 3 367.538 0.517 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000372099645 489544257 /nfs/dbraw/zinc/54/42/57/489544257.db2.gz XFCXVWKSMUQHIF-LJQANCHMSA-N 1 3 362.449 0.830 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000415736845 489548773 /nfs/dbraw/zinc/54/87/73/489548773.db2.gz BWYQSGIUYTYGDL-HOTGVXAUSA-N 1 3 374.485 0.942 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415893264 489564009 /nfs/dbraw/zinc/56/40/09/489564009.db2.gz MTDSAWBDOKLINR-CABCVRRESA-N 1 3 360.458 0.633 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128034 489595736 /nfs/dbraw/zinc/59/57/36/489595736.db2.gz JFEYXALUJKYFTF-HOTGVXAUSA-N 1 3 374.489 0.831 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000427128034 489595738 /nfs/dbraw/zinc/59/57/38/489595738.db2.gz JFEYXALUJKYFTF-HOTGVXAUSA-N 1 3 374.489 0.831 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000555681053 491265518 /nfs/dbraw/zinc/26/55/18/491265518.db2.gz CQXOBRVMCAFISZ-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030854 489639391 /nfs/dbraw/zinc/63/93/91/489639391.db2.gz PSTIGWITMCEHQI-KGLIPLIRSA-N 1 3 365.444 0.996 20 0 FCADHO C[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)CN1 ZINC000417363656 489649419 /nfs/dbraw/zinc/64/94/19/489649419.db2.gz GIRLMUTVEBCSSN-IRXDYDNUSA-N 1 3 360.506 0.986 20 0 FCADHO C[C@H]1NCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000417363649 489649612 /nfs/dbraw/zinc/64/96/12/489649612.db2.gz AUPBRSUSPGMPMB-SJORKVTESA-N 1 3 360.506 0.986 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417428143 489652649 /nfs/dbraw/zinc/65/26/49/489652649.db2.gz KFBUEXNQMOXLCF-JKSUJKDBSA-N 1 3 353.511 0.761 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417429272 489652917 /nfs/dbraw/zinc/65/29/17/489652917.db2.gz MTKUCNFEGRZLRF-BBWFWOEESA-N 1 3 365.522 0.616 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417572044 489658976 /nfs/dbraw/zinc/65/89/76/489658976.db2.gz YACAIIAPPHUQMN-ZBFHGGJFSA-N 1 3 353.511 0.746 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582723 489659043 /nfs/dbraw/zinc/65/90/43/489659043.db2.gz JFDFSSLUYKBHEK-UONOGXRCSA-N 1 3 365.444 0.996 20 0 FCADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1CNCCO1 ZINC000417594330 489659664 /nfs/dbraw/zinc/65/96/64/489659664.db2.gz MDZUFMBWAAIELJ-SFHVURJKSA-N 1 3 362.474 0.949 20 0 FCADHO O=C(NC[C@H]1C[NH2+]C[C@H]1O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622628 489660287 /nfs/dbraw/zinc/66/02/87/489660287.db2.gz HSPXUIQBFTYGAP-HUUCEWRRSA-N 1 3 356.536 0.618 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CN1C1CC1 ZINC000417847210 489668706 /nfs/dbraw/zinc/66/87/06/489668706.db2.gz AGUDAUYCKRPGNN-IIAWOOMASA-N 1 3 351.495 0.641 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCN1C ZINC000417993663 489674763 /nfs/dbraw/zinc/67/47/63/489674763.db2.gz AUGGKTLCNGUJIM-AGIUHOORSA-N 1 3 351.417 0.604 20 0 FCADHO [NH3+]CCN(CCO)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418075438 489677778 /nfs/dbraw/zinc/67/77/78/489677778.db2.gz PRDZSWWQLDJBCG-QGZVFWFLSA-N 1 3 350.463 0.240 20 0 FCADHO C[C@H](NC(=O)NCC(=O)NCCN1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418313590 489691169 /nfs/dbraw/zinc/69/11/69/489691169.db2.gz QQAWTPCTZYPOOD-JKSUJKDBSA-N 1 3 353.511 0.666 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CCCC2)C1 ZINC000570918585 491273361 /nfs/dbraw/zinc/27/33/61/491273361.db2.gz DUOPPCGOVWKDCX-KRWDZBQOSA-N 1 3 352.523 0.977 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623658 489711885 /nfs/dbraw/zinc/71/18/85/489711885.db2.gz XIIJORFERLKJSL-OLZOCXBDSA-N 1 3 351.417 0.558 20 0 FCADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418651154 489715727 /nfs/dbraw/zinc/71/57/27/489715727.db2.gz LDBMIXVWAIJCEY-RDJZCZTQSA-N 1 3 361.490 0.745 20 0 FCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000418670399 489717386 /nfs/dbraw/zinc/71/73/86/489717386.db2.gz QRAIYMBNBRKIQX-QAQDUYKDSA-N 1 3 365.522 0.701 20 0 FCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418776706 489725936 /nfs/dbraw/zinc/72/59/36/489725936.db2.gz GKTFODKWKCFCRC-QGZVFWFLSA-N 1 3 373.501 0.183 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807845 489732916 /nfs/dbraw/zinc/73/29/16/489732916.db2.gz QIFDLEMRMRMOIQ-KBPBESRZSA-N 1 3 354.495 0.454 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H]1C[NH3+] ZINC000418848348 489754292 /nfs/dbraw/zinc/75/42/92/489754292.db2.gz LHEGOOIXBLBXSZ-NJAFHUGGSA-N 1 3 360.502 0.719 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848895 489755813 /nfs/dbraw/zinc/75/58/13/489755813.db2.gz LVRMAYKQILSTPM-YLJYHZDGSA-N 1 3 358.486 0.488 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418875046 489769931 /nfs/dbraw/zinc/76/99/31/489769931.db2.gz CMAGATGWEMMEAY-HNNXBMFYSA-N 1 3 354.495 0.381 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cn1 ZINC000430792408 489770542 /nfs/dbraw/zinc/77/05/42/489770542.db2.gz RDDUGHAZWRNDDZ-HOTGVXAUSA-N 1 3 364.494 0.797 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cn1 ZINC000430792409 489770650 /nfs/dbraw/zinc/77/06/50/489770650.db2.gz RDDUGHAZWRNDDZ-HZPDHXFCSA-N 1 3 364.494 0.797 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H]1C[NH3+] ZINC000418878110 489770766 /nfs/dbraw/zinc/77/07/66/489770766.db2.gz QFNTVLXQXBVVQJ-NJAFHUGGSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418879000 489770812 /nfs/dbraw/zinc/77/08/12/489770812.db2.gz MVLMNFUEPWSAGQ-HOCLYGCPSA-N 1 3 354.495 0.237 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@H]1C[NH3+] ZINC000418878115 489771187 /nfs/dbraw/zinc/77/11/87/489771187.db2.gz QFNTVLXQXBVVQJ-NXHRZFHOSA-N 1 3 360.502 0.861 20 0 FCADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430948763 489780615 /nfs/dbraw/zinc/78/06/15/489780615.db2.gz LHEVZNKJSUOUIF-HNNXBMFYSA-N 1 3 362.474 0.884 20 0 FCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)CCN(C)C)CC2)CC1 ZINC000459902590 489785590 /nfs/dbraw/zinc/78/55/90/489785590.db2.gz VYLXEAKWEKJUKI-UHFFFAOYSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000570921397 491273389 /nfs/dbraw/zinc/27/33/89/491273389.db2.gz ZNJPQDAPEUWDBS-CSFFLVESSA-N 1 3 355.523 0.424 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000570921397 491273390 /nfs/dbraw/zinc/27/33/90/491273390.db2.gz ZNJPQDAPEUWDBS-CSFFLVESSA-N 1 3 355.523 0.424 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CCN(C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431286819 489799034 /nfs/dbraw/zinc/79/90/34/489799034.db2.gz ZYIYFDSSPSTSCS-OAHLLOKOSA-N 1 3 351.495 0.515 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945035 489799357 /nfs/dbraw/zinc/79/93/57/489799357.db2.gz KXELWVDBBPVJHW-DOTOQJQBSA-N 1 3 362.474 0.199 20 0 FCADHO CN(C)[C@@H](CNC(=O)CN(C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000475041529 489803581 /nfs/dbraw/zinc/80/35/81/489803581.db2.gz ZVTKCFMJXJONCX-IBGZPJMESA-N 1 3 362.518 0.794 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000459997723 489812780 /nfs/dbraw/zinc/81/27/80/489812780.db2.gz TYBAVOJXWTXQLF-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000459997723 489812783 /nfs/dbraw/zinc/81/27/83/489812783.db2.gz TYBAVOJXWTXQLF-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005021 489814984 /nfs/dbraw/zinc/81/49/84/489814984.db2.gz RKUHUFALVYBTFC-GJZGRUSLSA-N 1 3 354.495 0.454 20 0 FCADHO O=C(CNC(=O)NC1CCN(C2CC2)CC1)NCC[NH+]1CCCCCC1 ZINC000431769773 489818382 /nfs/dbraw/zinc/81/83/82/489818382.db2.gz JGMBWAMZYCBJST-UHFFFAOYSA-N 1 3 365.522 0.905 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419017558 489819837 /nfs/dbraw/zinc/81/98/37/489819837.db2.gz BBMYDKFNDRZDGM-ZJIFWQFVSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022319 489821635 /nfs/dbraw/zinc/82/16/35/489821635.db2.gz IEOAJWLWHYWBBL-QLFBSQMISA-N 1 3 368.522 0.842 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022319 489821641 /nfs/dbraw/zinc/82/16/41/489821641.db2.gz IEOAJWLWHYWBBL-QLFBSQMISA-N 1 3 368.522 0.842 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419029142 489824574 /nfs/dbraw/zinc/82/45/74/489824574.db2.gz FPVDXEADVHLBET-CQSZACIVSA-N 1 3 354.520 0.414 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419042224 489831379 /nfs/dbraw/zinc/83/13/79/489831379.db2.gz LHYHDLZJGOITPG-KRWDZBQOSA-N 1 3 370.538 0.824 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419042105 489831417 /nfs/dbraw/zinc/83/14/17/489831417.db2.gz ZOIYMZAXEGVYES-CQSZACIVSA-N 1 3 356.536 0.660 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419047059 489834329 /nfs/dbraw/zinc/83/43/29/489834329.db2.gz RGJOVGBORCCDSX-OWCLPIDISA-N 1 3 368.522 0.578 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000460055259 489835906 /nfs/dbraw/zinc/83/59/06/489835906.db2.gz FXWYALPCZIOSNZ-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000460055259 489835909 /nfs/dbraw/zinc/83/59/09/489835909.db2.gz FXWYALPCZIOSNZ-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419097129 489854114 /nfs/dbraw/zinc/85/41/14/489854114.db2.gz DJFKQOYXEKKPTL-INIZCTEOSA-N 1 3 368.522 0.724 20 0 FCADHO CN1CCN(c2ccc(CNC(=O)CCCN3CCC([NH3+])CC3)cn2)CC1 ZINC000433163244 489870078 /nfs/dbraw/zinc/87/00/78/489870078.db2.gz WWVOXBABLAGRFQ-UHFFFAOYSA-N 1 3 374.533 0.653 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419982268 489872395 /nfs/dbraw/zinc/87/23/95/489872395.db2.gz BCKZWMBXOVWDJJ-HRCADAONSA-N 1 3 368.522 0.578 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000494192838 489874361 /nfs/dbraw/zinc/87/43/61/489874361.db2.gz UJRPLHDLXXKAKY-HZPDHXFCSA-N 1 3 364.494 0.944 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCOCC2)CCCO1 ZINC000433339315 489877320 /nfs/dbraw/zinc/87/73/20/489877320.db2.gz ZPZBIIDAPVQQKG-MRXNPFEDSA-N 1 3 356.511 0.897 20 0 FCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000420012524 489880535 /nfs/dbraw/zinc/88/05/35/489880535.db2.gz AYHKAXFODFJFMP-LSDHHAIUSA-N 1 3 356.511 0.793 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000420015289 489881642 /nfs/dbraw/zinc/88/16/42/489881642.db2.gz LSFUUJTYVYHRPN-KRWDZBQOSA-N 1 3 361.490 0.856 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420023539 489884317 /nfs/dbraw/zinc/88/43/17/489884317.db2.gz APYFMTBDZPXELU-ZNMIVQPWSA-N 1 3 354.495 0.310 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420023539 489884319 /nfs/dbraw/zinc/88/43/19/489884319.db2.gz APYFMTBDZPXELU-ZNMIVQPWSA-N 1 3 354.495 0.310 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027119 489885361 /nfs/dbraw/zinc/88/53/61/489885361.db2.gz CUBBOWZXJRAFAF-GDBMZVCRSA-N 1 3 368.522 0.796 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433467056 489888113 /nfs/dbraw/zinc/88/81/13/489888113.db2.gz PHWPKZLTOREUFO-MSOLQXFVSA-N 1 3 370.538 0.879 20 0 FCADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000564045414 491285801 /nfs/dbraw/zinc/28/58/01/491285801.db2.gz XFHIQTKMFONIGT-CVEARBPZSA-N 1 3 356.511 0.260 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420065368 489900049 /nfs/dbraw/zinc/90/00/49/489900049.db2.gz POPYOSSWBZJOOF-VBQJREDUSA-N 1 3 366.506 0.188 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N[C@H](CN)C3CC3)C2)CC1 ZINC000420063844 489900076 /nfs/dbraw/zinc/90/00/76/489900076.db2.gz NXVCUPKOUHFZSV-NVXWUHKLSA-N 1 3 350.507 0.810 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1)C1CC1 ZINC000420064953 489900101 /nfs/dbraw/zinc/90/01/01/489900101.db2.gz PFOQPPDUQXILHB-QGZVFWFLSA-N 1 3 350.507 0.955 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)o1 ZINC000420141251 489928404 /nfs/dbraw/zinc/92/84/04/489928404.db2.gz ZBSPHNOFSFWSLL-UKRRQHHQSA-N 1 3 350.463 0.735 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143490 489928519 /nfs/dbraw/zinc/92/85/19/489928519.db2.gz XXXIOBYLUWFBMW-UHFFFAOYSA-N 1 3 350.488 0.674 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000477038262 489935530 /nfs/dbraw/zinc/93/55/30/489935530.db2.gz ZXZVMJDRZMEOFR-HNNXBMFYSA-N 1 3 356.511 0.402 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420164980 489936981 /nfs/dbraw/zinc/93/69/81/489936981.db2.gz MRHKFCJVSUPJJZ-INIZCTEOSA-N 1 3 368.522 0.450 20 0 FCADHO O=C(NCC1CCN(CCO)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000477081174 489940087 /nfs/dbraw/zinc/94/00/87/489940087.db2.gz HBHFWOKDOPLAGG-UHFFFAOYSA-N 1 3 368.522 0.635 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)C2)CC1 ZINC000420188192 489946059 /nfs/dbraw/zinc/94/60/59/489946059.db2.gz CLANSDGSCFBPKV-IAGOWNOFSA-N 1 3 366.506 0.062 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000420198452 489949689 /nfs/dbraw/zinc/94/96/89/489949689.db2.gz CKFBDMHFCWAOOE-UHDSXZAQSA-N 1 3 350.507 0.727 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420207299 489953056 /nfs/dbraw/zinc/95/30/56/489953056.db2.gz UGADWZSMYUSETN-ZACQAIPSSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420207299 489953058 /nfs/dbraw/zinc/95/30/58/489953058.db2.gz UGADWZSMYUSETN-ZACQAIPSSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420297651 489960935 /nfs/dbraw/zinc/96/09/35/489960935.db2.gz RIZJEJKSBJNROO-CRAIPNDOSA-N 1 3 358.486 0.747 20 0 FCADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305641 489961572 /nfs/dbraw/zinc/96/15/72/489961572.db2.gz ZBKQUGHIKYTMDQ-QZTJIDSGSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305641 489961576 /nfs/dbraw/zinc/96/15/76/489961576.db2.gz ZBKQUGHIKYTMDQ-QZTJIDSGSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305641 489961581 /nfs/dbraw/zinc/96/15/81/489961581.db2.gz ZBKQUGHIKYTMDQ-QZTJIDSGSA-N 1 3 360.502 0.881 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(OC)CCOC1 ZINC000462325049 489969089 /nfs/dbraw/zinc/96/90/89/489969089.db2.gz FAMSTINVMFWLCM-SJLPKXTDSA-N 1 3 356.511 0.849 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(OC)CCOC1 ZINC000462325049 489969090 /nfs/dbraw/zinc/96/90/90/489969090.db2.gz FAMSTINVMFWLCM-SJLPKXTDSA-N 1 3 356.511 0.849 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420407652 489972298 /nfs/dbraw/zinc/97/22/98/489972298.db2.gz UVVWYHSNHBQLMW-SWLSCSKDSA-N 1 3 357.524 0.952 20 0 FCADHO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420422569 489974077 /nfs/dbraw/zinc/97/40/77/489974077.db2.gz QBCKCUPPDCNOET-OAHLLOKOSA-N 1 3 357.524 0.824 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000477653310 489982775 /nfs/dbraw/zinc/98/27/75/489982775.db2.gz PRQWNADQZWMKQE-OAHLLOKOSA-N 1 3 368.522 0.402 20 0 FCADHO COc1nc(N(C)C[C@@H]2CCCN2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420630947 490002726 /nfs/dbraw/zinc/00/27/26/490002726.db2.gz FVXQEPZFEAABFE-GJZGRUSLSA-N 1 3 363.510 0.941 20 0 FCADHO COc1nc(N(C)C[C@@H]2CCCN2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420630947 490002729 /nfs/dbraw/zinc/00/27/29/490002729.db2.gz FVXQEPZFEAABFE-GJZGRUSLSA-N 1 3 363.510 0.941 20 0 FCADHO CC(C)[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)N1CCN(C)CC1 ZINC000436487941 490006572 /nfs/dbraw/zinc/00/65/72/490006572.db2.gz LWOXTCJCEAEHJQ-MRXNPFEDSA-N 1 3 365.526 0.838 20 0 FCADHO COCC1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000479201457 490072565 /nfs/dbraw/zinc/07/25/65/490072565.db2.gz GMMLWYCORWZSIT-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO [NH3+]C[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000479206668 490074312 /nfs/dbraw/zinc/07/43/12/490074312.db2.gz PUUVGQQVIRMRJC-KRWDZBQOSA-N 1 3 362.449 0.635 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815863 490089118 /nfs/dbraw/zinc/08/91/18/490089118.db2.gz YMWMXRBUPFWSED-JKSUJKDBSA-N 1 3 365.522 0.713 20 0 FCADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496333074 490114398 /nfs/dbraw/zinc/11/43/98/490114398.db2.gz RQLOUTWNEFNVJR-UHFFFAOYSA-N 1 3 367.538 0.071 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000465919293 490153153 /nfs/dbraw/zinc/15/31/53/490153153.db2.gz AJAJVUUSTRKCDJ-GOSISDBHSA-N 1 3 369.554 0.502 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556206797 491303139 /nfs/dbraw/zinc/30/31/39/491303139.db2.gz NXILGLPPOASTRR-CRAIPNDOSA-N 1 3 370.563 0.634 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556206797 491303140 /nfs/dbraw/zinc/30/31/40/491303140.db2.gz NXILGLPPOASTRR-CRAIPNDOSA-N 1 3 370.563 0.634 20 0 FCADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012274 490166397 /nfs/dbraw/zinc/16/63/97/490166397.db2.gz UDVWRPDELLQQBF-WMZOPIPTSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012274 490166400 /nfs/dbraw/zinc/16/64/00/490166400.db2.gz UDVWRPDELLQQBF-WMZOPIPTSA-N 1 3 358.486 0.835 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000497509692 490170522 /nfs/dbraw/zinc/17/05/22/490170522.db2.gz XIRSZFVANHTIMR-KRWDZBQOSA-N 1 3 357.568 0.703 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H](N)CC(F)F)c2)C1 ZINC000498209462 490273244 /nfs/dbraw/zinc/27/32/44/490273244.db2.gz YQKBMYMEWUMGCU-HUUCEWRRSA-N 1 3 368.428 0.983 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H](N)CC(F)F)c2)C1 ZINC000498209462 490273250 /nfs/dbraw/zinc/27/32/50/490273250.db2.gz YQKBMYMEWUMGCU-HUUCEWRRSA-N 1 3 368.428 0.983 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422374199 490285306 /nfs/dbraw/zinc/28/53/06/490285306.db2.gz CEEMCSMASCWNIE-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422374199 490285312 /nfs/dbraw/zinc/28/53/12/490285312.db2.gz CEEMCSMASCWNIE-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379268 490287834 /nfs/dbraw/zinc/28/78/34/490287834.db2.gz NUCMJYAYDSDULH-DLBZAZTESA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379268 490287837 /nfs/dbraw/zinc/28/78/37/490287837.db2.gz NUCMJYAYDSDULH-DLBZAZTESA-N 1 3 368.522 0.545 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483331376 490308579 /nfs/dbraw/zinc/30/85/79/490308579.db2.gz FUHZCZNQQCOMNA-BBWFWOEESA-N 1 3 368.522 0.545 20 0 FCADHO C[C@H]1CN(CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467707319 490333635 /nfs/dbraw/zinc/33/36/35/490333635.db2.gz XLLUDJAISJLAGQ-ZSNVMCELSA-N 1 3 351.491 0.807 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448322350 490334448 /nfs/dbraw/zinc/33/44/48/490334448.db2.gz QWLCTJJNQCZHMK-AWEZNQCLSA-N 1 3 364.494 0.620 20 0 FCADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000534266574 490338657 /nfs/dbraw/zinc/33/86/57/490338657.db2.gz NEOYOJCKYXBMAY-IBGZPJMESA-N 1 3 357.502 0.762 20 0 FCADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000534266574 490338660 /nfs/dbraw/zinc/33/86/60/490338660.db2.gz NEOYOJCKYXBMAY-IBGZPJMESA-N 1 3 357.502 0.762 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522443409 490378936 /nfs/dbraw/zinc/37/89/36/490378936.db2.gz DUGOFBKWCHSLCS-BBWFWOEESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000522443409 490378941 /nfs/dbraw/zinc/37/89/41/490378941.db2.gz DUGOFBKWCHSLCS-BBWFWOEESA-N 1 3 365.522 0.855 20 0 FCADHO CC1[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449820095 490429675 /nfs/dbraw/zinc/42/96/75/490429675.db2.gz UAZDKINKLGCIFI-LBTBCDHLSA-N 1 3 360.502 0.574 20 0 FCADHO CC1[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000449820095 490429686 /nfs/dbraw/zinc/42/96/86/490429686.db2.gz UAZDKINKLGCIFI-LBTBCDHLSA-N 1 3 360.502 0.574 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534963089 490430051 /nfs/dbraw/zinc/43/00/51/490430051.db2.gz SMBJPFYFQZXDCA-MRXNPFEDSA-N 1 3 365.478 0.542 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000556676592 491327229 /nfs/dbraw/zinc/32/72/29/491327229.db2.gz DJLTWPWRICFYKF-OAHLLOKOSA-N 1 3 366.481 0.997 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000509727066 490458079 /nfs/dbraw/zinc/45/80/79/490458079.db2.gz GYDKLSCTWDZWMX-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000509727066 490458086 /nfs/dbraw/zinc/45/80/86/490458086.db2.gz GYDKLSCTWDZWMX-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO CN1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693094 490486380 /nfs/dbraw/zinc/48/63/80/490486380.db2.gz VDDVHAMBFNXAJB-NEPJUHHUSA-N 1 3 351.476 0.601 20 0 FCADHO CN1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693094 490486385 /nfs/dbraw/zinc/48/63/85/490486385.db2.gz VDDVHAMBFNXAJB-NEPJUHHUSA-N 1 3 351.476 0.601 20 0 FCADHO C[C@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000523915385 490503845 /nfs/dbraw/zinc/50/38/45/490503845.db2.gz BLEYWHKRGNIVCE-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCCNCC3)c2)C1 ZINC000571864684 491333485 /nfs/dbraw/zinc/33/34/85/491333485.db2.gz GTKPFCAPIVXPNS-SFHVURJKSA-N 1 3 373.501 0.889 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCCNCC3)c2)C1 ZINC000571864684 491333488 /nfs/dbraw/zinc/33/34/88/491333488.db2.gz GTKPFCAPIVXPNS-SFHVURJKSA-N 1 3 373.501 0.889 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000556794334 491336792 /nfs/dbraw/zinc/33/67/92/491336792.db2.gz AAAUZIWGUZFNHR-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000525297484 490593499 /nfs/dbraw/zinc/59/34/99/490593499.db2.gz GRHFYYYBLWPSML-SJORKVTESA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000525297484 490593504 /nfs/dbraw/zinc/59/35/04/490593504.db2.gz GRHFYYYBLWPSML-SJORKVTESA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1nncn1C ZINC000550008540 490619150 /nfs/dbraw/zinc/61/91/50/490619150.db2.gz BYITYVNULSVBHW-HNNXBMFYSA-N 1 3 352.483 0.206 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1nncn1C ZINC000550008540 490619159 /nfs/dbraw/zinc/61/91/59/490619159.db2.gz BYITYVNULSVBHW-HNNXBMFYSA-N 1 3 352.483 0.206 20 0 FCADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000501610650 490623055 /nfs/dbraw/zinc/62/30/55/490623055.db2.gz FFOHCDOPIAMFLF-MRXNPFEDSA-N 1 3 354.495 0.062 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCN1C ZINC000486461227 490632253 /nfs/dbraw/zinc/63/22/53/490632253.db2.gz ANQVBKUVWVYTKW-IRXDYDNUSA-N 1 3 367.538 0.911 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCN1C ZINC000486461227 490632259 /nfs/dbraw/zinc/63/22/59/490632259.db2.gz ANQVBKUVWVYTKW-IRXDYDNUSA-N 1 3 367.538 0.911 20 0 FCADHO NC(=O)[C@@H](NCCCC[NH+]1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000512240448 490667164 /nfs/dbraw/zinc/66/71/64/490667164.db2.gz AUPBREVYUZTRTI-KRWDZBQOSA-N 1 3 352.454 0.332 20 0 FCADHO C[C@H]1CN(CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000565032786 491347131 /nfs/dbraw/zinc/34/71/31/491347131.db2.gz QIXLDNVOOUTCLP-GJZGRUSLSA-N 1 3 352.483 0.636 20 0 FCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512819732 490701180 /nfs/dbraw/zinc/70/11/80/490701180.db2.gz GXVORJYVHQETCO-QGZVFWFLSA-N 1 3 355.527 0.112 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000565098021 491353619 /nfs/dbraw/zinc/35/36/19/491353619.db2.gz IUWUVXXSRYESEV-UHFFFAOYSA-N 1 3 353.511 0.700 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000488676068 490771425 /nfs/dbraw/zinc/77/14/25/490771425.db2.gz POOQQPFEGIXBLM-MRXNPFEDSA-N 1 3 352.523 0.772 20 0 FCADHO O=C(CC(O)CC(=O)NCC[NH+]1CCCCC1)NCCN1CCCCC1 ZINC000539415346 490782615 /nfs/dbraw/zinc/78/26/15/490782615.db2.gz ZQDBIHQFBGBITQ-UHFFFAOYSA-N 1 3 368.522 0.332 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H]1c1ccccc1F ZINC000514725565 490784824 /nfs/dbraw/zinc/78/48/24/490784824.db2.gz MZKVDFNQJYJHBX-IVMMDQJWSA-N 1 3 358.421 0.736 20 0 FCADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000514737540 490785741 /nfs/dbraw/zinc/78/57/41/490785741.db2.gz XMTOXVMIHLYSOR-ULQDDVLXSA-N 1 3 359.474 0.113 20 0 FCADHO O=C(CNC(=O)C1CC[NH+](C2CC2)CC1)NCCN1CCCCCC1 ZINC000557129132 491355564 /nfs/dbraw/zinc/35/55/64/491355564.db2.gz QUTIVSAYPNBMKE-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000514798272 490789344 /nfs/dbraw/zinc/78/93/44/490789344.db2.gz ILYZSJCTTYOMMS-BZZMCLGOSA-N 1 3 371.485 0.775 20 0 FCADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000514798272 490789346 /nfs/dbraw/zinc/78/93/46/490789346.db2.gz ILYZSJCTTYOMMS-BZZMCLGOSA-N 1 3 371.485 0.775 20 0 FCADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156127 491356561 /nfs/dbraw/zinc/35/65/61/491356561.db2.gz IEELOITYNQCWHS-DZGCQCFKSA-N 1 3 368.503 0.194 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000515220037 490813978 /nfs/dbraw/zinc/81/39/78/490813978.db2.gz NQMNUQYIGPMKNE-KRWDZBQOSA-N 1 3 368.522 0.596 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000515673285 490835961 /nfs/dbraw/zinc/83/59/61/490835961.db2.gz SWRNKXRCKRQUGH-OWCLPIDISA-N 1 3 351.495 0.450 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000515673285 490835962 /nfs/dbraw/zinc/83/59/62/490835962.db2.gz SWRNKXRCKRQUGH-OWCLPIDISA-N 1 3 351.495 0.450 20 0 FCADHO CCNc1nc(NC[C@@H](C)N2CC[NH+](CC)CC2)nc(NC(C)(C)C)n1 ZINC000516170127 490854143 /nfs/dbraw/zinc/85/41/43/490854143.db2.gz BWJHUTDNPNVKMA-CQSZACIVSA-N 1 3 364.542 0.796 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000516508674 490866218 /nfs/dbraw/zinc/86/62/18/490866218.db2.gz MSUBAAWLOMEUQY-UHFFFAOYSA-N 1 3 356.511 0.402 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000516865148 490881702 /nfs/dbraw/zinc/88/17/02/490881702.db2.gz QQVXULMZBKGVKY-KRWDZBQOSA-N 1 3 374.489 0.188 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000516869107 490881998 /nfs/dbraw/zinc/88/19/98/490881998.db2.gz ACNAKJANKZPXFL-AWEZNQCLSA-N 1 3 360.462 0.030 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(C)(CO)CO)CC2)CC1 ZINC000516876334 490882950 /nfs/dbraw/zinc/88/29/50/490882950.db2.gz UPIQKMXXGTZROD-UHFFFAOYSA-N 1 3 355.523 0.632 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000516925152 490885278 /nfs/dbraw/zinc/88/52/78/490885278.db2.gz JRCDOSPDJUPXEC-UHFFFAOYSA-N 1 3 352.483 0.636 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000517703899 490917412 /nfs/dbraw/zinc/91/74/12/490917412.db2.gz VLIRTWVLKUAKMK-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703899 490917414 /nfs/dbraw/zinc/91/74/14/490917414.db2.gz VLIRTWVLKUAKMK-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966316 490926839 /nfs/dbraw/zinc/92/68/39/490926839.db2.gz VXZGMGHKEJAHLC-QZTJIDSGSA-N 1 3 371.485 0.388 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966316 490926841 /nfs/dbraw/zinc/92/68/41/490926841.db2.gz VXZGMGHKEJAHLC-QZTJIDSGSA-N 1 3 371.485 0.388 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000517998526 490927477 /nfs/dbraw/zinc/92/74/77/490927477.db2.gz YGNHREFEOARGIE-BRWVUGGUSA-N 1 3 366.506 0.081 20 0 FCADHO CN1CC[NH+](CCCCNC(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000531340608 490952978 /nfs/dbraw/zinc/95/29/78/490952978.db2.gz VEOIYVQJZYGQII-UHFFFAOYSA-N 1 3 367.538 0.520 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000543991939 490954743 /nfs/dbraw/zinc/95/47/43/490954743.db2.gz GWWJDQVNSKHWIQ-OAHLLOKOSA-N 1 3 369.506 0.613 20 0 FCADHO CN1CC[NH+](CCCCNC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000531394177 490955891 /nfs/dbraw/zinc/95/58/91/490955891.db2.gz DBHISMYAAIOWLE-SFHVURJKSA-N 1 3 367.538 0.378 20 0 FCADHO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]3CNCCO3)cc2)CC1 ZINC000519531485 490974199 /nfs/dbraw/zinc/97/41/99/490974199.db2.gz HWKISODSXVQWNK-SFHVURJKSA-N 1 3 362.474 0.947 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C(=O)NCC[C@H]3C)CC2)CC1 ZINC000519649367 490982014 /nfs/dbraw/zinc/98/20/14/490982014.db2.gz MMINNEWLGCLBAM-RHSMWYFYSA-N 1 3 350.507 0.824 20 0 FCADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018335 491956925 /nfs/dbraw/zinc/95/69/25/491956925.db2.gz ACKBACGUQXLNOM-ZBFHGGJFSA-N 1 3 367.490 0.677 20 0 FCADHO CCOC(=O)C1([C@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018332 491956989 /nfs/dbraw/zinc/95/69/89/491956989.db2.gz ACKBACGUQXLNOM-HOCLYGCPSA-N 1 3 367.490 0.677 20 0 FCADHO CN(C)C1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000569695185 491182464 /nfs/dbraw/zinc/18/24/64/491182464.db2.gz JWTDGTHROVHMQM-LJQANCHMSA-N 1 3 371.529 0.775 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372204 491372738 /nfs/dbraw/zinc/37/27/38/491372738.db2.gz JADKKFSOYBGPCR-HOTGVXAUSA-N 1 3 351.495 0.596 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540228 491383522 /nfs/dbraw/zinc/38/35/22/491383522.db2.gz MTCRJODAVWWSGM-RDJZCZTQSA-N 1 3 374.485 0.390 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565668537 491392522 /nfs/dbraw/zinc/39/25/22/491392522.db2.gz BPBCXQKIKSZAOI-OWCLPIDISA-N 1 3 351.495 0.308 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565668537 491392523 /nfs/dbraw/zinc/39/25/23/491392523.db2.gz BPBCXQKIKSZAOI-OWCLPIDISA-N 1 3 351.495 0.308 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCCO1 ZINC000557744011 491395860 /nfs/dbraw/zinc/39/58/60/491395860.db2.gz YCUGSWGQFITSOK-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCCO1 ZINC000557744011 491395863 /nfs/dbraw/zinc/39/58/63/491395863.db2.gz YCUGSWGQFITSOK-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565845408 491403411 /nfs/dbraw/zinc/40/34/11/491403411.db2.gz YPRGFACOUGSYAK-OAGGEKHMSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565845408 491403414 /nfs/dbraw/zinc/40/34/14/491403414.db2.gz YPRGFACOUGSYAK-OAGGEKHMSA-N 1 3 351.495 0.594 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000558007566 491408346 /nfs/dbraw/zinc/40/83/46/491408346.db2.gz VMNSCNPNWMLDAA-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000558007566 491408348 /nfs/dbraw/zinc/40/83/48/491408348.db2.gz VMNSCNPNWMLDAA-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000566199448 491424943 /nfs/dbraw/zinc/42/49/43/491424943.db2.gz WYRPVFZFJUZIGB-GBESFXJTSA-N 1 3 370.497 0.978 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CNCCO3)CCCC2)CC1 ZINC000573308093 491425202 /nfs/dbraw/zinc/42/52/02/491425202.db2.gz HBZBQGOJVZLARI-INIZCTEOSA-N 1 3 354.495 0.698 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566223851 491427251 /nfs/dbraw/zinc/42/72/51/491427251.db2.gz MMVCPNAOSOMQLX-JYJNAYRXSA-N 1 3 369.535 0.809 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000566396679 491440965 /nfs/dbraw/zinc/44/09/65/491440965.db2.gz FDYSPMWLZIVLNH-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000566396679 491440966 /nfs/dbraw/zinc/44/09/66/491440966.db2.gz FDYSPMWLZIVLNH-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496681 491448975 /nfs/dbraw/zinc/44/89/75/491448975.db2.gz SZUAQUZXLWUVCI-ROUUACIJSA-N 1 3 356.470 0.669 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512657 491450354 /nfs/dbraw/zinc/45/03/54/491450354.db2.gz NHIUZAAZISOZLG-MSOLQXFVSA-N 1 3 371.485 0.736 20 0 FCADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000660338989 493344140 /nfs/dbraw/zinc/34/41/40/493344140.db2.gz KLEUQJZAZGEEDS-UHFFFAOYSA-N 1 3 371.485 0.817 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000566739715 491464161 /nfs/dbraw/zinc/46/41/61/491464161.db2.gz IJSZTSWTFIAVRI-BZUAXINKSA-N 1 3 351.495 0.319 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000559386377 491469255 /nfs/dbraw/zinc/46/92/55/491469255.db2.gz JLVHELAXTAMWOY-UHFFFAOYSA-N 1 3 364.465 0.926 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574179960 491479522 /nfs/dbraw/zinc/47/95/22/491479522.db2.gz AIDAUNHAHAPEOM-OLMMMNRUSA-N 1 3 350.507 0.681 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2ncccc2c1 ZINC000574302630 491488011 /nfs/dbraw/zinc/48/80/11/491488011.db2.gz KMQYTUNENREYHC-UHFFFAOYSA-N 1 3 371.485 0.803 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000574326492 491489357 /nfs/dbraw/zinc/48/93/57/491489357.db2.gz CCPVVNVCZBBZES-SFHVURJKSA-N 1 3 374.533 0.589 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339807 491490401 /nfs/dbraw/zinc/49/04/01/491490401.db2.gz VYKHAWDRZRPJGL-PXNSSMCTSA-N 1 3 374.485 0.886 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339807 491490403 /nfs/dbraw/zinc/49/04/03/491490403.db2.gz VYKHAWDRZRPJGL-PXNSSMCTSA-N 1 3 374.485 0.886 20 0 FCADHO CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339809 491490470 /nfs/dbraw/zinc/49/04/70/491490470.db2.gz VYKHAWDRZRPJGL-XLIONFOSSA-N 1 3 374.485 0.886 20 0 FCADHO CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339809 491490472 /nfs/dbraw/zinc/49/04/72/491490472.db2.gz VYKHAWDRZRPJGL-XLIONFOSSA-N 1 3 374.485 0.886 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2ccccc2)CC1 ZINC000567372376 491502545 /nfs/dbraw/zinc/50/25/45/491502545.db2.gz BXGDFRSHYKWHOH-UHFFFAOYSA-N 1 3 360.502 0.786 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559866873 491506233 /nfs/dbraw/zinc/50/62/33/491506233.db2.gz GDSVPDMMPKYRNT-KDOFPFPSSA-N 1 3 370.563 0.777 20 0 FCADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000567480136 491508395 /nfs/dbraw/zinc/50/83/95/491508395.db2.gz BUXVTPGKJWOVQD-GJZGRUSLSA-N 1 3 358.486 0.869 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488051 491509471 /nfs/dbraw/zinc/50/94/71/491509471.db2.gz DNCJJRASMHPVFF-KBAYOESNSA-N 1 3 373.501 0.850 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488051 491509472 /nfs/dbraw/zinc/50/94/72/491509472.db2.gz DNCJJRASMHPVFF-KBAYOESNSA-N 1 3 373.501 0.850 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567522076 491511751 /nfs/dbraw/zinc/51/17/51/491511751.db2.gz FGOKQZCLOUVZKS-JKSUJKDBSA-N 1 3 353.511 0.603 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013079 491514464 /nfs/dbraw/zinc/51/44/64/491514464.db2.gz HXDOEQBEKARVHG-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CO[C@@]1(C)C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000574792635 491520598 /nfs/dbraw/zinc/52/05/98/491520598.db2.gz BNJYEMSRZSUCLO-KSSFIOAISA-N 1 3 356.511 0.258 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038292 491535386 /nfs/dbraw/zinc/53/53/86/491535386.db2.gz LTEHPTVZIYHRGJ-STQMWFEESA-N 1 3 351.417 0.558 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NCCCCN2CCN(C)CC2)CCCO1 ZINC000575198093 491545553 /nfs/dbraw/zinc/54/55/53/491545553.db2.gz LZKMGPVWNFGSIG-GOSISDBHSA-N 1 3 369.554 0.814 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCCCCN2CCN(C)CC2)CCCO1 ZINC000575198093 491545556 /nfs/dbraw/zinc/54/55/56/491545556.db2.gz LZKMGPVWNFGSIG-GOSISDBHSA-N 1 3 369.554 0.814 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000568057260 491550651 /nfs/dbraw/zinc/55/06/51/491550651.db2.gz YSAKHADJRLCGJR-UHFFFAOYSA-N 1 3 357.524 0.811 20 0 FCADHO CN(C)[C@@]1(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCSC1 ZINC000561052896 491572554 /nfs/dbraw/zinc/57/25/54/491572554.db2.gz XSBBFWXQFZMZLK-MRXNPFEDSA-N 1 3 365.507 0.445 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000561056680 491572734 /nfs/dbraw/zinc/57/27/34/491572734.db2.gz CDEHHMRVCOHOQM-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCCO1 ZINC000576027012 491576935 /nfs/dbraw/zinc/57/69/35/491576935.db2.gz IJTPNSXZNVZNRD-CVEARBPZSA-N 1 3 352.479 0.040 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000668420882 493351575 /nfs/dbraw/zinc/35/15/75/493351575.db2.gz NMELHVWMHKHFDB-HNNXBMFYSA-N 1 3 350.507 0.966 20 0 FCADHO Cc1nc(C)c(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000577090595 491588828 /nfs/dbraw/zinc/58/88/28/491588828.db2.gz AUIJQLFUFGMYAG-UHFFFAOYSA-N 1 3 355.508 0.328 20 0 FCADHO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000584495347 491597532 /nfs/dbraw/zinc/59/75/32/491597532.db2.gz COJOTSFWHJJWNB-JKSUJKDBSA-N 1 3 370.538 0.647 20 0 FCADHO CCc1cnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000576256396 491597967 /nfs/dbraw/zinc/59/79/67/491597967.db2.gz UYWKSCPMMBYDPW-UHFFFAOYSA-N 1 3 355.508 0.274 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000576293249 491602418 /nfs/dbraw/zinc/60/24/18/491602418.db2.gz NXJBPPATVIQWIU-QZTJIDSGSA-N 1 3 358.486 0.630 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000561677334 491624837 /nfs/dbraw/zinc/62/48/37/491624837.db2.gz VQZILEQNDMPMLD-MRXNPFEDSA-N 1 3 368.522 0.593 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000576599936 491628656 /nfs/dbraw/zinc/62/86/56/491628656.db2.gz QATSXGNYXZBCOP-SJLPKXTDSA-N 1 3 360.502 0.734 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1=CCN(C)CC1 ZINC000569171998 491639694 /nfs/dbraw/zinc/63/96/94/491639694.db2.gz NVEMWTAYGBOYNV-HNNXBMFYSA-N 1 3 366.506 0.058 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1=CCN(C)CC1 ZINC000569171998 491639698 /nfs/dbraw/zinc/63/96/98/491639698.db2.gz NVEMWTAYGBOYNV-HNNXBMFYSA-N 1 3 366.506 0.058 20 0 FCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569216068 491642571 /nfs/dbraw/zinc/64/25/71/491642571.db2.gz PHVACGQNKAFUCX-APWZRJJASA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000569266350 491647909 /nfs/dbraw/zinc/64/79/09/491647909.db2.gz UYHWOVYLYAIAFS-JKSUJKDBSA-N 1 3 354.495 0.012 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)CC1 ZINC000576847844 491649777 /nfs/dbraw/zinc/64/97/77/491649777.db2.gz YGLYAJXQEAETRC-UHFFFAOYSA-N 1 3 350.507 0.873 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000576957111 491660432 /nfs/dbraw/zinc/66/04/32/491660432.db2.gz KDBXFNLRPQYWFY-MRXNPFEDSA-N 1 3 364.490 0.446 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000578135030 491670707 /nfs/dbraw/zinc/67/07/07/491670707.db2.gz OCWSMVPUFNTORX-KRWDZBQOSA-N 1 3 363.510 0.363 20 0 FCADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313963 491674450 /nfs/dbraw/zinc/67/44/50/491674450.db2.gz GXTHYDAFZRFJAI-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313963 491674451 /nfs/dbraw/zinc/67/44/51/491674451.db2.gz GXTHYDAFZRFJAI-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000578497238 491678357 /nfs/dbraw/zinc/67/83/57/491678357.db2.gz IQKSYFWIOKCUJE-MSOLQXFVSA-N 1 3 362.518 0.921 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000578645095 491681680 /nfs/dbraw/zinc/68/16/80/491681680.db2.gz XOJVTNHPZIVZHD-IBGZPJMESA-N 1 3 359.518 0.850 20 0 FCADHO C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000578745404 491683395 /nfs/dbraw/zinc/68/33/95/491683395.db2.gz RZPZTIYCQWZCKE-WMZOPIPTSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210958 491693057 /nfs/dbraw/zinc/69/30/57/491693057.db2.gz ALFJKYFWFKXLOO-OALUTQOASA-N 1 3 359.518 0.848 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000579270089 491694356 /nfs/dbraw/zinc/69/43/56/491694356.db2.gz OKJRATFNBMJBFZ-HNNXBMFYSA-N 1 3 356.511 0.402 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000579270089 491694357 /nfs/dbraw/zinc/69/43/57/491694357.db2.gz OKJRATFNBMJBFZ-HNNXBMFYSA-N 1 3 356.511 0.402 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000579392503 491697020 /nfs/dbraw/zinc/69/70/20/491697020.db2.gz CSLMTZQDJMBMTO-IAGOWNOFSA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000579392503 491697021 /nfs/dbraw/zinc/69/70/21/491697021.db2.gz CSLMTZQDJMBMTO-IAGOWNOFSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@H]1C[NH3+] ZINC000579607393 491701405 /nfs/dbraw/zinc/70/14/05/491701405.db2.gz WEKDRAPBBJCHHV-ZACQAIPSSA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000579622552 491701971 /nfs/dbraw/zinc/70/19/71/491701971.db2.gz UHWVOEZGLDSMTB-SFHVURJKSA-N 1 3 368.547 0.531 20 0 FCADHO CN1CCN(C(=O)CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822368 491706089 /nfs/dbraw/zinc/70/60/89/491706089.db2.gz BMOMZYBHRAFHJS-PXNSSMCTSA-N 1 3 358.486 0.996 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584836162 491716466 /nfs/dbraw/zinc/71/64/66/491716466.db2.gz BDDFCUIASCTCDB-QAPCUYQASA-N 1 3 373.501 0.982 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCC1 ZINC000580114832 491718337 /nfs/dbraw/zinc/71/83/37/491718337.db2.gz JWWAULWORSPBBM-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580785573 491745777 /nfs/dbraw/zinc/74/57/77/491745777.db2.gz GHNXEPWEAVEGDK-DJIMGWMZSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580785573 491745778 /nfs/dbraw/zinc/74/57/78/491745778.db2.gz GHNXEPWEAVEGDK-DJIMGWMZSA-N 1 3 359.474 0.460 20 0 FCADHO CCO[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000581448337 491773368 /nfs/dbraw/zinc/77/33/68/491773368.db2.gz OGFQACCSCFDZKR-HOTGVXAUSA-N 1 3 368.522 0.402 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581883267 491788964 /nfs/dbraw/zinc/78/89/64/491788964.db2.gz UNZIGDRXODXJDI-CYBMUJFWSA-N 1 3 356.434 0.087 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000582110676 491798198 /nfs/dbraw/zinc/79/81/98/491798198.db2.gz HOSAQCTXLNNPGZ-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO NC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424161 491811884 /nfs/dbraw/zinc/81/18/84/491811884.db2.gz XQPCMTDQQAXODS-GOSISDBHSA-N 1 3 364.465 0.914 20 0 FCADHO NC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424161 491811885 /nfs/dbraw/zinc/81/18/85/491811885.db2.gz XQPCMTDQQAXODS-GOSISDBHSA-N 1 3 364.465 0.914 20 0 FCADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000582545763 491817100 /nfs/dbraw/zinc/81/71/00/491817100.db2.gz FSKJTKKOYDJRGG-WBVHZDCISA-N 1 3 367.457 0.952 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000582724544 491823798 /nfs/dbraw/zinc/82/37/98/491823798.db2.gz ZQOXPKZKFXYNLR-NRFANRHFSA-N 1 3 372.513 0.930 20 0 FCADHO COC(=O)c1cn(C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)nn1 ZINC000582846555 491829103 /nfs/dbraw/zinc/82/91/03/491829103.db2.gz VNCVPTPUGVSAKR-WMZOPIPTSA-N 1 3 373.457 0.633 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)CC(C)C ZINC000582976828 491835081 /nfs/dbraw/zinc/83/50/81/491835081.db2.gz UXYKILHHHPDOAE-ARFHVFGLSA-N 1 3 353.511 0.696 20 0 FCADHO [NH3+]CCCn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000583435526 491844680 /nfs/dbraw/zinc/84/46/80/491844680.db2.gz KHMSWGNWRGOWCQ-KRWDZBQOSA-N 1 3 372.473 0.648 20 0 FCADHO C[C@@H](CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584068487 491857903 /nfs/dbraw/zinc/85/79/03/491857903.db2.gz MSELISXCIKGOAD-MTXMZZOTSA-N 1 3 362.518 0.916 20 0 FCADHO C[C@H](CN[C@H]1CCC(=O)N[C@H]1C1CC1)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584068487 491857904 /nfs/dbraw/zinc/85/79/04/491857904.db2.gz MSELISXCIKGOAD-MTXMZZOTSA-N 1 3 362.518 0.916 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079035 491858099 /nfs/dbraw/zinc/85/80/99/491858099.db2.gz KYEPDXOWUHIFCU-DLTWYDFYSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079035 491858100 /nfs/dbraw/zinc/85/81/00/491858100.db2.gz KYEPDXOWUHIFCU-DLTWYDFYSA-N 1 3 350.507 0.822 20 0 FCADHO COC(=O)CCN1CC[C@H](N(C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391367 491927805 /nfs/dbraw/zinc/92/78/05/491927805.db2.gz IWXHIHCRAZZZBH-INIZCTEOSA-N 1 3 354.495 0.108 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612541012 491930798 /nfs/dbraw/zinc/93/07/98/491930798.db2.gz BLXURBFBLDAMOV-KRWDZBQOSA-N 1 3 350.507 0.825 20 0 FCADHO [NH3+]C1(CNC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000612917454 491958629 /nfs/dbraw/zinc/95/86/29/491958629.db2.gz WDKJWNYSWAQYRO-AWEZNQCLSA-N 1 3 361.494 0.590 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)CCCCN3CCOCC3)C2)CC1 ZINC000602201522 491968200 /nfs/dbraw/zinc/96/82/00/491968200.db2.gz QSCYJVGSNIMTHK-KRWDZBQOSA-N 1 3 352.523 0.774 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000605876069 492104214 /nfs/dbraw/zinc/10/42/14/492104214.db2.gz DGAAQCWQJVQTCK-KRWDZBQOSA-N 1 3 363.506 0.420 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000605876069 492104217 /nfs/dbraw/zinc/10/42/17/492104217.db2.gz DGAAQCWQJVQTCK-KRWDZBQOSA-N 1 3 363.506 0.420 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654450171 492305117 /nfs/dbraw/zinc/30/51/17/492305117.db2.gz DCRJCZKXNPRSLO-BRWVUGGUSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000654450171 492305120 /nfs/dbraw/zinc/30/51/20/492305120.db2.gz DCRJCZKXNPRSLO-BRWVUGGUSA-N 1 3 365.522 0.890 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000642094870 492334055 /nfs/dbraw/zinc/33/40/55/492334055.db2.gz IJNBANWHPZVJLA-KURKYZTESA-N 1 3 360.502 0.861 20 0 FCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CNCCC2(F)F)c1 ZINC000647703065 492347120 /nfs/dbraw/zinc/34/71/20/492347120.db2.gz KYELYULLSQLJRP-GFCCVEGCSA-N 1 3 362.402 0.107 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCO1 ZINC000642330478 492352356 /nfs/dbraw/zinc/35/23/56/492352356.db2.gz MBHYTLPLMJKQHB-KFWWJZLASA-N 1 3 354.495 0.188 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642373601 492356070 /nfs/dbraw/zinc/35/60/70/492356070.db2.gz RVIOQBIDOUMWKE-DJIMGWMZSA-N 1 3 362.474 0.103 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105066 492356654 /nfs/dbraw/zinc/35/66/54/492356654.db2.gz KPKLTDKCSJQXFQ-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105066 492356656 /nfs/dbraw/zinc/35/66/56/492356656.db2.gz KPKLTDKCSJQXFQ-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000642439520 492357558 /nfs/dbraw/zinc/35/75/58/492357558.db2.gz KITWCMPKWGOPDH-HNNXBMFYSA-N 1 3 354.495 0.333 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)C[C@@H]3C)CC2)CC1 ZINC000654831865 492357990 /nfs/dbraw/zinc/35/79/90/492357990.db2.gz OPROFEFTORYNPX-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000642540794 492362895 /nfs/dbraw/zinc/36/28/95/492362895.db2.gz OBMNMBSEDYNBIP-AWEZNQCLSA-N 1 3 364.515 0.945 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)CNCC3)nn1 ZINC000647809431 492363592 /nfs/dbraw/zinc/36/35/92/492363592.db2.gz CIKQVYKYEXXLDQ-DOTOQJQBSA-N 1 3 356.430 0.264 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640734 492369219 /nfs/dbraw/zinc/36/92/19/492369219.db2.gz PTFSXPVUZWAJAL-FGTMMUONSA-N 1 3 358.486 0.820 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640734 492369222 /nfs/dbraw/zinc/36/92/22/492369222.db2.gz PTFSXPVUZWAJAL-FGTMMUONSA-N 1 3 358.486 0.820 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640948 492369428 /nfs/dbraw/zinc/36/94/28/492369428.db2.gz PTJDFMFARRXVRT-RYQLBKOJSA-N 1 3 356.470 0.491 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640948 492369430 /nfs/dbraw/zinc/36/94/30/492369430.db2.gz PTJDFMFARRXVRT-RYQLBKOJSA-N 1 3 356.470 0.491 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000642685596 492372301 /nfs/dbraw/zinc/37/23/01/492372301.db2.gz OSLYKVFQIUBBAF-WMZOPIPTSA-N 1 3 374.485 0.454 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000642785678 492391464 /nfs/dbraw/zinc/39/14/64/492391464.db2.gz CTROOHISGBYRTL-FGTMMUONSA-N 1 3 374.460 0.679 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@](C)(C(N)=O)C3)CC2)CC1 ZINC000655045656 492395438 /nfs/dbraw/zinc/39/54/38/492395438.db2.gz NEGOITXQBPRXRJ-IBGZPJMESA-N 1 3 350.507 0.907 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000648105476 492399235 /nfs/dbraw/zinc/39/92/35/492399235.db2.gz BIWYMQSHFAMHCF-MJBXVCDLSA-N 1 3 358.433 0.338 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000642922022 492404972 /nfs/dbraw/zinc/40/49/72/492404972.db2.gz FGYKXMIUSAGGEO-SJLPKXTDSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000642958606 492406802 /nfs/dbraw/zinc/40/68/02/492406802.db2.gz ZIQXZYGYZWPJHF-CWRNSKLLSA-N 1 3 366.506 0.406 20 0 FCADHO CCC[C@H](O)[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655148208 492406855 /nfs/dbraw/zinc/40/68/55/492406855.db2.gz ZMQOJCRXOPSWFH-MSOLQXFVSA-N 1 3 355.523 0.821 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982000 492410120 /nfs/dbraw/zinc/41/01/20/492410120.db2.gz NFASKZQFSFJIOY-KRWDZBQOSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621841386 492423109 /nfs/dbraw/zinc/42/31/09/492423109.db2.gz UYZISIRUPUGUCQ-UZLBHIALSA-N 1 3 374.485 0.583 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O ZINC000621992151 492438377 /nfs/dbraw/zinc/43/83/77/492438377.db2.gz OAHHWEFAJLLYRS-KRWDZBQOSA-N 1 3 374.485 0.886 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O ZINC000621992151 492438380 /nfs/dbraw/zinc/43/83/80/492438380.db2.gz OAHHWEFAJLLYRS-KRWDZBQOSA-N 1 3 374.485 0.886 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2ccncc2)CC1 ZINC000643478995 492475234 /nfs/dbraw/zinc/47/52/34/492475234.db2.gz ZKBWVYHHZQZWFT-SJORKVTESA-N 1 3 371.485 0.578 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000643503478 492483919 /nfs/dbraw/zinc/48/39/19/492483919.db2.gz DKHLBUWGRXATCV-HZPDHXFCSA-N 1 3 350.507 0.907 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000643524375 492490159 /nfs/dbraw/zinc/49/01/59/492490159.db2.gz NUJNSKPPKYSXJC-GDBMZVCRSA-N 1 3 350.463 0.756 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000643531817 492490913 /nfs/dbraw/zinc/49/09/13/492490913.db2.gz NUZHLSKKONDHKA-GOSISDBHSA-N 1 3 358.486 0.917 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643544152 492495119 /nfs/dbraw/zinc/49/51/19/492495119.db2.gz RMAZXDWZFGIZIB-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643545301 492495829 /nfs/dbraw/zinc/49/58/29/492495829.db2.gz XKTCRTDNKNHFSY-TVFCKZIOSA-N 1 3 362.518 0.920 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)cc2C1 ZINC000655958929 492498049 /nfs/dbraw/zinc/49/80/49/492498049.db2.gz PMSHWKIRQNGQDA-FHLIZLRMSA-N 1 3 371.485 0.969 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)cc2C1 ZINC000655958933 492498199 /nfs/dbraw/zinc/49/81/99/492498199.db2.gz PMSHWKIRQNGQDA-OLMNPRSZSA-N 1 3 371.485 0.969 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CCO1 ZINC000643560507 492498335 /nfs/dbraw/zinc/49/83/35/492498335.db2.gz SQMMDZDCWXHNIM-ZFWWWQNUSA-N 1 3 368.503 0.213 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CCO1 ZINC000643560504 492498708 /nfs/dbraw/zinc/49/87/08/492498708.db2.gz SQMMDZDCWXHNIM-HIFRSBDPSA-N 1 3 368.503 0.213 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000643564583 492499975 /nfs/dbraw/zinc/49/99/75/492499975.db2.gz WHBRPCXGQVRQCW-LJQANCHMSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643586153 492500798 /nfs/dbraw/zinc/50/07/98/492500798.db2.gz YASHMLAAGAFITC-BPQIPLTHSA-N 1 3 358.486 0.915 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643594499 492503905 /nfs/dbraw/zinc/50/39/05/492503905.db2.gz IIPCVCANYRSFIZ-BBWFWOEESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643594501 492503951 /nfs/dbraw/zinc/50/39/51/492503951.db2.gz IIPCVCANYRSFIZ-ULQDDVLXSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc21 ZINC000635802742 492507704 /nfs/dbraw/zinc/50/77/04/492507704.db2.gz VEQBIUBQMJZZGD-GOSISDBHSA-N 1 3 361.446 0.100 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc21 ZINC000635802742 492507708 /nfs/dbraw/zinc/50/77/08/492507708.db2.gz VEQBIUBQMJZZGD-GOSISDBHSA-N 1 3 361.446 0.100 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc21 ZINC000635802743 492508073 /nfs/dbraw/zinc/50/80/73/492508073.db2.gz VEQBIUBQMJZZGD-SFHVURJKSA-N 1 3 361.446 0.100 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc21 ZINC000635802743 492508075 /nfs/dbraw/zinc/50/80/75/492508075.db2.gz VEQBIUBQMJZZGD-SFHVURJKSA-N 1 3 361.446 0.100 20 0 FCADHO CN(CCN1CC[NH2+]CC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000649272131 492516732 /nfs/dbraw/zinc/51/67/32/492516732.db2.gz GOJCZSCKGBEWHO-UHFFFAOYSA-N 1 3 359.518 0.562 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1N ZINC000628648717 492532770 /nfs/dbraw/zinc/53/27/70/492532770.db2.gz ZMHDDESGQLCQBX-HUUCEWRRSA-N 1 3 373.501 0.917 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)c1N ZINC000628648717 492532775 /nfs/dbraw/zinc/53/27/75/492532775.db2.gz ZMHDDESGQLCQBX-HUUCEWRRSA-N 1 3 373.501 0.917 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)ccc2[nH]c1=O ZINC000635999858 492537256 /nfs/dbraw/zinc/53/72/56/492537256.db2.gz WBMVIOYHEHZBLY-HALDLXJZSA-N 1 3 357.458 0.936 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)c2ccccc2O1 ZINC000649347132 492542760 /nfs/dbraw/zinc/54/27/60/492542760.db2.gz GPLCQUBAGKYHRS-CQSZACIVSA-N 1 3 358.446 0.986 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656304819 492579498 /nfs/dbraw/zinc/57/94/98/492579498.db2.gz ICBUIHUEHIDMTE-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629793572 492674092 /nfs/dbraw/zinc/67/40/92/492674092.db2.gz FZBVCSZFLHYFCX-STQMWFEESA-N 1 3 364.412 0.526 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629793568 492674428 /nfs/dbraw/zinc/67/44/28/492674428.db2.gz FZBVCSZFLHYFCX-OLZOCXBDSA-N 1 3 364.412 0.526 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629809277 492682968 /nfs/dbraw/zinc/68/29/68/492682968.db2.gz PBQAURXEOAWDKP-AVGNSLFASA-N 1 3 364.412 0.525 20 0 FCADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644339089 492714671 /nfs/dbraw/zinc/71/46/71/492714671.db2.gz VFBXBTQHMVNUIE-ZACQAIPSSA-N 1 3 354.495 0.384 20 0 FCADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644339089 492714675 /nfs/dbraw/zinc/71/46/75/492714675.db2.gz VFBXBTQHMVNUIE-ZACQAIPSSA-N 1 3 354.495 0.384 20 0 FCADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636960852 492738302 /nfs/dbraw/zinc/73/83/02/492738302.db2.gz NLSBLPDEHPVIKE-MAUKXSAKSA-N 1 3 361.490 0.973 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000637639696 492854085 /nfs/dbraw/zinc/85/40/85/492854085.db2.gz OPBKESAWIMNNIO-LBPRGKRZSA-N 1 3 365.404 0.516 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000658427172 492885686 /nfs/dbraw/zinc/88/56/86/492885686.db2.gz OAZMLNORWVJAKU-CQSZACIVSA-N 1 3 364.494 0.935 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000631928154 492889342 /nfs/dbraw/zinc/88/93/42/492889342.db2.gz ROIUNSKSPGSYOH-PBHICJAKSA-N 1 3 356.536 0.864 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)CCCN1CCCC1 ZINC000631931000 492890236 /nfs/dbraw/zinc/89/02/36/492890236.db2.gz DBTJFSVBMHMPRI-OAHLLOKOSA-N 1 3 360.524 0.122 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658449875 492898047 /nfs/dbraw/zinc/89/80/47/492898047.db2.gz KMAQNUKJOLENTB-SFHVURJKSA-N 1 3 360.502 0.782 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658449875 492898052 /nfs/dbraw/zinc/89/80/52/492898052.db2.gz KMAQNUKJOLENTB-SFHVURJKSA-N 1 3 360.502 0.782 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638134717 492914086 /nfs/dbraw/zinc/91/40/86/492914086.db2.gz OFJFHCKZBFJVLI-ADEWGFFLSA-N 1 3 354.405 0.963 20 0 FCADHO Cc1cccc(N2CCN(CCCCNC(=O)CN3CC[NH2+]CC3)CC2)c1 ZINC000638137810 492915881 /nfs/dbraw/zinc/91/58/81/492915881.db2.gz OKQQZIDWDMJODG-UHFFFAOYSA-N 1 3 373.545 0.919 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000658535218 492934828 /nfs/dbraw/zinc/93/48/28/492934828.db2.gz GLDWSCVWWKJNOC-QGZVFWFLSA-N 1 3 352.523 0.977 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]43)cc21 ZINC000638352853 492939583 /nfs/dbraw/zinc/93/95/83/492939583.db2.gz QXMYPRLMOZHLEX-JKSUJKDBSA-N 1 3 359.430 0.116 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000652624243 492972758 /nfs/dbraw/zinc/97/27/58/492972758.db2.gz DQQITZHEWOPKGU-HUUCEWRRSA-N 1 3 362.478 0.231 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000645786894 492974741 /nfs/dbraw/zinc/97/47/41/492974741.db2.gz IDWGFJFOAFNNEB-MSOLQXFVSA-N 1 3 358.486 0.883 20 0 FCADHO NS(=O)(=O)c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000638748042 492975281 /nfs/dbraw/zinc/97/52/81/492975281.db2.gz GSCCGVFNIZROTF-DLBZAZTESA-N 1 3 353.488 0.801 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000638752712 492975928 /nfs/dbraw/zinc/97/59/28/492975928.db2.gz NZCPJRSIBKBXEU-MRXNPFEDSA-N 1 3 362.478 0.464 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000645819328 492977763 /nfs/dbraw/zinc/97/77/63/492977763.db2.gz LCUQJUXZCFNMHO-GOSISDBHSA-N 1 3 362.478 0.328 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000645819328 492977768 /nfs/dbraw/zinc/97/77/68/492977768.db2.gz LCUQJUXZCFNMHO-GOSISDBHSA-N 1 3 362.478 0.328 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673254 492984881 /nfs/dbraw/zinc/98/48/81/492984881.db2.gz ITFIYNVKAPEIHK-OWCLPIDISA-N 1 3 352.523 0.975 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949242 492989275 /nfs/dbraw/zinc/98/92/75/492989275.db2.gz ZJUZUDVAKHYKFZ-QBPKDAKJSA-N 1 3 350.507 0.953 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693218 492992127 /nfs/dbraw/zinc/99/21/27/492992127.db2.gz PPEBSOJPAZSLQL-BBWFWOEESA-N 1 3 368.522 0.579 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002959 492999453 /nfs/dbraw/zinc/99/94/53/492999453.db2.gz LIIJMLYXPICOHG-MDZRGWNJSA-N 1 3 352.523 0.757 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002959 492999457 /nfs/dbraw/zinc/99/94/57/492999457.db2.gz LIIJMLYXPICOHG-MDZRGWNJSA-N 1 3 352.523 0.757 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652728368 493006505 /nfs/dbraw/zinc/00/65/05/493006505.db2.gz HOZLTBXFKOGGLL-ULQDDVLXSA-N 1 3 366.506 0.286 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000652731613 493009214 /nfs/dbraw/zinc/00/92/14/493009214.db2.gz PGRWNTKHODOMFZ-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO [NH3+]CCCn1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)nn1 ZINC000646112135 493014744 /nfs/dbraw/zinc/01/47/44/493014744.db2.gz IJCXQZZPQQLNNW-UHFFFAOYSA-N 1 3 372.473 0.514 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000658706909 493019240 /nfs/dbraw/zinc/01/92/40/493019240.db2.gz IQIJQTYAJQEWMB-OAHLLOKOSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646428267 493048402 /nfs/dbraw/zinc/04/84/02/493048402.db2.gz MBXKBDDYRGOQLW-HUUCEWRRSA-N 1 3 350.467 0.213 20 0 FCADHO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000626980306 493073431 /nfs/dbraw/zinc/07/34/31/493073431.db2.gz QNTRRZPSQBGULB-DLBZAZTESA-N 1 3 353.511 0.032 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1Cl ZINC000633027184 493105373 /nfs/dbraw/zinc/10/53/73/493105373.db2.gz LQIBPXDZIHNLNK-STQMWFEESA-N 1 3 366.849 0.792 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000633030927 493107281 /nfs/dbraw/zinc/10/72/81/493107281.db2.gz PAJBCZRZQSLOFZ-OKILXGFUSA-N 1 3 364.421 0.667 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258984 493120446 /nfs/dbraw/zinc/12/04/46/493120446.db2.gz KHOVYLVIEOKUOO-CMKODMSKSA-N 1 3 359.470 0.291 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258984 493120451 /nfs/dbraw/zinc/12/04/51/493120451.db2.gz KHOVYLVIEOKUOO-CMKODMSKSA-N 1 3 359.470 0.291 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000633102390 493126295 /nfs/dbraw/zinc/12/62/95/493126295.db2.gz SLDWFSMOEBZBNP-CALCHBBNSA-N 1 3 374.485 0.548 20 0 FCADHO CN(C)[C@H](CNC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000640836744 493134652 /nfs/dbraw/zinc/13/46/52/493134652.db2.gz IGBARVFFWDIURE-GOSISDBHSA-N 1 3 371.489 0.102 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091852 493162450 /nfs/dbraw/zinc/16/24/50/493162450.db2.gz QUKDIIDFQWCOBO-IXDOHACOSA-N 1 3 363.506 0.608 20 0 FCADHO C[NH+](C)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCCC1 ZINC000659434492 493176118 /nfs/dbraw/zinc/17/61/18/493176118.db2.gz NKJPOOZSVVNCJD-AWEZNQCLSA-N 1 3 350.467 0.951 20 0 FCADHO C[C@H]1CCC[C@@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659441497 493178224 /nfs/dbraw/zinc/17/82/24/493178224.db2.gz SYLHXYKRHMIVNZ-YVEFUNNKSA-N 1 3 350.467 0.951 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643175 493228457 /nfs/dbraw/zinc/22/84/57/493228457.db2.gz SKPMTMMECJKLMM-MRXNPFEDSA-N 1 3 367.538 0.070 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672727009 493241071 /nfs/dbraw/zinc/24/10/71/493241071.db2.gz UVPPNGQVEXYREJ-UHFFFAOYSA-N 1 3 369.554 0.502 20 0 FCADHO CN(C)CCOc1cc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)ccn1 ZINC000659679522 493247724 /nfs/dbraw/zinc/24/77/24/493247724.db2.gz KRKTYMLRQOQKDY-UHFFFAOYSA-N 1 3 363.462 0.026 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000659687752 493253612 /nfs/dbraw/zinc/25/36/12/493253612.db2.gz ZYQHOKLGNOGLPJ-KBPBESRZSA-N 1 3 352.504 0.800 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1=CCN(C)CC1 ZINC000659700928 493261458 /nfs/dbraw/zinc/26/14/58/493261458.db2.gz ASKKLNDZJVNRRB-YJBOKZPZSA-N 1 3 362.518 0.991 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659712385 493267816 /nfs/dbraw/zinc/26/78/16/493267816.db2.gz JANVMNHPWVXOMI-QGZVFWFLSA-N 1 3 359.474 0.278 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720157 493270782 /nfs/dbraw/zinc/27/07/82/493270782.db2.gz ATBIKCQPYIJKGR-MAUKXSAKSA-N 1 3 373.501 0.667 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659726914 493274428 /nfs/dbraw/zinc/27/44/28/493274428.db2.gz CQSLHGKBZGHEMV-YJBOKZPZSA-N 1 3 373.501 0.606 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CCO1 ZINC000667403050 493283068 /nfs/dbraw/zinc/28/30/68/493283068.db2.gz RRLLBAOMQQQQNB-CZUORRHYSA-N 1 3 364.446 0.140 20 0 FCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000667583574 493290769 /nfs/dbraw/zinc/29/07/69/493290769.db2.gz AIJNELMEZMCDHH-KBPBESRZSA-N 1 3 366.437 0.854 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000668302258 493329625 /nfs/dbraw/zinc/32/96/25/493329625.db2.gz CITCCBDTUUMTHO-KGLIPLIRSA-N 1 3 369.428 0.922 20 0 FCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538065 493372842 /nfs/dbraw/zinc/37/28/42/493372842.db2.gz SHWUJDKNAUPNJX-INIZCTEOSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000668584450 493379542 /nfs/dbraw/zinc/37/95/42/493379542.db2.gz CULXDOTYPZZEPT-GVDBMIGSSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000668584450 493379545 /nfs/dbraw/zinc/37/95/45/493379545.db2.gz CULXDOTYPZZEPT-GVDBMIGSSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668777300 493409126 /nfs/dbraw/zinc/40/91/26/493409126.db2.gz USJRVBBIALVYSU-HOCLYGCPSA-N 1 3 354.495 0.202 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668777300 493409128 /nfs/dbraw/zinc/40/91/28/493409128.db2.gz USJRVBBIALVYSU-HOCLYGCPSA-N 1 3 354.495 0.202 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668796009 493412834 /nfs/dbraw/zinc/41/28/34/493412834.db2.gz IWBFQPJVBVVVIU-IAGOWNOFSA-N 1 3 366.506 0.347 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000668827638 493416671 /nfs/dbraw/zinc/41/66/71/493416671.db2.gz KTCFNFZBEIIUHW-MRXNPFEDSA-N 1 3 366.506 0.348 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661508788 493443098 /nfs/dbraw/zinc/44/30/98/493443098.db2.gz QHLNOAQMZQEIAI-INIZCTEOSA-N 1 3 365.522 0.809 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661508788 493443099 /nfs/dbraw/zinc/44/30/99/493443099.db2.gz QHLNOAQMZQEIAI-INIZCTEOSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661598081 493449422 /nfs/dbraw/zinc/44/94/22/493449422.db2.gz ODGPNRUCBLKULX-HSFUPAIVSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661598081 493449426 /nfs/dbraw/zinc/44/94/26/493449426.db2.gz ODGPNRUCBLKULX-HSFUPAIVSA-N 1 3 362.518 0.966 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000661662977 493456164 /nfs/dbraw/zinc/45/61/64/493456164.db2.gz JFXBBXAHCYZTOT-VQIMIIECSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)CCO1 ZINC000669139231 493467092 /nfs/dbraw/zinc/46/70/92/493467092.db2.gz SGWZOEQMGKPLFU-PBHICJAKSA-N 1 3 350.463 0.885 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252447 493483275 /nfs/dbraw/zinc/48/32/75/493483275.db2.gz LMJXWXBMGUSFEE-HOTGVXAUSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252447 493483277 /nfs/dbraw/zinc/48/32/77/493483277.db2.gz LMJXWXBMGUSFEE-HOTGVXAUSA-N 1 3 368.522 0.593 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000669285562 493489613 /nfs/dbraw/zinc/48/96/13/493489613.db2.gz BRULUOXSCNFGFJ-KRWDZBQOSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CCO1 ZINC000669426356 493502935 /nfs/dbraw/zinc/50/29/35/493502935.db2.gz WKJZNWYFYMBYNV-RHSMWYFYSA-N 1 3 350.463 0.885 20 0 FCADHO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+]C2(CO)CCNCC2)cc1 ZINC000662287371 493503333 /nfs/dbraw/zinc/50/33/33/493503333.db2.gz YYALLGQKJLWGFP-UHFFFAOYSA-N 1 3 369.487 0.513 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000669452516 493504209 /nfs/dbraw/zinc/50/42/09/493504209.db2.gz HIMLSUWOSIXXDL-KRWDZBQOSA-N 1 3 361.490 0.919 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669444089 493504318 /nfs/dbraw/zinc/50/43/18/493504318.db2.gz YOIJXFYDSFVNSS-OAGGEKHMSA-N 1 3 351.495 0.323 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294459 493504362 /nfs/dbraw/zinc/50/43/62/493504362.db2.gz WITZTXSGBGEKBA-MAUKXSAKSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H](CN1CCOCC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337599 493507403 /nfs/dbraw/zinc/50/74/03/493507403.db2.gz LUOQFZRUUKUXTM-SJORKVTESA-N 1 3 362.522 0.719 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000662423732 493514821 /nfs/dbraw/zinc/51/48/21/493514821.db2.gz QIJHTZQNCZAEOG-UHFFFAOYSA-N 1 3 372.473 0.887 20 0 FCADHO [NH3+]CCn1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)nn1 ZINC000662446743 493516166 /nfs/dbraw/zinc/51/61/66/493516166.db2.gz PEWJVOKAVZJJNR-UHFFFAOYSA-N 1 3 358.446 0.124 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662451429 493516769 /nfs/dbraw/zinc/51/67/69/493516769.db2.gz AMVHXHVGIODADK-UHFFFAOYSA-N 1 3 364.494 0.822 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662659325 493530419 /nfs/dbraw/zinc/53/04/19/493530419.db2.gz SBKFJMHMMNBDCB-QZTJIDSGSA-N 1 3 358.486 0.630 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662930384 493555416 /nfs/dbraw/zinc/55/54/16/493555416.db2.gz PMZDFMYCMOUZNG-UHFFFAOYSA-N 1 3 352.454 0.912 20 0 FCADHO O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000662931025 493555898 /nfs/dbraw/zinc/55/58/98/493555898.db2.gz ZFOXGXHBULYUOC-QZTJIDSGSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662946841 493558957 /nfs/dbraw/zinc/55/89/57/493558957.db2.gz DEENMCNPEMHWPG-MOPGFXCFSA-N 1 3 372.513 0.972 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662950028 493559400 /nfs/dbraw/zinc/55/94/00/493559400.db2.gz FMQPKBJSSSYQCG-QZTJIDSGSA-N 1 3 358.486 0.582 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000662949956 493559457 /nfs/dbraw/zinc/55/94/57/493559457.db2.gz ZPWXONOOPAZFNJ-QZTJIDSGSA-N 1 3 358.486 0.712 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000662947995 493559509 /nfs/dbraw/zinc/55/95/09/493559509.db2.gz DVPZSCFAKXZUNA-QZTJIDSGSA-N 1 3 358.486 0.712 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662951081 493559809 /nfs/dbraw/zinc/55/98/09/493559809.db2.gz HYERNXVLSGPFEV-RBUKOAKNSA-N 1 3 372.513 0.830 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000662951547 493559990 /nfs/dbraw/zinc/55/99/90/493559990.db2.gz LSNDDAHCRGJTJE-NQIIRXRSSA-N 1 3 372.513 0.959 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000662953549 493560101 /nfs/dbraw/zinc/56/01/01/493560101.db2.gz KHAKSASESKBNSK-MSOLQXFVSA-N 1 3 358.486 0.569 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662950530 493560114 /nfs/dbraw/zinc/56/01/14/493560114.db2.gz MRBNFLBHGRIRFM-NEWSRXKRSA-N 1 3 372.513 0.958 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000662984440 493563806 /nfs/dbraw/zinc/56/38/06/493563806.db2.gz RHKPULKWWDJEDY-PVAVHDDUSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000662984440 493563809 /nfs/dbraw/zinc/56/38/09/493563809.db2.gz RHKPULKWWDJEDY-PVAVHDDUSA-N 1 3 350.507 0.763 20 0 FCADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016836 493566645 /nfs/dbraw/zinc/56/66/45/493566645.db2.gz GHLIODCZUGSYMJ-CVEARBPZSA-N 1 3 372.517 0.915 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C(C)C ZINC000670503929 493575663 /nfs/dbraw/zinc/57/56/63/493575663.db2.gz KSRQYWPPMIPLAF-UHFFFAOYSA-N 1 3 361.490 0.965 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000676997446 493581360 /nfs/dbraw/zinc/58/13/60/493581360.db2.gz YGXLPNSVAWDFDJ-SFHVURJKSA-N 1 3 366.462 0.124 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000663678576 493611750 /nfs/dbraw/zinc/61/17/50/493611750.db2.gz QDYYQUIRQVNPAB-UHFFFAOYSA-N 1 3 363.506 0.910 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000670997129 493621952 /nfs/dbraw/zinc/62/19/52/493621952.db2.gz BYXRFYBOWWXKDV-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981209 493628664 /nfs/dbraw/zinc/62/86/64/493628664.db2.gz ZLJJLYCSBWHWPB-FHWLQOOXSA-N 1 3 360.502 0.867 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000663981209 493628665 /nfs/dbraw/zinc/62/86/65/493628665.db2.gz ZLJJLYCSBWHWPB-FHWLQOOXSA-N 1 3 360.502 0.867 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000671170707 493645092 /nfs/dbraw/zinc/64/50/92/493645092.db2.gz FILMEWNNNGAACX-MRXNPFEDSA-N 1 3 359.474 0.578 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664394780 493657315 /nfs/dbraw/zinc/65/73/15/493657315.db2.gz CXUNDQFHKGUBHE-INIZCTEOSA-N 1 3 355.527 0.626 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664394780 493657318 /nfs/dbraw/zinc/65/73/18/493657318.db2.gz CXUNDQFHKGUBHE-INIZCTEOSA-N 1 3 355.527 0.626 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000671376309 493662076 /nfs/dbraw/zinc/66/20/76/493662076.db2.gz GAKZRVLYIMAUGG-UHFFFAOYSA-N 1 3 359.474 0.578 20 0 FCADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236405 493706306 /nfs/dbraw/zinc/70/63/06/493706306.db2.gz LWOYKRWCKRMBQG-DRZSPHRISA-N 1 3 371.279 0.916 20 0 FCADHO CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665639885 493729313 /nfs/dbraw/zinc/72/93/13/493729313.db2.gz HSGKNJGAQFJVIN-HOTGVXAUSA-N 1 3 355.527 0.959 20 0 FCADHO CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665639885 493729314 /nfs/dbraw/zinc/72/93/14/493729314.db2.gz HSGKNJGAQFJVIN-HOTGVXAUSA-N 1 3 355.527 0.959 20 0 FCADHO CN(C)CCn1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000666239013 493763757 /nfs/dbraw/zinc/76/37/57/493763757.db2.gz MUMBWALSGQFJSW-MRXNPFEDSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1cc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000666239013 493763758 /nfs/dbraw/zinc/76/37/58/493763758.db2.gz MUMBWALSGQFJSW-MRXNPFEDSA-N 1 3 350.467 0.508 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031258 529057825 /nfs/dbraw/zinc/05/78/25/529057825.db2.gz SLFXIRNNIXEDIX-APWZRJJASA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031258 529057827 /nfs/dbraw/zinc/05/78/27/529057827.db2.gz SLFXIRNNIXEDIX-APWZRJJASA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795831 529071289 /nfs/dbraw/zinc/07/12/89/529071289.db2.gz SOHBIMPCQQNSLQ-OWCLPIDISA-N 1 3 354.495 0.996 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795831 529071297 /nfs/dbraw/zinc/07/12/97/529071297.db2.gz SOHBIMPCQQNSLQ-OWCLPIDISA-N 1 3 354.495 0.996 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000419538517 536543065 /nfs/dbraw/zinc/54/30/65/536543065.db2.gz OZNWWSYYZCBMOC-GDBMZVCRSA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419698581 535071920 /nfs/dbraw/zinc/07/19/20/535071920.db2.gz PVONFDVJTRUNSV-OAGGEKHMSA-N 1 3 368.522 0.842 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419698581 535071923 /nfs/dbraw/zinc/07/19/23/535071923.db2.gz PVONFDVJTRUNSV-OAGGEKHMSA-N 1 3 368.522 0.842 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CC1 ZINC000415351456 535204605 /nfs/dbraw/zinc/20/46/05/535204605.db2.gz IBHJPTUTOOCDEV-HNNXBMFYSA-N 1 3 359.474 0.715 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419771664 535297015 /nfs/dbraw/zinc/29/70/15/535297015.db2.gz YHJYJLHRHBSEBJ-DOTOQJQBSA-N 1 3 364.465 0.927 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419771664 535297020 /nfs/dbraw/zinc/29/70/20/535297020.db2.gz YHJYJLHRHBSEBJ-DOTOQJQBSA-N 1 3 364.465 0.927 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419577972 535478032 /nfs/dbraw/zinc/47/80/32/535478032.db2.gz DLMBMYUJZHBJHT-QGZVFWFLSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860235 535594620 /nfs/dbraw/zinc/59/46/20/535594620.db2.gz KRCWEYSHQZYXNF-ZWKOTPCHSA-N 1 3 373.501 0.748 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846085 535596671 /nfs/dbraw/zinc/59/66/71/535596671.db2.gz RALJRHKPVJASSG-MSOLQXFVSA-N 1 3 373.501 0.763 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419896496 535597214 /nfs/dbraw/zinc/59/72/14/535597214.db2.gz XSKWGIPFJRAQOW-SJORKVTESA-N 1 3 359.474 0.373 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000423436283 535715492 /nfs/dbraw/zinc/71/54/92/535715492.db2.gz SIVXWLJQYDBGNL-DLBZAZTESA-N 1 3 364.465 0.879 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453739756 535894452 /nfs/dbraw/zinc/89/44/52/535894452.db2.gz GKMSKMGHRAAVPK-QGZVFWFLSA-N 1 3 362.474 0.868 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419773071 535895368 /nfs/dbraw/zinc/89/53/68/535895368.db2.gz IPLJRQJGWYHMCE-CVEARBPZSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000419663814 535902568 /nfs/dbraw/zinc/90/25/68/535902568.db2.gz QUSWIPTWAOTGML-MRXNPFEDSA-N 1 3 362.474 0.235 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419224527 535904442 /nfs/dbraw/zinc/90/44/42/535904442.db2.gz ZRHIJXKACJUMDJ-WBVHZDCISA-N 1 3 360.458 0.064 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1F ZINC000415322406 535906650 /nfs/dbraw/zinc/90/66/50/535906650.db2.gz ZEUJHWIQDNGNBB-CYBMUJFWSA-N 1 3 352.410 0.573 20 0 FCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000423574682 535960460 /nfs/dbraw/zinc/96/04/60/535960460.db2.gz XKZVPPHLTFNKFI-UKPHBRMFSA-N 1 3 362.449 0.489 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582084 536141336 /nfs/dbraw/zinc/14/13/36/536141336.db2.gz JXUUNWFVRONQHM-QAPCUYQASA-N 1 3 368.547 0.531 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423368843 536355014 /nfs/dbraw/zinc/35/50/14/536355014.db2.gz NRLSZZJYPASEIY-CQSZACIVSA-N 1 3 352.504 0.849 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@H](CN)C1 ZINC000423671758 536652065 /nfs/dbraw/zinc/65/20/65/536652065.db2.gz NMRFHUIMGPJFGA-JKSUJKDBSA-N 1 3 356.511 0.528 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423721120 536775630 /nfs/dbraw/zinc/77/56/30/536775630.db2.gz ONZCZOVUTCHGAP-HNNXBMFYSA-N 1 3 356.511 0.389 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423721120 536775634 /nfs/dbraw/zinc/77/56/34/536775634.db2.gz ONZCZOVUTCHGAP-HNNXBMFYSA-N 1 3 356.511 0.389 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cn1 ZINC000329164656 546549318 /nfs/dbraw/zinc/54/93/18/546549318.db2.gz GYTRSGLOEZRHNQ-HOTGVXAUSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164656 546549321 /nfs/dbraw/zinc/54/93/21/546549321.db2.gz GYTRSGLOEZRHNQ-HOTGVXAUSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164656 546549326 /nfs/dbraw/zinc/54/93/26/546549326.db2.gz GYTRSGLOEZRHNQ-HOTGVXAUSA-N 1 3 367.519 0.790 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940995 547075813 /nfs/dbraw/zinc/07/58/13/547075813.db2.gz RFRLFXVNHYAUCX-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000549940995 547075814 /nfs/dbraw/zinc/07/58/14/547075814.db2.gz RFRLFXVNHYAUCX-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1 ZINC000549966120 547075825 /nfs/dbraw/zinc/07/58/25/547075825.db2.gz YJFAZQUYSAIYOB-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCCCC1 ZINC000549966120 547075828 /nfs/dbraw/zinc/07/58/28/547075828.db2.gz YJFAZQUYSAIYOB-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550658346 547094661 /nfs/dbraw/zinc/09/46/61/547094661.db2.gz JWADJXPBASADIM-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C ZINC000550840958 547110907 /nfs/dbraw/zinc/11/09/07/547110907.db2.gz XXBKAQOWWKWLKW-VKJFTORMSA-N 1 3 370.563 0.871 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C ZINC000550840958 547110912 /nfs/dbraw/zinc/11/09/12/547110912.db2.gz XXBKAQOWWKWLKW-VKJFTORMSA-N 1 3 370.563 0.871 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550903875 547114464 /nfs/dbraw/zinc/11/44/64/547114464.db2.gz LARHLENHJVOUFE-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550903875 547114467 /nfs/dbraw/zinc/11/44/67/547114467.db2.gz LARHLENHJVOUFE-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCSC1 ZINC000551213349 547134096 /nfs/dbraw/zinc/13/40/96/547134096.db2.gz OGCKWNQZRKAKLA-GOSISDBHSA-N 1 3 370.563 0.730 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N(C)C1CC1 ZINC000553037942 547248949 /nfs/dbraw/zinc/24/89/49/547248949.db2.gz MLGIRJBDMDFTPW-ZBFHGGJFSA-N 1 3 350.507 0.776 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553699623 547300383 /nfs/dbraw/zinc/30/03/83/547300383.db2.gz BBJBFGVXRWNMAC-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000553699623 547300390 /nfs/dbraw/zinc/30/03/90/547300390.db2.gz BBJBFGVXRWNMAC-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO C[NH+](C)CC1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000825859083 607539060 /nfs/dbraw/zinc/53/90/60/607539060.db2.gz CKDARSVYCZYLOC-ROKHWSDSSA-N 1 3 359.482 0.815 20 0 FCADHO C[NH+](C)CC1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000825859083 607539062 /nfs/dbraw/zinc/53/90/62/607539062.db2.gz CKDARSVYCZYLOC-ROKHWSDSSA-N 1 3 359.482 0.815 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC000989393877 665745386 /nfs/dbraw/zinc/74/53/86/665745386.db2.gz DYMNNBOSVDTGOF-BQJWPVKWSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC000989393877 665745388 /nfs/dbraw/zinc/74/53/88/665745388.db2.gz DYMNNBOSVDTGOF-BQJWPVKWSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CN(CCCO)C1 ZINC000969687397 663188994 /nfs/dbraw/zinc/18/89/94/663188994.db2.gz NRLONHZIVJQHPU-QGTPRVQTSA-N 1 3 353.507 0.552 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973267753 664092132 /nfs/dbraw/zinc/09/21/32/664092132.db2.gz CPLWEYHJMTZEPW-WRQOLXDDSA-N 1 3 350.507 0.963 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973267753 664092137 /nfs/dbraw/zinc/09/21/37/664092137.db2.gz CPLWEYHJMTZEPW-WRQOLXDDSA-N 1 3 350.507 0.963 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027417490 664399240 /nfs/dbraw/zinc/39/92/40/664399240.db2.gz ZUNZMMFKTMHWKU-OWCLPIDISA-N 1 3 351.495 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027417490 664399244 /nfs/dbraw/zinc/39/92/44/664399244.db2.gz ZUNZMMFKTMHWKU-OWCLPIDISA-N 1 3 351.495 0.275 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000728793990 665166033 /nfs/dbraw/zinc/16/60/33/665166033.db2.gz VCZRFGYUFUKDMA-INIZCTEOSA-N 1 3 369.579 0.831 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000728793990 665166036 /nfs/dbraw/zinc/16/60/36/665166036.db2.gz VCZRFGYUFUKDMA-INIZCTEOSA-N 1 3 369.579 0.831 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000985439748 665167429 /nfs/dbraw/zinc/16/74/29/665167429.db2.gz YSQFFIRKDLNDAU-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000985439748 665167431 /nfs/dbraw/zinc/16/74/31/665167431.db2.gz YSQFFIRKDLNDAU-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000897480389 665292252 /nfs/dbraw/zinc/29/22/52/665292252.db2.gz YQXNDYVOBCKARN-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000897480389 665292254 /nfs/dbraw/zinc/29/22/54/665292254.db2.gz YQXNDYVOBCKARN-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCSC1 ZINC000911201105 666322809 /nfs/dbraw/zinc/32/28/09/666322809.db2.gz WMZJGZHHEOKHGI-IIDMSEBBSA-N 1 3 362.499 0.281 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@]3(C)CO)CC2)CC1 ZINC000912658027 666465382 /nfs/dbraw/zinc/46/53/82/666465382.db2.gz NILFYIWEUIMKEO-IEBWSBKVSA-N 1 3 353.507 0.527 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC000944076531 666828879 /nfs/dbraw/zinc/82/88/79/666828879.db2.gz XVIIXFBFQGFBNK-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC000944076531 666828884 /nfs/dbraw/zinc/82/88/84/666828884.db2.gz XVIIXFBFQGFBNK-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)OCC[C@H](O)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378447 667829523 /nfs/dbraw/zinc/82/95/23/667829523.db2.gz CKIXSMWVFRDNOY-ULQDDVLXSA-N 1 3 354.495 0.383 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000946907472 667840562 /nfs/dbraw/zinc/84/05/62/667840562.db2.gz CJMYMSQVUBAXPQ-ZMSDIMECSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000946907472 667840564 /nfs/dbraw/zinc/84/05/64/667840564.db2.gz CJMYMSQVUBAXPQ-ZMSDIMECSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000761073713 667875866 /nfs/dbraw/zinc/87/58/66/667875866.db2.gz HDRXEKCIWOMZJI-KRWDZBQOSA-N 1 3 352.523 0.774 20 0 FCADHO C[C@H]1CN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000761073713 667875870 /nfs/dbraw/zinc/87/58/70/667875870.db2.gz HDRXEKCIWOMZJI-KRWDZBQOSA-N 1 3 352.523 0.774 20 0 FCADHO CN1CCN(CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1(C)C ZINC000819288324 668994840 /nfs/dbraw/zinc/99/48/40/668994840.db2.gz XOGUATBPMSDJNE-GOSISDBHSA-N 1 3 358.527 0.878 20 0 FCADHO Cc1cc(Cl)nc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000807560725 669500288 /nfs/dbraw/zinc/50/02/88/669500288.db2.gz WGVFDLDQTNFQTP-UHFFFAOYSA-N 1 3 369.897 0.611 20 0 FCADHO CN(CCCN(C)CC(=O)N1CCC2(CC1)OCCO2)CC[NH+](C)C ZINC000808781466 669586165 /nfs/dbraw/zinc/58/61/65/669586165.db2.gz HRKOZQBTPCIYLI-UHFFFAOYSA-N 1 3 356.511 0.167 20 0 FCADHO CN(C)Cc1cnc(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000843047562 670770613 /nfs/dbraw/zinc/77/06/13/670770613.db2.gz WNSJJUYWOFCNCN-CQSZACIVSA-N 1 3 351.520 0.849 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362935 670807772 /nfs/dbraw/zinc/80/77/72/670807772.db2.gz VIUDKVBIKSIWMR-STQMWFEESA-N 1 3 351.451 0.332 20 0 FCADHO CCOC(=O)N1CCC(NC(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843364793 670808532 /nfs/dbraw/zinc/80/85/32/670808532.db2.gz SUOXNAMJQRIGMO-UHFFFAOYSA-N 1 3 352.479 0.799 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364947 670808570 /nfs/dbraw/zinc/80/85/70/670808570.db2.gz WZKPHDGTSUUJIV-QWHCGFSZSA-N 1 3 351.451 0.332 20 0 FCADHO CCS(=O)(=O)N(C)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903729420 675964532 /nfs/dbraw/zinc/96/45/32/675964532.db2.gz MPPFPRDBFVKFKR-MRXNPFEDSA-N 1 3 359.536 0.891 20 0 FCADHO CCN(CC)C(=O)CN1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733098 675964928 /nfs/dbraw/zinc/96/49/28/675964928.db2.gz JQLIACUGTIALHE-MJGOQNOKSA-N 1 3 352.523 0.631 20 0 FCADHO CN1CCN(C[C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740727 675965945 /nfs/dbraw/zinc/96/59/45/675965945.db2.gz KJFKOOVYJJJMHD-ZWKOTPCHSA-N 1 3 352.523 0.093 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000863710651 672148037 /nfs/dbraw/zinc/14/80/37/672148037.db2.gz XWIYWPYDBNLKSL-CQSZACIVSA-N 1 3 354.495 0.707 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402677 673012982 /nfs/dbraw/zinc/01/29/82/673012982.db2.gz HWJONLHLLJAFRR-HOTGVXAUSA-N 1 3 350.507 0.825 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(S(N)(=O)=O)c1 ZINC000877521721 673017932 /nfs/dbraw/zinc/01/79/32/673017932.db2.gz BAVFSDCMWRYUFH-UHFFFAOYSA-N 1 3 354.520 0.792 20 0 FCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)COCCO2 ZINC000883770719 673395141 /nfs/dbraw/zinc/39/51/41/673395141.db2.gz YRGYBBRCNLXYDP-INIZCTEOSA-N 1 3 356.511 0.849 20 0 FCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC1)COCCO2 ZINC000883770719 673395144 /nfs/dbraw/zinc/39/51/44/673395144.db2.gz YRGYBBRCNLXYDP-INIZCTEOSA-N 1 3 356.511 0.849 20 0 FCADHO N[C@@H](CC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000884287618 673444311 /nfs/dbraw/zinc/44/43/11/673444311.db2.gz HNNNSQFSHNVZOL-KRWDZBQOSA-N 1 3 350.507 0.955 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884576440 673463189 /nfs/dbraw/zinc/46/31/89/673463189.db2.gz HQECXTQQWFBQLS-CHWSQXEVSA-N 1 3 364.412 0.430 20 0 FCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000884631808 673468025 /nfs/dbraw/zinc/46/80/25/673468025.db2.gz YKZCFQTUKYHQTR-KXBFYZLASA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](C)C1 ZINC000885015204 673498437 /nfs/dbraw/zinc/49/84/37/673498437.db2.gz VTFRLQBDAKGRGI-OVYGPGRDSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927630158 673870889 /nfs/dbraw/zinc/87/08/89/673870889.db2.gz NFQORMBIRPBWIX-GOEBONIOSA-N 1 3 354.495 0.384 20 0 FCADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927630158 673870891 /nfs/dbraw/zinc/87/08/91/673870891.db2.gz NFQORMBIRPBWIX-GOEBONIOSA-N 1 3 354.495 0.384 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCN(CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001039132814 675447617 /nfs/dbraw/zinc/44/76/17/675447617.db2.gz OVXITMCWQGXWST-IXDOHACOSA-N 1 3 350.507 0.763 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCN(CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001039132814 675447619 /nfs/dbraw/zinc/44/76/19/675447619.db2.gz OVXITMCWQGXWST-IXDOHACOSA-N 1 3 350.507 0.763 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287966 1169161778 /nfs/dbraw/zinc/16/17/78/1169161778.db2.gz OAFNCIXNHIDSTD-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC000988659859 1192372462 /nfs/dbraw/zinc/37/24/62/1192372462.db2.gz DGNWGXGSVHCGTE-RHSMWYFYSA-N 1 3 361.490 0.989 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC000988659859 1192372465 /nfs/dbraw/zinc/37/24/65/1192372465.db2.gz DGNWGXGSVHCGTE-RHSMWYFYSA-N 1 3 361.490 0.989 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](CNCc2cnnn2C)C1 ZINC001087166905 1170748153 /nfs/dbraw/zinc/74/81/53/1170748153.db2.gz JHIZQXBQBXZKGI-HFTRVMKXSA-N 1 3 360.506 0.874 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC001022212411 1170750510 /nfs/dbraw/zinc/75/05/10/1170750510.db2.gz CLIMSXPHIJHFAT-YESZJQIVSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC001022212411 1170750524 /nfs/dbraw/zinc/75/05/24/1170750524.db2.gz CLIMSXPHIJHFAT-YESZJQIVSA-N 1 3 362.518 0.872 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001691285619 1171034270 /nfs/dbraw/zinc/03/42/70/1171034270.db2.gz CUCZKLBASPBCDI-RYQLBKOJSA-N 1 3 363.506 0.682 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001691356666 1171198691 /nfs/dbraw/zinc/19/86/91/1171198691.db2.gz ZGDFCUCKVZBYDW-CBBWQLFWSA-N 1 3 367.494 0.128 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001691356666 1171198727 /nfs/dbraw/zinc/19/87/27/1171198727.db2.gz ZGDFCUCKVZBYDW-CBBWQLFWSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CCNCc1nnnn1C ZINC001104389373 1171298333 /nfs/dbraw/zinc/29/83/33/1171298333.db2.gz XOPQALGRZCYBQQ-UKRRQHHQSA-N 1 3 368.445 0.746 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104389373 1171298340 /nfs/dbraw/zinc/29/83/40/1171298340.db2.gz XOPQALGRZCYBQQ-UKRRQHHQSA-N 1 3 368.445 0.746 20 0 FCADHO C[C@]1(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC[NH2+]C1 ZINC000892060447 1171542825 /nfs/dbraw/zinc/54/28/25/1171542825.db2.gz PXBJZLRGDINOSA-SFHVURJKSA-N 1 3 365.522 0.892 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3CN(C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083236140 1171548116 /nfs/dbraw/zinc/54/81/16/1171548116.db2.gz MVEFDFMOJQHFRH-RYQLBKOJSA-N 1 3 367.490 0.045 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000892099857 1171580923 /nfs/dbraw/zinc/58/09/23/1171580923.db2.gz APNQAFUDCUGMFU-UHFFFAOYSA-N 1 3 363.506 0.812 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022717964 1171806783 /nfs/dbraw/zinc/80/67/83/1171806783.db2.gz PSHBJUSLAZTMKE-YESZJQIVSA-N 1 3 360.502 0.626 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724672 1171820966 /nfs/dbraw/zinc/82/09/66/1171820966.db2.gz BFGGRHDSLMBCGH-YESZJQIVSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724672 1171820969 /nfs/dbraw/zinc/82/09/69/1171820969.db2.gz BFGGRHDSLMBCGH-YESZJQIVSA-N 1 3 362.518 0.729 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000892274488 1171951105 /nfs/dbraw/zinc/95/11/05/1171951105.db2.gz NQSLFVWOTUBOEC-OAHLLOKOSA-N 1 3 363.506 0.786 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738770 1180687839 /nfs/dbraw/zinc/68/78/39/1180687839.db2.gz GVUIGTSZNRKCCA-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738770 1180687842 /nfs/dbraw/zinc/68/78/42/1180687842.db2.gz GVUIGTSZNRKCCA-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC000972992145 1181856796 /nfs/dbraw/zinc/85/67/96/1181856796.db2.gz JPPCAFZZLXDDQI-KZNAEPCWSA-N 1 3 364.534 0.974 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892598954 1181911186 /nfs/dbraw/zinc/91/11/86/1181911186.db2.gz OZQOFTUQBFQALZ-YVSFHVDLSA-N 1 3 363.506 0.465 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104676288 1182358065 /nfs/dbraw/zinc/35/80/65/1182358065.db2.gz DBQSCJHLMJTSET-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO COCCOC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728912 1182400923 /nfs/dbraw/zinc/40/09/23/1182400923.db2.gz HIYJGOJWUSCZOL-INMHGKMJSA-N 1 3 368.478 0.050 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768347 1182491425 /nfs/dbraw/zinc/49/14/25/1182491425.db2.gz GSQHNDMZEVYXSL-KRWDZBQOSA-N 1 3 367.538 0.424 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587419 1183354820 /nfs/dbraw/zinc/35/48/20/1183354820.db2.gz ZNKUNOJEXAYBDU-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC000974587419 1183354831 /nfs/dbraw/zinc/35/48/31/1183354831.db2.gz ZNKUNOJEXAYBDU-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC000974584474 1183363712 /nfs/dbraw/zinc/36/37/12/1183363712.db2.gz QAULKGUOLPQLDF-BRWVUGGUSA-N 1 3 360.502 0.482 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001211662199 1183835765 /nfs/dbraw/zinc/83/57/65/1183835765.db2.gz VQZSMQJZRIEGKO-RCCFBDPRSA-N 1 3 370.497 0.801 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000975408294 1183859393 /nfs/dbraw/zinc/85/93/93/1183859393.db2.gz APAHLJNNJIESFA-HYVNUMGLSA-N 1 3 357.458 0.353 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN2CCC[C@H]2C)CC[N@@H+]1C ZINC001058845500 1186245542 /nfs/dbraw/zinc/24/55/42/1186245542.db2.gz PNJQSEOBEBGVPI-IXDOHACOSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN2CCC[C@H]2C)CC[N@H+]1C ZINC001058845500 1186245547 /nfs/dbraw/zinc/24/55/47/1186245547.db2.gz PNJQSEOBEBGVPI-IXDOHACOSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC3(CS(C)(=O)=O)CC3)CC2)CC[N@@H+]1C ZINC001670784144 1186404556 /nfs/dbraw/zinc/40/45/56/1186404556.db2.gz HYQXEXRVBMUBOI-ZIAGYGMSSA-N 1 3 357.520 0.390 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC3(CS(C)(=O)=O)CC3)CC2)CC[N@H+]1C ZINC001670784144 1186404558 /nfs/dbraw/zinc/40/45/58/1186404558.db2.gz HYQXEXRVBMUBOI-ZIAGYGMSSA-N 1 3 357.520 0.390 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000893867862 1187519227 /nfs/dbraw/zinc/51/92/27/1187519227.db2.gz RWAGCPBORUPAMN-ROUUACIJSA-N 1 3 367.538 0.253 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000398086372 1188029792 /nfs/dbraw/zinc/02/97/92/1188029792.db2.gz ULFHIDOPIYZKKN-HYVNUMGLSA-N 1 3 367.515 0.775 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000550413853 1188366921 /nfs/dbraw/zinc/36/69/21/1188366921.db2.gz DQNGVLXCMBLLAO-YJBOKZPZSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000550413853 1188366926 /nfs/dbraw/zinc/36/69/26/1188366926.db2.gz DQNGVLXCMBLLAO-YJBOKZPZSA-N 1 3 360.502 0.874 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCN1CCNC1=O ZINC001087574048 1189608766 /nfs/dbraw/zinc/60/87/66/1189608766.db2.gz PVCHZLUWAYBJCU-YESZJQIVSA-N 1 3 363.506 0.323 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000550518744 1189810264 /nfs/dbraw/zinc/81/02/64/1189810264.db2.gz IIVPLWJCZVWMFN-CVEARBPZSA-N 1 3 367.538 0.070 20 0 FCADHO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccncc4)n3)C[C@@H]2C1 ZINC001088037334 1190291380 /nfs/dbraw/zinc/29/13/80/1190291380.db2.gz HGBNKPCGUKYHQI-CABCVRRESA-N 1 3 368.441 0.407 20 0 FCADHO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccncc4)n3)C[C@@H]2C1 ZINC001088037334 1190291383 /nfs/dbraw/zinc/29/13/83/1190291383.db2.gz HGBNKPCGUKYHQI-CABCVRRESA-N 1 3 368.441 0.407 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1)[NH+]1CCCC1 ZINC001088064205 1190340362 /nfs/dbraw/zinc/34/03/62/1190340362.db2.gz RNONDFYNUWAHPL-IKGGRYGDSA-N 1 3 362.518 0.920 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000985825533 1190825156 /nfs/dbraw/zinc/82/51/56/1190825156.db2.gz AMVDNUOBZVFTQE-SQNIBIBYSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257738 1190934144 /nfs/dbraw/zinc/93/41/44/1190934144.db2.gz BKJWJQLYEGKYTE-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257738 1190934145 /nfs/dbraw/zinc/93/41/45/1190934145.db2.gz BKJWJQLYEGKYTE-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@H]2CC[NH2+]C2)cc1)C(N)=O ZINC001218180723 1224146225 /nfs/dbraw/zinc/14/62/25/1224146225.db2.gz BUXARTWRMQXMDF-ULQDDVLXSA-N 1 3 362.474 0.313 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653457 1193724727 /nfs/dbraw/zinc/72/47/27/1193724727.db2.gz IJEBJBJVQURMOT-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653457 1193724733 /nfs/dbraw/zinc/72/47/33/1193724733.db2.gz IJEBJBJVQURMOT-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105641470 1193844937 /nfs/dbraw/zinc/84/49/37/1193844937.db2.gz BNWBHNABLJAJDX-UMHPPVOVSA-N 1 3 368.522 0.168 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105641470 1193844940 /nfs/dbraw/zinc/84/49/40/1193844940.db2.gz BNWBHNABLJAJDX-UMHPPVOVSA-N 1 3 368.522 0.168 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218614699 1224182524 /nfs/dbraw/zinc/18/25/24/1224182524.db2.gz MDWRJVTZQJHNII-KBPBESRZSA-N 1 3 359.434 0.344 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675812 1194104374 /nfs/dbraw/zinc/10/43/74/1194104374.db2.gz RSQSPPLZNZGAJU-RGCFKVTRSA-N 1 3 368.522 0.039 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000842267285 1194143436 /nfs/dbraw/zinc/14/34/36/1194143436.db2.gz WGGWGEAXMJVATD-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO CN(CCO)CCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000899737323 1194193796 /nfs/dbraw/zinc/19/37/96/1194193796.db2.gz HGXODHWIIVZRGW-UHFFFAOYSA-N 1 3 359.474 0.766 20 0 FCADHO N[C@H]1CCCCN(CC(=O)Nc2ccc(N3CCC([NH3+])CC3)nc2)C1=O ZINC001218724928 1224206290 /nfs/dbraw/zinc/20/62/90/1224206290.db2.gz QKABEBVAICBMSI-HNNXBMFYSA-N 1 3 360.462 0.287 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)CC1 ZINC001076407751 1194453592 /nfs/dbraw/zinc/45/35/92/1194453592.db2.gz VJFKPHJCLJVMRE-FUHWJXTLSA-N 1 3 361.490 0.527 20 0 FCADHO O=C(Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218830706 1224233896 /nfs/dbraw/zinc/23/38/96/1224233896.db2.gz KJONAXGEQRLFFF-LBPRGKRZSA-N 1 3 368.359 0.886 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563623 1195223711 /nfs/dbraw/zinc/22/37/11/1195223711.db2.gz YCDNPEXASWMIMZ-MSOLQXFVSA-N 1 3 365.518 0.840 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418744 1195517445 /nfs/dbraw/zinc/51/74/45/1195517445.db2.gz ZAOLWDYTFYAULT-SYJBPTKTSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418744 1195517453 /nfs/dbraw/zinc/51/74/53/1195517453.db2.gz ZAOLWDYTFYAULT-SYJBPTKTSA-N 1 3 363.502 0.591 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CCN1c1cc[nH+]cc1 ZINC000910700534 1195834735 /nfs/dbraw/zinc/83/47/35/1195834735.db2.gz SJKAEXGJWQFJEQ-OAHLLOKOSA-N 1 3 359.474 0.671 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)c1cccc(OC)c1 ZINC000911047910 1195883531 /nfs/dbraw/zinc/88/35/31/1195883531.db2.gz JPMPOXMDDVRPEM-INIZCTEOSA-N 1 3 362.474 0.802 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911092196 1195887781 /nfs/dbraw/zinc/88/77/81/1195887781.db2.gz REXOPUUDRWAYPS-BMGDILEWSA-N 1 3 358.486 0.964 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911092196 1195887782 /nfs/dbraw/zinc/88/77/82/1195887782.db2.gz REXOPUUDRWAYPS-BMGDILEWSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911333766 1195935318 /nfs/dbraw/zinc/93/53/18/1195935318.db2.gz UWIYVXUCEMHANZ-ZTFGCOKTSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H]1COC[C@@H]1NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000911313165 1195936816 /nfs/dbraw/zinc/93/68/16/1195936816.db2.gz DDUUOFNLROIUMJ-RDJZCZTQSA-N 1 3 374.485 0.247 20 0 FCADHO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)no1 ZINC001105946052 1196749986 /nfs/dbraw/zinc/74/99/86/1196749986.db2.gz JSNLQJKHZPUWPC-YUELXQCFSA-N 1 3 363.462 0.700 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCCCC2)CC[N@@H+]1C ZINC001272424935 1197072983 /nfs/dbraw/zinc/07/29/83/1197072983.db2.gz DYNBHJKQWJKZAS-DJIMGWMZSA-N 1 3 368.522 0.232 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCCCC2)CC[N@H+]1C ZINC001272424935 1197072989 /nfs/dbraw/zinc/07/29/89/1197072989.db2.gz DYNBHJKQWJKZAS-DJIMGWMZSA-N 1 3 368.522 0.232 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)CCC1 ZINC000992943487 1197622186 /nfs/dbraw/zinc/62/21/86/1197622186.db2.gz SCLUNKYGLUOWSM-JTDSTZFVSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)CCC1 ZINC000992943487 1197622190 /nfs/dbraw/zinc/62/21/90/1197622190.db2.gz SCLUNKYGLUOWSM-JTDSTZFVSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@]12CN(C(=O)Cc3c[nH]cn3)C[C@@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000992963054 1197635019 /nfs/dbraw/zinc/63/50/19/1197635019.db2.gz SAEPRHPIHPESLJ-MDYRTPRTSA-N 1 3 371.485 0.601 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249831 1197787192 /nfs/dbraw/zinc/78/71/92/1197787192.db2.gz SHGQJTXYSWXLLS-KYJSFNMBSA-N 1 3 368.522 0.163 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1)N(C)C ZINC001106309043 1197861452 /nfs/dbraw/zinc/86/14/52/1197861452.db2.gz NDHXZQHCMRBMBU-BFYDXBDKSA-N 1 3 368.522 0.306 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716141 1197947909 /nfs/dbraw/zinc/94/79/09/1197947909.db2.gz KIQXYZOUGXPBND-AZUAARDMSA-N 1 3 374.529 0.479 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716141 1197947916 /nfs/dbraw/zinc/94/79/16/1197947916.db2.gz KIQXYZOUGXPBND-AZUAARDMSA-N 1 3 374.529 0.479 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H](C[NH+]3CCCCC3)C1)C2=O ZINC000742168472 1198155730 /nfs/dbraw/zinc/15/57/30/1198155730.db2.gz AFQJHAQIVDCXFG-MRXNPFEDSA-N 1 3 363.506 0.768 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC[NH+](C)C ZINC001219553849 1224508202 /nfs/dbraw/zinc/50/82/02/1224508202.db2.gz OCIIPDGNWDGDEL-IRXDYDNUSA-N 1 3 364.490 0.471 20 0 FCADHO Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001219595731 1224521565 /nfs/dbraw/zinc/52/15/65/1224521565.db2.gz MSXMCZMVENQKMK-HOTGVXAUSA-N 1 3 364.494 0.063 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767945902 1200043260 /nfs/dbraw/zinc/04/32/60/1200043260.db2.gz UQROYNSTPZXHSP-TVFCKZIOSA-N 1 3 366.506 0.527 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384736 1200088691 /nfs/dbraw/zinc/08/86/91/1200088691.db2.gz AEOXBUJPMDABFE-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384736 1200088697 /nfs/dbraw/zinc/08/86/97/1200088697.db2.gz AEOXBUJPMDABFE-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650140 1200441715 /nfs/dbraw/zinc/44/17/15/1200441715.db2.gz UUQZBSVKDZOZDO-NCOADZHNSA-N 1 3 369.506 0.074 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001109672331 1200459982 /nfs/dbraw/zinc/45/99/82/1200459982.db2.gz BZRUKBMZNCSAJF-FZCLSBEQSA-N 1 3 369.506 0.216 20 0 FCADHO CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982703 1200675856 /nfs/dbraw/zinc/67/58/56/1200675856.db2.gz OPAHWOXVKUCNBT-BDXSIMOUSA-N 1 3 365.518 0.837 20 0 FCADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000788460774 1200961957 /nfs/dbraw/zinc/96/19/57/1200961957.db2.gz PZJJKIHRBQMURI-MSOLQXFVSA-N 1 3 374.485 0.344 20 0 FCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834123 1224645250 /nfs/dbraw/zinc/64/52/50/1224645250.db2.gz OIXRJXPQJLYVAC-QRFRQXIXSA-N 1 3 361.486 0.685 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857614 1201406348 /nfs/dbraw/zinc/40/63/48/1201406348.db2.gz AVXJLYUXGPVMGI-VQHPVUNQSA-N 1 3 364.494 0.385 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857614 1201406350 /nfs/dbraw/zinc/40/63/50/1201406350.db2.gz AVXJLYUXGPVMGI-VQHPVUNQSA-N 1 3 364.494 0.385 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129884020 1201412733 /nfs/dbraw/zinc/41/27/33/1201412733.db2.gz GSMMNLJVDHUCLQ-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895497 1201429514 /nfs/dbraw/zinc/42/95/14/1201429514.db2.gz AMQOZNRRMAOZTM-SJORKVTESA-N 1 3 364.494 0.529 20 0 FCADHO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1)OC ZINC001129918813 1201440991 /nfs/dbraw/zinc/44/09/91/1201440991.db2.gz KAWXMAOIFZIPKF-XHSDSOJGSA-N 1 3 366.510 0.775 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014630 1201472258 /nfs/dbraw/zinc/47/22/58/1201472258.db2.gz WMPAECZUDRYYNJ-OAGGEKHMSA-N 1 3 366.510 0.632 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006150 1201476515 /nfs/dbraw/zinc/47/65/15/1201476515.db2.gz VVMWVJBNVJGTLD-BBWFWOEESA-N 1 3 364.494 0.386 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030664 1201481029 /nfs/dbraw/zinc/48/10/29/1201481029.db2.gz LMGQUSAOZYQGGP-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130081165 1201492188 /nfs/dbraw/zinc/49/21/88/1201492188.db2.gz AQFLHHYIJRCMQR-SJORKVTESA-N 1 3 366.510 0.634 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130081165 1201492190 /nfs/dbraw/zinc/49/21/90/1201492190.db2.gz AQFLHHYIJRCMQR-SJORKVTESA-N 1 3 366.510 0.634 20 0 FCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033791 1224733376 /nfs/dbraw/zinc/73/33/76/1224733376.db2.gz IVWKFBGNOAHGDT-YNUUFHRJSA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033791 1224733380 /nfs/dbraw/zinc/73/33/80/1224733380.db2.gz IVWKFBGNOAHGDT-YNUUFHRJSA-N 1 3 363.502 0.757 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130611605 1202730189 /nfs/dbraw/zinc/73/01/89/1202730189.db2.gz BHQGOBKUSRAKCZ-JQHSSLGASA-N 1 3 365.522 0.927 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130602674 1202731761 /nfs/dbraw/zinc/73/17/61/1202731761.db2.gz NADYKAAQCNJPGR-YQQAZPJKSA-N 1 3 369.485 0.630 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607962 1202734281 /nfs/dbraw/zinc/73/42/81/1202734281.db2.gz USRKIERLPYIPME-CGTJXYLNSA-N 1 3 363.506 0.681 20 0 FCADHO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001131121460 1202865735 /nfs/dbraw/zinc/86/57/35/1202865735.db2.gz UOUYIBSJFNMUTQ-BRWVUGGUSA-N 1 3 363.506 0.561 20 0 FCADHO CC[C@H](C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C)OC ZINC001131121130 1202865848 /nfs/dbraw/zinc/86/58/48/1202865848.db2.gz NTUQWHWHCWHWBG-BRWVUGGUSA-N 1 3 363.506 0.825 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131464338 1202899989 /nfs/dbraw/zinc/89/99/89/1202899989.db2.gz NCLVXPTXBZKXMA-NUJGCVRESA-N 1 3 366.506 0.202 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131582980 1202917957 /nfs/dbraw/zinc/91/79/57/1202917957.db2.gz JNVQHKPZTHOUSW-NUJGCVRESA-N 1 3 366.506 0.202 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](CC)C(N)=O)CC1 ZINC001131597174 1202919676 /nfs/dbraw/zinc/91/96/76/1202919676.db2.gz PIOKAHDFFQCOBO-NUJGCVRESA-N 1 3 368.522 0.578 20 0 FCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126212 1203015764 /nfs/dbraw/zinc/01/57/64/1203015764.db2.gz FJTQVIDKILPYHU-MSOLQXFVSA-N 1 3 360.502 0.904 20 0 FCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126212 1203015766 /nfs/dbraw/zinc/01/57/66/1203015766.db2.gz FJTQVIDKILPYHU-MSOLQXFVSA-N 1 3 360.502 0.904 20 0 FCADHO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000816522435 1203071970 /nfs/dbraw/zinc/07/19/70/1203071970.db2.gz ZBCMIQANJHJUJK-HRCADAONSA-N 1 3 366.506 0.901 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000817926244 1203126655 /nfs/dbraw/zinc/12/66/55/1203126655.db2.gz BUNHYOJMFHAXBM-HXUWFJFHSA-N 1 3 360.502 0.817 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220356472 1224841200 /nfs/dbraw/zinc/84/12/00/1224841200.db2.gz AGRCXIVMUUPHPG-WCXIOVBPSA-N 1 3 361.442 0.142 20 0 FCADHO [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220356937 1224841669 /nfs/dbraw/zinc/84/16/69/1224841669.db2.gz GLBICNKLGUHPJM-YYIAUSFCSA-N 1 3 361.442 0.536 20 0 FCADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358017 1224842301 /nfs/dbraw/zinc/84/23/01/1224842301.db2.gz OGWKIQBPONOHOE-LUKYLMHMSA-N 1 3 360.458 0.109 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001144934343 1204660640 /nfs/dbraw/zinc/66/06/40/1204660640.db2.gz XZLYEARQZDYCFN-AEFFLSMTSA-N 1 3 371.485 0.982 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001086999791 1204889107 /nfs/dbraw/zinc/88/91/07/1204889107.db2.gz WANYWPYXMWLXAH-DLBZAZTESA-N 1 3 368.445 0.167 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059810 1204944806 /nfs/dbraw/zinc/94/48/06/1204944806.db2.gz WIGDPAYWEUXBCV-NXHRZFHOSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087067835 1204955544 /nfs/dbraw/zinc/95/55/44/1204955544.db2.gz XOIOLOWYXZJILI-SYJBPTKTSA-N 1 3 363.502 0.713 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071567 1205134474 /nfs/dbraw/zinc/13/44/74/1205134474.db2.gz BBKTXZDYSWAVKQ-VPWXQRGCSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774484 1205353715 /nfs/dbraw/zinc/35/37/15/1205353715.db2.gz PBSNRLGNFNPFON-KFWWJZLASA-N 1 3 362.474 0.104 20 0 FCADHO [NH3+]C[C@H](O)CC(=O)NC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220533971 1224910949 /nfs/dbraw/zinc/91/09/49/1224910949.db2.gz VCZVSMAJUSJTOL-WOJBJXKFSA-N 1 3 371.481 0.876 20 0 FCADHO CC(C)[C@@H]1N(C(=O)C(C)(C)N2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460184 1206083496 /nfs/dbraw/zinc/08/34/96/1206083496.db2.gz QGNDHOYXEFETLC-WWNBULGVSA-N 1 3 367.534 0.819 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093821125 1206123448 /nfs/dbraw/zinc/12/34/48/1206123448.db2.gz SQVPCBXOMGVFBL-BZUAXINKSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094130992 1206189889 /nfs/dbraw/zinc/18/98/89/1206189889.db2.gz HWPLOXLNTJOIHE-OAGGEKHMSA-N 1 3 364.490 0.208 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220565151 1224935020 /nfs/dbraw/zinc/93/50/20/1224935020.db2.gz KFDYJODGFCZIRJ-JKSUJKDBSA-N 1 3 360.458 0.546 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220565151 1224935033 /nfs/dbraw/zinc/93/50/33/1224935033.db2.gz KFDYJODGFCZIRJ-JKSUJKDBSA-N 1 3 360.458 0.546 20 0 FCADHO COCCCN1CCC([NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC001172255956 1206260316 /nfs/dbraw/zinc/26/03/16/1206260316.db2.gz PNPGIALWEAIESY-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO COCCC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC001172255956 1206260324 /nfs/dbraw/zinc/26/03/24/1206260324.db2.gz PNPGIALWEAIESY-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001178730804 1206363664 /nfs/dbraw/zinc/36/36/64/1206363664.db2.gz DQMDPZSGLVVSLI-WTTBNOFXSA-N 1 3 366.506 0.201 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001178730804 1206363667 /nfs/dbraw/zinc/36/36/67/1206363667.db2.gz DQMDPZSGLVVSLI-WTTBNOFXSA-N 1 3 366.506 0.201 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001182017711 1206419929 /nfs/dbraw/zinc/41/99/29/1206419929.db2.gz RIXIYLWBVRHDAY-GOSISDBHSA-N 1 3 370.497 0.965 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684986 1206442298 /nfs/dbraw/zinc/44/22/98/1206442298.db2.gz XSCVLIYFJSJHSH-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182684986 1206442301 /nfs/dbraw/zinc/44/23/01/1206442301.db2.gz XSCVLIYFJSJHSH-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220643275 1224982641 /nfs/dbraw/zinc/98/26/41/1224982641.db2.gz YDQLIGCLHCOSJP-SQNIBIBYSA-N 1 3 369.506 0.074 20 0 FCADHO N[C@@H](Cc1cccc(O)c1)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651283 1224990370 /nfs/dbraw/zinc/99/03/70/1224990370.db2.gz IUMRTRLTGHESKC-SFHVURJKSA-N 1 3 354.454 0.988 20 0 FCADHO CCN1CCN(Cc2ccc(C(=O)n3c(C)ncc(C[NH3+])c3=N)cc2)CC1 ZINC001190857833 1207732605 /nfs/dbraw/zinc/73/26/05/1207732605.db2.gz QPHLVDHDNVGECG-UHFFFAOYSA-N 1 3 368.485 0.956 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319373 1208152252 /nfs/dbraw/zinc/15/22/52/1208152252.db2.gz BVNWRUBBRZWCOF-CGTJXYLNSA-N 1 3 369.506 0.218 20 0 FCADHO CN1CCN(c2ccncc2C(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001199357795 1208342438 /nfs/dbraw/zinc/34/24/38/1208342438.db2.gz BGOWPMLSLJRHKS-UHFFFAOYSA-N 1 3 360.506 0.201 20 0 FCADHO CN1CCN(c2ccncc2C(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001199357795 1208342441 /nfs/dbraw/zinc/34/24/41/1208342441.db2.gz BGOWPMLSLJRHKS-UHFFFAOYSA-N 1 3 360.506 0.201 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C2CCN(Cc3ccccn3)CC2)C[NH2+]C1 ZINC001220826026 1225091105 /nfs/dbraw/zinc/09/11/05/1225091105.db2.gz YECBLDBEBUZQCL-UHFFFAOYSA-N 1 3 358.442 0.830 20 0 FCADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000851688898 1209514235 /nfs/dbraw/zinc/51/42/35/1209514235.db2.gz GKTJQHPWUNNUOZ-GOSISDBHSA-N 1 3 373.501 0.607 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000868282644 1210048989 /nfs/dbraw/zinc/04/89/89/1210048989.db2.gz DNPJEZZRRWBUON-CALCHBBNSA-N 1 3 371.485 0.730 20 0 FCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868309762 1210050911 /nfs/dbraw/zinc/05/09/11/1210050911.db2.gz MEDMYEJNSHGSIM-UHFFFAOYSA-N 1 3 373.501 0.583 20 0 FCADHO CCC(CC)[C@@H](NC(=O)C1(N)CC(F)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072666 1225209861 /nfs/dbraw/zinc/20/98/61/1225209861.db2.gz MSHXAAUWZZEIQF-IDPGKSQFSA-N 1 3 373.469 0.234 20 0 FCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000876781530 1210430028 /nfs/dbraw/zinc/43/00/28/1210430028.db2.gz HWEXULWWCDBGRZ-RDJZCZTQSA-N 1 3 362.522 0.729 20 0 FCADHO O=C(NCc1ccc(OCC2CCOCC2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221078503 1225212682 /nfs/dbraw/zinc/21/26/82/1225212682.db2.gz IHZIXPPCSCNYQK-SFHVURJKSA-N 1 3 359.470 0.917 20 0 FCADHO CC(=O)N1C[C@H]2CN(CC[C@H](C)[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311332 1210527861 /nfs/dbraw/zinc/52/78/61/1210527861.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 1 3 362.518 0.585 20 0 FCADHO CC(=O)N1C[C@H]2CN(CC[C@H](C)[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311332 1210527868 /nfs/dbraw/zinc/52/78/68/1210527868.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 1 3 362.518 0.585 20 0 FCADHO CC(=O)N1C[C@H]2CN([C@@H](C)CC[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311332 1210527872 /nfs/dbraw/zinc/52/78/72/1210527872.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 1 3 362.518 0.585 20 0 FCADHO CC(=O)N1C[C@H]2CN([C@@H](C)CC[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311332 1210527881 /nfs/dbraw/zinc/52/78/81/1210527881.db2.gz BZNGWNYZVKPFLQ-LXPIXPORSA-N 1 3 362.518 0.585 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2CC)ccn1 ZINC000882487264 1210622481 /nfs/dbraw/zinc/62/24/81/1210622481.db2.gz UFOIIZZFMQCELV-CVEARBPZSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2CC)ccn1 ZINC000882487264 1210622493 /nfs/dbraw/zinc/62/24/93/1210622493.db2.gz UFOIIZZFMQCELV-CVEARBPZSA-N 1 3 359.474 0.730 20 0 FCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CNCc2ccnn2C1 ZINC001221112347 1225226788 /nfs/dbraw/zinc/22/67/88/1225226788.db2.gz RBGWFHFLHPATGY-HNNXBMFYSA-N 1 3 354.458 0.435 20 0 FCADHO CO[C@H]1COCC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000883249062 1210660569 /nfs/dbraw/zinc/66/05/69/1210660569.db2.gz RMOKHDABWQWZJG-MSOLQXFVSA-N 1 3 368.522 0.990 20 0 FCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000889333033 1210703434 /nfs/dbraw/zinc/70/34/34/1210703434.db2.gz RGJCLSHIOCRVLM-JKSUJKDBSA-N 1 3 370.542 0.020 20 0 FCADHO C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)CN1CCN(C)CC1 ZINC000884235464 1210725645 /nfs/dbraw/zinc/72/56/45/1210725645.db2.gz VVSHKGMUDNTBDH-INIZCTEOSA-N 1 3 360.506 0.105 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884509403 1210741796 /nfs/dbraw/zinc/74/17/96/1210741796.db2.gz FLIJUDRGHBJLCH-HLLBOEOZSA-N 1 3 373.501 0.776 20 0 FCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000884566113 1210753042 /nfs/dbraw/zinc/75/30/42/1210753042.db2.gz BRNFIPUUXUJMNH-GOSISDBHSA-N 1 3 372.513 0.802 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000884623502 1210764665 /nfs/dbraw/zinc/76/46/65/1210764665.db2.gz FVNWWKPCRSIRII-GDBMZVCRSA-N 1 3 364.490 0.028 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000884623503 1210765020 /nfs/dbraw/zinc/76/50/20/1210765020.db2.gz FVNWWKPCRSIRII-GOEBONIOSA-N 1 3 364.490 0.028 20 0 FCADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884635305 1210768862 /nfs/dbraw/zinc/76/88/62/1210768862.db2.gz RZYHVEVZWBJEFR-YIOUJQMASA-N 1 3 374.407 0.481 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884779093 1210793989 /nfs/dbraw/zinc/79/39/89/1210793989.db2.gz SLCKXHLZXJSNDH-HDICACEKSA-N 1 3 371.485 0.373 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141612 1210812340 /nfs/dbraw/zinc/81/23/40/1210812340.db2.gz OQMNCRBLUXVAPX-MRXNPFEDSA-N 1 3 366.506 0.204 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885157375 1210813690 /nfs/dbraw/zinc/81/36/90/1210813690.db2.gz LGKWAJKDOZZLAO-SFHVURJKSA-N 1 3 358.486 0.617 20 0 FCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771190 1210950095 /nfs/dbraw/zinc/95/00/95/1210950095.db2.gz XYMWPIPASYHIJD-DYXWJJEUSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771190 1210950096 /nfs/dbraw/zinc/95/00/96/1210950096.db2.gz XYMWPIPASYHIJD-DYXWJJEUSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771195 1210950431 /nfs/dbraw/zinc/95/04/31/1210950431.db2.gz XYMWPIPASYHIJD-SVFBPWRDSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771195 1210950433 /nfs/dbraw/zinc/95/04/33/1210950433.db2.gz XYMWPIPASYHIJD-SVFBPWRDSA-N 1 3 373.497 0.681 20 0 FCADHO COCCOCN1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171683 1211188154 /nfs/dbraw/zinc/18/81/54/1211188154.db2.gz MUEFWTOKMBYSDO-FGTMMUONSA-N 1 3 368.522 0.023 20 0 FCADHO COCCOCN1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171683 1211188158 /nfs/dbraw/zinc/18/81/58/1211188158.db2.gz MUEFWTOKMBYSDO-FGTMMUONSA-N 1 3 368.522 0.023 20 0 FCADHO COc1cnccc1CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275372055 1211225199 /nfs/dbraw/zinc/22/51/99/1211225199.db2.gz UPEIBHTZDICAED-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO COc1ccc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275500836 1211251609 /nfs/dbraw/zinc/25/16/09/1211251609.db2.gz SIEIDWQTQMGVAW-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO COc1ccncc1CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275929330 1211311234 /nfs/dbraw/zinc/31/12/34/1211311234.db2.gz AWFFCKMJGRZGIS-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cnc4c(c3)OCCO4)C2)C1=O ZINC001275966999 1211318833 /nfs/dbraw/zinc/31/88/33/1211318833.db2.gz MGJRLINXFKDWEY-LJQANCHMSA-N 1 3 360.458 0.839 20 0 FCADHO O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221312193 1225294409 /nfs/dbraw/zinc/29/44/09/1225294409.db2.gz XOJDUIYLKSCZPD-ZDUSSCGKSA-N 1 3 356.382 0.496 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926301876 1211527896 /nfs/dbraw/zinc/52/78/96/1211527896.db2.gz ZXPPMKMPRQMMMQ-OAHLLOKOSA-N 1 3 364.465 0.913 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926299732 1211528493 /nfs/dbraw/zinc/52/84/93/1211528493.db2.gz PVKVEPVOQMAIBF-RBUKOAKNSA-N 1 3 372.513 0.687 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926349326 1211537001 /nfs/dbraw/zinc/53/70/01/1211537001.db2.gz VSHHDDHHAICEAR-MSOLQXFVSA-N 1 3 358.486 0.917 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)NC1 ZINC001221391120 1225304760 /nfs/dbraw/zinc/30/47/60/1225304760.db2.gz AVSSZSXJCGOCLB-IEBWSBKVSA-N 1 3 359.518 0.771 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)C3([NH3+])CCC4(CC3)OCCO4)CC2)NC1 ZINC001221392815 1225305007 /nfs/dbraw/zinc/30/50/07/1225305007.db2.gz NGCZSWNYAUBCIB-UHFFFAOYSA-N 1 3 362.474 0.569 20 0 FCADHO CC(=O)Nc1ccc(OC[C@H](O)CN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931485769 1211757496 /nfs/dbraw/zinc/75/74/96/1211757496.db2.gz DKDIPNXOSJEURW-QGZVFWFLSA-N 1 3 365.474 0.773 20 0 FCADHO CC1(C)CNC(=O)[C@@H]1NCc1cccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1 ZINC000931655222 1211768509 /nfs/dbraw/zinc/76/85/09/1211768509.db2.gz WVZRAOROOCLZLW-HOTGVXAUSA-N 1 3 358.486 0.915 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCc2cccnc21 ZINC000932739364 1211819505 /nfs/dbraw/zinc/81/95/05/1211819505.db2.gz CAGRPXLCNJTIRZ-MRXNPFEDSA-N 1 3 361.490 0.527 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263253 1211987295 /nfs/dbraw/zinc/98/72/95/1211987295.db2.gz IKAYHCQLYQUFNB-HCXYKTFWSA-N 1 3 365.518 0.837 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC001009127273 1212808865 /nfs/dbraw/zinc/80/88/65/1212808865.db2.gz MZFIODJZSXLKGG-SMLCLMEVSA-N 1 3 359.474 0.503 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC001009127273 1212808868 /nfs/dbraw/zinc/80/88/68/1212808868.db2.gz MZFIODJZSXLKGG-SMLCLMEVSA-N 1 3 359.474 0.503 20 0 FCADHO COCCC[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276315698 1213403268 /nfs/dbraw/zinc/40/32/68/1213403268.db2.gz MOBZFWNRLSSEQR-SFHVURJKSA-N 1 3 366.550 0.879 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4(N(C)C)CCC4)C3)C2)CC[N@@H+]1C ZINC001019108080 1214198140 /nfs/dbraw/zinc/19/81/40/1214198140.db2.gz HHVNUDFCEWZLPX-HZPDHXFCSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C4(N(C)C)CCC4)C3)C2)CC[N@H+]1C ZINC001019108080 1214198143 /nfs/dbraw/zinc/19/81/43/1214198143.db2.gz HHVNUDFCEWZLPX-HZPDHXFCSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001039865316 1214450193 /nfs/dbraw/zinc/45/01/93/1214450193.db2.gz OEWFXTFOBWKQKI-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001039865316 1214450197 /nfs/dbraw/zinc/45/01/97/1214450197.db2.gz OEWFXTFOBWKQKI-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN([C@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC001040705134 1214568420 /nfs/dbraw/zinc/56/84/20/1214568420.db2.gz DFMKVWVWUHCIAM-BBWFWOEESA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN([C@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC001040705134 1214568425 /nfs/dbraw/zinc/56/84/25/1214568425.db2.gz DFMKVWVWUHCIAM-BBWFWOEESA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C[C@H]3CCc4ncnn43)CC2)CC[N@@H+]1C ZINC001000700963 1216108309 /nfs/dbraw/zinc/10/83/09/1216108309.db2.gz AYTBVVALKKXKQC-DJIMGWMZSA-N 1 3 358.490 0.854 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C[C@H]3CCc4ncnn43)CC2)CC[N@H+]1C ZINC001000700963 1216108314 /nfs/dbraw/zinc/10/83/14/1216108314.db2.gz AYTBVVALKKXKQC-DJIMGWMZSA-N 1 3 358.490 0.854 20 0 FCADHO COc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625271 1216470089 /nfs/dbraw/zinc/47/00/89/1216470089.db2.gz YFEWCTJNUISRIX-DJIMGWMZSA-N 1 3 362.474 0.747 20 0 FCADHO COc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625271 1216470092 /nfs/dbraw/zinc/47/00/92/1216470092.db2.gz YFEWCTJNUISRIX-DJIMGWMZSA-N 1 3 362.474 0.747 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223024380 1225674440 /nfs/dbraw/zinc/67/44/40/1225674440.db2.gz ZWHLWVUSHFPLKD-CVEARBPZSA-N 1 3 365.522 0.665 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223024380 1225674444 /nfs/dbraw/zinc/67/44/44/1225674444.db2.gz ZWHLWVUSHFPLKD-CVEARBPZSA-N 1 3 365.522 0.665 20 0 FCADHO C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961147 1225770812 /nfs/dbraw/zinc/77/08/12/1225770812.db2.gz ZJZFRSLROQJCEQ-QUCCMNQESA-N 1 3 366.550 0.709 20 0 FCADHO C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961147 1225770816 /nfs/dbraw/zinc/77/08/16/1225770816.db2.gz ZJZFRSLROQJCEQ-QUCCMNQESA-N 1 3 366.550 0.709 20 0 FCADHO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CN(C)CCN1C ZINC000900804845 1218039782 /nfs/dbraw/zinc/03/97/82/1218039782.db2.gz NRFRMPXJXLYPJJ-AZUAARDMSA-N 1 3 373.545 0.949 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3cccc4c3CCO4)C2)OCC1=O ZINC001277050857 1225814622 /nfs/dbraw/zinc/81/46/22/1225814622.db2.gz ZTWFYBVLQMZLKH-HXUWFJFHSA-N 1 3 359.470 0.986 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000803564425 1218437522 /nfs/dbraw/zinc/43/75/22/1218437522.db2.gz MAROCLHOAKDLJL-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000803564425 1218437527 /nfs/dbraw/zinc/43/75/27/1218437527.db2.gz MAROCLHOAKDLJL-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001097086299 1218685174 /nfs/dbraw/zinc/68/51/74/1218685174.db2.gz WHSIWRYDFOTKBE-HCXYKTFWSA-N 1 3 370.497 0.949 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226765863 1225854315 /nfs/dbraw/zinc/85/43/15/1225854315.db2.gz GASDCNMOFDHMAQ-RBSFLKMASA-N 1 3 367.494 0.461 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226765863 1225854316 /nfs/dbraw/zinc/85/43/16/1225854316.db2.gz GASDCNMOFDHMAQ-RBSFLKMASA-N 1 3 367.494 0.461 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001227150157 1225864653 /nfs/dbraw/zinc/86/46/53/1225864653.db2.gz KYCQWODKOWYFAJ-GVDBMIGSSA-N 1 3 365.522 0.991 20 0 FCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804059498 1219115678 /nfs/dbraw/zinc/11/56/78/1219115678.db2.gz IUNNTWTYGONNEJ-YESZJQIVSA-N 1 3 366.506 0.299 20 0 FCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804059498 1219115681 /nfs/dbraw/zinc/11/56/81/1219115681.db2.gz IUNNTWTYGONNEJ-YESZJQIVSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000804062211 1219118183 /nfs/dbraw/zinc/11/81/83/1219118183.db2.gz DDXHBZTUVKRVLO-SJORKVTESA-N 1 3 368.522 0.591 20 0 FCADHO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060478 1219121327 /nfs/dbraw/zinc/12/13/27/1219121327.db2.gz YTQUGBNDKRLQSN-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060478 1219121331 /nfs/dbraw/zinc/12/13/31/1219121331.db2.gz YTQUGBNDKRLQSN-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097212 1219168876 /nfs/dbraw/zinc/16/88/76/1219168876.db2.gz HLGHYVQYPAAXHK-QRVBRYPASA-N 1 3 368.485 0.814 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097212 1219168878 /nfs/dbraw/zinc/16/88/78/1219168878.db2.gz HLGHYVQYPAAXHK-QRVBRYPASA-N 1 3 368.485 0.814 20 0 FCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070124852 1219196986 /nfs/dbraw/zinc/19/69/86/1219196986.db2.gz BYUZRJZOXYFDLK-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070124852 1219196990 /nfs/dbraw/zinc/19/69/90/1219196990.db2.gz BYUZRJZOXYFDLK-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCCN2C)n1 ZINC001070354330 1219391675 /nfs/dbraw/zinc/39/16/75/1219391675.db2.gz CSZSJFLBMOSLJG-KKUMJFAQSA-N 1 3 364.494 0.776 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001070563977 1219471241 /nfs/dbraw/zinc/47/12/41/1219471241.db2.gz OHWKTYJXCWCRBQ-HLLBOEOZSA-N 1 3 367.469 0.242 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001071060959 1219597363 /nfs/dbraw/zinc/59/73/63/1219597363.db2.gz GLFRQODKJVFLLJ-BMFZPTHFSA-N 1 3 366.506 0.330 20 0 FCADHO CC1(C)CCN(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071086134 1219603068 /nfs/dbraw/zinc/60/30/68/1219603068.db2.gz QQZLHUZIZRQRGU-QAPCUYQASA-N 1 3 366.506 0.189 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001099445987 1219998889 /nfs/dbraw/zinc/99/88/89/1219998889.db2.gz FWXIACGWVVHSLY-BXWFABGCSA-N 1 3 362.518 0.968 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001228603971 1225935533 /nfs/dbraw/zinc/93/55/33/1225935533.db2.gz VPAXKONKTYKNDL-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3nncn3C)C2)C1 ZINC001099500583 1220016017 /nfs/dbraw/zinc/01/60/17/1220016017.db2.gz WWJBHOULLWQCTC-BXWFABGCSA-N 1 3 360.506 0.875 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3nncn3C)C2)C1 ZINC001099500583 1220016021 /nfs/dbraw/zinc/01/60/21/1220016021.db2.gz WWJBHOULLWQCTC-BXWFABGCSA-N 1 3 360.506 0.875 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)N(C)C ZINC001101277507 1220263671 /nfs/dbraw/zinc/26/36/71/1220263671.db2.gz KUGRODJEICOCNL-LMMKCTJWSA-N 1 3 368.522 0.260 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)N(C)C ZINC001101277507 1220263675 /nfs/dbraw/zinc/26/36/75/1220263675.db2.gz KUGRODJEICOCNL-LMMKCTJWSA-N 1 3 368.522 0.260 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013330 1220461548 /nfs/dbraw/zinc/46/15/48/1220461548.db2.gz VRUVYNCBIBZORA-ZACQAIPSSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013330 1220461552 /nfs/dbraw/zinc/46/15/52/1220461552.db2.gz VRUVYNCBIBZORA-ZACQAIPSSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012903 1220461989 /nfs/dbraw/zinc/46/19/89/1220461989.db2.gz ANJBRLYLWSBDFN-ZACQAIPSSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012903 1220461990 /nfs/dbraw/zinc/46/19/90/1220461990.db2.gz ANJBRLYLWSBDFN-ZACQAIPSSA-N 1 3 370.513 0.973 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047528 1220477245 /nfs/dbraw/zinc/47/72/45/1220477245.db2.gz KJYFSHPPEBTBSL-BJZITVGISA-N 1 3 364.534 0.879 20 0 FCADHO COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051879 1220479497 /nfs/dbraw/zinc/47/94/97/1220479497.db2.gz RIDNSGRAMPOPJX-NUJGCVRESA-N 1 3 371.522 0.179 20 0 FCADHO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051879 1220479502 /nfs/dbraw/zinc/47/95/02/1220479502.db2.gz RIDNSGRAMPOPJX-NUJGCVRESA-N 1 3 371.522 0.179 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312876 1220582396 /nfs/dbraw/zinc/58/23/96/1220582396.db2.gz RXCZGUNVEVPUPC-CRAIPNDOSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373212 1220598191 /nfs/dbraw/zinc/59/81/91/1220598191.db2.gz YUJNZMSOXSCQMG-BZUAXINKSA-N 1 3 364.490 0.161 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373212 1220598197 /nfs/dbraw/zinc/59/81/97/1220598197.db2.gz YUJNZMSOXSCQMG-BZUAXINKSA-N 1 3 364.490 0.161 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373083 1220599120 /nfs/dbraw/zinc/59/91/20/1220599120.db2.gz ULYLTCRDJVGHIS-SPYBWZPUSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373083 1220599123 /nfs/dbraw/zinc/59/91/23/1220599123.db2.gz ULYLTCRDJVGHIS-SPYBWZPUSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513769 1220672785 /nfs/dbraw/zinc/67/27/85/1220672785.db2.gz AJOZXCFPWDQBQE-BPQIPLTHSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513769 1220672787 /nfs/dbraw/zinc/67/27/87/1220672787.db2.gz AJOZXCFPWDQBQE-BPQIPLTHSA-N 1 3 364.534 0.881 20 0 FCADHO CC(C)CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514469 1220673795 /nfs/dbraw/zinc/67/37/95/1220673795.db2.gz YGFXELUAIYCMMR-BRWVUGGUSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596626 1220717703 /nfs/dbraw/zinc/71/77/03/1220717703.db2.gz PWRRFPKHPMLBIA-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO C[C@@H]1CN(CC(=O)NC[C@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398411 1220877442 /nfs/dbraw/zinc/87/74/42/1220877442.db2.gz RHIDIDGTAWADPI-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103550357 1220899819 /nfs/dbraw/zinc/89/98/19/1220899819.db2.gz LWZLXIDSKHXLGG-KZNAEPCWSA-N 1 3 365.522 0.660 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103550357 1220899820 /nfs/dbraw/zinc/89/98/20/1220899820.db2.gz LWZLXIDSKHXLGG-KZNAEPCWSA-N 1 3 365.522 0.660 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001229503867 1226014723 /nfs/dbraw/zinc/01/47/23/1226014723.db2.gz NXYKDVHNCJQCMM-BRWVUGGUSA-N 1 3 368.522 0.640 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001229503867 1226014728 /nfs/dbraw/zinc/01/47/28/1226014728.db2.gz NXYKDVHNCJQCMM-BRWVUGGUSA-N 1 3 368.522 0.640 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC001112399291 1221252630 /nfs/dbraw/zinc/25/26/30/1221252630.db2.gz LLWCLCSFHJNIQR-QRFRQXIXSA-N 1 3 362.518 0.777 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001112425549 1221257250 /nfs/dbraw/zinc/25/72/50/1221257250.db2.gz QWIOVXFLKCMLKG-IYOUNJFTSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001116653097 1221376985 /nfs/dbraw/zinc/37/69/85/1221376985.db2.gz YEIINBBBLMTVCE-LJQANCHMSA-N 1 3 367.582 0.399 20 0 FCADHO COCC[NH2+]CCNC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001118026732 1221689896 /nfs/dbraw/zinc/68/98/96/1221689896.db2.gz IRVKNSVCVOKFIO-UHFFFAOYSA-N 1 3 363.506 0.469 20 0 FCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001119296126 1221898209 /nfs/dbraw/zinc/89/82/09/1221898209.db2.gz MLVDNFOAQBVKBV-QUCCMNQESA-N 1 3 360.502 0.817 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000828284777 1222399515 /nfs/dbraw/zinc/39/95/15/1222399515.db2.gz RXJJPWCREDARNI-GVDBMIGSSA-N 1 3 366.506 0.345 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000835884190 1222612191 /nfs/dbraw/zinc/61/21/91/1222612191.db2.gz PZSZJDVIUZRJBG-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302257 1222676920 /nfs/dbraw/zinc/67/69/20/1222676920.db2.gz OKINPPJLVGADEY-SJORKVTESA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302257 1222676924 /nfs/dbraw/zinc/67/69/24/1222676924.db2.gz OKINPPJLVGADEY-SJORKVTESA-N 1 3 367.538 0.565 20 0 FCADHO O=C1C[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738798 1222801614 /nfs/dbraw/zinc/80/16/14/1222801614.db2.gz IUHBIFZVUPNOGH-FGTMMUONSA-N 1 3 357.454 0.560 20 0 FCADHO O=C1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738798 1222801617 /nfs/dbraw/zinc/80/16/17/1222801617.db2.gz IUHBIFZVUPNOGH-FGTMMUONSA-N 1 3 357.454 0.560 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000841200536 1222813402 /nfs/dbraw/zinc/81/34/02/1222813402.db2.gz OXLQVEINHNFITN-HOTGVXAUSA-N 1 3 373.501 0.963 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000842271155 1222845789 /nfs/dbraw/zinc/84/57/89/1222845789.db2.gz CLURHDRNFNBZEV-UHFFFAOYSA-N 1 3 358.486 0.655 20 0 FCADHO Cc1ccc([C@@H](C(=O)N(C)C[C@H]2CNCCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720577 1223081287 /nfs/dbraw/zinc/08/12/87/1223081287.db2.gz MCCARHSXGRMXLQ-MOPGFXCFSA-N 1 3 360.502 0.778 20 0 FCADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001157842087 1223082806 /nfs/dbraw/zinc/08/28/06/1223082806.db2.gz IYWNJXPJAXEWCS-PMPSAXMXSA-N 1 3 361.490 0.895 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935114 1223084117 /nfs/dbraw/zinc/08/41/17/1223084117.db2.gz RNGCLNCGFFVYSI-RLFYNMQTSA-N 1 3 372.485 0.147 20 0 FCADHO N[C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1Cc2ccccc2C1 ZINC001158277800 1223093387 /nfs/dbraw/zinc/09/33/87/1223093387.db2.gz VGDBBDOJIDSUGI-SFHVURJKSA-N 1 3 366.469 0.441 20 0 FCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281856 1223093396 /nfs/dbraw/zinc/09/33/96/1223093396.db2.gz DFLVXRNTOFNSOM-SJORKVTESA-N 1 3 364.494 0.158 20 0 FCADHO CCCn1nccc1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158381144 1223096108 /nfs/dbraw/zinc/09/61/08/1223096108.db2.gz YOBVWBHWJCADGF-HUUCEWRRSA-N 1 3 364.494 0.668 20 0 FCADHO CCCn1nccc1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158381144 1223096110 /nfs/dbraw/zinc/09/61/10/1223096110.db2.gz YOBVWBHWJCADGF-HUUCEWRRSA-N 1 3 364.494 0.668 20 0 FCADHO CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001158697838 1223105427 /nfs/dbraw/zinc/10/54/27/1223105427.db2.gz IEHFYYXMHKZDFK-FOIQADDNSA-N 1 3 374.533 0.609 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159031600 1223115768 /nfs/dbraw/zinc/11/57/68/1223115768.db2.gz ZHKZFCXDIQOHSF-KRWDZBQOSA-N 1 3 373.501 0.879 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)CC1 ZINC001159119490 1223117791 /nfs/dbraw/zinc/11/77/91/1223117791.db2.gz NHBOAHAXYURIJR-UHFFFAOYSA-N 1 3 366.550 0.853 20 0 FCADHO N[C@H](C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192896 1223120355 /nfs/dbraw/zinc/12/03/55/1223120355.db2.gz YTVPLRDKUYGIKB-QAPCUYQASA-N 1 3 361.490 0.595 20 0 FCADHO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001159259203 1223122219 /nfs/dbraw/zinc/12/22/19/1223122219.db2.gz XUPZWTQMCNQJPF-YQVWRLOYSA-N 1 3 371.485 0.419 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159330215 1223124807 /nfs/dbraw/zinc/12/48/07/1223124807.db2.gz PTRSWQUUIVTIJL-UKRRQHHQSA-N 1 3 366.437 0.816 20 0 FCADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C3)n1 ZINC001159471109 1223127887 /nfs/dbraw/zinc/12/78/87/1223127887.db2.gz DQRLYUCWEHDFOW-RVKKMQEKSA-N 1 3 365.478 0.600 20 0 FCADHO O=C(CNC1CC[NH2+]CC1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667140 1223132777 /nfs/dbraw/zinc/13/27/77/1223132777.db2.gz SUXGMRIIRUDJKO-RTBURBONSA-N 1 3 373.501 0.225 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159722949 1223135220 /nfs/dbraw/zinc/13/52/20/1223135220.db2.gz NIDNEQHPUFILSC-ZIAGYGMSSA-N 1 3 371.445 0.263 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001159746644 1223135711 /nfs/dbraw/zinc/13/57/11/1223135711.db2.gz JITULJSQFKEHFB-GVDBMIGSSA-N 1 3 360.458 0.052 20 0 FCADHO [NH3+]CCNCC(=O)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001159888696 1223138938 /nfs/dbraw/zinc/13/89/38/1223138938.db2.gz VHFMOEAFGPXSCJ-KRWDZBQOSA-N 1 3 367.444 0.690 20 0 FCADHO N[C@H](C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)C1CC[NH2+]CC1 ZINC001159980742 1223141486 /nfs/dbraw/zinc/14/14/86/1223141486.db2.gz QWLRVQZCUGDAEQ-KRWDZBQOSA-N 1 3 357.462 0.187 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160083739 1223144789 /nfs/dbraw/zinc/14/47/89/1223144789.db2.gz BSLZWANXVBPYMD-GJYPPUQNSA-N 1 3 359.474 0.393 20 0 FCADHO N[C@H](C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086546 1223145078 /nfs/dbraw/zinc/14/50/78/1223145078.db2.gz UYLLLKYVZBKRFB-UWVAXJGDSA-N 1 3 371.485 0.263 20 0 FCADHO N[C@H](C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086548 1223145224 /nfs/dbraw/zinc/14/52/24/1223145224.db2.gz UYLLLKYVZBKRFB-ZWOKBUDYSA-N 1 3 371.485 0.263 20 0 FCADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CCO2 ZINC001160177972 1223148235 /nfs/dbraw/zinc/14/82/35/1223148235.db2.gz DCPSLSRIQSXBGT-LPHOPBHVSA-N 1 3 364.490 0.101 20 0 FCADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CCO2 ZINC001160177972 1223148239 /nfs/dbraw/zinc/14/82/39/1223148239.db2.gz DCPSLSRIQSXBGT-LPHOPBHVSA-N 1 3 364.490 0.101 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160229837 1223150886 /nfs/dbraw/zinc/15/08/86/1223150886.db2.gz DEPKVUOSZRWESC-BBRMVZONSA-N 1 3 368.432 0.607 20 0 FCADHO N[C@@H](CC(F)F)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408854 1223158043 /nfs/dbraw/zinc/15/80/43/1223158043.db2.gz UTPAQSSFDFQJIB-NSHDSACASA-N 1 3 365.388 0.682 20 0 FCADHO N[C@H](C(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1F)C1CC[NH2+]CC1 ZINC001160420740 1223158468 /nfs/dbraw/zinc/15/84/68/1223158468.db2.gz KJUZNIGGIBQFQZ-HNNXBMFYSA-N 1 3 360.433 0.965 20 0 FCADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([NH3+])CC1 ZINC001160513352 1223163555 /nfs/dbraw/zinc/16/35/55/1223163555.db2.gz CMNUGZQPGDUDKR-QGZVFWFLSA-N 1 3 371.485 0.882 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160621012 1223166718 /nfs/dbraw/zinc/16/67/18/1223166718.db2.gz IRPMHVICANRZKB-HNNXBMFYSA-N 1 3 370.432 0.159 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880285 1223178917 /nfs/dbraw/zinc/17/89/17/1223178917.db2.gz XBMSQLYVMNNMLA-HNNXBMFYSA-N 1 3 370.453 0.944 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880285 1223178923 /nfs/dbraw/zinc/17/89/23/1223178923.db2.gz XBMSQLYVMNNMLA-HNNXBMFYSA-N 1 3 370.453 0.944 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)CC2)ncn1 ZINC001161093367 1223185811 /nfs/dbraw/zinc/18/58/11/1223185811.db2.gz MJKNJNBBQCXTLQ-CQSZACIVSA-N 1 3 360.462 0.008 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)CC2)ncn1 ZINC001161093367 1223185816 /nfs/dbraw/zinc/18/58/16/1223185816.db2.gz MJKNJNBBQCXTLQ-CQSZACIVSA-N 1 3 360.462 0.008 20 0 FCADHO COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161145737 1223187147 /nfs/dbraw/zinc/18/71/47/1223187147.db2.gz ITMRYEIXMFVZNR-IRXDYDNUSA-N 1 3 362.474 0.329 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001161318733 1223196049 /nfs/dbraw/zinc/19/60/49/1223196049.db2.gz YJJBXIFWEWTATG-CZUORRHYSA-N 1 3 372.444 0.582 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H](N)c1cccc(OC)c1)CC2 ZINC001161480222 1223200775 /nfs/dbraw/zinc/20/07/75/1223200775.db2.gz OGKBLUCQPHZDDQ-GJYPPUQNSA-N 1 3 361.442 0.839 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(N)Cc1ccc(F)cc1)CC2 ZINC001161479719 1223200807 /nfs/dbraw/zinc/20/08/07/1223200807.db2.gz LPQJRCLPFZLKGE-MNEFBYGVSA-N 1 3 363.433 0.839 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)Cc1ccc(C)cc1C)CC2 ZINC001161479963 1223200922 /nfs/dbraw/zinc/20/09/22/1223200922.db2.gz RGEJMXDXBGUWED-QKLQHJQFSA-N 1 3 359.470 0.927 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161514731 1223203395 /nfs/dbraw/zinc/20/33/95/1223203395.db2.gz RXRWPOIYYUSVJF-QGZVFWFLSA-N 1 3 364.465 0.999 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001162532298 1223217521 /nfs/dbraw/zinc/21/75/21/1223217521.db2.gz QDRZONFKYUPUPF-UHFFFAOYSA-N 1 3 360.418 0.772 20 0 FCADHO O=C1Nc2c(cccc2NCc2nnn3c2CNCCC3)C12CC[NH2+]CC2 ZINC001162978822 1223222535 /nfs/dbraw/zinc/22/25/35/1223222535.db2.gz GXCOXUGFTXWBDY-UHFFFAOYSA-N 1 3 367.457 0.957 20 0 FCADHO [NH3+]C1CCN(C(=O)c2ccc(NCc3nnn4c3CNCCC4)cc2)CC1 ZINC001162980200 1223223563 /nfs/dbraw/zinc/22/35/63/1223223563.db2.gz WLCKLEFGUAEAIT-UHFFFAOYSA-N 1 3 369.473 0.947 20 0 FCADHO CN1CCN(c2ccc(N3CCN(CCc4ccncc4)CC3)nn2)CC1 ZINC001165058793 1223241379 /nfs/dbraw/zinc/24/13/79/1223241379.db2.gz ANPZQRPIPVIODG-UHFFFAOYSA-N 1 3 367.501 0.988 20 0 FCADHO CN1CCN(c2ccc(N3CC[NH+](CCc4ccncc4)CC3)nn2)CC1 ZINC001165058793 1223241383 /nfs/dbraw/zinc/24/13/83/1223241383.db2.gz ANPZQRPIPVIODG-UHFFFAOYSA-N 1 3 367.501 0.988 20 0 FCADHO CN1CCN(Cc2cccc(-c3noc(CC[C@@H]([NH3+])C(N)=O)n3)c2)CC1 ZINC001205865039 1223340486 /nfs/dbraw/zinc/34/04/86/1223340486.db2.gz DVAOUJBXTQUNRM-OAHLLOKOSA-N 1 3 358.446 0.229 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001208071303 1223512979 /nfs/dbraw/zinc/51/29/79/1223512979.db2.gz ZNOGAXAXLSSHPM-HLLBOEOZSA-N 1 3 362.474 0.817 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001208071303 1223512984 /nfs/dbraw/zinc/51/29/84/1223512984.db2.gz ZNOGAXAXLSSHPM-HLLBOEOZSA-N 1 3 362.474 0.817 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073195 1223513352 /nfs/dbraw/zinc/51/33/52/1223513352.db2.gz FAOIIYKZZGYUPU-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073195 1223513355 /nfs/dbraw/zinc/51/33/55/1223513355.db2.gz FAOIIYKZZGYUPU-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO COCCNC(=O)[C@@H]1Cn2nccc2CN(CC2(C)CC[NH+](C)CC2)C1 ZINC001208110911 1223516300 /nfs/dbraw/zinc/51/63/00/1223516300.db2.gz XWZYBKCAIKREFO-INIZCTEOSA-N 1 3 363.506 0.809 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496481 1223551748 /nfs/dbraw/zinc/55/17/48/1223551748.db2.gz VMIVGXYSOFPMDX-UWWQBHOKSA-N 1 3 367.465 0.954 20 0 FCADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604197 1223562827 /nfs/dbraw/zinc/56/28/27/1223562827.db2.gz DKWRIYFAZIQANN-ATZDWAIDSA-N 1 3 363.502 0.848 20 0 FCADHO O=C1N(CCN2CCOCC2)CC[C@]12CCN(CC[NH+]1CCCCC1)C2 ZINC001276639868 1223617604 /nfs/dbraw/zinc/61/76/04/1223617604.db2.gz RTLLFRHOZSGAGU-FQEVSTJZSA-N 1 3 364.534 0.729 20 0 FCADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684811 1223693923 /nfs/dbraw/zinc/69/39/23/1223693923.db2.gz FCPNSPQHIFUZEJ-UZLBHIALSA-N 1 3 359.470 0.954 20 0 FCADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684811 1223693926 /nfs/dbraw/zinc/69/39/26/1223693926.db2.gz FCPNSPQHIFUZEJ-UZLBHIALSA-N 1 3 359.470 0.954 20 0 FCADHO CO[C@@H]1CN(C[C@@H](O)CCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377991 1223792174 /nfs/dbraw/zinc/79/21/74/1223792174.db2.gz AJZBBXYWFWDPQT-IPMKNSEASA-N 1 3 363.502 0.747 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1OC ZINC001213678164 1223831634 /nfs/dbraw/zinc/83/16/34/1223831634.db2.gz HVLYQUYVVKZGEE-IAGOWNOFSA-N 1 3 366.510 0.606 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1OC ZINC001213678164 1223831635 /nfs/dbraw/zinc/83/16/35/1223831635.db2.gz HVLYQUYVVKZGEE-IAGOWNOFSA-N 1 3 366.510 0.606 20 0 FCADHO CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC001213863175 1223864051 /nfs/dbraw/zinc/86/40/51/1223864051.db2.gz GMXQYXLYSIHMAA-CGTJXYLNSA-N 1 3 369.506 0.197 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC001213863175 1223864052 /nfs/dbraw/zinc/86/40/52/1223864052.db2.gz GMXQYXLYSIHMAA-CGTJXYLNSA-N 1 3 369.506 0.197 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655160 1223929524 /nfs/dbraw/zinc/92/95/24/1223929524.db2.gz BMIQOFQSNJTXRU-GDBMZVCRSA-N 1 3 364.494 0.019 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001214661887 1223930368 /nfs/dbraw/zinc/93/03/68/1223930368.db2.gz JARUNQHJPSYKOK-JOCBIADPSA-N 1 3 373.501 0.475 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001214661887 1223930373 /nfs/dbraw/zinc/93/03/73/1223930373.db2.gz JARUNQHJPSYKOK-JOCBIADPSA-N 1 3 373.501 0.475 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861132 1223949165 /nfs/dbraw/zinc/94/91/65/1223949165.db2.gz IZHAHKDTMJPQKI-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCc3ccco3)C2)C1 ZINC001215539919 1224005273 /nfs/dbraw/zinc/00/52/73/1224005273.db2.gz CPUZBCREBBRMEY-BFYDXBDKSA-N 1 3 362.474 0.674 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568372 1224006252 /nfs/dbraw/zinc/00/62/52/1224006252.db2.gz NOPNOGCVFQLYJS-MGPQQGTHSA-N 1 3 369.510 0.245 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001215598996 1224008664 /nfs/dbraw/zinc/00/86/64/1224008664.db2.gz MREXGSALVIHRNU-BFYDXBDKSA-N 1 3 366.506 0.202 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216001491 1224029398 /nfs/dbraw/zinc/02/93/98/1224029398.db2.gz DUCGUSUVANDUPV-HUUCEWRRSA-N 1 3 365.526 0.749 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001216401533 1224048566 /nfs/dbraw/zinc/04/85/66/1224048566.db2.gz KPHYZGQUKKYQDX-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001216515468 1224054344 /nfs/dbraw/zinc/05/43/44/1224054344.db2.gz QRMFEBKBQUVGHQ-SOLBZPMBSA-N 1 3 367.490 0.935 20 0 FCADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891580287 1245456574 /nfs/dbraw/zinc/45/65/74/1245456574.db2.gz VZJHGKLBCRIMNY-KRWDZBQOSA-N 1 3 367.538 0.472 20 0 FCADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C)CCN(C)CC2)CC1 ZINC000893398826 1245460768 /nfs/dbraw/zinc/46/07/68/1245460768.db2.gz QVJAPEGIDHNZHI-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517436 1245505267 /nfs/dbraw/zinc/50/52/67/1245505267.db2.gz JHMDIPCIDRNUIP-XOYOTBSWSA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517436 1245505275 /nfs/dbraw/zinc/50/52/75/1245505275.db2.gz JHMDIPCIDRNUIP-XOYOTBSWSA-N 1 3 356.470 0.670 20 0 FCADHO CO[C@@H](C)c1noc(CN2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325244 1245708200 /nfs/dbraw/zinc/70/82/00/1245708200.db2.gz BJGIUHFPOOSNEZ-LSDHHAIUSA-N 1 3 365.478 0.663 20 0 FCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000923480525 1245725080 /nfs/dbraw/zinc/72/50/80/1245725080.db2.gz ACXHFDXYCWRXSP-QGZVFWFLSA-N 1 3 360.502 0.806 20 0 FCADHO CO[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941370356 1246580617 /nfs/dbraw/zinc/58/06/17/1246580617.db2.gz VNHNPUMVCZCSKS-BRWVUGGUSA-N 1 3 371.441 0.384 20 0 FCADHO CO[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941370356 1246580621 /nfs/dbraw/zinc/58/06/21/1246580621.db2.gz VNHNPUMVCZCSKS-BRWVUGGUSA-N 1 3 371.441 0.384 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552659 1247129143 /nfs/dbraw/zinc/12/91/43/1247129143.db2.gz LTQCBSYBNSQQGM-ZACQAIPSSA-N 1 3 366.506 0.010 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1)N(C)C ZINC000943465726 1247331246 /nfs/dbraw/zinc/33/12/46/1247331246.db2.gz MEXICWJBJIIWEA-BZUAXINKSA-N 1 3 366.506 0.297 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943590975 1247360564 /nfs/dbraw/zinc/36/05/64/1247360564.db2.gz AQUHXHVSJZNASV-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943590975 1247360575 /nfs/dbraw/zinc/36/05/75/1247360575.db2.gz AQUHXHVSJZNASV-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCN2C)CC3)CC[N@@H+]1C ZINC000944884456 1247675744 /nfs/dbraw/zinc/67/57/44/1247675744.db2.gz PHAKUMFAPHRVDD-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H]2CCCN2C)CC3)CC[N@H+]1C ZINC000944884456 1247675755 /nfs/dbraw/zinc/67/57/55/1247675755.db2.gz PHAKUMFAPHRVDD-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[NH+]1CCC(n2ccc(NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)n2)CC1 ZINC001327806786 1265431123 /nfs/dbraw/zinc/43/11/23/1265431123.db2.gz VPYIHHDYTHUBEV-UHFFFAOYSA-N 1 3 360.422 0.426 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001327865263 1265445474 /nfs/dbraw/zinc/44/54/74/1265445474.db2.gz XRRSFKMQMWTEFC-SFHVURJKSA-N 1 3 368.522 0.728 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001327865263 1265445478 /nfs/dbraw/zinc/44/54/78/1265445478.db2.gz XRRSFKMQMWTEFC-SFHVURJKSA-N 1 3 368.522 0.728 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC000996543393 1251376978 /nfs/dbraw/zinc/37/69/78/1251376978.db2.gz DGMROEBKZWZCEM-BDXSIMOUSA-N 1 3 362.518 0.918 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC000996543393 1251376986 /nfs/dbraw/zinc/37/69/86/1251376986.db2.gz DGMROEBKZWZCEM-BDXSIMOUSA-N 1 3 362.518 0.918 20 0 FCADHO O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000996721898 1251425266 /nfs/dbraw/zinc/42/52/66/1251425266.db2.gz VZLUNLRQBKHQMX-BDXSIMOUSA-N 1 3 360.502 0.672 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997885588 1251736636 /nfs/dbraw/zinc/73/66/36/1251736636.db2.gz IAHADERASOILJJ-BGTYHANMSA-N 1 3 362.518 0.918 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001328769914 1265609765 /nfs/dbraw/zinc/60/97/65/1265609765.db2.gz GBKLAFSWCTZXFA-ZDUSSCGKSA-N 1 3 370.444 0.969 20 0 FCADHO Cc1c(C(=O)NC[C@H](C)CN2CCN(C)CC2)nnn1C1CC[NH2+]CC1 ZINC001329282330 1265726125 /nfs/dbraw/zinc/72/61/25/1265726125.db2.gz RVOJHXNGZYSNLW-AWEZNQCLSA-N 1 3 363.510 0.124 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@@H]4CCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035187850 1254018902 /nfs/dbraw/zinc/01/89/02/1254018902.db2.gz IIHQVJNZRWYDCH-GVDBMIGSSA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@@H]4CCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035187850 1254018907 /nfs/dbraw/zinc/01/89/07/1254018907.db2.gz IIHQVJNZRWYDCH-GVDBMIGSSA-N 1 3 362.518 0.920 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001065212470 1254493479 /nfs/dbraw/zinc/49/34/79/1254493479.db2.gz NLSCDDVUYSUXPU-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001065212470 1254493484 /nfs/dbraw/zinc/49/34/84/1254493484.db2.gz NLSCDDVUYSUXPU-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065291697 1254500272 /nfs/dbraw/zinc/50/02/72/1254500272.db2.gz XTQKYMHGEHPRRG-OWCLPIDISA-N 1 3 368.522 0.401 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065291697 1254500281 /nfs/dbraw/zinc/50/02/81/1254500281.db2.gz XTQKYMHGEHPRRG-OWCLPIDISA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CN(C)C(C)C)CCO2)CC[N@@H+]1C ZINC001065257709 1254500689 /nfs/dbraw/zinc/50/06/89/1254500689.db2.gz ZBGHUWOJPPBIAW-YESZJQIVSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CN(C)C(C)C)CCO2)CC[N@H+]1C ZINC001065257709 1254500698 /nfs/dbraw/zinc/50/06/98/1254500698.db2.gz ZBGHUWOJPPBIAW-YESZJQIVSA-N 1 3 368.522 0.401 20 0 FCADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001075798720 1254620207 /nfs/dbraw/zinc/62/02/07/1254620207.db2.gz LTOIYKULSOQCRO-IPMKNSEASA-N 1 3 357.502 0.837 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077974969 1255139766 /nfs/dbraw/zinc/13/97/66/1255139766.db2.gz BSYUUYINYBOKJN-IPMKNSEASA-N 1 3 365.518 0.839 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018205 1255175650 /nfs/dbraw/zinc/17/56/50/1255175650.db2.gz SKOJPYXSQKBVHV-FRFSOERESA-N 1 3 362.474 0.738 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018205 1255175656 /nfs/dbraw/zinc/17/56/56/1255175656.db2.gz SKOJPYXSQKBVHV-FRFSOERESA-N 1 3 362.474 0.738 20 0 FCADHO CO[C@H](C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263255 1255493349 /nfs/dbraw/zinc/49/33/49/1255493349.db2.gz QGLBFJJZGKBUMQ-HYVNUMGLSA-N 1 3 362.474 0.927 20 0 FCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081229497 1256213345 /nfs/dbraw/zinc/21/33/45/1256213345.db2.gz PZGGBBWJGXAFOH-OKZBNKHCSA-N 1 3 358.486 0.930 20 0 FCADHO CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001081959515 1256474595 /nfs/dbraw/zinc/47/45/95/1256474595.db2.gz LBCVNPQSDVDTPJ-SYJBPTKTSA-N 1 3 363.502 0.855 20 0 FCADHO CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001081959515 1256474599 /nfs/dbraw/zinc/47/45/99/1256474599.db2.gz LBCVNPQSDVDTPJ-SYJBPTKTSA-N 1 3 363.502 0.855 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1)N(C)C ZINC001082589929 1256902313 /nfs/dbraw/zinc/90/23/13/1256902313.db2.gz UJLXFTFONCLVER-MGPQQGTHSA-N 1 3 367.494 0.094 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cc1=O ZINC001082863476 1257113170 /nfs/dbraw/zinc/11/31/70/1257113170.db2.gz DWQSZPOSZHTNOU-UKRRQHHQSA-N 1 3 361.442 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082863022 1257113478 /nfs/dbraw/zinc/11/34/78/1257113478.db2.gz FIYQRTAZTSJYRQ-IAGOWNOFSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCc2ccccc21 ZINC001082921142 1257145318 /nfs/dbraw/zinc/14/53/18/1257145318.db2.gz YNNPRYBACMAANJ-KBAYOESNSA-N 1 3 370.497 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCc2ccccc21 ZINC001082921142 1257145320 /nfs/dbraw/zinc/14/53/20/1257145320.db2.gz YNNPRYBACMAANJ-KBAYOESNSA-N 1 3 370.497 0.964 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936918 1257722083 /nfs/dbraw/zinc/72/20/83/1257722083.db2.gz BSYUUYINYBOKJN-QRVBRYPASA-N 1 3 365.518 0.839 20 0 FCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001331134535 1266154808 /nfs/dbraw/zinc/15/48/08/1266154808.db2.gz PZNLBIMSGLOTSS-MSOLQXFVSA-N 1 3 358.486 0.808 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084355194 1258046555 /nfs/dbraw/zinc/04/65/55/1258046555.db2.gz KKLLRPSSMKFCAZ-BRSBDYLESA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001084355194 1258046562 /nfs/dbraw/zinc/04/65/62/1258046562.db2.gz KKLLRPSSMKFCAZ-BRSBDYLESA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001085016567 1258522743 /nfs/dbraw/zinc/52/27/43/1258522743.db2.gz XYQIRRMSZNOVLG-IKGGRYGDSA-N 1 3 366.506 0.107 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001085016567 1258522748 /nfs/dbraw/zinc/52/27/48/1258522748.db2.gz XYQIRRMSZNOVLG-IKGGRYGDSA-N 1 3 366.506 0.107 20 0 FCADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)C1=O ZINC001088211988 1258735134 /nfs/dbraw/zinc/73/51/34/1258735134.db2.gz JGCWHQYUAVODMI-FGTMMUONSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092773511 1258840118 /nfs/dbraw/zinc/84/01/18/1258840118.db2.gz OUNVFFHYYXFFNK-HZPDHXFCSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106662897 1258935789 /nfs/dbraw/zinc/93/57/89/1258935789.db2.gz JAZXPTUPIOMGNC-BRWVUGGUSA-N 1 3 366.506 0.014 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106785084 1258963929 /nfs/dbraw/zinc/96/39/29/1258963929.db2.gz WIMJHMOAOOURFY-IXDOHACOSA-N 1 3 368.522 0.165 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106910995 1258993938 /nfs/dbraw/zinc/99/39/38/1258993938.db2.gz ZNUVBIAOFVYFPS-IXDOHACOSA-N 1 3 368.522 0.165 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106909084 1258994522 /nfs/dbraw/zinc/99/45/22/1258994522.db2.gz DOKLJVYFKHHTGB-HUUCEWRRSA-N 1 3 362.478 0.441 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001107042697 1259024263 /nfs/dbraw/zinc/02/42/63/1259024263.db2.gz YMERNTMEIJYJSY-BRWVUGGUSA-N 1 3 368.522 0.163 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001127571447 1259181167 /nfs/dbraw/zinc/18/11/67/1259181167.db2.gz SDESTLBDZOYNEV-XKQJLSEDSA-N 1 3 366.506 0.106 20 0 FCADHO CN(C(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC1 ZINC001127571254 1259181627 /nfs/dbraw/zinc/18/16/27/1259181627.db2.gz OWPNTJZZYFUKOI-AEFFLSMTSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCCc2ccccc2)CC[N@@H+]1C ZINC001127643568 1259183556 /nfs/dbraw/zinc/18/35/56/1259183556.db2.gz ATTOTKQWYSHONX-SJLPKXTDSA-N 1 3 360.502 0.781 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCCc2ccccc2)CC[N@H+]1C ZINC001127643568 1259183559 /nfs/dbraw/zinc/18/35/59/1259183559.db2.gz ATTOTKQWYSHONX-SJLPKXTDSA-N 1 3 360.502 0.781 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659765 1259184642 /nfs/dbraw/zinc/18/46/42/1259184642.db2.gz JUVLTEGZQBZUEP-JJRVBVJISA-N 1 3 364.465 0.876 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659765 1259184645 /nfs/dbraw/zinc/18/46/45/1259184645.db2.gz JUVLTEGZQBZUEP-JJRVBVJISA-N 1 3 364.465 0.876 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001200554378 1259416647 /nfs/dbraw/zinc/41/66/47/1259416647.db2.gz JEGLGTWWJMEEOA-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001200554378 1259416651 /nfs/dbraw/zinc/41/66/51/1259416651.db2.gz JEGLGTWWJMEEOA-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CCN1CCN([C@H](C)C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384622 1259636289 /nfs/dbraw/zinc/63/62/89/1259636289.db2.gz PEJSOCPYJUTOIH-CRAIPNDOSA-N 1 3 369.531 0.739 20 0 FCADHO NC(=O)[C@@H](N)CCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001246414173 1259651925 /nfs/dbraw/zinc/65/19/25/1259651925.db2.gz HHHQLKAMMCBXTA-IPQPSQTFSA-N 1 3 360.502 0.991 20 0 FCADHO c1cncc(N2CCC[C@]3(C2)CN([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709146 1259666494 /nfs/dbraw/zinc/66/64/94/1259666494.db2.gz SDVYSRVBGUIOGA-PXNSSMCTSA-N 1 3 357.502 0.847 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738835 1259675657 /nfs/dbraw/zinc/67/56/57/1259675657.db2.gz OPJDZGKJAZAOLN-YKTARERQSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@@H]3CC[C@@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738835 1259675663 /nfs/dbraw/zinc/67/56/63/1259675663.db2.gz OPJDZGKJAZAOLN-YKTARERQSA-N 1 3 358.490 0.634 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246851433 1259691307 /nfs/dbraw/zinc/69/13/07/1259691307.db2.gz GBYXZTUWRXVYGR-PJIJBLCYSA-N 1 3 374.489 0.416 20 0 FCADHO COC(=O)[C@@H](N)CCc1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247653959 1259704198 /nfs/dbraw/zinc/70/41/98/1259704198.db2.gz BORXZMXWXRDTRR-INIZCTEOSA-N 1 3 373.457 0.917 20 0 FCADHO c1cc(-c2noc([C@@H]3C[NH2+]CC34CNC4)n2)ccc1CN1CCOCC1 ZINC001247828288 1259704311 /nfs/dbraw/zinc/70/43/11/1259704311.db2.gz CFLFTJCVIBUYOA-INIZCTEOSA-N 1 3 355.442 0.845 20 0 FCADHO CCOC[C@@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001252041930 1259776405 /nfs/dbraw/zinc/77/64/05/1259776405.db2.gz WINPGVJODJFAJD-MSOLQXFVSA-N 1 3 363.502 0.788 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001253186094 1259828485 /nfs/dbraw/zinc/82/84/85/1259828485.db2.gz WLHRGOBXXKXJQX-IAGOWNOFSA-N 1 3 370.538 0.831 20 0 FCADHO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001256030720 1259930769 /nfs/dbraw/zinc/93/07/69/1259930769.db2.gz CRDAIRSJDPUZMA-NCOADZHNSA-N 1 3 362.478 0.904 20 0 FCADHO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001256030720 1259930777 /nfs/dbraw/zinc/93/07/77/1259930777.db2.gz CRDAIRSJDPUZMA-NCOADZHNSA-N 1 3 362.478 0.904 20 0 FCADHO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]CC1(O)CCN(C)CC1 ZINC001335986073 1259931422 /nfs/dbraw/zinc/93/14/22/1259931422.db2.gz IYVFGYKBCBSJBF-AWEZNQCLSA-N 1 3 354.447 0.490 20 0 FCADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC001335988467 1259933132 /nfs/dbraw/zinc/93/31/32/1259933132.db2.gz WBIXRIKSRAQBRJ-INIZCTEOSA-N 1 3 351.447 0.431 20 0 FCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001336177373 1260027776 /nfs/dbraw/zinc/02/77/76/1260027776.db2.gz XKMOTQDVCVMMLE-HZPDHXFCSA-N 1 3 351.495 0.182 20 0 FCADHO CC(CN1CCC2(CCNC2=O)CC1)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001336841882 1260234614 /nfs/dbraw/zinc/23/46/14/1260234614.db2.gz IZGZDISLPOESSS-UHFFFAOYSA-N 1 3 362.518 0.827 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC001337337399 1260374711 /nfs/dbraw/zinc/37/47/11/1260374711.db2.gz ANXRDEBMIFAOEM-SFHVURJKSA-N 1 3 374.485 0.044 20 0 FCADHO COCCn1cc(CN2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)cn1 ZINC001278712845 1260720201 /nfs/dbraw/zinc/72/02/01/1260720201.db2.gz OEFOUTFRLWZBED-UHFFFAOYSA-N 1 3 363.506 0.906 20 0 FCADHO COCCn1cc(CN2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)cn1 ZINC001278712845 1260720207 /nfs/dbraw/zinc/72/02/07/1260720207.db2.gz OEFOUTFRLWZBED-UHFFFAOYSA-N 1 3 363.506 0.906 20 0 FCADHO CN(C)Cc1cccc(C(=O)N2[C@H]3COC[C@@H]2CN(CC[NH+](C)C)C3)c1 ZINC001278769515 1260728811 /nfs/dbraw/zinc/72/88/11/1260728811.db2.gz OFKASXOECJCWMP-KDURUIRLSA-N 1 3 360.502 0.835 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280119832 1261008919 /nfs/dbraw/zinc/00/89/19/1261008919.db2.gz GEQPWPGUPFQNGL-HUUCEWRRSA-N 1 3 355.446 0.360 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280119832 1261008923 /nfs/dbraw/zinc/00/89/23/1261008923.db2.gz GEQPWPGUPFQNGL-HUUCEWRRSA-N 1 3 355.446 0.360 20 0 FCADHO C[C@H]1CN(C(=O)C2=NO[C@@H]3CN(CC4CC[NH+](C)CC4)C[C@H]23)C[C@H](C)O1 ZINC001280125651 1261010826 /nfs/dbraw/zinc/01/08/26/1261010826.db2.gz MTEXEDSZVUXXPJ-NXNVCVFFSA-N 1 3 364.490 0.651 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2CN(C[C@@H]3CCCOC3)C[C@H]12 ZINC001280139252 1261014437 /nfs/dbraw/zinc/01/44/37/1261014437.db2.gz FPJPGSLUZZDSRZ-YESZJQIVSA-N 1 3 366.506 0.900 20 0 FCADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280155041 1261015863 /nfs/dbraw/zinc/01/58/63/1261015863.db2.gz VQTXTAGXGPBZGQ-HZPDHXFCSA-N 1 3 360.458 0.590 20 0 FCADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280155041 1261015870 /nfs/dbraw/zinc/01/58/70/1261015870.db2.gz VQTXTAGXGPBZGQ-HZPDHXFCSA-N 1 3 360.458 0.590 20 0 FCADHO Cc1cc(CN2C[C@H]3C(=O)NC4(CC[NH+](C[C@H](C)O)CC4)[C@@H]3C2)n(C)n1 ZINC001280188741 1261026060 /nfs/dbraw/zinc/02/60/60/1261026060.db2.gz JODHDCRLHCSQLS-USXIJHARSA-N 1 3 361.490 0.122 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC)N(C)C ZINC001281840757 1261225080 /nfs/dbraw/zinc/22/50/80/1261225080.db2.gz MRZOYHXBXWNXNC-BRWVUGGUSA-N 1 3 368.522 0.545 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001332408193 1266396138 /nfs/dbraw/zinc/39/61/38/1266396138.db2.gz HIUGKQFZNSRBQS-IAGOWNOFSA-N 1 3 362.522 0.543 20 0 FCADHO C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001479583623 1263265285 /nfs/dbraw/zinc/26/52/85/1263265285.db2.gz AFKDLRGOVPZPKR-CABCVRRESA-N 1 3 367.494 0.274 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC001580383945 1278199676 /nfs/dbraw/zinc/19/96/76/1278199676.db2.gz GEVHPFDBNLQOAG-KURKYZTESA-N 1 3 366.506 0.778 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001580390172 1278219629 /nfs/dbraw/zinc/21/96/29/1278219629.db2.gz WKQAAPGLCUVQNM-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001580390172 1278219648 /nfs/dbraw/zinc/21/96/48/1278219648.db2.gz WKQAAPGLCUVQNM-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001580390172 1278219660 /nfs/dbraw/zinc/21/96/60/1278219660.db2.gz WKQAAPGLCUVQNM-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001580390172 1278219681 /nfs/dbraw/zinc/21/96/81/1278219681.db2.gz WKQAAPGLCUVQNM-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001322598949 1264228093 /nfs/dbraw/zinc/22/80/93/1264228093.db2.gz WGDLITDUYNYUEI-DLBZAZTESA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001322823800 1264276605 /nfs/dbraw/zinc/27/66/05/1264276605.db2.gz PGBWHLRDUOIHFF-QGZVFWFLSA-N 1 3 364.465 0.881 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC001324937985 1264738954 /nfs/dbraw/zinc/73/89/54/1264738954.db2.gz OCFRDZSZQWHOBD-QGZVFWFLSA-N 1 3 368.522 0.213 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580406701 1278245286 /nfs/dbraw/zinc/24/52/86/1278245286.db2.gz UDMSMQJPBZECLE-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580406701 1278245296 /nfs/dbraw/zinc/24/52/96/1278245296.db2.gz UDMSMQJPBZECLE-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580407880 1278246994 /nfs/dbraw/zinc/24/69/94/1278246994.db2.gz QVPRUOBWDMTVCJ-DYVFJYSZSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580407880 1278247001 /nfs/dbraw/zinc/24/70/01/1278247001.db2.gz QVPRUOBWDMTVCJ-DYVFJYSZSA-N 1 3 369.473 0.803 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001334062545 1266800606 /nfs/dbraw/zinc/80/06/06/1266800606.db2.gz GSNIGKBBQZNNHC-MJGOQNOKSA-N 1 3 355.523 0.238 20 0 FCADHO O[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464274 1267949589 /nfs/dbraw/zinc/94/95/89/1267949589.db2.gz CBWZVLLUTJYJRX-OTWHNJEPSA-N 1 3 350.459 0.115 20 0 FCADHO O[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464274 1267949595 /nfs/dbraw/zinc/94/95/95/1267949595.db2.gz CBWZVLLUTJYJRX-OTWHNJEPSA-N 1 3 350.459 0.115 20 0 FCADHO O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001338688774 1268042750 /nfs/dbraw/zinc/04/27/50/1268042750.db2.gz UUBGDTZCKJHCTF-RBUKOAKNSA-N 1 3 373.501 0.052 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2Cc3ccccc3CN2)cnn1C ZINC001550114886 1268076256 /nfs/dbraw/zinc/07/62/56/1268076256.db2.gz BTORTELWRDMUKV-WDSOQIARSA-N 1 3 353.470 0.862 20 0 FCADHO Cn1nccc1[C@@H]1[C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)CCCN1C ZINC001550360540 1268105997 /nfs/dbraw/zinc/10/59/97/1268105997.db2.gz GGJJQFKNIRUMNV-YJBOKZPZSA-N 1 3 362.522 0.413 20 0 FCADHO Cn1nccc1[C@@H]1[C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)CCCN1C ZINC001550360540 1268106000 /nfs/dbraw/zinc/10/60/00/1268106000.db2.gz GGJJQFKNIRUMNV-YJBOKZPZSA-N 1 3 362.522 0.413 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC001550913262 1268184014 /nfs/dbraw/zinc/18/40/14/1268184014.db2.gz NISSLVIIUXABLP-VQIMIIECSA-N 1 3 350.507 0.919 20 0 FCADHO CC1CCC(NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550914716 1268184437 /nfs/dbraw/zinc/18/44/37/1268184437.db2.gz ZBHAPLBAXRJUQF-VLEUTVDFSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)(O)C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001550977646 1268188118 /nfs/dbraw/zinc/18/81/18/1268188118.db2.gz NFQORMBIRPBWIX-ZBFHGGJFSA-N 1 3 354.495 0.384 20 0 FCADHO CC(C)(O)C[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001550977646 1268188128 /nfs/dbraw/zinc/18/81/28/1268188128.db2.gz NFQORMBIRPBWIX-ZBFHGGJFSA-N 1 3 354.495 0.384 20 0 FCADHO CC[NH+](CC)C1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC001339346078 1268217201 /nfs/dbraw/zinc/21/72/01/1268217201.db2.gz LDZSODNYUWUSRE-UHFFFAOYSA-N 1 3 351.495 0.766 20 0 FCADHO CO[C@H]1C[C@H](C[NH3+])N(C(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551505819 1268261788 /nfs/dbraw/zinc/26/17/88/1268261788.db2.gz XFXQPATZVAENDY-NDUQDZPOSA-N 1 3 354.495 0.778 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551547589 1268264484 /nfs/dbraw/zinc/26/44/84/1268264484.db2.gz DOXMQLIORWJUMS-YJTLQXIOSA-N 1 3 363.506 0.594 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556707 1268268569 /nfs/dbraw/zinc/26/85/69/1268268569.db2.gz STKBQELHMZQHPZ-INMHGKMJSA-N 1 3 351.495 0.417 20 0 FCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001340248482 1268485741 /nfs/dbraw/zinc/48/57/41/1268485741.db2.gz INXXNDVRPHNPFM-NRFANRHFSA-N 1 3 374.529 0.815 20 0 FCADHO COCCN1CCC(NC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552692977 1268521593 /nfs/dbraw/zinc/52/15/93/1268521593.db2.gz DBQFMKHDOMANCW-ZBFHGGJFSA-N 1 3 350.467 0.561 20 0 FCADHO COc1ccccc1[C@@H](N)CNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553347402 1268634358 /nfs/dbraw/zinc/63/43/58/1268634358.db2.gz CFKIFVYFZWBKCH-ZDUSSCGKSA-N 1 3 361.471 0.991 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405052 1268645152 /nfs/dbraw/zinc/64/51/52/1268645152.db2.gz CVAPQVPJHCWVRT-QYZOEREBSA-N 1 3 358.486 0.570 20 0 FCADHO O=C(N[C@@H]1C[NH2+]CC12CCOCC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC001553512052 1268660680 /nfs/dbraw/zinc/66/06/80/1268660680.db2.gz VEITZNIKSQHYAF-HZPDHXFCSA-N 1 3 352.479 0.308 20 0 FCADHO C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553546588 1268666662 /nfs/dbraw/zinc/66/66/62/1268666662.db2.gz HYIFQIMUCIWDSK-CVEARBPZSA-N 1 3 365.522 0.747 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CCC[NH2+]C[C@@H]2F)CC1 ZINC001553546273 1268666715 /nfs/dbraw/zinc/66/67/15/1268666715.db2.gz GKJIUOAXJMXSOU-GJZGRUSLSA-N 1 3 369.485 0.592 20 0 FCADHO COC(=O)[C@@H]1CNCCCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC001340933263 1268714930 /nfs/dbraw/zinc/71/49/30/1268714930.db2.gz ZYIWPISSLZJETF-GPANFISMSA-N 1 3 353.463 0.241 20 0 FCADHO COC(=O)[C@@H]1CNCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001340933263 1268714935 /nfs/dbraw/zinc/71/49/35/1268714935.db2.gz ZYIWPISSLZJETF-GPANFISMSA-N 1 3 353.463 0.241 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)N(C)C ZINC001565975660 1269536962 /nfs/dbraw/zinc/53/69/62/1269536962.db2.gz ICWVKIWPNCGKCJ-ILXRZTDVSA-N 1 3 369.510 0.389 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001567035920 1269675294 /nfs/dbraw/zinc/67/52/94/1269675294.db2.gz LARIHNYVAUCBGV-AEFFLSMTSA-N 1 3 353.507 0.696 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CN(C)C(C)C ZINC001342930053 1269683850 /nfs/dbraw/zinc/68/38/50/1269683850.db2.gz LKIXBGLUIDLVOC-BFYDXBDKSA-N 1 3 356.511 0.255 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001343115356 1269781054 /nfs/dbraw/zinc/78/10/54/1269781054.db2.gz BPNIBHZRUAXWRO-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001343115356 1269781064 /nfs/dbraw/zinc/78/10/64/1269781064.db2.gz BPNIBHZRUAXWRO-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001343409170 1269901465 /nfs/dbraw/zinc/90/14/65/1269901465.db2.gz MHCBRAMWDYEXIL-GOSISDBHSA-N 1 3 373.501 0.269 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC001343425514 1269906087 /nfs/dbraw/zinc/90/60/87/1269906087.db2.gz UBODKMOEPLAAHO-UHFFFAOYSA-N 1 3 356.470 0.880 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1OC ZINC001572969872 1270427810 /nfs/dbraw/zinc/42/78/10/1270427810.db2.gz DSMKVVHNKUNADK-HZPDHXFCSA-N 1 3 354.495 0.155 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1OC ZINC001572969872 1270427814 /nfs/dbraw/zinc/42/78/14/1270427814.db2.gz DSMKVVHNKUNADK-HZPDHXFCSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574592071 1271390801 /nfs/dbraw/zinc/39/08/01/1271390801.db2.gz CJCFYXZNYBZXJZ-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574592071 1271390808 /nfs/dbraw/zinc/39/08/08/1271390808.db2.gz CJCFYXZNYBZXJZ-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595135 1271394459 /nfs/dbraw/zinc/39/44/59/1271394459.db2.gz DRMBOBVBMHQBMG-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595135 1271394465 /nfs/dbraw/zinc/39/44/65/1271394465.db2.gz DRMBOBVBMHQBMG-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595135 1271394467 /nfs/dbraw/zinc/39/44/67/1271394467.db2.gz DRMBOBVBMHQBMG-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595135 1271394472 /nfs/dbraw/zinc/39/44/72/1271394472.db2.gz DRMBOBVBMHQBMG-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598413 1271402502 /nfs/dbraw/zinc/40/25/02/1271402502.db2.gz QJKMWLZKIZYRDW-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598413 1271402505 /nfs/dbraw/zinc/40/25/05/1271402505.db2.gz QJKMWLZKIZYRDW-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598413 1271402508 /nfs/dbraw/zinc/40/25/08/1271402508.db2.gz QJKMWLZKIZYRDW-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598413 1271402512 /nfs/dbraw/zinc/40/25/12/1271402512.db2.gz QJKMWLZKIZYRDW-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574854313 1271605874 /nfs/dbraw/zinc/60/58/74/1271605874.db2.gz KZTUXMVOPODFLM-LBPRGKRZSA-N 1 3 373.436 0.696 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575115956 1271729589 /nfs/dbraw/zinc/72/95/89/1271729589.db2.gz UAGTXRTWGWELCV-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575115956 1271729599 /nfs/dbraw/zinc/72/95/99/1271729599.db2.gz UAGTXRTWGWELCV-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575115956 1271729610 /nfs/dbraw/zinc/72/96/10/1271729610.db2.gz UAGTXRTWGWELCV-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575115956 1271729621 /nfs/dbraw/zinc/72/96/21/1271729621.db2.gz UAGTXRTWGWELCV-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2ccncc2)c1 ZINC001576061993 1272810666 /nfs/dbraw/zinc/81/06/66/1272810666.db2.gz YATVMOJZMZIIBW-CJNGLKHVSA-N 1 3 366.429 0.821 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1CCN1CCC[C@H](C)C1 ZINC001576709925 1273578800 /nfs/dbraw/zinc/57/88/00/1273578800.db2.gz WQBVJOAGWMLDKI-GJZGRUSLSA-N 1 3 363.510 0.686 20 0 FCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001576772342 1273651674 /nfs/dbraw/zinc/65/16/74/1273651674.db2.gz MFXMEDDQGNEANA-JKSUJKDBSA-N 1 3 353.511 0.175 20 0 FCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576785201 1273675909 /nfs/dbraw/zinc/67/59/09/1273675909.db2.gz KRLGSWFGRJQZCX-MRXNPFEDSA-N 1 3 369.473 0.947 20 0 FCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576785201 1273675914 /nfs/dbraw/zinc/67/59/14/1273675914.db2.gz KRLGSWFGRJQZCX-MRXNPFEDSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001576802185 1273709852 /nfs/dbraw/zinc/70/98/52/1273709852.db2.gz WKEZRFRBIGTWCJ-HUUCEWRRSA-N 1 3 354.495 0.982 20 0 FCADHO CN1CCC[C@H]1c1cc(C(=O)N2CC[C@@H]([NH2+]CCc3c[nH]nn3)C2)n[nH]1 ZINC001576906157 1273916908 /nfs/dbraw/zinc/91/69/08/1273916908.db2.gz NWZJXCRTJMFBNY-CJNGLKHVSA-N 1 3 358.450 0.341 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001577869422 1275053003 /nfs/dbraw/zinc/05/30/03/1275053003.db2.gz BTYVTLWXVYAGDU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001577869422 1275053009 /nfs/dbraw/zinc/05/30/09/1275053009.db2.gz BTYVTLWXVYAGDU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001577869422 1275053012 /nfs/dbraw/zinc/05/30/12/1275053012.db2.gz BTYVTLWXVYAGDU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001577869422 1275053016 /nfs/dbraw/zinc/05/30/16/1275053016.db2.gz BTYVTLWXVYAGDU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578315631 1275654848 /nfs/dbraw/zinc/65/48/48/1275654848.db2.gz VBFLAHHMIPHYHK-IAGOWNOFSA-N 1 3 363.554 0.912 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1C[C@@H]2COC[C@H]2[NH2+]1 ZINC001578324164 1275669625 /nfs/dbraw/zinc/66/96/25/1275669625.db2.gz HKYOOSNTVNQPAB-IXDOHACOSA-N 1 3 362.522 0.995 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001578397580 1275772578 /nfs/dbraw/zinc/77/25/78/1275772578.db2.gz RGJXDHINBDKCKB-CABCVRRESA-N 1 3 353.511 0.616 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001578421715 1275790216 /nfs/dbraw/zinc/79/02/16/1275790216.db2.gz XYYMVVDBNILKEJ-UHFFFAOYSA-N 1 3 353.488 0.891 20 0 FCADHO C[NH2+][C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN(C)CCOC)C1 ZINC001578601277 1276033722 /nfs/dbraw/zinc/03/37/22/1276033722.db2.gz AYBXXBVHRFRJLZ-HOTGVXAUSA-N 1 3 366.510 0.548 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001578970705 1276514724 /nfs/dbraw/zinc/51/47/24/1276514724.db2.gz HGMUXKKQEAPLTK-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001578970705 1276514725 /nfs/dbraw/zinc/51/47/25/1276514725.db2.gz HGMUXKKQEAPLTK-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001578980522 1276540165 /nfs/dbraw/zinc/54/01/65/1276540165.db2.gz JRPCVVLLSXUIMR-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO C[NH+](C)CCC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001578980522 1276540173 /nfs/dbraw/zinc/54/01/73/1276540173.db2.gz JRPCVVLLSXUIMR-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021272 1276598997 /nfs/dbraw/zinc/59/89/97/1276598997.db2.gz LKLWLZIPKKSPGZ-HOTGVXAUSA-N 1 3 366.510 0.548 20 0 FCADHO COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021273 1276599460 /nfs/dbraw/zinc/59/94/60/1276599460.db2.gz LKLWLZIPKKSPGZ-HZPDHXFCSA-N 1 3 366.510 0.548 20 0 FCADHO COCCN(C)CCn1c(CC(C)C)nnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001579022489 1276601882 /nfs/dbraw/zinc/60/18/82/1276601882.db2.gz XBOHBQLVNIHHFX-IYBDPMFKSA-N 1 3 350.511 0.710 20 0 FCADHO COCCN1CCC(NC(=O)N2C[C@H](C)OC3(CC[NH2+]CC3)C2)CC1 ZINC001579038211 1276622273 /nfs/dbraw/zinc/62/22/73/1276622273.db2.gz DOQOJSUVKJRBNM-HNNXBMFYSA-N 1 3 354.495 0.650 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001579331243 1277159995 /nfs/dbraw/zinc/15/99/95/1277159995.db2.gz BNQKZXQVIIYDGW-ZDUSSCGKSA-N 1 3 373.436 0.696 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001579331243 1277159996 /nfs/dbraw/zinc/15/99/96/1277159996.db2.gz BNQKZXQVIIYDGW-ZDUSSCGKSA-N 1 3 373.436 0.696 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331691 1277163542 /nfs/dbraw/zinc/16/35/42/1277163542.db2.gz GPYIXTPUKBFDOS-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331691 1277163543 /nfs/dbraw/zinc/16/35/43/1277163543.db2.gz GPYIXTPUKBFDOS-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331691 1277163546 /nfs/dbraw/zinc/16/35/46/1277163546.db2.gz GPYIXTPUKBFDOS-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331691 1277163547 /nfs/dbraw/zinc/16/35/47/1277163547.db2.gz GPYIXTPUKBFDOS-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335804 1277175458 /nfs/dbraw/zinc/17/54/58/1277175458.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335804 1277175462 /nfs/dbraw/zinc/17/54/62/1277175462.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335804 1277175465 /nfs/dbraw/zinc/17/54/65/1277175465.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335804 1277175469 /nfs/dbraw/zinc/17/54/69/1277175469.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335804 1277175475 /nfs/dbraw/zinc/17/54/75/1277175475.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335804 1277175479 /nfs/dbraw/zinc/17/54/79/1277175479.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335804 1277175484 /nfs/dbraw/zinc/17/54/84/1277175484.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335804 1277175487 /nfs/dbraw/zinc/17/54/87/1277175487.db2.gz VLRRCDSXHOTVLN-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579347953 1277203701 /nfs/dbraw/zinc/20/37/01/1277203701.db2.gz RCJVGKKFXXKBMD-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579347953 1277203704 /nfs/dbraw/zinc/20/37/04/1277203704.db2.gz RCJVGKKFXXKBMD-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579347953 1277203707 /nfs/dbraw/zinc/20/37/07/1277203707.db2.gz RCJVGKKFXXKBMD-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579347953 1277203708 /nfs/dbraw/zinc/20/37/08/1277203708.db2.gz RCJVGKKFXXKBMD-XIRDDKMYSA-N 1 3 369.473 0.945 20 0 FCADHO CS[C@@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H]1N1CCCC1 ZINC001579370489 1277252974 /nfs/dbraw/zinc/25/29/74/1277252974.db2.gz QXLPOTBQFIZYJN-LSDHHAIUSA-N 1 3 352.508 0.669 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001579475685 1277381768 /nfs/dbraw/zinc/38/17/68/1277381768.db2.gz MJAWGYZSZZFMGB-ZBFHGGJFSA-N 1 3 359.474 0.379 20 0 FCADHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1-c1nnn[n-]1 ZINC001580027527 1277994109 /nfs/dbraw/zinc/99/41/09/1277994109.db2.gz CUXJLDSCIBZDHA-GFCCVEGCSA-N 1 3 361.450 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1-c1nn[n-]n1 ZINC001580027527 1277994114 /nfs/dbraw/zinc/99/41/14/1277994114.db2.gz CUXJLDSCIBZDHA-GFCCVEGCSA-N 1 3 361.450 0.421 20 0 FCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580270193 1278062716 /nfs/dbraw/zinc/06/27/16/1278062716.db2.gz KFUFWQDUEFCYKU-LBPRGKRZSA-N 1 3 373.436 0.696 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580279820 1278076013 /nfs/dbraw/zinc/07/60/13/1278076013.db2.gz IDUYNQXDJREKLE-ZDUSSCGKSA-N 1 3 355.446 0.557 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580279820 1278076023 /nfs/dbraw/zinc/07/60/23/1278076023.db2.gz IDUYNQXDJREKLE-ZDUSSCGKSA-N 1 3 355.446 0.557 20 0 FCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@@H](O)CC2(O)CCCCC2)C1 ZINC001580857873 1279052920 /nfs/dbraw/zinc/05/29/20/1279052920.db2.gz ADONYCHRAWAMCS-JONQDZQNSA-N 1 3 353.463 0.300 20 0 FCADHO Cc1cc(N[C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988780 1279188184 /nfs/dbraw/zinc/18/81/84/1279188184.db2.gz URQHAOMJPZKJDO-LRDDRELGSA-N 1 3 374.493 0.885 20 0 FCADHO Cc1cc(NCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026314 1279259117 /nfs/dbraw/zinc/25/91/17/1279259117.db2.gz CNTNNXIDLQYYPI-OAHLLOKOSA-N 1 3 360.466 0.496 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030873 1279268419 /nfs/dbraw/zinc/26/84/19/1279268419.db2.gz RTJXXUUBFQNIJR-IUODEOHRSA-N 1 3 360.466 0.495 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)C1CCC1 ZINC001682241181 1283543350 /nfs/dbraw/zinc/54/33/50/1283543350.db2.gz BFYXJCRWZAZTCJ-DOTOQJQBSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001591104554 1284178076 /nfs/dbraw/zinc/17/80/76/1284178076.db2.gz OOJGMFBINQORFA-KRWDZBQOSA-N 1 3 369.473 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001591104554 1284178083 /nfs/dbraw/zinc/17/80/83/1284178083.db2.gz OOJGMFBINQORFA-KRWDZBQOSA-N 1 3 369.473 0.757 20 0 FCADHO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1-c1nnn[n-]1 ZINC001591526492 1284712375 /nfs/dbraw/zinc/71/23/75/1284712375.db2.gz SOPVRQLNBSMGKW-CYBMUJFWSA-N 1 3 359.434 0.162 20 0 FCADHO COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1-c1nnn[n-]1 ZINC001591526492 1284712390 /nfs/dbraw/zinc/71/23/90/1284712390.db2.gz SOPVRQLNBSMGKW-CYBMUJFWSA-N 1 3 359.434 0.162 20 0 FCADHO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[n-]n1 ZINC001591526492 1284712403 /nfs/dbraw/zinc/71/24/03/1284712403.db2.gz SOPVRQLNBSMGKW-CYBMUJFWSA-N 1 3 359.434 0.162 20 0 FCADHO COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[n-]n1 ZINC001591526492 1284712414 /nfs/dbraw/zinc/71/24/14/1284712414.db2.gz SOPVRQLNBSMGKW-CYBMUJFWSA-N 1 3 359.434 0.162 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001604849233 1287797408 /nfs/dbraw/zinc/79/74/08/1287797408.db2.gz GBOCUDNOWGEOMH-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001604849233 1287797413 /nfs/dbraw/zinc/79/74/13/1287797413.db2.gz GBOCUDNOWGEOMH-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001604849233 1287797417 /nfs/dbraw/zinc/79/74/17/1287797417.db2.gz GBOCUDNOWGEOMH-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001604849233 1287797421 /nfs/dbraw/zinc/79/74/21/1287797421.db2.gz GBOCUDNOWGEOMH-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001703515973 1286116249 /nfs/dbraw/zinc/11/62/49/1286116249.db2.gz PZZIEVJQGREIMU-GDBMZVCRSA-N 1 3 361.490 0.956 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001703515973 1286116254 /nfs/dbraw/zinc/11/62/54/1286116254.db2.gz PZZIEVJQGREIMU-GDBMZVCRSA-N 1 3 361.490 0.956 20 0 FCADHO c1cc(C2([NH2+]CCN3CC[NH2+]CC3)CCOCC2)ccc1-c1nnn[n-]1 ZINC001593551087 1286200795 /nfs/dbraw/zinc/20/07/95/1286200795.db2.gz CESZLULCRHQMKG-UHFFFAOYSA-N 1 3 357.462 0.367 20 0 FCADHO c1cc(C2([NH2+]CCN3CC[NH2+]CC3)CCOCC2)ccc1-c1nn[n-]n1 ZINC001593551087 1286200800 /nfs/dbraw/zinc/20/08/00/1286200800.db2.gz CESZLULCRHQMKG-UHFFFAOYSA-N 1 3 357.462 0.367 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2(N(C)C)CCC2)C2CC2)CC[N@@H+]1C ZINC001704400362 1286243002 /nfs/dbraw/zinc/24/30/02/1286243002.db2.gz HMLFQBSLNDVDPP-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(C(=O)C2(N(C)C)CCC2)C2CC2)CC[N@H+]1C ZINC001704400362 1286243007 /nfs/dbraw/zinc/24/30/07/1286243007.db2.gz HMLFQBSLNDVDPP-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001719282773 1288020334 /nfs/dbraw/zinc/02/03/34/1288020334.db2.gz GIFZFVBNPTWAHV-ZACQAIPSSA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001719282773 1288020337 /nfs/dbraw/zinc/02/03/37/1288020337.db2.gz GIFZFVBNPTWAHV-ZACQAIPSSA-N 1 3 366.506 0.033 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001732062933 1288572655 /nfs/dbraw/zinc/57/26/55/1288572655.db2.gz CKPRNXBCTCIBTF-CEXWTWQISA-N 1 3 366.550 0.972 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001732062933 1288572659 /nfs/dbraw/zinc/57/26/59/1288572659.db2.gz CKPRNXBCTCIBTF-CEXWTWQISA-N 1 3 366.550 0.972 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001736233132 1289212334 /nfs/dbraw/zinc/21/23/34/1289212334.db2.gz FJCWOLIECIJDMQ-SJORKVTESA-N 1 3 352.523 0.977 20 0 FCADHO C[C@@H](CCNCC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102942 1289546451 /nfs/dbraw/zinc/54/64/51/1289546451.db2.gz WJPNMIWXZGOBHW-YNEHKIRRSA-N 1 3 353.492 0.906 20 0 FCADHO C[C@@H](CCNCC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699102942 1289546456 /nfs/dbraw/zinc/54/64/56/1289546456.db2.gz WJPNMIWXZGOBHW-YNEHKIRRSA-N 1 3 353.492 0.906 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001702312485 1290012441 /nfs/dbraw/zinc/01/24/41/1290012441.db2.gz YNOOSLQEIUJSOC-KLHDSHLOSA-N 1 3 366.506 0.153 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001702312485 1290012449 /nfs/dbraw/zinc/01/24/49/1290012449.db2.gz YNOOSLQEIUJSOC-KLHDSHLOSA-N 1 3 366.506 0.153 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OC ZINC001702320007 1290037823 /nfs/dbraw/zinc/03/78/23/1290037823.db2.gz JJMGGPJQVOPBGH-HUUCEWRRSA-N 1 3 351.451 0.026 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OC ZINC001702320007 1290037833 /nfs/dbraw/zinc/03/78/33/1290037833.db2.gz JJMGGPJQVOPBGH-HUUCEWRRSA-N 1 3 351.451 0.026 20 0 FCADHO C[C@@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001653481981 1291347372 /nfs/dbraw/zinc/34/73/72/1291347372.db2.gz BUMJWSOLABFZBN-APWZRJJASA-N 1 3 363.502 0.688 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689083825 1294601828 /nfs/dbraw/zinc/60/18/28/1294601828.db2.gz PPABDJQMYDVOMG-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO Cc1cc(NC(=O)CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001691786401 1294922674 /nfs/dbraw/zinc/92/26/74/1294922674.db2.gz YUVCIBWABCYTBI-KBUPBQIOSA-N 1 3 363.462 0.746 20 0 FCADHO Cc1cc(NC(=O)CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001691786401 1294922683 /nfs/dbraw/zinc/92/26/83/1294922683.db2.gz YUVCIBWABCYTBI-KBUPBQIOSA-N 1 3 363.462 0.746 20 0 FCADHO C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNCCS(C)(=O)=O)C1 ZINC001691837967 1294934315 /nfs/dbraw/zinc/93/43/15/1294934315.db2.gz SUHWGTIFQJEMSG-CABCVRRESA-N 1 3 359.536 0.590 20 0 FCADHO CNC(=O)CN1CCCC12CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164685784 719696206 /nfs/dbraw/zinc/69/62/06/719696206.db2.gz MAYHGTJCWURMGR-UHFFFAOYSA-N 1 3 358.490 0.346 20 0 FCADHO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5c4CNC5)C3)O2)CC1 ZINC001164889755 721399502 /nfs/dbraw/zinc/39/95/02/721399502.db2.gz MEBMAWRTCCNQLB-OXQOHEQNSA-N 1 3 372.517 0.845 20 0 FCADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CCNC2 ZINC001164930816 721852973 /nfs/dbraw/zinc/85/29/73/721852973.db2.gz SUQZLZRBNHQFAC-LSDHHAIUSA-N 1 3 350.898 0.990 20 0 FCADHO CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000382750255 836050728 /nfs/dbraw/zinc/05/07/28/836050728.db2.gz FIOXMMRONCAFLT-QGZVFWFLSA-N 1 3 352.504 0.590 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101266640 844126447 /nfs/dbraw/zinc/12/64/47/844126447.db2.gz MWPQEPJULNMIGE-AEFFLSMTSA-N 1 3 353.507 0.914 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101266640 844126455 /nfs/dbraw/zinc/12/64/55/844126455.db2.gz MWPQEPJULNMIGE-AEFFLSMTSA-N 1 3 353.507 0.914 20 0 FCADHO CC(C)N(C)C(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352628 844156639 /nfs/dbraw/zinc/15/66/39/844156639.db2.gz IDSQJFWUSPNQKK-FCEWJHQRSA-N 1 3 352.523 0.974 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061741513 836713245 /nfs/dbraw/zinc/71/32/45/836713245.db2.gz SSUZNNWOGDQYRF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061741513 836713249 /nfs/dbraw/zinc/71/32/49/836713249.db2.gz SSUZNNWOGDQYRF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477089 844202259 /nfs/dbraw/zinc/20/22/59/844202259.db2.gz BZSPCPGYJWUKFW-GJYPPUQNSA-N 1 3 350.507 0.728 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477089 844202268 /nfs/dbraw/zinc/20/22/68/844202268.db2.gz BZSPCPGYJWUKFW-GJYPPUQNSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065178127 836819341 /nfs/dbraw/zinc/81/93/41/836819341.db2.gz NRJQFNWCFKMWQK-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065178127 836819355 /nfs/dbraw/zinc/81/93/55/836819355.db2.gz NRJQFNWCFKMWQK-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975814 844356345 /nfs/dbraw/zinc/35/63/45/844356345.db2.gz CPLRRBYTBXDAOI-DJIMGWMZSA-N 1 3 350.507 0.537 20 0 FCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077280902 838872017 /nfs/dbraw/zinc/87/20/17/838872017.db2.gz PHCHTEPWDKYVSL-FGTMMUONSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077280902 838872024 /nfs/dbraw/zinc/87/20/24/838872024.db2.gz PHCHTEPWDKYVSL-FGTMMUONSA-N 1 3 353.507 0.695 20 0 FCADHO CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051807 844397136 /nfs/dbraw/zinc/39/71/36/844397136.db2.gz NXGAMXRGIIULLI-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051807 844397141 /nfs/dbraw/zinc/39/71/41/844397141.db2.gz NXGAMXRGIIULLI-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO COCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171417 844434251 /nfs/dbraw/zinc/43/42/51/844434251.db2.gz WXTLQVYOYARWPI-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO COCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171417 844434254 /nfs/dbraw/zinc/43/42/54/844434254.db2.gz WXTLQVYOYARWPI-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO CCN1CC[C@H](N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102290709 844459397 /nfs/dbraw/zinc/45/93/97/844459397.db2.gz RSJXZRYIYZXKOT-OAGGEKHMSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320575 844466305 /nfs/dbraw/zinc/46/63/05/844466305.db2.gz IWXWXDSIJVIOMK-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102368231 844476147 /nfs/dbraw/zinc/47/61/47/844476147.db2.gz LYRGCYZNDZHPFM-BFYDXBDKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102368231 844476153 /nfs/dbraw/zinc/47/61/53/844476153.db2.gz LYRGCYZNDZHPFM-BFYDXBDKSA-N 1 3 350.507 0.681 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C)N(C)C ZINC001102377756 844480734 /nfs/dbraw/zinc/48/07/34/844480734.db2.gz FWMNTRWKKNEHBW-XYPHTWIQSA-N 1 3 350.511 0.919 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C)N(C)C ZINC001102377756 844480737 /nfs/dbraw/zinc/48/07/37/844480737.db2.gz FWMNTRWKKNEHBW-XYPHTWIQSA-N 1 3 350.511 0.919 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430324 844496866 /nfs/dbraw/zinc/49/68/66/844496866.db2.gz MQZYCJHAAIOJRY-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433982 844496932 /nfs/dbraw/zinc/49/69/32/844496932.db2.gz JMPYDZAWCBJTTQ-HLLBOEOZSA-N 1 3 352.523 0.879 20 0 FCADHO CO[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893524 840090208 /nfs/dbraw/zinc/09/02/08/840090208.db2.gz VDFILABFARAYRH-GVDBMIGSSA-N 1 3 351.491 0.857 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102473693 844516375 /nfs/dbraw/zinc/51/63/75/844516375.db2.gz LBLOOEFOBPIBTB-ZACQAIPSSA-N 1 3 351.495 0.270 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102473693 844516369 /nfs/dbraw/zinc/51/63/69/844516369.db2.gz LBLOOEFOBPIBTB-ZACQAIPSSA-N 1 3 351.495 0.270 20 0 FCADHO CO[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328807 840313786 /nfs/dbraw/zinc/31/37/86/840313786.db2.gz MMIXNBLDHWQLBD-GVDBMIGSSA-N 1 3 351.491 0.714 20 0 FCADHO Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559812 840465506 /nfs/dbraw/zinc/46/55/06/840465506.db2.gz PVMLUHSQHQFYQJ-DAXOMENPSA-N 1 3 366.531 0.995 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082561859 840466672 /nfs/dbraw/zinc/46/66/72/840466672.db2.gz WRSGBNWUQQAEEE-UKRRQHHQSA-N 1 3 350.463 0.056 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525324 844553928 /nfs/dbraw/zinc/55/39/28/844553928.db2.gz WRNAYYZXGHCCSB-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525324 844553930 /nfs/dbraw/zinc/55/39/30/844553930.db2.gz WRNAYYZXGHCCSB-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596309 844587669 /nfs/dbraw/zinc/58/76/69/844587669.db2.gz YQIRNEJURZWKLP-IAGOWNOFSA-N 1 3 350.507 0.779 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600616 844592014 /nfs/dbraw/zinc/59/20/14/844592014.db2.gz MYGPDVCOWXFYGP-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600616 844592019 /nfs/dbraw/zinc/59/20/19/844592019.db2.gz MYGPDVCOWXFYGP-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@H]1COC(C)(C)O1)C2 ZINC001275812756 861203900 /nfs/dbraw/zinc/20/39/00/861203900.db2.gz HZDODYZSGCYHMC-MAUKXSAKSA-N 1 3 355.479 0.250 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083832923 841477556 /nfs/dbraw/zinc/47/75/56/841477556.db2.gz AOMIUOHHPSAAEZ-KSZLIROESA-N 1 3 353.507 0.839 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001275845541 861225578 /nfs/dbraw/zinc/22/55/78/861225578.db2.gz YGCJUEYRPUNROC-LJQANCHMSA-N 1 3 351.539 0.110 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001275845541 861225592 /nfs/dbraw/zinc/22/55/92/861225592.db2.gz YGCJUEYRPUNROC-LJQANCHMSA-N 1 3 351.539 0.110 20 0 FCADHO CC[NH+]1CCC(CN2CC[C@@]3(C2)CN([C@@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877805 861239850 /nfs/dbraw/zinc/23/98/50/861239850.db2.gz GEMDJTVFZLFJKE-HNAYVOBHSA-N 1 3 351.491 0.999 20 0 FCADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001087208164 842319195 /nfs/dbraw/zinc/31/91/95/842319195.db2.gz QGCSBJWPNUYIHA-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001088317829 842568674 /nfs/dbraw/zinc/56/86/74/842568674.db2.gz PLIQJZYBPPHKJY-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001088317829 842568676 /nfs/dbraw/zinc/56/86/76/842568676.db2.gz PLIQJZYBPPHKJY-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071906 843153101 /nfs/dbraw/zinc/15/31/01/843153101.db2.gz JJACOLPCVWALPB-GJYPPUQNSA-N 1 3 350.507 0.763 20 0 FCADHO COCCC[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276316147 861409087 /nfs/dbraw/zinc/40/90/87/861409087.db2.gz RSFHTZNOWAKUBW-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO COCCC[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276316147 861409093 /nfs/dbraw/zinc/40/90/93/861409093.db2.gz RSFHTZNOWAKUBW-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001276309347 861405685 /nfs/dbraw/zinc/40/56/85/861405685.db2.gz WLQNBYQFRZWTKW-RCCFBDPRSA-N 1 3 350.507 0.872 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001276309347 861405689 /nfs/dbraw/zinc/40/56/89/861405689.db2.gz WLQNBYQFRZWTKW-RCCFBDPRSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931232 843347513 /nfs/dbraw/zinc/34/75/13/843347513.db2.gz INPLAYCKQMNXKI-GDBMZVCRSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937105 843348371 /nfs/dbraw/zinc/34/83/71/843348371.db2.gz OLYBJQWXPPZAQD-HLLBOEOZSA-N 1 3 371.547 0.447 20 0 FCADHO COCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276315393 861408861 /nfs/dbraw/zinc/40/88/61/861408861.db2.gz JMOYZZAYIRYMOE-QZTJIDSGSA-N 1 3 352.523 0.726 20 0 FCADHO COCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276315393 861408869 /nfs/dbraw/zinc/40/88/69/861408869.db2.gz JMOYZZAYIRYMOE-QZTJIDSGSA-N 1 3 352.523 0.726 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093277617 843419980 /nfs/dbraw/zinc/41/99/80/843419980.db2.gz JFDWXIYMFREWIS-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380182 844745483 /nfs/dbraw/zinc/74/54/83/844745483.db2.gz IMEJWGOHQWUNFS-HZPDHXFCSA-N 1 3 361.552 0.837 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001103444024 844760351 /nfs/dbraw/zinc/76/03/51/844760351.db2.gz XGDADOHWURZXJL-OIISXLGYSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001103444024 844760356 /nfs/dbraw/zinc/76/03/56/844760356.db2.gz XGDADOHWURZXJL-OIISXLGYSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722474 844806984 /nfs/dbraw/zinc/80/69/84/844806984.db2.gz OQODCSLBUKNJAR-IXDOHACOSA-N 1 3 371.547 0.591 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722474 844806988 /nfs/dbraw/zinc/80/69/88/844806988.db2.gz OQODCSLBUKNJAR-IXDOHACOSA-N 1 3 371.547 0.591 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103755421 844816716 /nfs/dbraw/zinc/81/67/16/844816716.db2.gz GNEHMJZHVGENFL-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103755421 844816718 /nfs/dbraw/zinc/81/67/18/844816718.db2.gz GNEHMJZHVGENFL-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103754581 844816758 /nfs/dbraw/zinc/81/67/58/844816758.db2.gz LWJMIRCWTBRJBA-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103754581 844816760 /nfs/dbraw/zinc/81/67/60/844816760.db2.gz LWJMIRCWTBRJBA-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104294463 844891649 /nfs/dbraw/zinc/89/16/49/844891649.db2.gz QQWNNKVMNVFOFX-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001104641383 844928805 /nfs/dbraw/zinc/92/88/05/844928805.db2.gz OZQGKPFFYQMILD-IIDMSEBBSA-N 1 3 352.523 0.925 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001104691665 844933590 /nfs/dbraw/zinc/93/35/90/844933590.db2.gz QQAWZROZBPACFB-OAGGEKHMSA-N 1 3 361.552 0.836 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104938341 844961404 /nfs/dbraw/zinc/96/14/04/844961404.db2.gz UQURKDACHOLCOF-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001105067145 844976911 /nfs/dbraw/zinc/97/69/11/844976911.db2.gz OUUDIRBXBQRTDH-HZPDHXFCSA-N 1 3 361.552 0.836 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105642925 845007341 /nfs/dbraw/zinc/00/73/41/845007341.db2.gz OUOACZCGARFBQY-OAFZBRQQSA-N 1 3 355.523 0.675 20 0 FCADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667278 845013649 /nfs/dbraw/zinc/01/36/49/845013649.db2.gz AFOFIIBBCBKPJK-RWQQGDIJSA-N 1 3 355.523 0.677 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106249536 845143312 /nfs/dbraw/zinc/14/33/12/845143312.db2.gz JUGJBRQFURXXFB-SIIHOXLZSA-N 1 3 350.507 0.632 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106254982 845144251 /nfs/dbraw/zinc/14/42/51/845144251.db2.gz DNDLKHABXLWGHF-HUUCEWRRSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106339953 845159501 /nfs/dbraw/zinc/15/95/01/845159501.db2.gz GYGMOMVLBAWPLL-MCIONIFRSA-N 1 3 352.479 0.206 20 0 FCADHO CCn1cc(CNC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001106881056 845277597 /nfs/dbraw/zinc/27/75/97/845277597.db2.gz SZEVFDUQMCZUQR-HUUCEWRRSA-N 1 3 352.483 0.060 20 0 FCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H](O)C(=O)OC(C)(C)C ZINC001276819311 861629578 /nfs/dbraw/zinc/62/95/78/861629578.db2.gz SXMGSLOWHCYXHA-RBSFLKMASA-N 1 3 355.479 0.316 20 0 FCADHO CCOCC[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276874698 861663009 /nfs/dbraw/zinc/66/30/09/861663009.db2.gz OLNOGRYNUKMUJS-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO CCOCC[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276874698 861663013 /nfs/dbraw/zinc/66/30/13/861663013.db2.gz OLNOGRYNUKMUJS-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO CCOC(=O)CCCN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276887960 861669834 /nfs/dbraw/zinc/66/98/34/861669834.db2.gz LDTZXJNUTVENOW-GOSISDBHSA-N 1 3 355.479 0.442 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCCC2=O)C1 ZINC001112159003 846425706 /nfs/dbraw/zinc/42/57/06/846425706.db2.gz KKDWPQRRAPFOQJ-CHWSQXEVSA-N 1 3 364.412 0.539 20 0 FCADHO COC[C@H](O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112192993 846451566 /nfs/dbraw/zinc/45/15/66/846451566.db2.gz FCLAXKPGILLARO-JHJVBQTASA-N 1 3 365.396 0.068 20 0 FCADHO COCCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206647 846463755 /nfs/dbraw/zinc/46/37/55/846463755.db2.gz ZHJJGGIQKNQLGY-BFHYXJOUSA-N 1 3 367.412 0.580 20 0 FCADHO COCCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206647 846463759 /nfs/dbraw/zinc/46/37/59/846463759.db2.gz ZHJJGGIQKNQLGY-BFHYXJOUSA-N 1 3 367.412 0.580 20 0 FCADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530080 846516088 /nfs/dbraw/zinc/51/60/88/846516088.db2.gz CDHIPAOWLLVWON-KXBFYZLASA-N 1 3 350.507 0.683 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC001118100850 847278253 /nfs/dbraw/zinc/27/82/53/847278253.db2.gz ZLCSQZWQOSUATE-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001120554171 848240732 /nfs/dbraw/zinc/24/07/32/848240732.db2.gz GXGHPHQTUMCWEW-CABCVRRESA-N 1 3 351.495 0.357 20 0 FCADHO CCN1C[C@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@H]1C ZINC001121362753 848344215 /nfs/dbraw/zinc/34/42/15/848344215.db2.gz QGWDSPBWAOAJMI-CABCVRRESA-N 1 3 350.511 0.906 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652902 848731890 /nfs/dbraw/zinc/73/18/90/848731890.db2.gz GXAIGVDCWPTDQK-SQWLQELKSA-N 1 3 366.531 0.841 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652902 848731901 /nfs/dbraw/zinc/73/19/01/848731901.db2.gz GXAIGVDCWPTDQK-SQWLQELKSA-N 1 3 366.531 0.841 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)C)CC[N@@H+]1C ZINC001127706535 848733178 /nfs/dbraw/zinc/73/31/78/848733178.db2.gz MJBNANWYRREBKK-MELADBBJSA-N 1 3 355.483 0.045 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001127706535 848733184 /nfs/dbraw/zinc/73/31/84/848733184.db2.gz MJBNANWYRREBKK-MELADBBJSA-N 1 3 355.483 0.045 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129899587 848910642 /nfs/dbraw/zinc/91/06/42/848910642.db2.gz AHACRGDWYHDSRR-PMPSAXMXSA-N 1 3 352.483 0.242 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899944 848910748 /nfs/dbraw/zinc/91/07/48/848910748.db2.gz SUDPQOVYNLPQFV-XHSDSOJGSA-N 1 3 350.467 0.140 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899944 848910755 /nfs/dbraw/zinc/91/07/55/848910755.db2.gz SUDPQOVYNLPQFV-XHSDSOJGSA-N 1 3 350.467 0.140 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129899748 848910784 /nfs/dbraw/zinc/91/07/84/848910784.db2.gz KGIZAXZGKVQERL-PMPSAXMXSA-N 1 3 352.483 0.242 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001130009344 848931024 /nfs/dbraw/zinc/93/10/24/848931024.db2.gz KMAPQJJTQWOQGZ-PMPSAXMXSA-N 1 3 352.483 0.386 20 0 FCADHO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1)OC ZINC001130047571 848936538 /nfs/dbraw/zinc/93/65/38/848936538.db2.gz IBSDPQLMEFWJJW-XHSDSOJGSA-N 1 3 352.483 0.386 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130615685 849019839 /nfs/dbraw/zinc/01/98/39/849019839.db2.gz XDGTWMIFZSYZOB-USXIJHARSA-N 1 3 351.495 0.681 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)N(C)C ZINC001130662062 849024633 /nfs/dbraw/zinc/02/46/33/849024633.db2.gz IYSKPGZFIMIOAO-USXIJHARSA-N 1 3 351.495 0.273 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737003 849030976 /nfs/dbraw/zinc/03/09/76/849030976.db2.gz UELMHYSFBNEIJB-HLLBOEOZSA-N 1 3 351.495 0.679 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cncs1 ZINC001131068280 849077094 /nfs/dbraw/zinc/07/70/94/849077094.db2.gz XABNSEBNAYUFEL-HUUCEWRRSA-N 1 3 362.503 0.913 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1)N(C)C ZINC001131072252 849077127 /nfs/dbraw/zinc/07/71/27/849077127.db2.gz PUCBIZWXYXQFEY-OAGGEKHMSA-N 1 3 351.495 0.681 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131130345 849082079 /nfs/dbraw/zinc/08/20/79/849082079.db2.gz HQCJIAANLLLOKC-ARFHVFGLSA-N 1 3 351.495 0.679 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131132406 849082908 /nfs/dbraw/zinc/08/29/08/849082908.db2.gz JOFDQFZVGXEGGL-ARFHVFGLSA-N 1 3 351.495 0.679 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564350 849123433 /nfs/dbraw/zinc/12/34/33/849123433.db2.gz IPSZBOAKYKQUSE-QAPCUYQASA-N 1 3 354.495 0.060 20 0 FCADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277695615 862000366 /nfs/dbraw/zinc/00/03/66/862000366.db2.gz QEMAJYJAQAXHOL-BXUZGUMPSA-N 1 3 351.369 0.312 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCOCCOC)C3)CC[N@@H+]1C ZINC001147583533 849586755 /nfs/dbraw/zinc/58/67/55/849586755.db2.gz UCGPJKJJUYSWNH-DLBZAZTESA-N 1 3 353.507 0.914 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCOCCOC)C3)CC[N@H+]1C ZINC001147583533 849586757 /nfs/dbraw/zinc/58/67/57/849586757.db2.gz UCGPJKJJUYSWNH-DLBZAZTESA-N 1 3 353.507 0.914 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)(C)O)CC1 ZINC001277761159 862056174 /nfs/dbraw/zinc/05/61/74/862056174.db2.gz JKPSQBIVVPLLTQ-IAGOWNOFSA-N 1 3 352.523 0.460 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC(C)(C)O)CC1 ZINC001277761159 862056187 /nfs/dbraw/zinc/05/61/87/862056187.db2.gz JKPSQBIVVPLLTQ-IAGOWNOFSA-N 1 3 352.523 0.460 20 0 FCADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102210 850018071 /nfs/dbraw/zinc/01/80/71/850018071.db2.gz PFMRQLOVTBJWQH-YOEHRIQHSA-N 1 3 350.850 0.161 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250509 850029681 /nfs/dbraw/zinc/02/96/81/850029681.db2.gz UMJRBQYACGLWMD-JOMGAKPTSA-N 1 3 355.426 0.758 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCCNCCS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001158379488 850041500 /nfs/dbraw/zinc/04/15/00/850041500.db2.gz AQSIFDXLZLOCSB-NVXWUHKLSA-N 1 3 367.515 0.896 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCCNCCS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001158379488 850041511 /nfs/dbraw/zinc/04/15/11/850041511.db2.gz AQSIFDXLZLOCSB-NVXWUHKLSA-N 1 3 367.515 0.896 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](N)C(C)(C)C)C2 ZINC001158386660 850044211 /nfs/dbraw/zinc/04/42/11/850044211.db2.gz ZWRHKSXLXPAJOW-LKTVYLICSA-N 1 3 365.396 0.903 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2nnc(C)s2)CC[N@@H+]1C ZINC001158403336 850046202 /nfs/dbraw/zinc/04/62/02/850046202.db2.gz FTEPXMWBYNMOBC-QWHCGFSZSA-N 1 3 368.507 0.611 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2nnc(C)s2)CC[N@H+]1C ZINC001158403336 850046211 /nfs/dbraw/zinc/04/62/11/850046211.db2.gz FTEPXMWBYNMOBC-QWHCGFSZSA-N 1 3 368.507 0.611 20 0 FCADHO CN1CCC(N(c2ncc(Cl)nc2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158580267 850062257 /nfs/dbraw/zinc/06/22/57/850062257.db2.gz ACNVWJKRUYTTMH-UHFFFAOYSA-N 1 3 352.870 0.882 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159904443 850143756 /nfs/dbraw/zinc/14/37/56/850143756.db2.gz BGQDLOUDAAVIFU-VYDXJSESSA-N 1 3 366.487 0.240 20 0 FCADHO COC[C@@H]1COCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001160057105 850150850 /nfs/dbraw/zinc/15/08/50/850150850.db2.gz GEZRAGCIWDLZCZ-GPMSIDNRSA-N 1 3 351.491 0.477 20 0 FCADHO C[NH+](C)CCOCc1ncn2c1CN(C(=O)C(N)C(F)(F)F)CCC2 ZINC001160372166 850168849 /nfs/dbraw/zinc/16/88/49/850168849.db2.gz OUHQEKDDADMDTD-ZDUSSCGKSA-N 1 3 363.384 0.583 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637830 850186386 /nfs/dbraw/zinc/18/63/86/850186386.db2.gz PSEFTEXMNKHRJK-INIZCTEOSA-N 1 3 354.495 0.332 20 0 FCADHO CO[C@H](CN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1)c1ccccc1 ZINC001160906666 850212335 /nfs/dbraw/zinc/21/23/35/850212335.db2.gz KAQJCIJKQGXAEV-DLBZAZTESA-N 1 3 366.531 0.538 20 0 FCADHO CC(C)(C)[C@@H](N)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196452 850238540 /nfs/dbraw/zinc/23/85/40/850238540.db2.gz IHRRGIVPLQPFRW-KRWDZBQOSA-N 1 3 354.539 0.910 20 0 FCADHO N[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239348 850242982 /nfs/dbraw/zinc/24/29/82/850242982.db2.gz ZMVMDLHETWABDA-GJZGRUSLSA-N 1 3 350.850 0.666 20 0 FCADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2)nc1 ZINC001161298687 850250952 /nfs/dbraw/zinc/25/09/52/850250952.db2.gz PCOLNOPOSGCYAL-HIFRSBDPSA-N 1 3 351.451 0.524 20 0 FCADHO C[C@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)CCO1 ZINC001168124539 850573165 /nfs/dbraw/zinc/57/31/65/850573165.db2.gz XGZDWSCGJJITSX-DLBZAZTESA-N 1 3 352.523 0.724 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H](C)CN ZINC001169181413 850608680 /nfs/dbraw/zinc/60/86/80/850608680.db2.gz PDZJZQKJSJHUCW-QWHCGFSZSA-N 1 3 350.467 0.177 20 0 FCADHO C[C@@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@H]1CNCCO1 ZINC001170577127 850659493 /nfs/dbraw/zinc/65/94/93/850659493.db2.gz YENMWRATLAKFOE-CXAGYDPISA-N 1 3 368.503 0.506 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001182692862 851192679 /nfs/dbraw/zinc/19/26/79/851192679.db2.gz PCMFTWRRXXKRDF-FRRDWIJNSA-N 1 3 364.412 0.586 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001182692862 851192689 /nfs/dbraw/zinc/19/26/89/851192689.db2.gz PCMFTWRRXXKRDF-FRRDWIJNSA-N 1 3 364.412 0.586 20 0 FCADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)CCC(=O)OC ZINC001188372558 851679770 /nfs/dbraw/zinc/67/97/70/851679770.db2.gz JOJBKTZAWTZZQQ-UHFFFAOYSA-N 1 3 365.540 0.865 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188897201 851732122 /nfs/dbraw/zinc/73/21/22/851732122.db2.gz TUSDJJRXGPJGFE-RCCFBDPRSA-N 1 3 353.507 0.650 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188897201 851732126 /nfs/dbraw/zinc/73/21/26/851732126.db2.gz TUSDJJRXGPJGFE-RCCFBDPRSA-N 1 3 353.507 0.650 20 0 FCADHO CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237412 851881227 /nfs/dbraw/zinc/88/12/27/851881227.db2.gz BLWMCJWKSCUFSK-HYVNUMGLSA-N 1 3 354.495 0.012 20 0 FCADHO CC(=O)NCCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237412 851881229 /nfs/dbraw/zinc/88/12/29/851881229.db2.gz BLWMCJWKSCUFSK-HYVNUMGLSA-N 1 3 354.495 0.012 20 0 FCADHO CCN1CCN(Cc2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc2)CC1 ZINC001190831287 851969716 /nfs/dbraw/zinc/96/97/16/851969716.db2.gz IQBJWUXGIXKCDH-UHFFFAOYSA-N 1 3 368.503 0.185 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001194832941 852658823 /nfs/dbraw/zinc/65/88/23/852658823.db2.gz WTARIEISJXOMLI-DSZOFWSKSA-N 1 3 355.454 0.151 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001194832941 852658825 /nfs/dbraw/zinc/65/88/25/852658825.db2.gz WTARIEISJXOMLI-DSZOFWSKSA-N 1 3 355.454 0.151 20 0 FCADHO C[C@@H](COCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O)[NH+]1CCCC1 ZINC001196306733 852934735 /nfs/dbraw/zinc/93/47/35/852934735.db2.gz HLKJYUVVHFYHTQ-GVDBMIGSSA-N 1 3 359.486 0.788 20 0 FCADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O)C(C)C ZINC001197018492 853049761 /nfs/dbraw/zinc/04/97/61/853049761.db2.gz VSBSUPPCXUMIHJ-KURKYZTESA-N 1 3 355.523 0.941 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653651 853296969 /nfs/dbraw/zinc/29/69/69/853296969.db2.gz LOFZAPKBJIYKKD-RCCFBDPRSA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653651 853296977 /nfs/dbraw/zinc/29/69/77/853296977.db2.gz LOFZAPKBJIYKKD-RCCFBDPRSA-N 1 3 353.507 0.696 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001199029993 853357902 /nfs/dbraw/zinc/35/79/02/853357902.db2.gz OURJBWNYFMWVQH-QZTJIDSGSA-N 1 3 353.507 0.840 20 0 FCADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200556486 853502089 /nfs/dbraw/zinc/50/20/89/853502089.db2.gz ZZJMQUVAJKTIEZ-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556486 853502096 /nfs/dbraw/zinc/50/20/96/853502096.db2.gz ZZJMQUVAJKTIEZ-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO COC(CN1CCC([NH+]2CCC(N3CCN(C)CC3)CC2)CC1)OC ZINC001207256531 853795191 /nfs/dbraw/zinc/79/51/91/853795191.db2.gz XMMKXVNEBMJBDT-UHFFFAOYSA-N 1 3 354.539 0.782 20 0 FCADHO COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070409 853891922 /nfs/dbraw/zinc/89/19/22/853891922.db2.gz LICMBUFKBXZUPA-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO COCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070409 853891924 /nfs/dbraw/zinc/89/19/24/853891924.db2.gz LICMBUFKBXZUPA-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CN1CCCC1 ZINC001211032170 854148016 /nfs/dbraw/zinc/14/80/16/854148016.db2.gz ULDWKHOHCJFQSP-HUUCEWRRSA-N 1 3 353.511 0.616 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CN1CCCC1 ZINC001211032170 854148018 /nfs/dbraw/zinc/14/80/18/854148018.db2.gz ULDWKHOHCJFQSP-HUUCEWRRSA-N 1 3 353.511 0.616 20 0 FCADHO CO[C@@H]1CN(CCCCCn2cncn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378472 854594953 /nfs/dbraw/zinc/59/49/53/854594953.db2.gz SCGWNZYJXPYJHN-HZPDHXFCSA-N 1 3 352.483 0.216 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001214665807 854989182 /nfs/dbraw/zinc/98/91/82/854989182.db2.gz KCSMFWXROYYCBU-XLNGHYISSA-N 1 3 350.507 0.679 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001214665807 854989188 /nfs/dbraw/zinc/98/91/88/854989188.db2.gz KCSMFWXROYYCBU-XLNGHYISSA-N 1 3 350.507 0.679 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC001214757119 855002486 /nfs/dbraw/zinc/00/24/86/855002486.db2.gz BQDDVNSPNQTDLQ-BZUAXINKSA-N 1 3 358.502 0.971 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001214855802 855023586 /nfs/dbraw/zinc/02/35/86/855023586.db2.gz OCMYKIUCECWXMC-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001214855802 855023591 /nfs/dbraw/zinc/02/35/91/855023591.db2.gz OCMYKIUCECWXMC-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214890342 855028792 /nfs/dbraw/zinc/02/87/92/855028792.db2.gz WKNCGKXQAWCAPV-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214890342 855028803 /nfs/dbraw/zinc/02/88/03/855028803.db2.gz WKNCGKXQAWCAPV-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CCC2)C1)[NH+](C)C ZINC001214904750 855030607 /nfs/dbraw/zinc/03/06/07/855030607.db2.gz IDGBDRHBECNJBG-KYJSFNMBSA-N 1 3 352.523 0.925 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001214997562 855049327 /nfs/dbraw/zinc/04/93/27/855049327.db2.gz JOUFEQANBKDOSI-RBSFLKMASA-N 1 3 359.536 0.588 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224349 855084709 /nfs/dbraw/zinc/08/47/09/855084709.db2.gz OLWXTQWSQMGZRD-KYJSFNMBSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215539982 855126404 /nfs/dbraw/zinc/12/64/04/855126404.db2.gz FWRHEGGMUUHRKA-ARFHVFGLSA-N 1 3 371.547 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539886 855126669 /nfs/dbraw/zinc/12/66/69/855126669.db2.gz BNHFIZCUMJGLKO-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCCOC)C1 ZINC001216213787 855179689 /nfs/dbraw/zinc/17/96/89/855179689.db2.gz RDAGNQIRRLEGOM-BZUAXINKSA-N 1 3 356.511 0.306 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCCOC)C1 ZINC001216213787 855179697 /nfs/dbraw/zinc/17/96/97/855179697.db2.gz RDAGNQIRRLEGOM-BZUAXINKSA-N 1 3 356.511 0.306 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)c(OC)co2)C1 ZINC001216229322 855182121 /nfs/dbraw/zinc/18/21/21/855182121.db2.gz DVMHRPNTZTYVMZ-UKRRQHHQSA-N 1 3 351.447 0.927 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)c(OC)co2)C1 ZINC001216229322 855182123 /nfs/dbraw/zinc/18/21/23/855182123.db2.gz DVMHRPNTZTYVMZ-UKRRQHHQSA-N 1 3 351.447 0.927 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216511537 855209382 /nfs/dbraw/zinc/20/93/82/855209382.db2.gz SNRTWRHYJJWMAA-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216511771 855209434 /nfs/dbraw/zinc/20/94/34/855209434.db2.gz ZNEDKJOMULAWIQ-GDBMZVCRSA-N 1 3 359.536 0.590 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216835998 855253552 /nfs/dbraw/zinc/25/35/52/855253552.db2.gz RKMHJUKKQBCEMU-HLLBOEOZSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216852199 855260381 /nfs/dbraw/zinc/26/03/81/855260381.db2.gz RSFZJPYEEYZGRH-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218102979 855398009 /nfs/dbraw/zinc/39/80/09/855398009.db2.gz OLJYNGRQFRABHG-OLZOCXBDSA-N 1 3 351.472 0.577 20 0 FCADHO CC(C)(C)[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218776450 855478261 /nfs/dbraw/zinc/47/82/61/855478261.db2.gz KZJJNYFLYJKGJE-FOGDFJRCSA-N 1 3 370.885 0.003 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)[C@@H](N)CSCC[NH3+])cc2F)CC1 ZINC001218890004 855491824 /nfs/dbraw/zinc/49/18/24/855491824.db2.gz ZCCPAJIIFCCYMI-HNNXBMFYSA-N 1 3 369.510 0.925 20 0 FCADHO COC(=O)Cc1c(F)ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1F ZINC001218929327 855498354 /nfs/dbraw/zinc/49/83/54/855498354.db2.gz PEKYHJDLRRNHOB-BMLIUANNSA-N 1 3 353.369 0.818 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580706 855721469 /nfs/dbraw/zinc/72/14/69/855721469.db2.gz QRUAXOMXGVUCBH-MJBXVCDLSA-N 1 3 374.279 0.416 20 0 FCADHO CC(C)CCCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652213 855755975 /nfs/dbraw/zinc/75/59/75/855755975.db2.gz IQPSXBAYFZYIPF-SJORKVTESA-N 1 3 351.495 0.656 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744060 855794932 /nfs/dbraw/zinc/79/49/32/855794932.db2.gz RIGLNPSHQKMAGU-ZNMIVQPWSA-N 1 3 354.495 0.282 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001219829855 855835013 /nfs/dbraw/zinc/83/50/13/855835013.db2.gz GPNWNPXVNBEKEZ-KSZLIROESA-N 1 3 353.507 0.839 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001219829855 855835015 /nfs/dbraw/zinc/83/50/15/855835015.db2.gz GPNWNPXVNBEKEZ-KSZLIROESA-N 1 3 353.507 0.839 20 0 FCADHO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)CNCC2 ZINC001219843925 855843097 /nfs/dbraw/zinc/84/30/97/855843097.db2.gz FSCDXABSJBPGMI-YVEFUNNKSA-N 1 3 351.472 0.519 20 0 FCADHO CCOC(=O)CC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C(=O)OCC ZINC001220231103 856023273 /nfs/dbraw/zinc/02/32/73/856023273.db2.gz VBWOCFDQFOFWLH-KBPBESRZSA-N 1 3 359.467 0.437 20 0 FCADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O)C(C)C ZINC001220575520 856191257 /nfs/dbraw/zinc/19/12/57/856191257.db2.gz VSBSUPPCXUMIHJ-FGTMMUONSA-N 1 3 355.523 0.941 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889338 856360325 /nfs/dbraw/zinc/36/03/25/856360325.db2.gz IYMZOLXMXDYYSC-AGIUHOORSA-N 1 3 362.565 0.173 20 0 FCADHO O=C(CNC(=O)[C@@H]1C[C@@H](F)CCN1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898741 856363355 /nfs/dbraw/zinc/36/33/55/856363355.db2.gz UVTNAYJBZAIQQY-HOCLYGCPSA-N 1 3 354.470 0.670 20 0 FCADHO O=C(CNC(=O)[C@H]1CC[NH2+]C[C@@H]1F)N1CCN(C2CCCCC2)CC1 ZINC001220900992 856364495 /nfs/dbraw/zinc/36/44/95/856364495.db2.gz ROYBLINWXKRBNI-HOTGVXAUSA-N 1 3 354.470 0.527 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NC1CCN(C(=O)NC2CCCC2)CC1 ZINC001220909609 856370067 /nfs/dbraw/zinc/37/00/67/856370067.db2.gz XCAKVOOPMULUTN-AWEZNQCLSA-N 1 3 357.524 0.238 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976708 856403923 /nfs/dbraw/zinc/40/39/23/856403923.db2.gz LCJNLPOEBOHMCI-IVCQMTBJSA-N 1 3 369.506 0.950 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081409 856452647 /nfs/dbraw/zinc/45/26/47/856452647.db2.gz JXXOPCZXPGBRTD-SQNIBIBYSA-N 1 3 353.507 0.839 20 0 FCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CSCc1ccc(C)cc1 ZINC001221187598 856507337 /nfs/dbraw/zinc/50/73/37/856507337.db2.gz BFAVDSXSVLORKV-GJZGRUSLSA-N 1 3 353.488 0.952 20 0 FCADHO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001221364841 856554907 /nfs/dbraw/zinc/55/49/07/856554907.db2.gz PCIIJMUKGCQHRL-UHQDVWGKSA-N 1 3 352.479 0.748 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21 ZINC001221774092 856679017 /nfs/dbraw/zinc/67/90/17/856679017.db2.gz SCRABQLBSADEDJ-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](O)CCCN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895120 856725769 /nfs/dbraw/zinc/72/57/69/856725769.db2.gz WMOXSTWEGSVUNP-JFIYKMOQSA-N 1 3 353.507 0.791 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21 ZINC001221918825 856732552 /nfs/dbraw/zinc/73/25/52/856732552.db2.gz WJCDCTOLEAYPLA-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21 ZINC001221918825 856732556 /nfs/dbraw/zinc/73/25/56/856732556.db2.gz WJCDCTOLEAYPLA-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1CC1)C1CC1 ZINC001226800443 857126744 /nfs/dbraw/zinc/12/67/44/857126744.db2.gz KYERFHLADQWURD-JFIYKMOQSA-N 1 3 350.507 0.964 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O)C1CC1 ZINC001226800853 857126993 /nfs/dbraw/zinc/12/69/93/857126993.db2.gz OXWAYKAESAHNEM-JFIYKMOQSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001227150635 857146408 /nfs/dbraw/zinc/14/64/08/857146408.db2.gz WWBQFJAFOAGRHI-YNEHKIRRSA-N 1 3 355.483 0.317 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001228603118 857218234 /nfs/dbraw/zinc/21/82/34/857218234.db2.gz NQACFKFEQZUUJW-DJIMGWMZSA-N 1 3 350.507 0.871 20 0 FCADHO Cc1nnsc1CN[C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229715894 857283640 /nfs/dbraw/zinc/28/36/40/857283640.db2.gz BNPAQEFDOPWWQF-ZIAGYGMSSA-N 1 3 355.508 0.942 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@H]2CCCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001279474378 862903382 /nfs/dbraw/zinc/90/33/82/862903382.db2.gz NCIPTWVWSBYYJI-MJGOQNOKSA-N 1 3 352.523 0.774 20 0 FCADHO COC(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239711 857465026 /nfs/dbraw/zinc/46/50/26/857465026.db2.gz FWDGITRBKIYWBZ-CYBMUJFWSA-N 1 3 367.471 0.626 20 0 FCADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)CCN)CC[C@@H]21 ZINC001239078559 857508507 /nfs/dbraw/zinc/50/85/07/857508507.db2.gz YUONGRNLNPKCMR-PMPSAXMXSA-N 1 3 355.508 0.345 20 0 FCADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)CCN)CC[C@@H]21 ZINC001239078559 857508513 /nfs/dbraw/zinc/50/85/13/857508513.db2.gz YUONGRNLNPKCMR-PMPSAXMXSA-N 1 3 355.508 0.345 20 0 FCADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)CCN)C[C@H]21 ZINC001239083747 857511758 /nfs/dbraw/zinc/51/17/58/857511758.db2.gz HDAXTUWMBGPKHQ-USXIJHARSA-N 1 3 352.504 0.902 20 0 FCADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)CCN)C[C@H]21 ZINC001239083747 857511761 /nfs/dbraw/zinc/51/17/61/857511761.db2.gz HDAXTUWMBGPKHQ-USXIJHARSA-N 1 3 352.504 0.902 20 0 FCADHO COCCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001245977287 857561557 /nfs/dbraw/zinc/56/15/57/857561557.db2.gz VWKPDPSACHXLJQ-BPQIPLTHSA-N 1 3 356.438 0.267 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@](C)(O)C(=O)OCc1ccccc1 ZINC001246018634 857563959 /nfs/dbraw/zinc/56/39/59/857563959.db2.gz HCLKWLNVAKYHJP-YJBOKZPZSA-N 1 3 351.447 0.314 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709494 857592377 /nfs/dbraw/zinc/59/23/77/857592377.db2.gz OTROUFKSZUSRJV-DEORAPPZSA-N 1 3 351.491 0.902 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709494 857592385 /nfs/dbraw/zinc/59/23/85/857592385.db2.gz OTROUFKSZUSRJV-DEORAPPZSA-N 1 3 351.491 0.902 20 0 FCADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736797 857595767 /nfs/dbraw/zinc/59/57/67/857595767.db2.gz BLIFIHISFLFFCO-TZNCUMHOSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736797 857595775 /nfs/dbraw/zinc/59/57/75/857595775.db2.gz BLIFIHISFLFFCO-TZNCUMHOSA-N 1 3 351.491 0.570 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740859 857596202 /nfs/dbraw/zinc/59/62/02/857596202.db2.gz HXRJRSUQPCJFIY-ZQDZILKHSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740859 857596213 /nfs/dbraw/zinc/59/62/13/857596213.db2.gz HXRJRSUQPCJFIY-ZQDZILKHSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CN1 ZINC001246740859 857596223 /nfs/dbraw/zinc/59/62/23/857596223.db2.gz HXRJRSUQPCJFIY-ZQDZILKHSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CN1 ZINC001246740859 857596230 /nfs/dbraw/zinc/59/62/30/857596230.db2.gz HXRJRSUQPCJFIY-ZQDZILKHSA-N 1 3 350.488 0.943 20 0 FCADHO CC(C)C(=O)N1CCC[C@]2(C1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750343 857597448 /nfs/dbraw/zinc/59/74/48/857597448.db2.gz ULVOKBKNYGEWQD-QFBILLFUSA-N 1 3 350.507 0.430 20 0 FCADHO COC(=O)[C@@H](C)CN1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279518437 862933759 /nfs/dbraw/zinc/93/37/59/862933759.db2.gz VKVYEKWAZGPTBV-YJBOKZPZSA-N 1 3 354.495 0.014 20 0 FCADHO COC(=O)[C@H](O)CNC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001252436128 857807249 /nfs/dbraw/zinc/80/72/49/857807249.db2.gz NTDNAFFNVDLZDU-HZSPNIEDSA-N 1 3 357.451 0.051 20 0 FCADHO COC(=O)[C@H](O)CNC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001252436128 857807261 /nfs/dbraw/zinc/80/72/61/857807261.db2.gz NTDNAFFNVDLZDU-HZSPNIEDSA-N 1 3 357.451 0.051 20 0 FCADHO CCN(CC)C[C@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253202095 857871668 /nfs/dbraw/zinc/87/16/68/857871668.db2.gz DHHZHXPQNOCQFL-MRXNPFEDSA-N 1 3 358.527 0.831 20 0 FCADHO CNC(=O)CO[C@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622420 858093780 /nfs/dbraw/zinc/09/37/80/858093780.db2.gz ANQGQABRKOTHKE-XUQJXCEBSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622420 858093783 /nfs/dbraw/zinc/09/37/83/858093783.db2.gz ANQGQABRKOTHKE-XUQJXCEBSA-N 1 3 351.491 0.998 20 0 FCADHO Cc1nn(CCO)c(C)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001261144483 858469348 /nfs/dbraw/zinc/46/93/48/858469348.db2.gz JDKSOJYXQIGUSJ-UHFFFAOYSA-N 1 3 351.495 0.382 20 0 FCADHO COCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001279727009 863028193 /nfs/dbraw/zinc/02/81/93/863028193.db2.gz PLFHBTSAHPNMOX-MLHJIOFPSA-N 1 3 353.507 0.837 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCC(C)CC1 ZINC001261522661 858579038 /nfs/dbraw/zinc/57/90/38/858579038.db2.gz AIXPVHBKFDSALE-BXWFABGCSA-N 1 3 350.507 0.810 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001262614825 859019275 /nfs/dbraw/zinc/01/92/75/859019275.db2.gz RGDOZOWPDQRLEG-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001262614825 859019288 /nfs/dbraw/zinc/01/92/88/859019288.db2.gz RGDOZOWPDQRLEG-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO CN1CCCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001271138350 859903698 /nfs/dbraw/zinc/90/36/98/859903698.db2.gz DDNRIKMIDMPPOT-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001271657845 859987532 /nfs/dbraw/zinc/98/75/32/859987532.db2.gz DXRVQXGHVFGPNR-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657845 859987535 /nfs/dbraw/zinc/98/75/35/859987535.db2.gz DXRVQXGHVFGPNR-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822540 860272172 /nfs/dbraw/zinc/27/21/72/860272172.db2.gz YPJKKEYUKMJHSV-LPHOPBHVSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822540 860272181 /nfs/dbraw/zinc/27/21/81/860272181.db2.gz YPJKKEYUKMJHSV-LPHOPBHVSA-N 1 3 350.507 0.872 20 0 FCADHO CN1CCN(CC(=O)N2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001272868385 860286464 /nfs/dbraw/zinc/28/64/64/860286464.db2.gz RJHXKYODHCTRGL-LJQANCHMSA-N 1 3 351.539 0.110 20 0 FCADHO CN(C)CCN1C[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)OCC1=O ZINC001273547328 860527883 /nfs/dbraw/zinc/52/78/83/860527883.db2.gz GNEIZOYYZYLSET-SFHVURJKSA-N 1 3 354.495 0.110 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC001274908394 860869469 /nfs/dbraw/zinc/86/94/69/860869469.db2.gz LLFMRPYFIKSKRE-GJZGRUSLSA-N 1 3 364.515 0.941 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001274908394 860869472 /nfs/dbraw/zinc/86/94/72/860869472.db2.gz LLFMRPYFIKSKRE-GJZGRUSLSA-N 1 3 364.515 0.941 20 0 FCADHO Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)CCN1C ZINC001275171107 860977830 /nfs/dbraw/zinc/97/78/30/860977830.db2.gz DGQJQKNTCNWZSS-JYJNAYRXSA-N 1 3 363.531 0.873 20 0 FCADHO Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)CCN1C ZINC001275171107 860977840 /nfs/dbraw/zinc/97/78/40/860977840.db2.gz DGQJQKNTCNWZSS-JYJNAYRXSA-N 1 3 363.531 0.873 20 0 FCADHO CN(C)C(=O)CN1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914414 863134065 /nfs/dbraw/zinc/13/40/65/863134065.db2.gz QRLQLTRZKIEMIG-QFBILLFUSA-N 1 3 350.507 0.777 20 0 FCADHO COC(C)(C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2 ZINC001280056059 863228306 /nfs/dbraw/zinc/22/83/06/863228306.db2.gz GGQXSOVNELJQPH-BBWFWOEESA-N 1 3 351.491 0.807 20 0 FCADHO COC(C)(C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2 ZINC001280056059 863228312 /nfs/dbraw/zinc/22/83/12/863228312.db2.gz GGQXSOVNELJQPH-BBWFWOEESA-N 1 3 351.491 0.807 20 0 FCADHO CC[C@H](C)N1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001350908092 866727340 /nfs/dbraw/zinc/72/73/40/866727340.db2.gz JKQCZFPMXWURON-HNNXBMFYSA-N 1 3 350.511 0.907 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCCN1CCN(C)CC1 ZINC001354317326 867580955 /nfs/dbraw/zinc/58/09/55/867580955.db2.gz WWAXSOLWFBDVTC-MRXNPFEDSA-N 1 3 350.515 0.231 20 0 FCADHO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CCCN1CCN(C)CC1 ZINC001354317326 867580970 /nfs/dbraw/zinc/58/09/70/867580970.db2.gz WWAXSOLWFBDVTC-MRXNPFEDSA-N 1 3 350.515 0.231 20 0 FCADHO CNc1nnc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC001320279916 868129917 /nfs/dbraw/zinc/12/99/17/868129917.db2.gz WBARVJPWVNIACV-UHFFFAOYSA-N 1 3 352.508 0.797 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC001321610310 868538577 /nfs/dbraw/zinc/53/85/77/868538577.db2.gz ADTNHYDCQAGFKQ-GOSISDBHSA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001325275416 869837520 /nfs/dbraw/zinc/83/75/20/869837520.db2.gz PWUNPMVGGDPGHQ-HNNXBMFYSA-N 1 3 350.463 0.580 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325398555 869876264 /nfs/dbraw/zinc/87/62/64/869876264.db2.gz BATVBLPYZDKXON-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C)CC1 ZINC001343243708 870317663 /nfs/dbraw/zinc/31/76/63/870317663.db2.gz SNCPBUYNJORUKD-MRXNPFEDSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001327816472 871095449 /nfs/dbraw/zinc/09/54/49/871095449.db2.gz TVJMVFMOCFBXAW-HNNXBMFYSA-N 1 3 360.524 0.118 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001328324093 871362502 /nfs/dbraw/zinc/36/25/02/871362502.db2.gz MMZMCSWJTGMXJL-JYJNAYRXSA-N 1 3 358.527 0.094 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328846843 871663057 /nfs/dbraw/zinc/66/30/57/871663057.db2.gz VSSWOARTYBUQSC-OKZBNKHCSA-N 1 3 352.523 0.759 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](CO)[C@H](O)C3)CC2)CC1 ZINC001329065599 871806246 /nfs/dbraw/zinc/80/62/46/871806246.db2.gz FKGRIHMIRYEKMK-FUHWJXTLSA-N 1 3 353.507 0.384 20 0 FCADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908117 950352364 /nfs/dbraw/zinc/35/23/64/950352364.db2.gz AKSGOHCKYDNFLR-BBRMVZONSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908117 950352384 /nfs/dbraw/zinc/35/23/84/950352384.db2.gz AKSGOHCKYDNFLR-BBRMVZONSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575093013 951796534 /nfs/dbraw/zinc/79/65/34/951796534.db2.gz GURZKTMQIZMBTR-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575093013 951796538 /nfs/dbraw/zinc/79/65/38/951796538.db2.gz GURZKTMQIZMBTR-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571064349 951972604 /nfs/dbraw/zinc/97/26/04/951972604.db2.gz TVGNXHLGNMOTEF-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571064349 951972608 /nfs/dbraw/zinc/97/26/08/951972608.db2.gz TVGNXHLGNMOTEF-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571064349 951972613 /nfs/dbraw/zinc/97/26/13/951972613.db2.gz TVGNXHLGNMOTEF-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571064349 951972618 /nfs/dbraw/zinc/97/26/18/951972618.db2.gz TVGNXHLGNMOTEF-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410431416 529861399 /nfs/dbraw/zinc/86/13/99/529861399.db2.gz HEMZLIWMDDSYSH-QGZVFWFLSA-N 1 3 350.507 0.731 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410431416 529861400 /nfs/dbraw/zinc/86/14/00/529861400.db2.gz HEMZLIWMDDSYSH-QGZVFWFLSA-N 1 3 350.507 0.731 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719230 530064769 /nfs/dbraw/zinc/06/47/69/530064769.db2.gz NPMHWBUTSIHGQI-XLIONFOSSA-N 1 3 362.518 0.875 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752922 674055735 /nfs/dbraw/zinc/05/57/35/674055735.db2.gz XPRFHLTWCRMHOG-OALUTQOASA-N 1 3 355.523 0.381 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752922 674055736 /nfs/dbraw/zinc/05/57/36/674055736.db2.gz XPRFHLTWCRMHOG-OALUTQOASA-N 1 3 355.523 0.381 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000331385398 214988329 /nfs/dbraw/zinc/98/83/29/214988329.db2.gz KPDDSVVDSZAEND-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331502410 215006386 /nfs/dbraw/zinc/00/63/86/215006386.db2.gz QZZVBPDJKZDSDB-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331590624 215019792 /nfs/dbraw/zinc/01/97/92/215019792.db2.gz YGWYELDJCOSBNB-YYIAUSFCSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331590624 215019795 /nfs/dbraw/zinc/01/97/95/215019795.db2.gz YGWYELDJCOSBNB-YYIAUSFCSA-N 1 3 350.507 0.776 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000331620141 215024066 /nfs/dbraw/zinc/02/40/66/215024066.db2.gz FFAFUEIXICXYAN-BRWVUGGUSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000331620141 215024068 /nfs/dbraw/zinc/02/40/68/215024068.db2.gz FFAFUEIXICXYAN-BRWVUGGUSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000331863416 215057672 /nfs/dbraw/zinc/05/76/72/215057672.db2.gz KSKJBVBXXDXDTI-IXDOHACOSA-N 1 3 366.506 0.033 20 0 FCADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000331951931 215072447 /nfs/dbraw/zinc/07/24/47/215072447.db2.gz OZLDMCAMHLNJMZ-LJQANCHMSA-N 1 3 365.522 0.713 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000332134073 215099355 /nfs/dbraw/zinc/09/93/55/215099355.db2.gz ITLQRZOZVXLFNJ-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000332134073 215099357 /nfs/dbraw/zinc/09/93/57/215099357.db2.gz ITLQRZOZVXLFNJ-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000332325351 215130676 /nfs/dbraw/zinc/13/06/76/215130676.db2.gz XEIRNPHXKAJBAF-KLZNWCGWSA-N 1 3 366.506 0.140 20 0 FCADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000332345564 215133724 /nfs/dbraw/zinc/13/37/24/215133724.db2.gz YCGXRHPOCYIJQK-LEUOFYLZSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000332345564 215133727 /nfs/dbraw/zinc/13/37/27/215133727.db2.gz YCGXRHPOCYIJQK-LEUOFYLZSA-N 1 3 358.486 0.881 20 0 FCADHO CS[C@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1N(C)C ZINC000333365830 215271339 /nfs/dbraw/zinc/27/13/39/215271339.db2.gz UIHCSXBWUILSGO-KGLIPLIRSA-N 1 3 365.507 0.396 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333546676 215296349 /nfs/dbraw/zinc/29/63/49/215296349.db2.gz OQUGYWWLFCSSOW-ZACQAIPSSA-N 1 3 353.511 0.175 20 0 FCADHO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000333694447 215308600 /nfs/dbraw/zinc/30/86/00/215308600.db2.gz QAYPXUBIOJAYDW-ROUUACIJSA-N 1 3 372.517 0.987 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000333761607 215316188 /nfs/dbraw/zinc/31/61/88/215316188.db2.gz ANRVKPSZBQRWRH-HOTGVXAUSA-N 1 3 351.495 0.452 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334105023 215343969 /nfs/dbraw/zinc/34/39/69/215343969.db2.gz XVVVHMRFDKUQRQ-ALOPSCKCSA-N 1 3 365.522 0.807 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334105023 215343972 /nfs/dbraw/zinc/34/39/72/215343972.db2.gz XVVVHMRFDKUQRQ-ALOPSCKCSA-N 1 3 365.522 0.807 20 0 FCADHO CN1CCC(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)(N2CCOCC2)CC1 ZINC000334137058 215347965 /nfs/dbraw/zinc/34/79/65/215347965.db2.gz ZFFXHKQQYKZLGA-KRWDZBQOSA-N 1 3 367.538 0.519 20 0 FCADHO CN1CCC(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)(N2CCOCC2)CC1 ZINC000334111688 215346323 /nfs/dbraw/zinc/34/63/23/215346323.db2.gz CJZAJOXOUDNSLQ-MRXNPFEDSA-N 1 3 353.511 0.129 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000285204387 213302173 /nfs/dbraw/zinc/30/21/73/213302173.db2.gz WSEJXIMYKMHBBF-GOSISDBHSA-N 1 3 358.486 0.978 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000285204387 213302175 /nfs/dbraw/zinc/30/21/75/213302175.db2.gz WSEJXIMYKMHBBF-GOSISDBHSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000284869974 213239759 /nfs/dbraw/zinc/23/97/59/213239759.db2.gz AWSVNSLBOYCYTN-HNNXBMFYSA-N 1 3 362.474 0.770 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000284869974 213239763 /nfs/dbraw/zinc/23/97/63/213239763.db2.gz AWSVNSLBOYCYTN-HNNXBMFYSA-N 1 3 362.474 0.770 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871672 216045327 /nfs/dbraw/zinc/04/53/27/216045327.db2.gz VBSSEVKQSXJLFO-OAHLLOKOSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030319 216065756 /nfs/dbraw/zinc/06/57/56/216065756.db2.gz PYLPXXVQDJZHCM-JKSUJKDBSA-N 1 3 365.522 0.665 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCC[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327084 /nfs/dbraw/zinc/32/70/84/216327084.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCC[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327087 /nfs/dbraw/zinc/32/70/87/216327087.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327090 /nfs/dbraw/zinc/32/70/90/216327090.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975684 216327092 /nfs/dbraw/zinc/32/70/92/216327092.db2.gz SATIWXSYMVXFFX-SUMCQTLJSA-N 1 3 362.518 0.938 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C)CC1 ZINC000369048124 216339709 /nfs/dbraw/zinc/33/97/09/216339709.db2.gz SJSDQJMKIVYZHP-KSZLIROESA-N 1 3 367.538 0.421 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C)CC1 ZINC000369048124 216339710 /nfs/dbraw/zinc/33/97/10/216339710.db2.gz SJSDQJMKIVYZHP-KSZLIROESA-N 1 3 367.538 0.421 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188748903 209239378 /nfs/dbraw/zinc/23/93/78/209239378.db2.gz JWQPIZADFOBVEI-GASCZTMLSA-N 1 3 360.506 0.686 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188748903 209239380 /nfs/dbraw/zinc/23/93/80/209239380.db2.gz JWQPIZADFOBVEI-GASCZTMLSA-N 1 3 360.506 0.686 20 0 FCADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000276638103 212269454 /nfs/dbraw/zinc/26/94/54/212269454.db2.gz LWQSYWYAUZSLLF-RCCFBDPRSA-N 1 3 373.501 0.165 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187979759 209221252 /nfs/dbraw/zinc/22/12/52/209221252.db2.gz FGEPHMRTWUTIIV-RBUKOAKNSA-N 1 3 360.502 0.817 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000185600169 209180429 /nfs/dbraw/zinc/18/04/29/209180429.db2.gz IXZCZORZYSOEBQ-UHFFFAOYSA-N 1 3 350.463 0.426 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414713098 245315916 /nfs/dbraw/zinc/31/59/16/245315916.db2.gz VQXIJZLQHDPXQU-AWEZNQCLSA-N 1 3 360.458 0.955 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414713098 245315923 /nfs/dbraw/zinc/31/59/23/245315923.db2.gz VQXIJZLQHDPXQU-AWEZNQCLSA-N 1 3 360.458 0.955 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000414852386 245326534 /nfs/dbraw/zinc/32/65/34/245326534.db2.gz JYBVJSBAKVSMQY-SFHVURJKSA-N 1 3 374.485 0.480 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000415291019 245380788 /nfs/dbraw/zinc/38/07/88/245380788.db2.gz FTXOSULVUMFSMJ-OAHLLOKOSA-N 1 3 359.474 0.635 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[NH2+]C)c(C)c2)CC1 ZINC000415303173 245381811 /nfs/dbraw/zinc/38/18/11/245381811.db2.gz DPIPMBUVNOPMKY-UHFFFAOYSA-N 1 3 361.490 0.801 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000415322788 245385360 /nfs/dbraw/zinc/38/53/60/245385360.db2.gz BZEFAICGNKGURT-HNNXBMFYSA-N 1 3 362.474 0.990 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179939 217106062 /nfs/dbraw/zinc/10/60/62/217106062.db2.gz XEFODQXLUBKVGV-JKSUJKDBSA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363235 217121877 /nfs/dbraw/zinc/12/18/77/217121877.db2.gz PNEGHVVICAFFJK-SJORKVTESA-N 1 3 350.507 0.587 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419103973 245983360 /nfs/dbraw/zinc/98/33/60/245983360.db2.gz GUVCAWCVPGHYCX-KBAYOESNSA-N 1 3 358.486 0.691 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419151131 246020555 /nfs/dbraw/zinc/02/05/55/246020555.db2.gz NDHGZJIOIHGATA-BBRMVZONSA-N 1 3 364.515 0.930 20 0 FCADHO O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419134920 246008833 /nfs/dbraw/zinc/00/88/33/246008833.db2.gz LGDIOCZNKMHVFV-HNNXBMFYSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419135625 246009042 /nfs/dbraw/zinc/00/90/42/246009042.db2.gz NJPCSPKKNJCVDV-ZDUSSCGKSA-N 1 3 352.504 0.787 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419162678 246025930 /nfs/dbraw/zinc/02/59/30/246025930.db2.gz HRXUFQVIFBUYAL-WBVHZDCISA-N 1 3 362.474 0.105 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000419166062 246028851 /nfs/dbraw/zinc/02/88/51/246028851.db2.gz OAOCGENAOAVILB-KRWDZBQOSA-N 1 3 374.485 0.391 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172506 246032393 /nfs/dbraw/zinc/03/23/93/246032393.db2.gz ZCOIUJSVNAZQQG-NVXWUHKLSA-N 1 3 362.474 0.199 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@H]1CNCCO1)[N@H+](C)Cc1ccccc1 ZINC000419186907 246040703 /nfs/dbraw/zinc/04/07/03/246040703.db2.gz FIZCEWNCSNSRGG-NVXWUHKLSA-N 1 3 362.474 0.118 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@H]1CNCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186907 246040710 /nfs/dbraw/zinc/04/07/10/246040710.db2.gz FIZCEWNCSNSRGG-NVXWUHKLSA-N 1 3 362.474 0.118 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419215893 246059691 /nfs/dbraw/zinc/05/96/91/246059691.db2.gz OKCZZHRAOSJTGD-SJORKVTESA-N 1 3 374.485 0.311 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223469 246061706 /nfs/dbraw/zinc/06/17/06/246061706.db2.gz DAMBXHVHIMUISW-NJAFHUGGSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419223121 246062594 /nfs/dbraw/zinc/06/25/94/246062594.db2.gz CLCSPKCWMINDTM-HYVNUMGLSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329936 246099684 /nfs/dbraw/zinc/09/96/84/246099684.db2.gz HKHXSDZRZAOWRK-XGWTYTTDSA-N 1 3 374.460 0.678 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419361638 246118793 /nfs/dbraw/zinc/11/87/93/246118793.db2.gz BDUCTWRRIUQDOI-MAUKXSAKSA-N 1 3 372.513 0.645 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419374818 246122623 /nfs/dbraw/zinc/12/26/23/246122623.db2.gz PIZMXPYJUHTSIY-YJBOKZPZSA-N 1 3 372.513 0.930 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000419373949 246122702 /nfs/dbraw/zinc/12/27/02/246122702.db2.gz OYUUUZNQEAEKPW-BBWFWOEESA-N 1 3 350.507 0.537 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCC(C)CC1 ZINC000419375694 246124592 /nfs/dbraw/zinc/12/45/92/246124592.db2.gz RZAYTPNTFMRMBL-ZACQAIPSSA-N 1 3 350.507 0.679 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000419382280 246127991 /nfs/dbraw/zinc/12/79/91/246127991.db2.gz YPMLOVSUGSKHLW-MSOLQXFVSA-N 1 3 370.497 0.555 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419415598 246150596 /nfs/dbraw/zinc/15/05/96/246150596.db2.gz VJNPCUSUQCZTES-ZWKOTPCHSA-N 1 3 358.486 0.788 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419421535 246155344 /nfs/dbraw/zinc/15/53/44/246155344.db2.gz LMJWVCVGUHLFSY-JKSUJKDBSA-N 1 3 358.486 0.747 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419426257 246157653 /nfs/dbraw/zinc/15/76/53/246157653.db2.gz QOPNWFVQIWOJPJ-MRXNPFEDSA-N 1 3 358.486 0.667 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCCO1 ZINC000419428622 246158747 /nfs/dbraw/zinc/15/87/47/246158747.db2.gz TZWQWZONGTXQOO-GOSISDBHSA-N 1 3 374.485 0.127 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419433995 246162127 /nfs/dbraw/zinc/16/21/27/246162127.db2.gz ZYTKJFBVBIRPJS-IRXDYDNUSA-N 1 3 360.458 0.044 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475416 246175641 /nfs/dbraw/zinc/17/56/41/246175641.db2.gz DQQCXVQDZWPOED-OAGGEKHMSA-N 1 3 368.522 0.844 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475416 246175651 /nfs/dbraw/zinc/17/56/51/246175651.db2.gz DQQCXVQDZWPOED-OAGGEKHMSA-N 1 3 368.522 0.844 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419474882 246176860 /nfs/dbraw/zinc/17/68/60/246176860.db2.gz CTMQCAYDUZQQAC-OWCLPIDISA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419474882 246176863 /nfs/dbraw/zinc/17/68/63/246176863.db2.gz CTMQCAYDUZQQAC-OWCLPIDISA-N 1 3 368.522 0.986 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@@H](CN)C1 ZINC000419479845 246179075 /nfs/dbraw/zinc/17/90/75/246179075.db2.gz MAJLVARFLGGUAA-IAGOWNOFSA-N 1 3 368.522 0.579 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419649263 246227795 /nfs/dbraw/zinc/22/77/95/246227795.db2.gz MYYFRGVXOZOJKY-DOPJRALCSA-N 1 3 374.460 0.679 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419649263 246227805 /nfs/dbraw/zinc/22/78/05/246227805.db2.gz MYYFRGVXOZOJKY-DOPJRALCSA-N 1 3 374.460 0.679 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649698 246231407 /nfs/dbraw/zinc/23/14/07/246231407.db2.gz UIGMHOWLXIJIAZ-WFASDCNBSA-N 1 3 352.479 0.206 20 0 FCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419687399 246249718 /nfs/dbraw/zinc/24/97/18/246249718.db2.gz PHVKNGDAFIBOBL-HNNXBMFYSA-N 1 3 352.479 0.087 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419717891 246267529 /nfs/dbraw/zinc/26/75/29/246267529.db2.gz CILJPRZJYJUROC-ZWKOTPCHSA-N 1 3 370.497 0.835 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000419765640 246290349 /nfs/dbraw/zinc/29/03/49/246290349.db2.gz QNLXRMLVYPGEQH-OLMNPRSZSA-N 1 3 358.486 0.819 20 0 FCADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419727491 246272473 /nfs/dbraw/zinc/27/24/73/246272473.db2.gz LNQQVUFHRATBHL-CRAIPNDOSA-N 1 3 374.485 0.514 20 0 FCADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419867795 246338424 /nfs/dbraw/zinc/33/84/24/246338424.db2.gz QOXNAQGBWMVFHW-GOSISDBHSA-N 1 3 358.486 0.632 20 0 FCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419872787 246341744 /nfs/dbraw/zinc/34/17/44/246341744.db2.gz FKGSOHFPCHWHDM-NXHRZFHOSA-N 1 3 358.486 0.976 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000419867796 246337672 /nfs/dbraw/zinc/33/76/72/246337672.db2.gz CXYDODCGKYAPFF-HUUCEWRRSA-N 1 3 350.463 0.864 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)o1 ZINC000419914013 246366534 /nfs/dbraw/zinc/36/65/34/246366534.db2.gz NNWVZBCYBWQARO-OAHLLOKOSA-N 1 3 350.463 0.594 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933266 246374450 /nfs/dbraw/zinc/37/44/50/246374450.db2.gz GGVCEEQTTMLTGW-OAHLLOKOSA-N 1 3 352.504 0.897 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419960419 246388307 /nfs/dbraw/zinc/38/83/07/246388307.db2.gz RRIURYLHKFKWSG-BFYDXBDKSA-N 1 3 350.507 0.951 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419960419 246388312 /nfs/dbraw/zinc/38/83/12/246388312.db2.gz RRIURYLHKFKWSG-BFYDXBDKSA-N 1 3 350.507 0.951 20 0 FCADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423557777 247051274 /nfs/dbraw/zinc/05/12/74/247051274.db2.gz COIJRHCSGZXWRJ-FXAWDEMLSA-N 1 3 374.485 0.032 20 0 FCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423417548 247024340 /nfs/dbraw/zinc/02/43/40/247024340.db2.gz SQNFTCYKZSXMSE-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423483700 247034836 /nfs/dbraw/zinc/03/48/36/247034836.db2.gz SWQYAMTVYCUOTB-CALCHBBNSA-N 1 3 374.485 0.263 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423788623 247141173 /nfs/dbraw/zinc/14/11/73/247141173.db2.gz YALSVJSUDFFOHM-KBAYOESNSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1CN ZINC000423716520 247122870 /nfs/dbraw/zinc/12/28/70/247122870.db2.gz AAUWWCHULNWFNF-OIISXLGYSA-N 1 3 350.507 0.763 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccco1 ZINC000423723301 247125899 /nfs/dbraw/zinc/12/58/99/247125899.db2.gz HCXUDBNAFWPOCR-HZPDHXFCSA-N 1 3 362.474 0.628 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@H]1CN ZINC000423728541 247128560 /nfs/dbraw/zinc/12/85/60/247128560.db2.gz JVDDJEKGUADFLJ-WBVHZDCISA-N 1 3 368.522 0.532 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423740673 247134109 /nfs/dbraw/zinc/13/41/09/247134109.db2.gz GVCQBJDCPIVCDI-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425387828 247330009 /nfs/dbraw/zinc/33/00/09/247330009.db2.gz NWYOZLSWPVBPPL-BHYGNILZSA-N 1 3 350.507 0.728 20 0 FCADHO CCn1ccnc1CN(C(=O)C(C)S(C)(=O)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435562187 248000314 /nfs/dbraw/zinc/00/03/14/248000314.db2.gz CJMMFDQHPOXHIK-KGLIPLIRSA-N 1 3 368.503 0.807 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452780726 249332986 /nfs/dbraw/zinc/33/29/86/249332986.db2.gz HRASZLZJEOYNPO-KRWDZBQOSA-N 1 3 353.507 0.985 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452780726 249332991 /nfs/dbraw/zinc/33/29/91/249332991.db2.gz HRASZLZJEOYNPO-KRWDZBQOSA-N 1 3 353.507 0.985 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)CNC3)cn1 ZINC000470369910 250038097 /nfs/dbraw/zinc/03/80/97/250038097.db2.gz ROXFUEDUSXSXSH-UHFFFAOYSA-N 1 3 356.430 0.416 20 0 FCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 ZINC000471076596 250090176 /nfs/dbraw/zinc/09/01/76/250090176.db2.gz WHWYWUIARFWOSM-INIZCTEOSA-N 1 3 350.463 0.506 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000472172578 250136633 /nfs/dbraw/zinc/13/66/33/250136633.db2.gz OJAOKJIIYDNBTP-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000472759458 250179426 /nfs/dbraw/zinc/17/94/26/250179426.db2.gz ZXVPRUUITOVXFQ-WBVHZDCISA-N 1 3 357.568 0.749 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500460295 250818954 /nfs/dbraw/zinc/81/89/54/250818954.db2.gz XQXHGVSRUIZQSJ-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000089393417 208122570 /nfs/dbraw/zinc/12/25/70/208122570.db2.gz NHMPGCTYIIRSTM-KRWDZBQOSA-N 1 3 373.501 0.824 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000119219949 208355509 /nfs/dbraw/zinc/35/55/09/208355509.db2.gz AMLCNHZNBVJYNY-KZNAEPCWSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000119219949 208355515 /nfs/dbraw/zinc/35/55/15/208355515.db2.gz AMLCNHZNBVJYNY-KZNAEPCWSA-N 1 3 351.539 0.996 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000119818011 208367340 /nfs/dbraw/zinc/36/73/40/208367340.db2.gz FWIZYXFUUIIVRU-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000119818011 208367345 /nfs/dbraw/zinc/36/73/45/208367345.db2.gz FWIZYXFUUIIVRU-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CS[C@@H](CO)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119871689 208371463 /nfs/dbraw/zinc/37/14/63/208371463.db2.gz XWZXDJHRLRMANV-BBRMVZONSA-N 1 3 358.552 0.957 20 0 FCADHO COCCCN(C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000176383230 209002846 /nfs/dbraw/zinc/00/28/46/209002846.db2.gz GCPAVNVVJAHMCC-UHFFFAOYSA-N 1 3 369.554 0.813 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156162319 229190496 /nfs/dbraw/zinc/19/04/96/229190496.db2.gz GQVMOIUYBRGIHY-MSOLQXFVSA-N 1 3 370.538 0.974 20 0 FCADHO CN(C)CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CCCC1 ZINC000162901941 229200629 /nfs/dbraw/zinc/20/06/29/229200629.db2.gz GKUHIMFYHKGUSW-UHFFFAOYSA-N 1 3 364.494 0.716 20 0 FCADHO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000187334702 229239963 /nfs/dbraw/zinc/23/99/63/229239963.db2.gz OJXLWTJWWZDVCG-MRXNPFEDSA-N 1 3 369.554 0.499 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410474957 230093923 /nfs/dbraw/zinc/09/39/23/230093923.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000410474957 230093927 /nfs/dbraw/zinc/09/39/27/230093927.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000410474957 230093930 /nfs/dbraw/zinc/09/39/30/230093930.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 1 3 367.538 0.023 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000410503490 230108735 /nfs/dbraw/zinc/10/87/35/230108735.db2.gz NHGYGYHYKROBIH-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000410736634 230228394 /nfs/dbraw/zinc/22/83/94/230228394.db2.gz OLXNRODWTXDGGF-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000410736634 230228399 /nfs/dbraw/zinc/22/83/99/230228399.db2.gz OLXNRODWTXDGGF-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN(C)C3CCC3)CC2)CC[N@@H+]1C ZINC000947132242 674292781 /nfs/dbraw/zinc/29/27/81/674292781.db2.gz WWUDKPYEDKGBTA-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN(C)C3CCC3)CC2)CC[N@H+]1C ZINC000947132242 674292782 /nfs/dbraw/zinc/29/27/82/674292782.db2.gz WWUDKPYEDKGBTA-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[N@H+](C)C1CC1 ZINC000288052233 488938183 /nfs/dbraw/zinc/93/81/83/488938183.db2.gz UNSXOYNSXUYENG-AWEZNQCLSA-N 1 3 350.463 0.769 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[N@@H+](C)C1CC1 ZINC000288052233 488938186 /nfs/dbraw/zinc/93/81/86/488938186.db2.gz UNSXOYNSXUYENG-AWEZNQCLSA-N 1 3 350.463 0.769 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[N@H+](C)C1CC1 ZINC000288052237 488938237 /nfs/dbraw/zinc/93/82/37/488938237.db2.gz UNSXOYNSXUYENG-CQSZACIVSA-N 1 3 350.463 0.769 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[N@@H+](C)C1CC1 ZINC000288052237 488938241 /nfs/dbraw/zinc/93/82/41/488938241.db2.gz UNSXOYNSXUYENG-CQSZACIVSA-N 1 3 350.463 0.769 20 0 FCADHO Cc1occc1C(=O)NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051463909 488134655 /nfs/dbraw/zinc/13/46/55/488134655.db2.gz ITZVSCIUSLFGJP-UHFFFAOYSA-N 1 3 362.474 0.993 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000569801552 491193150 /nfs/dbraw/zinc/19/31/50/491193150.db2.gz DBXFCWPIXKNSSP-KRWDZBQOSA-N 1 3 363.462 0.869 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000569810232 491194084 /nfs/dbraw/zinc/19/40/84/491194084.db2.gz HYQPURDMZSWTEW-KKUMJFAQSA-N 1 3 361.490 0.965 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327384 488384392 /nfs/dbraw/zinc/38/43/92/488384392.db2.gz GTJPGPYSTOCVAH-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058194 488387461 /nfs/dbraw/zinc/38/74/61/488387461.db2.gz UTCMSSVFDBMSOO-IAGOWNOFSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058198 488387506 /nfs/dbraw/zinc/38/75/06/488387506.db2.gz UTCMSSVFDBMSOO-DLBZAZTESA-N 1 3 350.507 0.731 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345300 488391103 /nfs/dbraw/zinc/39/11/03/488391103.db2.gz SINHICIFWODWLI-CVEARBPZSA-N 1 3 353.511 0.557 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345300 488391105 /nfs/dbraw/zinc/39/11/05/488391105.db2.gz SINHICIFWODWLI-CVEARBPZSA-N 1 3 353.511 0.557 20 0 FCADHO CC(C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000077760799 488417270 /nfs/dbraw/zinc/41/72/70/488417270.db2.gz NETRBPCZPLLOHD-MRXNPFEDSA-N 1 3 355.527 0.014 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000077776716 488417789 /nfs/dbraw/zinc/41/77/89/488417789.db2.gz AXQUJFIQIQFRRL-UHFFFAOYSA-N 1 3 350.511 0.897 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000077797216 488418201 /nfs/dbraw/zinc/41/82/01/488418201.db2.gz QYJVWSKZBKBZSK-MRXNPFEDSA-N 1 3 361.490 0.927 20 0 FCADHO CN1CCC(CNC(=O)CNC[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000237158974 488454420 /nfs/dbraw/zinc/45/44/20/488454420.db2.gz CTSCUWSWMRJHKY-QGZVFWFLSA-N 1 3 352.523 0.822 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445234 488472750 /nfs/dbraw/zinc/47/27/50/488472750.db2.gz UJCVBHTUAMTGRM-QZTJIDSGSA-N 1 3 369.554 0.765 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445234 488472753 /nfs/dbraw/zinc/47/27/53/488472753.db2.gz UJCVBHTUAMTGRM-QZTJIDSGSA-N 1 3 369.554 0.765 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752601 488475672 /nfs/dbraw/zinc/47/56/72/488475672.db2.gz XNAOTWQRVRLRCP-RDJZCZTQSA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752601 488475673 /nfs/dbraw/zinc/47/56/73/488475673.db2.gz XNAOTWQRVRLRCP-RDJZCZTQSA-N 1 3 365.522 0.807 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@H]3CNCCO3)c2)C1 ZINC000269256383 488483698 /nfs/dbraw/zinc/48/36/98/488483698.db2.gz JZOGMTKJCQJWKF-ROUUACIJSA-N 1 3 374.485 0.379 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@H]3CNCCO3)c2)C1 ZINC000269256383 488483701 /nfs/dbraw/zinc/48/37/01/488483701.db2.gz JZOGMTKJCQJWKF-ROUUACIJSA-N 1 3 374.485 0.379 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@H]3CNCCO3)c2)C1 ZINC000269256378 488483765 /nfs/dbraw/zinc/48/37/65/488483765.db2.gz JZOGMTKJCQJWKF-MSOLQXFVSA-N 1 3 374.485 0.379 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@H]3CNCCO3)c2)C1 ZINC000269256378 488483768 /nfs/dbraw/zinc/48/37/68/488483768.db2.gz JZOGMTKJCQJWKF-MSOLQXFVSA-N 1 3 374.485 0.379 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000247292873 488484286 /nfs/dbraw/zinc/48/42/86/488484286.db2.gz UGGSQASDEFATKS-NVXWUHKLSA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000247292873 488484287 /nfs/dbraw/zinc/48/42/87/488484287.db2.gz UGGSQASDEFATKS-NVXWUHKLSA-N 1 3 363.506 0.419 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1=O ZINC000247301802 488484303 /nfs/dbraw/zinc/48/43/03/488484303.db2.gz PDJKOFIUYNEARI-BHYGNILZSA-N 1 3 350.507 0.905 20 0 FCADHO COC1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000269310341 488490304 /nfs/dbraw/zinc/49/03/04/488490304.db2.gz WLIIEBMFQMOCMA-UHFFFAOYSA-N 1 3 361.490 0.479 20 0 FCADHO C[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000102048629 488497105 /nfs/dbraw/zinc/49/71/05/488497105.db2.gz BLEYWHKRGNIVCE-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049262 488497173 /nfs/dbraw/zinc/49/71/73/488497173.db2.gz WBPPURCXGMENPL-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049262 488497174 /nfs/dbraw/zinc/49/71/74/488497174.db2.gz WBPPURCXGMENPL-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103236760 488500579 /nfs/dbraw/zinc/50/05/79/488500579.db2.gz ZPVYXXQQUQTOTR-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103236760 488500584 /nfs/dbraw/zinc/50/05/84/488500584.db2.gz ZPVYXXQQUQTOTR-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO Cc1nc2ncnn2c(C)c1CCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212548 488500741 /nfs/dbraw/zinc/50/07/41/488500741.db2.gz RJUXRIIBEIPAOQ-UHFFFAOYSA-N 1 3 361.494 0.626 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000103576709 488502701 /nfs/dbraw/zinc/50/27/01/488502701.db2.gz YIEVYTBCGQAKFD-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000103576709 488502703 /nfs/dbraw/zinc/50/27/03/488502703.db2.gz YIEVYTBCGQAKFD-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000105223240 488508119 /nfs/dbraw/zinc/50/81/19/488508119.db2.gz CJSNURMNNHYZTD-INIZCTEOSA-N 1 3 353.511 0.570 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493353 488529634 /nfs/dbraw/zinc/52/96/34/488529634.db2.gz WJJWLHYRXRQBPF-JKSUJKDBSA-N 1 3 353.511 0.747 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493353 488529635 /nfs/dbraw/zinc/52/96/35/488529635.db2.gz WJJWLHYRXRQBPF-JKSUJKDBSA-N 1 3 353.511 0.747 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000261699937 488531743 /nfs/dbraw/zinc/53/17/43/488531743.db2.gz OOYHFJIADFQBBJ-LBPRGKRZSA-N 1 3 363.849 0.635 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261799762 488536489 /nfs/dbraw/zinc/53/64/89/488536489.db2.gz IUXHQWXIPRSERD-YYIAUSFCSA-N 1 3 350.507 0.966 20 0 FCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114598339 488541457 /nfs/dbraw/zinc/54/14/57/488541457.db2.gz SGQMRLBSWJHEPM-GOSISDBHSA-N 1 3 369.554 0.550 20 0 FCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114598339 488541459 /nfs/dbraw/zinc/54/14/59/488541459.db2.gz SGQMRLBSWJHEPM-GOSISDBHSA-N 1 3 369.554 0.550 20 0 FCADHO C[NH+]1CCC(CCNC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000114595444 488541740 /nfs/dbraw/zinc/54/17/40/488541740.db2.gz YNGSHUFAKKYPIA-UHFFFAOYSA-N 1 3 369.554 0.408 20 0 FCADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC000262428443 488569736 /nfs/dbraw/zinc/56/97/36/488569736.db2.gz BJJVCFYRCIOUDG-RBUKOAKNSA-N 1 3 360.502 0.736 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC2(C[NH3+])CCCCC2)cn1 ZINC000262626208 488582906 /nfs/dbraw/zinc/58/29/06/488582906.db2.gz DNHHAMAPSHQJMW-UHFFFAOYSA-N 1 3 364.494 0.799 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000263278420 488608975 /nfs/dbraw/zinc/60/89/75/488608975.db2.gz ZFRPOFXSLOUZPE-IBGZPJMESA-N 1 3 360.502 0.909 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000126916790 488612855 /nfs/dbraw/zinc/61/28/55/488612855.db2.gz NUHJHEBRGOCQBU-HLLBOEOZSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000126916790 488612856 /nfs/dbraw/zinc/61/28/56/488612856.db2.gz NUHJHEBRGOCQBU-HLLBOEOZSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000126917259 488612899 /nfs/dbraw/zinc/61/28/99/488612899.db2.gz NUHJHEBRGOCQBU-BFYDXBDKSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000126917259 488612901 /nfs/dbraw/zinc/61/29/01/488612901.db2.gz NUHJHEBRGOCQBU-BFYDXBDKSA-N 1 3 365.522 0.854 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000132133391 488650924 /nfs/dbraw/zinc/65/09/24/488650924.db2.gz ZYRZAVMHSVVOIH-SFHVURJKSA-N 1 3 350.463 0.424 20 0 FCADHO CN(C)CCOc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccn1 ZINC000137086360 488679799 /nfs/dbraw/zinc/67/97/99/488679799.db2.gz QWTAYDBTILIRAA-UHFFFAOYSA-N 1 3 350.463 0.863 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000136958686 488679814 /nfs/dbraw/zinc/67/98/14/488679814.db2.gz UGGSQASDEFATKS-RDJZCZTQSA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000136958686 488679815 /nfs/dbraw/zinc/67/98/15/488679815.db2.gz UGGSQASDEFATKS-RDJZCZTQSA-N 1 3 363.506 0.419 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[N@H+](C)C1CC1 ZINC000138950236 488683326 /nfs/dbraw/zinc/68/33/26/488683326.db2.gz OAIRQSULTFEVIA-GDBMZVCRSA-N 1 3 351.495 0.417 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[N@@H+](C)C1CC1 ZINC000138950236 488683328 /nfs/dbraw/zinc/68/33/28/488683328.db2.gz OAIRQSULTFEVIA-GDBMZVCRSA-N 1 3 351.495 0.417 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1CCN(c2ccncc2)CC1 ZINC000563086540 491214453 /nfs/dbraw/zinc/21/44/53/491214453.db2.gz MWJDATULCRQMRQ-QGZVFWFLSA-N 1 3 359.474 0.673 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000154657685 488745762 /nfs/dbraw/zinc/74/57/62/488745762.db2.gz IZWNQDJAJDEOHQ-KBPBESRZSA-N 1 3 350.467 0.372 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155615074 488757422 /nfs/dbraw/zinc/75/74/22/488757422.db2.gz OCOSNZYGVHHJTH-AEFFLSMTSA-N 1 3 352.523 0.630 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155615074 488757423 /nfs/dbraw/zinc/75/74/23/488757423.db2.gz OCOSNZYGVHHJTH-AEFFLSMTSA-N 1 3 352.523 0.630 20 0 FCADHO CSCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000157331060 488771128 /nfs/dbraw/zinc/77/11/28/488771128.db2.gz OOOFLSSXOIIUBU-HNNXBMFYSA-N 1 3 351.520 0.872 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1=O ZINC000276158293 488782727 /nfs/dbraw/zinc/78/27/27/488782727.db2.gz HHZFRBQWZLQXEH-SFHVURJKSA-N 1 3 360.502 0.817 20 0 FCADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)CN1CCN(C)CC1 ZINC000174918436 488852242 /nfs/dbraw/zinc/85/22/42/488852242.db2.gz TVXOJPIMMPJSNH-MRXNPFEDSA-N 1 3 355.527 0.280 20 0 FCADHO CN(CCCN(C)CC(=O)NCCOc1ccccc1)CC[NH+](C)C ZINC000288779896 489015016 /nfs/dbraw/zinc/01/50/16/489015016.db2.gz BPLHRZFHLCNKMV-UHFFFAOYSA-N 1 3 350.507 0.997 20 0 FCADHO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CNCc2ccccc21 ZINC000570278640 491229773 /nfs/dbraw/zinc/22/97/73/491229773.db2.gz HCJVLEGWCLQMQP-SCTDSRPQSA-N 1 3 356.470 0.636 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000365328891 489064139 /nfs/dbraw/zinc/06/41/39/489064139.db2.gz GIEVAIPNFNBUSZ-IXDOHACOSA-N 1 3 360.458 0.514 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298784 489088910 /nfs/dbraw/zinc/08/89/10/489088910.db2.gz HPKVNYGUGLDDAY-HOTGVXAUSA-N 1 3 366.506 0.108 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CCO1 ZINC000365805897 489115173 /nfs/dbraw/zinc/11/51/73/489115173.db2.gz DQMMWNNJFYZNNH-INIZCTEOSA-N 1 3 365.478 0.494 20 0 FCADHO COC(=O)[C@]1(C)CCN(CCOCC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136920 /nfs/dbraw/zinc/13/69/20/489136920.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 1 3 356.463 0.773 20 0 FCADHO COC(=O)[C@]1(C)CCN(CCOCC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136922 /nfs/dbraw/zinc/13/69/22/489136922.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 1 3 356.463 0.773 20 0 FCADHO COC(=O)[C@]1(C)CC[N@@H+](CCOCCN2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136926 /nfs/dbraw/zinc/13/69/26/489136926.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 1 3 356.463 0.773 20 0 FCADHO COC(=O)[C@]1(C)CC[N@H+](CCOCCN2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032004 489136930 /nfs/dbraw/zinc/13/69/30/489136930.db2.gz ZEPYIKPYNUWBKS-HDICACEKSA-N 1 3 356.463 0.773 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331386328 489204565 /nfs/dbraw/zinc/20/45/65/489204565.db2.gz IAFQLQAPBZAQHA-OAGGEKHMSA-N 1 3 350.507 0.681 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000331447068 489212593 /nfs/dbraw/zinc/21/25/93/489212593.db2.gz CFFKYZGJSJIRIR-QXSJWSMHSA-N 1 3 350.507 0.727 20 0 FCADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524083 489248376 /nfs/dbraw/zinc/24/83/76/489248376.db2.gz ZMQKFPDWKZERAH-DLBZAZTESA-N 1 3 367.538 0.422 20 0 FCADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524083 489248379 /nfs/dbraw/zinc/24/83/79/489248379.db2.gz ZMQKFPDWKZERAH-DLBZAZTESA-N 1 3 367.538 0.422 20 0 FCADHO C[C@@H](CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CN1CCOCC1 ZINC000369524083 489248383 /nfs/dbraw/zinc/24/83/83/489248383.db2.gz ZMQKFPDWKZERAH-DLBZAZTESA-N 1 3 367.538 0.422 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CCC[NH3+])c(C)c2)CC1 ZINC000563489561 491250627 /nfs/dbraw/zinc/25/06/27/491250627.db2.gz IAFCMHIROXHSRS-UHFFFAOYSA-N 1 3 361.490 0.883 20 0 FCADHO C[C@H](CNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896044 489404105 /nfs/dbraw/zinc/40/41/05/489404105.db2.gz GTSVCESKVJSVKE-FGTMMUONSA-N 1 3 367.538 0.111 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000286623088 489410769 /nfs/dbraw/zinc/41/07/69/489410769.db2.gz ZAASCSLYHDZCFH-OAHLLOKOSA-N 1 3 364.490 0.700 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@]3(F)CCNC3)c2)C1 ZINC000371271462 489472249 /nfs/dbraw/zinc/47/22/49/489472249.db2.gz RATUODGLXANQPZ-LPHOPBHVSA-N 1 3 362.449 0.702 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@]3(F)CCNC3)c2)C1 ZINC000371271462 489472251 /nfs/dbraw/zinc/47/22/51/489472251.db2.gz RATUODGLXANQPZ-LPHOPBHVSA-N 1 3 362.449 0.702 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423094899 489492879 /nfs/dbraw/zinc/49/28/79/489492879.db2.gz KWYJUQRKLQAYJM-CQSZACIVSA-N 1 3 350.438 0.523 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676697 491257091 /nfs/dbraw/zinc/25/70/91/491257091.db2.gz UZLVNDBRAIXCKZ-YWTNHNAXSA-N 1 3 355.523 0.547 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676697 491257094 /nfs/dbraw/zinc/25/70/94/491257094.db2.gz UZLVNDBRAIXCKZ-YWTNHNAXSA-N 1 3 355.523 0.547 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423128514 489495615 /nfs/dbraw/zinc/49/56/15/489495615.db2.gz KTGMFUJWTWQJGS-IRXDYDNUSA-N 1 3 352.523 0.881 20 0 FCADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423154352 489497532 /nfs/dbraw/zinc/49/75/32/489497532.db2.gz OTPNSXLBTCAGLA-KURKYZTESA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423194444 489501501 /nfs/dbraw/zinc/50/15/01/489501501.db2.gz RLVSDKZKLPIONG-QGZVFWFLSA-N 1 3 368.522 0.533 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423200203 489502028 /nfs/dbraw/zinc/50/20/28/489502028.db2.gz DVSQXCQKLWFNRO-AWEZNQCLSA-N 1 3 368.428 0.805 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423203749 489502195 /nfs/dbraw/zinc/50/21/95/489502195.db2.gz NEZIICOAUNLOGT-IYBDPMFKSA-N 1 3 362.449 0.394 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423211792 489503401 /nfs/dbraw/zinc/50/34/01/489503401.db2.gz YZBPEWKIDVXBAB-UHFFFAOYSA-N 1 3 368.428 0.805 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423212131 489503536 /nfs/dbraw/zinc/50/35/36/489503536.db2.gz LQHXLVYAVSVKJI-ARFHVFGLSA-N 1 3 354.495 0.141 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000423258893 489508576 /nfs/dbraw/zinc/50/85/76/489508576.db2.gz MZWKIZLBQQIZKI-KRWDZBQOSA-N 1 3 362.474 0.071 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CCCC2)CC1 ZINC000570720495 491260065 /nfs/dbraw/zinc/26/00/65/491260065.db2.gz GBFROUOBHCEUNC-CABCVRRESA-N 1 3 368.522 0.768 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949405 489527626 /nfs/dbraw/zinc/52/76/26/489527626.db2.gz VHDJDTCOOLPUBQ-MSOLQXFVSA-N 1 3 367.538 0.517 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(C)c2)CC1 ZINC000415546696 489528542 /nfs/dbraw/zinc/52/85/42/489528542.db2.gz BKAKNUGCUCIXJD-HNNXBMFYSA-N 1 3 361.490 0.929 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748339 491261697 /nfs/dbraw/zinc/26/16/97/491261697.db2.gz AFFWPPHMCFCZBA-HOTGVXAUSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748339 491261698 /nfs/dbraw/zinc/26/16/98/491261698.db2.gz AFFWPPHMCFCZBA-HOTGVXAUSA-N 1 3 366.506 0.347 20 0 FCADHO CN(C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1C[NH2+]C1 ZINC000415734639 489548299 /nfs/dbraw/zinc/54/82/99/489548299.db2.gz KLZXYVMQUAEFQT-UHFFFAOYSA-N 1 3 371.485 0.587 20 0 FCADHO CN(CC[NH3+])C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415883049 489562717 /nfs/dbraw/zinc/56/27/17/489562717.db2.gz ZAZNVCOSFZMWAH-UHFFFAOYSA-N 1 3 359.474 0.574 20 0 FCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415957718 489566209 /nfs/dbraw/zinc/56/62/09/489566209.db2.gz UWGQTVHKQKCRJH-OAHLLOKOSA-N 1 3 365.482 0.365 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416004573 489567313 /nfs/dbraw/zinc/56/73/13/489567313.db2.gz IQPCKTFNZYZUPG-NWDGAFQWSA-N 1 3 367.416 0.508 20 0 FCADHO C[C@H](CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000454647064 489574999 /nfs/dbraw/zinc/57/49/99/489574999.db2.gz TVQLCIJTWNVYGI-OKILXGFUSA-N 1 3 358.527 0.693 20 0 FCADHO C[C@H](CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000454647064 489575001 /nfs/dbraw/zinc/57/50/01/489575001.db2.gz TVQLCIJTWNVYGI-OKILXGFUSA-N 1 3 358.527 0.693 20 0 FCADHO O=C(NCCN1CC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000416984984 489637951 /nfs/dbraw/zinc/63/79/51/489637951.db2.gz YGTVVOFLMVRXSD-UHFFFAOYSA-N 1 3 359.518 0.898 20 0 FCADHO CC1CCN(CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417018283 489638639 /nfs/dbraw/zinc/63/86/39/489638639.db2.gz PXPHHTNPSNOQHZ-AEFFLSMTSA-N 1 3 365.522 0.664 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000417027553 489639220 /nfs/dbraw/zinc/63/92/20/489639220.db2.gz ZXXZIHRLJFYTSW-BZUAXINKSA-N 1 3 353.511 0.603 20 0 FCADHO [NH3+]CCN(CCO)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417139928 489643141 /nfs/dbraw/zinc/64/31/41/489643141.db2.gz DBAPIDDOFINVHL-UHFFFAOYSA-N 1 3 363.506 0.551 20 0 FCADHO C[C@@H]1CN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000417383748 489650520 /nfs/dbraw/zinc/65/05/20/489650520.db2.gz KQDZIJUCCNJRPM-AEFFLSMTSA-N 1 3 360.506 0.972 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417426687 489651452 /nfs/dbraw/zinc/65/14/52/489651452.db2.gz HFPHEBWTXURPLP-HOTGVXAUSA-N 1 3 353.511 0.746 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000417429826 489652586 /nfs/dbraw/zinc/65/25/86/489652586.db2.gz NXPJUURGAXYHJL-ARFHVFGLSA-N 1 3 353.511 0.616 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417431056 489652831 /nfs/dbraw/zinc/65/28/31/489652831.db2.gz QKHCNZLOJLURAO-CVEARBPZSA-N 1 3 355.527 0.944 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417436226 489653488 /nfs/dbraw/zinc/65/34/88/489653488.db2.gz ZNDKBLUWZNFWHD-QAPCUYQASA-N 1 3 353.511 0.618 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000417531334 489657363 /nfs/dbraw/zinc/65/73/63/489657363.db2.gz UIOFBIVQKHZBLR-SFHVURJKSA-N 1 3 364.490 0.847 20 0 FCADHO [NH3+]C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)C1CCCCC1 ZINC000417643426 489660049 /nfs/dbraw/zinc/66/00/49/489660049.db2.gz CKIYWDIFAGTNJC-GOSISDBHSA-N 1 3 369.554 0.583 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000417815560 489666771 /nfs/dbraw/zinc/66/67/71/489666771.db2.gz ICIYLGODSOHAFE-RHSMWYFYSA-N 1 3 371.551 0.453 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000417828097 489667562 /nfs/dbraw/zinc/66/75/62/489667562.db2.gz GHUKMGHFGDSHHB-LESCRADOSA-N 1 3 364.465 0.735 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000458411122 489682133 /nfs/dbraw/zinc/68/21/33/489682133.db2.gz AQLDUSALITTWIM-INIZCTEOSA-N 1 3 355.527 0.422 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000458411122 489682135 /nfs/dbraw/zinc/68/21/35/489682135.db2.gz AQLDUSALITTWIM-INIZCTEOSA-N 1 3 355.527 0.422 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)n2)CC1 ZINC000373263986 489683386 /nfs/dbraw/zinc/68/33/86/489683386.db2.gz MVXKRXZNAOJTDX-UHFFFAOYSA-N 1 3 364.494 0.792 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000555755172 491271042 /nfs/dbraw/zinc/27/10/42/491271042.db2.gz IMGFNXXVJFQEBC-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CCN1C1CCN(C)CC1 ZINC000418304478 489689911 /nfs/dbraw/zinc/68/99/11/489689911.db2.gz YKXQHXQKQFIQFO-KRWDZBQOSA-N 1 3 366.554 0.092 20 0 FCADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418304178 489690076 /nfs/dbraw/zinc/69/00/76/489690076.db2.gz XJHUSNMPDSOTTN-GOSISDBHSA-N 1 3 363.506 0.892 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418484779 489701948 /nfs/dbraw/zinc/70/19/48/489701948.db2.gz DRGUBEJQFJVTDW-SJORKVTESA-N 1 3 361.490 0.312 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1CCCOCC1 ZINC000458840023 489705601 /nfs/dbraw/zinc/70/56/01/489705601.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1CCCOCC1 ZINC000458840023 489705604 /nfs/dbraw/zinc/70/56/04/489705604.db2.gz JBTYFPOXCRTKCE-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO O=C(NCc1ccc2c(c1)CNC2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418561295 489706846 /nfs/dbraw/zinc/70/68/46/489706846.db2.gz YVDRUYWMXZSCCE-OAHLLOKOSA-N 1 3 371.407 0.925 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418758147 489722782 /nfs/dbraw/zinc/72/27/82/489722782.db2.gz ZWKUVRVPKAMSEN-MRXNPFEDSA-N 1 3 351.495 0.468 20 0 FCADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418775402 489725596 /nfs/dbraw/zinc/72/55/96/489725596.db2.gz DUGAZWXMDUZLMH-MRXNPFEDSA-N 1 3 361.490 0.168 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCCN1CCCCCC1 ZINC000418793678 489728462 /nfs/dbraw/zinc/72/84/62/489728462.db2.gz OWNNJXRMJMMXFZ-IXDOHACOSA-N 1 3 365.522 0.666 20 0 FCADHO C[N@H+](C[C@H](O)CNCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956200 491276249 /nfs/dbraw/zinc/27/62/49/491276249.db2.gz XQGBFGCKBHFJKS-QGZVFWFLSA-N 1 3 361.490 0.165 20 0 FCADHO C[N@@H+](C[C@H](O)CNCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956200 491276252 /nfs/dbraw/zinc/27/62/52/491276252.db2.gz XQGBFGCKBHFJKS-QGZVFWFLSA-N 1 3 361.490 0.165 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838033 489748998 /nfs/dbraw/zinc/74/89/98/489748998.db2.gz ACQGMCLPYUOHTF-TZMCWYRMSA-N 1 3 354.495 0.595 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000418874529 489769913 /nfs/dbraw/zinc/76/99/13/489769913.db2.gz ZYVWTTYIAWOXNA-JKSUJKDBSA-N 1 3 368.522 0.498 20 0 FCADHO NC1(CNC(=O)C(=O)N[C@@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418875133 489770144 /nfs/dbraw/zinc/77/01/44/489770144.db2.gz VTIZGVLZAFUNKV-QGZVFWFLSA-N 1 3 374.485 0.391 20 0 FCADHO O=C(COC1C[NH2+]C1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000430783662 489770604 /nfs/dbraw/zinc/77/06/04/489770604.db2.gz NQCBLRNTLGVGJE-UHFFFAOYSA-N 1 3 351.422 0.774 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418877447 489770889 /nfs/dbraw/zinc/77/08/89/489770889.db2.gz IYEKTAUQENFMGN-OAGGEKHMSA-N 1 3 354.495 0.332 20 0 FCADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C[C@H]3CNCCO3)cc2)CC1 ZINC000430870077 489774582 /nfs/dbraw/zinc/77/45/82/489774582.db2.gz SCHPSYRVBFTWIY-SFHVURJKSA-N 1 3 374.485 0.743 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)[C@@H]1C[NH3+] ZINC000418885238 489774900 /nfs/dbraw/zinc/77/49/00/489774900.db2.gz YGJMYFGWTVGNRG-BZUAXINKSA-N 1 3 354.495 0.189 20 0 FCADHO COCCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCCN1C ZINC000474658071 489777909 /nfs/dbraw/zinc/77/79/09/489777909.db2.gz GKMAHEWWKAMKHH-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO COCCN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCCN1C ZINC000474658071 489777911 /nfs/dbraw/zinc/77/79/11/489777911.db2.gz GKMAHEWWKAMKHH-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](CN)C1 ZINC000419000402 489814245 /nfs/dbraw/zinc/81/42/45/489814245.db2.gz OHXOTGWVLLEQMT-JKSUJKDBSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419032480 489826633 /nfs/dbraw/zinc/82/66/33/489826633.db2.gz WSLLEYCRXWPPQK-YYIAUSFCSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419042225 489831012 /nfs/dbraw/zinc/83/10/12/489831012.db2.gz LHYHDLZJGOITPG-QGZVFWFLSA-N 1 3 370.538 0.824 20 0 FCADHO C[C@@H]1CN(CCC[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCCO1 ZINC000432362797 489839451 /nfs/dbraw/zinc/83/94/51/489839451.db2.gz PDJLFTNTGZBFAU-QGZVFWFLSA-N 1 3 362.522 0.819 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000419065494 489841799 /nfs/dbraw/zinc/84/17/99/489841799.db2.gz ADNLKHJANXOIBE-ZWKOTPCHSA-N 1 3 374.485 0.467 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068564 489843717 /nfs/dbraw/zinc/84/37/17/489843717.db2.gz FQLUYWQVSYLKFN-WMLDXEAASA-N 1 3 364.490 1.000 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069852 489844470 /nfs/dbraw/zinc/84/44/70/489844470.db2.gz GQSKGAORGYWPJC-BBRMVZONSA-N 1 3 350.463 0.658 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419078807 489848602 /nfs/dbraw/zinc/84/86/02/489848602.db2.gz LRVVRCNURXXIEY-MRXNPFEDSA-N 1 3 368.522 0.724 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419080890 489849606 /nfs/dbraw/zinc/84/96/06/489849606.db2.gz QMWKTKZWIARYBR-YYIAUSFCSA-N 1 3 350.507 0.871 20 0 FCADHO COc1cccc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000555929971 491284022 /nfs/dbraw/zinc/28/40/22/491284022.db2.gz VQSUMCYRACOABH-HNNXBMFYSA-N 1 3 364.490 0.824 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH3+])c1 ZINC000419992603 489875652 /nfs/dbraw/zinc/87/56/52/489875652.db2.gz LOOMSEHOLWLSQL-CQSZACIVSA-N 1 3 350.463 0.439 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625871 489876946 /nfs/dbraw/zinc/87/69/46/489876946.db2.gz IYGWFDMTGQYPCQ-AWEZNQCLSA-N 1 3 367.498 0.693 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625871 489876951 /nfs/dbraw/zinc/87/69/51/489876951.db2.gz IYGWFDMTGQYPCQ-AWEZNQCLSA-N 1 3 367.498 0.693 20 0 FCADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420037662 489888790 /nfs/dbraw/zinc/88/87/90/489888790.db2.gz UWIWTODHBUJLQU-SJLPKXTDSA-N 1 3 358.486 0.820 20 0 FCADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420037662 489888792 /nfs/dbraw/zinc/88/87/92/489888792.db2.gz UWIWTODHBUJLQU-SJLPKXTDSA-N 1 3 358.486 0.820 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420043314 489891564 /nfs/dbraw/zinc/89/15/64/489891564.db2.gz RSAHSIMEDJIUAO-ZNMIVQPWSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420043314 489891566 /nfs/dbraw/zinc/89/15/66/489891566.db2.gz RSAHSIMEDJIUAO-ZNMIVQPWSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000420044155 489891763 /nfs/dbraw/zinc/89/17/63/489891763.db2.gz SOZLKFJDWWGGKJ-CWRNSKLLSA-N 1 3 366.506 0.406 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044155 489891764 /nfs/dbraw/zinc/89/17/64/489891764.db2.gz SOZLKFJDWWGGKJ-CWRNSKLLSA-N 1 3 366.506 0.406 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000420047122 489892397 /nfs/dbraw/zinc/89/23/97/489892397.db2.gz WBWVALRSZBQJFP-KKUMJFAQSA-N 1 3 352.479 0.302 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064850 489899989 /nfs/dbraw/zinc/89/99/89/489899989.db2.gz OYHFQPWENXRXNK-ZBFHGGJFSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420076098 489904733 /nfs/dbraw/zinc/90/47/33/489904733.db2.gz LJCCSAJPMMDDKW-OKILXGFUSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097731 489911114 /nfs/dbraw/zinc/91/11/14/489911114.db2.gz AJZFFRZNUVKEBU-PBHICJAKSA-N 1 3 364.465 0.973 20 0 FCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420108248 489914809 /nfs/dbraw/zinc/91/48/09/489914809.db2.gz XAQFVJDELPLFKZ-SFHVURJKSA-N 1 3 356.470 0.993 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134465 489925068 /nfs/dbraw/zinc/92/50/68/489925068.db2.gz USVPXHQPDWSFOS-HOCLYGCPSA-N 1 3 364.465 0.973 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000477038264 489935422 /nfs/dbraw/zinc/93/54/22/489935422.db2.gz ZXZVMJDRZMEOFR-OAHLLOKOSA-N 1 3 356.511 0.402 20 0 FCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420163940 489937188 /nfs/dbraw/zinc/93/71/88/489937188.db2.gz LLHFZZBKNUQNNH-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000420172173 489939542 /nfs/dbraw/zinc/93/95/42/489939542.db2.gz OWRBVGMTEZAARN-CYBMUJFWSA-N 1 3 370.444 0.969 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420173314 489939603 /nfs/dbraw/zinc/93/96/03/489939603.db2.gz XASURNRGZVUKHC-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420182728 489943651 /nfs/dbraw/zinc/94/36/51/489943651.db2.gz KFEFVCAYRXZFOP-UHFFFAOYSA-N 1 3 368.522 0.453 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420182728 489943655 /nfs/dbraw/zinc/94/36/55/489943655.db2.gz KFEFVCAYRXZFOP-UHFFFAOYSA-N 1 3 368.522 0.453 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420184645 489944269 /nfs/dbraw/zinc/94/42/69/489944269.db2.gz IPDNTFQAEYRVNN-OAHLLOKOSA-N 1 3 368.503 0.133 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)C2)CC1 ZINC000420188197 489945921 /nfs/dbraw/zinc/94/59/21/489945921.db2.gz CLANSDGSCFBPKV-SJORKVTESA-N 1 3 366.506 0.062 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420206289 489952070 /nfs/dbraw/zinc/95/20/70/489952070.db2.gz PYPCUDZKCMVGHO-KBPBESRZSA-N 1 3 352.504 0.882 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798583 489959916 /nfs/dbraw/zinc/95/99/16/489959916.db2.gz KEBYXIOAWOOVSD-JKSUJKDBSA-N 1 3 362.522 0.795 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798583 489959918 /nfs/dbraw/zinc/95/99/18/489959918.db2.gz KEBYXIOAWOOVSD-JKSUJKDBSA-N 1 3 362.522 0.795 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867508 489963914 /nfs/dbraw/zinc/96/39/14/489963914.db2.gz FDILKAKBEJKWEW-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867508 489963917 /nfs/dbraw/zinc/96/39/17/489963917.db2.gz FDILKAKBEJKWEW-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000420373298 489968949 /nfs/dbraw/zinc/96/89/49/489968949.db2.gz GAEANMIKSNDTRC-JQHSSLGASA-N 1 3 352.523 0.757 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000556071374 491291963 /nfs/dbraw/zinc/29/19/63/491291963.db2.gz UATWCGYPBULVBD-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000477612182 489976672 /nfs/dbraw/zinc/97/66/72/489976672.db2.gz DMUBJCJMNISLDB-INIZCTEOSA-N 1 3 368.522 0.450 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000477612182 489976679 /nfs/dbraw/zinc/97/66/79/489976679.db2.gz DMUBJCJMNISLDB-INIZCTEOSA-N 1 3 368.522 0.450 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420442215 489977170 /nfs/dbraw/zinc/97/71/70/489977170.db2.gz DNIUVKNTFBJUQN-CABCVRRESA-N 1 3 355.508 0.577 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000477627827 489979376 /nfs/dbraw/zinc/97/93/76/489979376.db2.gz QQKUMDHQSWIJND-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477653710 489982868 /nfs/dbraw/zinc/98/28/68/489982868.db2.gz RAUWYLUOUDPYQM-SJORKVTESA-N 1 3 366.506 0.299 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000477679975 489984188 /nfs/dbraw/zinc/98/41/88/489984188.db2.gz QPXMBRUYISDOBM-UHFFFAOYSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378003117 489994534 /nfs/dbraw/zinc/99/45/34/489994534.db2.gz LYUKMSMEEGQRPL-AWEZNQCLSA-N 1 3 353.511 0.698 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000478247773 490011771 /nfs/dbraw/zinc/01/17/71/490011771.db2.gz BZQZXZJJPOSQBH-LJQANCHMSA-N 1 3 360.502 0.689 20 0 FCADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCO[C@@H](C[NH3+])C1 ZINC000478265232 490013122 /nfs/dbraw/zinc/01/31/22/490013122.db2.gz FVVGRCGYBFOVOS-LPHOPBHVSA-N 1 3 360.502 0.815 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420801331 490022903 /nfs/dbraw/zinc/02/29/03/490022903.db2.gz KHHDBSMAQMNVLP-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000519785885 490084110 /nfs/dbraw/zinc/08/41/10/490084110.db2.gz DXLBJNLAHNFGMW-OAHLLOKOSA-N 1 3 350.507 0.943 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@H]2CCCN2C)CC1=O ZINC000422012790 490125905 /nfs/dbraw/zinc/12/59/05/490125905.db2.gz CJCMUQZBIPCLSQ-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@H]2CCCN2C)CC1=O ZINC000422012790 490125912 /nfs/dbraw/zinc/12/59/12/490125912.db2.gz CJCMUQZBIPCLSQ-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCNCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677480 490125937 /nfs/dbraw/zinc/12/59/37/490125937.db2.gz CPIQACGNTQKIFU-WMZOPIPTSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCNCC2)CC[N@H+]1Cc1ccccc1 ZINC000379677480 490125945 /nfs/dbraw/zinc/12/59/45/490125945.db2.gz CPIQACGNTQKIFU-WMZOPIPTSA-N 1 3 358.486 0.978 20 0 FCADHO CCOc1ncc(C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000520344302 490133710 /nfs/dbraw/zinc/13/37/10/490133710.db2.gz GYXQXTKJBXCCQV-UHFFFAOYSA-N 1 3 365.478 0.679 20 0 FCADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446288162 490158068 /nfs/dbraw/zinc/15/80/68/490158068.db2.gz NYPMYTILCQSSPA-ABSDTBQOSA-N 1 3 366.550 0.909 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000446801191 490165465 /nfs/dbraw/zinc/16/54/65/490165465.db2.gz IKKKUQJIZHSSPI-CABCVRRESA-N 1 3 364.494 0.714 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000446801191 490165469 /nfs/dbraw/zinc/16/54/69/490165469.db2.gz IKKKUQJIZHSSPI-CABCVRRESA-N 1 3 364.494 0.714 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000466114639 490166682 /nfs/dbraw/zinc/16/66/82/490166682.db2.gz WUBRMDLZROYKCB-INIZCTEOSA-N 1 3 355.527 0.016 20 0 FCADHO C[C@@H]1COCCN1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000520615436 490171068 /nfs/dbraw/zinc/17/10/68/490171068.db2.gz XHBGUKPQWZNKGX-MRXNPFEDSA-N 1 3 367.538 0.565 20 0 FCADHO COCC1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CC[NH2+]CC1 ZINC000520804967 490191226 /nfs/dbraw/zinc/19/12/26/490191226.db2.gz FUGWZOOYYUWLFG-UHFFFAOYSA-N 1 3 355.479 0.394 20 0 FCADHO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676581 490192702 /nfs/dbraw/zinc/19/27/02/490192702.db2.gz IIDKKTAWMFBRMN-ZWKOTPCHSA-N 1 3 367.538 0.112 20 0 FCADHO C[N@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676581 490192708 /nfs/dbraw/zinc/19/27/08/490192708.db2.gz IIDKKTAWMFBRMN-ZWKOTPCHSA-N 1 3 367.538 0.112 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227667 490204777 /nfs/dbraw/zinc/20/47/77/490204777.db2.gz GTVSIXLAKWRBJJ-HNNXBMFYSA-N 1 3 353.511 0.700 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227667 490204785 /nfs/dbraw/zinc/20/47/85/490204785.db2.gz GTVSIXLAKWRBJJ-HNNXBMFYSA-N 1 3 353.511 0.700 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H](N)CC(F)F)c2)C1 ZINC000498209460 490273213 /nfs/dbraw/zinc/27/32/13/490273213.db2.gz YQKBMYMEWUMGCU-CABCVRRESA-N 1 3 368.428 0.983 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H](N)CC(F)F)c2)C1 ZINC000498209460 490273220 /nfs/dbraw/zinc/27/32/20/490273220.db2.gz YQKBMYMEWUMGCU-CABCVRRESA-N 1 3 368.428 0.983 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000422370340 490282065 /nfs/dbraw/zinc/28/20/65/490282065.db2.gz UHSBFGDGLHMUIF-SFHVURJKSA-N 1 3 373.501 0.967 20 0 FCADHO CN(CCNC(=O)C1CCN(C(=O)C2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000571568451 491316308 /nfs/dbraw/zinc/31/63/08/491316308.db2.gz PUUHFLNMGJRKPU-UHFFFAOYSA-N 1 3 358.486 0.693 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000422427335 490312782 /nfs/dbraw/zinc/31/27/82/490312782.db2.gz DDUACZOBRMUIGE-QGZVFWFLSA-N 1 3 350.507 0.918 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1(C)C ZINC000483423206 490316835 /nfs/dbraw/zinc/31/68/35/490316835.db2.gz XXXAAOWJVMESBP-CVEARBPZSA-N 1 3 367.538 0.118 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000564643804 491318008 /nfs/dbraw/zinc/31/80/08/491318008.db2.gz ZZCYWCQBCZSDRH-UHFFFAOYSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508560411 490338334 /nfs/dbraw/zinc/33/83/34/490338334.db2.gz ZVALOHNIKGOHIJ-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508560415 490338719 /nfs/dbraw/zinc/33/87/19/490338719.db2.gz ZVALOHNIKGOHIJ-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000484012326 490369528 /nfs/dbraw/zinc/36/95/28/490369528.db2.gz OYCMMZASCVPDLS-HNNXBMFYSA-N 1 3 356.511 0.308 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N(C)C ZINC000411143876 490394708 /nfs/dbraw/zinc/39/47/08/490394708.db2.gz NWQVWABXQYEXII-GFCCVEGCSA-N 1 3 354.426 0.771 20 0 FCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000422642568 490439478 /nfs/dbraw/zinc/43/94/78/490439478.db2.gz ZPPDKJIPFBEKMO-BRWVUGGUSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1CN ZINC000422642568 490439481 /nfs/dbraw/zinc/43/94/81/490439481.db2.gz ZPPDKJIPFBEKMO-BRWVUGGUSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1CN ZINC000422642568 490439484 /nfs/dbraw/zinc/43/94/84/490439484.db2.gz ZPPDKJIPFBEKMO-BRWVUGGUSA-N 1 3 360.506 0.821 20 0 FCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571745541 491326525 /nfs/dbraw/zinc/32/65/25/491326525.db2.gz ZZFJOSNXTQHTLJ-MOPGFXCFSA-N 1 3 357.502 0.950 20 0 FCADHO C[C@]1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000571746819 491326634 /nfs/dbraw/zinc/32/66/34/491326634.db2.gz XMDQAYMTXGWSFY-SFHVURJKSA-N 1 3 351.495 0.326 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000509709222 490454490 /nfs/dbraw/zinc/45/44/90/490454490.db2.gz AKTYAJHOANLONT-HZPDHXFCSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000509709222 490454495 /nfs/dbraw/zinc/45/44/95/490454495.db2.gz AKTYAJHOANLONT-HZPDHXFCSA-N 1 3 356.511 0.402 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000509720921 490455737 /nfs/dbraw/zinc/45/57/37/490455737.db2.gz LFLFISXVZSYCAL-UHFFFAOYSA-N 1 3 368.522 0.548 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000509731904 490457620 /nfs/dbraw/zinc/45/76/20/490457620.db2.gz XYQNBZFGCWDUFB-UHFFFAOYSA-N 1 3 355.527 0.912 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000509731904 490457627 /nfs/dbraw/zinc/45/76/27/490457627.db2.gz XYQNBZFGCWDUFB-UHFFFAOYSA-N 1 3 355.527 0.912 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000509723732 490457756 /nfs/dbraw/zinc/45/77/56/490457756.db2.gz GLILLLQLDMIRFG-OAHLLOKOSA-N 1 3 356.511 0.308 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000509723732 490457766 /nfs/dbraw/zinc/45/77/66/490457766.db2.gz GLILLLQLDMIRFG-OAHLLOKOSA-N 1 3 356.511 0.308 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000509723797 490457925 /nfs/dbraw/zinc/45/79/25/490457925.db2.gz ZJWZSNIVLVTTIQ-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000509723797 490457927 /nfs/dbraw/zinc/45/79/27/490457927.db2.gz ZJWZSNIVLVTTIQ-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422714587 490464905 /nfs/dbraw/zinc/46/49/05/490464905.db2.gz LDHSXUOMQFSXBH-ROUUACIJSA-N 1 3 362.522 0.735 20 0 FCADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770982 490475165 /nfs/dbraw/zinc/47/51/65/490475165.db2.gz QYTRATFOQSVSFY-NVXWUHKLSA-N 1 3 353.488 0.925 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000571787668 491329287 /nfs/dbraw/zinc/32/92/87/491329287.db2.gz QUOVENQHOGIPMI-HZRXROBNSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787668 491329290 /nfs/dbraw/zinc/32/92/90/491329290.db2.gz QUOVENQHOGIPMI-HZRXROBNSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1[C@H](C)CC(=O)C[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787668 491329291 /nfs/dbraw/zinc/32/92/91/491329291.db2.gz QUOVENQHOGIPMI-HZRXROBNSA-N 1 3 368.522 0.350 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413173882 490497865 /nfs/dbraw/zinc/49/78/65/490497865.db2.gz HOSSUDVBCVQZQU-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000510381844 490512695 /nfs/dbraw/zinc/51/26/95/490512695.db2.gz ZQAXUCWOMLTWPU-ZACQAIPSSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2(N(C)C)CCC2)CCCO1 ZINC000500458284 490519063 /nfs/dbraw/zinc/51/90/63/490519063.db2.gz SFGYNZZNDGPHTB-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(N(C)C)CCC2)CCCO1 ZINC000500458284 490519067 /nfs/dbraw/zinc/51/90/67/490519067.db2.gz SFGYNZZNDGPHTB-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423058767 490532299 /nfs/dbraw/zinc/53/22/99/490532299.db2.gz DBFSJMDBSCTCHT-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558357 490542489 /nfs/dbraw/zinc/54/24/89/490542489.db2.gz BVMHNBRECQCMKW-YJBOKZPZSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558357 490542491 /nfs/dbraw/zinc/54/24/91/490542491.db2.gz BVMHNBRECQCMKW-YJBOKZPZSA-N 1 3 358.486 0.834 20 0 FCADHO Cn1c2ccc(C[NH2+]CCCCN3CCN(CCO)CC3)cc2oc1=O ZINC000511082595 490559703 /nfs/dbraw/zinc/55/97/03/490559703.db2.gz SUIALRRYITWWOU-UHFFFAOYSA-N 1 3 362.474 0.611 20 0 FCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847808 490563719 /nfs/dbraw/zinc/56/37/19/490563719.db2.gz RVFDAVLFSIAIEU-SCTDSRPQSA-N 1 3 364.534 0.724 20 0 FCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847808 490563724 /nfs/dbraw/zinc/56/37/24/490563724.db2.gz RVFDAVLFSIAIEU-SCTDSRPQSA-N 1 3 364.534 0.724 20 0 FCADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCN2CCOCC2)CC1 ZINC000525127398 490576709 /nfs/dbraw/zinc/57/67/09/490576709.db2.gz DFCFOHOBYUAAPI-UHFFFAOYSA-N 1 3 354.539 0.735 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000571941753 491339135 /nfs/dbraw/zinc/33/91/35/491339135.db2.gz XVZPTKXLVYPBAW-VVLHAWIVSA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000571941753 491339138 /nfs/dbraw/zinc/33/91/38/491339138.db2.gz XVZPTKXLVYPBAW-VVLHAWIVSA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619632 490624213 /nfs/dbraw/zinc/62/42/13/490624213.db2.gz CQXMJFJLEKSDGB-UWWQBHOKSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619632 490624215 /nfs/dbraw/zinc/62/42/15/490624215.db2.gz CQXMJFJLEKSDGB-UWWQBHOKSA-N 1 3 362.518 0.966 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501625241 490625914 /nfs/dbraw/zinc/62/59/14/490625914.db2.gz PIQOBKWMOCWCKC-QGZVFWFLSA-N 1 3 368.522 0.404 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501625241 490625917 /nfs/dbraw/zinc/62/59/17/490625917.db2.gz PIQOBKWMOCWCKC-QGZVFWFLSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000572001990 491342516 /nfs/dbraw/zinc/34/25/16/491342516.db2.gz XXCXOMRPEOQOAY-KBPBESRZSA-N 1 3 350.463 0.485 20 0 FCADHO CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000572059416 491345939 /nfs/dbraw/zinc/34/59/39/491345939.db2.gz GYZSKRYNSYAAPG-HOTGVXAUSA-N 1 3 351.495 0.452 20 0 FCADHO CC[C@@H]1C(=O)NCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572055768 491346015 /nfs/dbraw/zinc/34/60/15/491346015.db2.gz LXUZFPYWMRIOMY-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000502777030 490721282 /nfs/dbraw/zinc/72/12/82/490721282.db2.gz KVOJFNRWFJFBJW-HNNXBMFYSA-N 1 3 353.511 0.665 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015090 491349760 /nfs/dbraw/zinc/34/97/60/491349760.db2.gz BFCQJIWTYSNGKR-IAGOWNOFSA-N 1 3 367.538 0.070 20 0 FCADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CN2CCN1CCC2 ZINC000488641705 490769518 /nfs/dbraw/zinc/76/95/18/490769518.db2.gz FFCKPGXDYWXHDI-QGZVFWFLSA-N 1 3 350.507 0.528 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000515005796 490802286 /nfs/dbraw/zinc/80/22/86/490802286.db2.gz PSNJVCVRSMGKJM-QGZVFWFLSA-N 1 3 352.523 0.975 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000572234250 491357166 /nfs/dbraw/zinc/35/71/66/491357166.db2.gz MQPTZMGCRACNKV-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000505322177 490826884 /nfs/dbraw/zinc/82/68/84/490826884.db2.gz CYBMPTQULWQGER-UHFFFAOYSA-N 1 3 366.510 0.960 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672708 490835309 /nfs/dbraw/zinc/83/53/09/490835309.db2.gz JEHVNLKEEHHRDX-RCCFBDPRSA-N 1 3 371.485 0.777 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(=O)N1CCOCC1 ZINC000505804031 490840146 /nfs/dbraw/zinc/84/01/46/490840146.db2.gz YPZOLJBWEXDNKU-QGZVFWFLSA-N 1 3 368.522 0.500 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC(=O)N1CCOCC1 ZINC000505804031 490840149 /nfs/dbraw/zinc/84/01/49/490840149.db2.gz YPZOLJBWEXDNKU-QGZVFWFLSA-N 1 3 368.522 0.500 20 0 FCADHO COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516091233 490850050 /nfs/dbraw/zinc/85/00/50/490850050.db2.gz GCOLOIXNOXOKTA-ZIAGYGMSSA-N 1 3 361.446 0.533 20 0 FCADHO O=C1[C@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1C1CCCCC1 ZINC000530124315 490889692 /nfs/dbraw/zinc/88/96/92/490889692.db2.gz GFFABFHTNCXIOQ-LJQANCHMSA-N 1 3 366.550 0.900 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517059597 490893745 /nfs/dbraw/zinc/89/37/45/490893745.db2.gz WGLOTFUUSCVPOQ-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243392 490895231 /nfs/dbraw/zinc/89/52/31/490895231.db2.gz XSUBYMOWFIUEMG-FUHWJXTLSA-N 1 3 352.523 0.630 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(=O)OC)[C@@H](C)O)CC2)CC1 ZINC000517173290 490897487 /nfs/dbraw/zinc/89/74/87/490897487.db2.gz WCPLZTOITXFCFF-CZUORRHYSA-N 1 3 355.479 0.221 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000517969772 490926573 /nfs/dbraw/zinc/92/65/73/490926573.db2.gz RLBFEYCKEVUQQO-UHFFFAOYSA-N 1 3 354.882 0.908 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000518290724 490936189 /nfs/dbraw/zinc/93/61/89/490936189.db2.gz OEQOIJQAWLHAQH-HNNXBMFYSA-N 1 3 355.527 0.959 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000518290724 490936192 /nfs/dbraw/zinc/93/61/92/490936192.db2.gz OEQOIJQAWLHAQH-HNNXBMFYSA-N 1 3 355.527 0.959 20 0 FCADHO CCN1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531052841 490937632 /nfs/dbraw/zinc/93/76/32/490937632.db2.gz LESIGPLJBASIRG-HXUWFJFHSA-N 1 3 360.502 0.377 20 0 FCADHO CCN1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531052841 490937634 /nfs/dbraw/zinc/93/76/34/490937634.db2.gz LESIGPLJBASIRG-HXUWFJFHSA-N 1 3 360.502 0.377 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(Cc2cccs2)nn1 ZINC000531119070 490941676 /nfs/dbraw/zinc/94/16/76/490941676.db2.gz ZRSQGZJCCZWJHR-UHFFFAOYSA-N 1 3 350.492 0.953 20 0 FCADHO CCC1(CC)NC(=O)N(CC(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000531357845 490953546 /nfs/dbraw/zinc/95/35/46/490953546.db2.gz GCFLKGAQUSDBFL-UHFFFAOYSA-N 1 3 355.483 0.049 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000519407562 490971305 /nfs/dbraw/zinc/97/13/05/490971305.db2.gz PFCGCCZLQSXGKH-UHFFFAOYSA-N 1 3 358.450 0.416 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)C(C)C ZINC000553961865 491166993 /nfs/dbraw/zinc/16/69/93/491166993.db2.gz MWVSXFGLROZBKT-UHFFFAOYSA-N 1 3 370.538 0.839 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)C(C)C ZINC000553961865 491166995 /nfs/dbraw/zinc/16/69/95/491166995.db2.gz MWVSXFGLROZBKT-UHFFFAOYSA-N 1 3 370.538 0.839 20 0 FCADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)COC1CCOCC1 ZINC000569568174 491169154 /nfs/dbraw/zinc/16/91/54/491169154.db2.gz GLLHXLMYRMUNMC-QRQLOZEOSA-N 1 3 356.507 0.900 20 0 FCADHO O[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)COC1CCOCC1 ZINC000569568174 491169158 /nfs/dbraw/zinc/16/91/58/491169158.db2.gz GLLHXLMYRMUNMC-QRQLOZEOSA-N 1 3 356.507 0.900 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C ZINC000554029322 491170948 /nfs/dbraw/zinc/17/09/48/491170948.db2.gz GKDCGXIPDJVQFP-CVEARBPZSA-N 1 3 368.522 0.545 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000562773682 491187990 /nfs/dbraw/zinc/18/79/90/491187990.db2.gz PKXIFTSOKSIWFR-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270751 493337240 /nfs/dbraw/zinc/33/72/40/493337240.db2.gz PMAMTGCFDQDNGE-NVXWUHKLSA-N 1 3 359.474 0.529 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270751 493337242 /nfs/dbraw/zinc/33/72/42/493337242.db2.gz PMAMTGCFDQDNGE-NVXWUHKLSA-N 1 3 359.474 0.529 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000557554532 491382366 /nfs/dbraw/zinc/38/23/66/491382366.db2.gz MPDKFALJADESOM-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N(C)C1CC1 ZINC000557561599 491383221 /nfs/dbraw/zinc/38/32/21/491383221.db2.gz OHMDCVSBUPEYAC-HUUCEWRRSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565668534 491392451 /nfs/dbraw/zinc/39/24/51/491392451.db2.gz BPBCXQKIKSZAOI-BZUAXINKSA-N 1 3 351.495 0.308 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565668534 491392452 /nfs/dbraw/zinc/39/24/52/491392452.db2.gz BPBCXQKIKSZAOI-BZUAXINKSA-N 1 3 351.495 0.308 20 0 FCADHO Cc1nc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000565676404 491392926 /nfs/dbraw/zinc/39/29/26/491392926.db2.gz WRJGTFCWHUZRIY-UHFFFAOYSA-N 1 3 355.508 0.328 20 0 FCADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764343 491398328 /nfs/dbraw/zinc/39/83/28/491398328.db2.gz GEJWIGCZUOWMCB-RBUKOAKNSA-N 1 3 359.518 0.848 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000565847330 491403070 /nfs/dbraw/zinc/40/30/70/491403070.db2.gz GOJWJXJCDOXCNJ-NXHRZFHOSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000565847330 491403073 /nfs/dbraw/zinc/40/30/73/491403073.db2.gz GOJWJXJCDOXCNJ-NXHRZFHOSA-N 1 3 360.502 0.874 20 0 FCADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000566180281 491423428 /nfs/dbraw/zinc/42/34/28/491423428.db2.gz APNZADNHBNSLIO-QZTJIDSGSA-N 1 3 358.486 0.978 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000573429788 491432643 /nfs/dbraw/zinc/43/26/43/491432643.db2.gz YVXOWZMMESGZJM-MRXNPFEDSA-N 1 3 351.495 0.326 20 0 FCADHO COC[C@@]1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000573441207 491433566 /nfs/dbraw/zinc/43/35/66/491433566.db2.gz AQBYMCRZAYCXEY-HXUWFJFHSA-N 1 3 374.485 0.949 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348243 491438347 /nfs/dbraw/zinc/43/83/47/491438347.db2.gz QZPBJIYWTLKQFN-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495091 491448448 /nfs/dbraw/zinc/44/84/48/491448448.db2.gz COOIKVBYPBQRNU-AEFFLSMTSA-N 1 3 356.470 0.613 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496565 491448940 /nfs/dbraw/zinc/44/89/40/491448940.db2.gz SAUHAULPYJQSRS-FGTMMUONSA-N 1 3 356.470 0.669 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496565 491448941 /nfs/dbraw/zinc/44/89/41/491448941.db2.gz SAUHAULPYJQSRS-FGTMMUONSA-N 1 3 356.470 0.669 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512659 491450323 /nfs/dbraw/zinc/45/03/23/491450323.db2.gz NHIUZAAZISOZLG-QZTJIDSGSA-N 1 3 371.485 0.736 20 0 FCADHO C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000559264884 491459465 /nfs/dbraw/zinc/45/94/65/491459465.db2.gz HJRSTWNKMKHZKT-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000559563234 491481668 /nfs/dbraw/zinc/48/16/68/491481668.db2.gz HHZHIQGOIUYUGZ-OAHLLOKOSA-N 1 3 350.507 0.990 20 0 FCADHO CN1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262111 491484655 /nfs/dbraw/zinc/48/46/55/491484655.db2.gz GVWIHKMXCKQFHF-ROUUACIJSA-N 1 3 361.490 0.038 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567098799 491485650 /nfs/dbraw/zinc/48/56/50/491485650.db2.gz CENZNVQCFMSELR-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCCC1 ZINC000567250578 491494794 /nfs/dbraw/zinc/49/47/94/491494794.db2.gz PKGMCOFXFBMHMS-BBWFWOEESA-N 1 3 365.522 0.840 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000559746811 491495314 /nfs/dbraw/zinc/49/53/14/491495314.db2.gz FPCZROWLLVPZJL-QGZVFWFLSA-N 1 3 350.507 0.779 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000559763631 491497426 /nfs/dbraw/zinc/49/74/26/491497426.db2.gz QUOKPPUAGSKDIS-IRXDYDNUSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000559763631 491497427 /nfs/dbraw/zinc/49/74/27/491497427.db2.gz QUOKPPUAGSKDIS-IRXDYDNUSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000567480135 491508539 /nfs/dbraw/zinc/50/85/39/491508539.db2.gz BUXVTPGKJWOVQD-GASCZTMLSA-N 1 3 358.486 0.869 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000567480135 491508542 /nfs/dbraw/zinc/50/85/42/491508542.db2.gz BUXVTPGKJWOVQD-GASCZTMLSA-N 1 3 358.486 0.869 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000559905508 491509340 /nfs/dbraw/zinc/50/93/40/491509340.db2.gz VUEBJROTBZXYPL-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000559905508 491509341 /nfs/dbraw/zinc/50/93/41/491509341.db2.gz VUEBJROTBZXYPL-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000567650047 491520352 /nfs/dbraw/zinc/52/03/52/491520352.db2.gz PVZYXNPRUTYKMB-CYBMUJFWSA-N 1 3 367.494 0.463 20 0 FCADHO Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000567650048 491520550 /nfs/dbraw/zinc/52/05/50/491520550.db2.gz PVZYXNPRUTYKMB-ZDUSSCGKSA-N 1 3 367.494 0.463 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321356 491548663 /nfs/dbraw/zinc/54/86/63/491548663.db2.gz YLOQAPUNRUZXTA-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000568059266 491551269 /nfs/dbraw/zinc/55/12/69/491551269.db2.gz GAIFPZMHYZAZJW-HOTGVXAUSA-N 1 3 351.495 0.324 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000568373558 491572207 /nfs/dbraw/zinc/57/22/07/491572207.db2.gz FZMVBOXZEJVIJZ-UGUYLWEFSA-N 1 3 350.507 0.809 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000576015911 491576495 /nfs/dbraw/zinc/57/64/95/491576495.db2.gz FOMXRPGYELZSTB-BRSBDYLESA-N 1 3 362.518 0.968 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)CC1=O ZINC000673650360 493352770 /nfs/dbraw/zinc/35/27/70/493352770.db2.gz OQJIDUYEGAZRGG-IRXDYDNUSA-N 1 3 366.506 0.110 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000577085001 491588698 /nfs/dbraw/zinc/58/86/98/491588698.db2.gz QKHMMDBMPMHLGK-CABCVRRESA-N 1 3 368.547 0.660 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000660469815 493353559 /nfs/dbraw/zinc/35/35/59/493353559.db2.gz KWEKIAWDBRTCPQ-SFHVURJKSA-N 1 3 352.523 0.774 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000561355567 491600470 /nfs/dbraw/zinc/60/04/70/491600470.db2.gz DMPKMNZPDSJOEQ-INIZCTEOSA-N 1 3 366.506 0.348 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@@H]21 ZINC000576338370 491606192 /nfs/dbraw/zinc/60/61/92/491606192.db2.gz GSMTVQGVPXWHRG-OKYOBFRVSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@@H]21 ZINC000576338370 491606196 /nfs/dbraw/zinc/60/61/96/491606196.db2.gz GSMTVQGVPXWHRG-OKYOBFRVSA-N 1 3 370.497 0.882 20 0 FCADHO CCN1CCN(C(=O)CC2CCN(CCN3CC[NH2+]CC3)CC2)CC1 ZINC000576469585 491617609 /nfs/dbraw/zinc/61/76/09/491617609.db2.gz QCNGMJJAHPXZBG-UHFFFAOYSA-N 1 3 351.539 0.158 20 0 FCADHO Cn1ccnc1[C@@H]1CCN(C[C@@H](O)C[N@@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000576476428 491618228 /nfs/dbraw/zinc/61/82/28/491618228.db2.gz ZUELMTZHENDXNT-BJWYYQGGSA-N 1 3 358.490 0.793 20 0 FCADHO Cn1ccnc1[C@@H]1CCN(C[C@@H](O)C[N@H+]2CC[C@H](c3nccn3C)C2)C1 ZINC000576476428 491618231 /nfs/dbraw/zinc/61/82/31/491618231.db2.gz ZUELMTZHENDXNT-BJWYYQGGSA-N 1 3 358.490 0.793 20 0 FCADHO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)CN2CC[C@H](c3nccn3C)C2)C1 ZINC000576476428 491618233 /nfs/dbraw/zinc/61/82/33/491618233.db2.gz ZUELMTZHENDXNT-BJWYYQGGSA-N 1 3 358.490 0.793 20 0 FCADHO Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)CN2CC[C@H](c3nccn3C)C2)C1 ZINC000576476428 491618236 /nfs/dbraw/zinc/61/82/36/491618236.db2.gz ZUELMTZHENDXNT-BJWYYQGGSA-N 1 3 358.490 0.793 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN4CCOC[C@H]4C3)CC2)CC1 ZINC000577413109 491620446 /nfs/dbraw/zinc/62/04/46/491620446.db2.gz QRPMMJNCPMOYOT-LJQANCHMSA-N 1 3 364.534 0.726 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000569002301 491625912 /nfs/dbraw/zinc/62/59/12/491625912.db2.gz ASJHJHOKMIZYGD-VGWMRTNUSA-N 1 3 368.522 0.576 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1=CCN(C)CC1 ZINC000577554956 491632091 /nfs/dbraw/zinc/63/20/91/491632091.db2.gz NSMQUCCHWVKXKV-HOTGVXAUSA-N 1 3 366.506 0.370 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1=CCN(C)CC1 ZINC000577554956 491632093 /nfs/dbraw/zinc/63/20/93/491632093.db2.gz NSMQUCCHWVKXKV-HOTGVXAUSA-N 1 3 366.506 0.370 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001720 491646877 /nfs/dbraw/zinc/64/68/77/491646877.db2.gz OOSDDZPSSASEEV-HUUCEWRRSA-N 1 3 350.463 0.769 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001720 491646879 /nfs/dbraw/zinc/64/68/79/491646879.db2.gz OOSDDZPSSASEEV-HUUCEWRRSA-N 1 3 350.463 0.769 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000562103133 491653006 /nfs/dbraw/zinc/65/30/06/491653006.db2.gz JBGPNDVKPYVOCO-WIYYLYMNSA-N 1 3 374.529 0.766 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)CC1 ZINC000576957110 491660636 /nfs/dbraw/zinc/66/06/36/491660636.db2.gz KDBXFNLRPQYWFY-INIZCTEOSA-N 1 3 364.490 0.446 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000578095639 491669863 /nfs/dbraw/zinc/66/98/63/491669863.db2.gz YAMIZPNQHXKQHX-SJORKVTESA-N 1 3 366.506 0.035 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251754 491673405 /nfs/dbraw/zinc/67/34/05/491673405.db2.gz ODUYYNJZTRMZRL-HOTGVXAUSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251754 491673406 /nfs/dbraw/zinc/67/34/06/491673406.db2.gz ODUYYNJZTRMZRL-HOTGVXAUSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313964 491674423 /nfs/dbraw/zinc/67/44/23/491674423.db2.gz GXTHYDAFZRFJAI-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313964 491674424 /nfs/dbraw/zinc/67/44/24/491674424.db2.gz GXTHYDAFZRFJAI-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000578692788 491682448 /nfs/dbraw/zinc/68/24/48/491682448.db2.gz GRHNFAJXQWMJKC-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000579091396 491690690 /nfs/dbraw/zinc/69/06/90/491690690.db2.gz SPJBEEQHVFFSMG-OALUTQOASA-N 1 3 374.533 0.981 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000579260372 491694347 /nfs/dbraw/zinc/69/43/47/491694347.db2.gz RDUADCNEFIUJNT-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO CS[C@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579391860 491697138 /nfs/dbraw/zinc/69/71/38/491697138.db2.gz IDPSKMJEBMDFLJ-CABCVRRESA-N 1 3 358.552 0.729 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461753 491698201 /nfs/dbraw/zinc/69/82/01/491698201.db2.gz PIFKOKIQLTUMIK-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000579622551 491701860 /nfs/dbraw/zinc/70/18/60/491701860.db2.gz UHWVOEZGLDSMTB-GOSISDBHSA-N 1 3 368.547 0.531 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000579822495 491705986 /nfs/dbraw/zinc/70/59/86/491705986.db2.gz WHEFFQVPKIIPLP-KSZLIROESA-N 1 3 362.518 0.921 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](CC)O1 ZINC000579944052 491710309 /nfs/dbraw/zinc/71/03/09/491710309.db2.gz MICXEMDRQIMVIV-IYBDPMFKSA-N 1 3 356.511 0.354 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000580543531 491735258 /nfs/dbraw/zinc/73/52/58/491735258.db2.gz GXHPLEPRDIFJLX-BDUQCRIQSA-N 1 3 369.550 0.814 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000580543531 491735259 /nfs/dbraw/zinc/73/52/59/491735259.db2.gz GXHPLEPRDIFJLX-BDUQCRIQSA-N 1 3 369.550 0.814 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000580710249 491742440 /nfs/dbraw/zinc/74/24/40/491742440.db2.gz XLHNCTOXXBKVOK-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000580889706 491750371 /nfs/dbraw/zinc/75/03/71/491750371.db2.gz BIRLTTDFJIWCHZ-MRXNPFEDSA-N 1 3 362.474 0.502 20 0 FCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000581067259 491757808 /nfs/dbraw/zinc/75/78/08/491757808.db2.gz FRJHXKTUZWJSPV-SJORKVTESA-N 1 3 362.518 0.920 20 0 FCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000581067258 491757928 /nfs/dbraw/zinc/75/79/28/491757928.db2.gz FRJHXKTUZWJSPV-IRXDYDNUSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000581407312 491771474 /nfs/dbraw/zinc/77/14/74/491771474.db2.gz RWYRIOVFKDTPFX-UHFFFAOYSA-N 1 3 360.466 0.834 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476475 491814144 /nfs/dbraw/zinc/81/41/44/491814144.db2.gz ZHQRWHRQINAUFX-PBHICJAKSA-N 1 3 356.536 0.821 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000582664109 491821596 /nfs/dbraw/zinc/82/15/96/491821596.db2.gz ZTPWAJQLLBIXPR-INIZCTEOSA-N 1 3 350.438 0.584 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142733 491838815 /nfs/dbraw/zinc/83/88/15/491838815.db2.gz IXHGPKVMRCPRDQ-HKUYNNGSSA-N 1 3 354.458 0.832 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467618 491845549 /nfs/dbraw/zinc/84/55/49/491845549.db2.gz JLLVJOMCZZQANO-RDJZCZTQSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467618 491845550 /nfs/dbraw/zinc/84/55/50/491845550.db2.gz JLLVJOMCZZQANO-RDJZCZTQSA-N 1 3 362.518 0.943 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000583476977 491845634 /nfs/dbraw/zinc/84/56/34/491845634.db2.gz BOWSNCOXVHGYLV-CVEARBPZSA-N 1 3 368.522 0.489 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC(N)=O)CC3)CC2)CC1 ZINC000583509484 491846559 /nfs/dbraw/zinc/84/65/59/491846559.db2.gz OOZPTEKWZCLUGD-UHFFFAOYSA-N 1 3 350.507 0.955 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079037 491858040 /nfs/dbraw/zinc/85/80/40/491858040.db2.gz KYEPDXOWUHIFCU-KCYZZUKISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079037 491858041 /nfs/dbraw/zinc/85/80/41/491858041.db2.gz KYEPDXOWUHIFCU-KCYZZUKISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000584172769 491860018 /nfs/dbraw/zinc/86/00/18/491860018.db2.gz DLXPXVNUOHOQBK-KBPBESRZSA-N 1 3 352.454 0.958 20 0 FCADHO COC(=O)c1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000601023491 491893421 /nfs/dbraw/zinc/89/34/21/491893421.db2.gz BAJKYQHKDDFHBJ-UHFFFAOYSA-N 1 3 363.462 0.495 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000601369156 491909771 /nfs/dbraw/zinc/90/97/71/491909771.db2.gz CGOZEKZGASJBFP-SFHVURJKSA-N 1 3 372.579 0.902 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612599189 491938006 /nfs/dbraw/zinc/93/80/06/491938006.db2.gz QRGZDZDRQIPJOE-QGZVFWFLSA-N 1 3 366.506 0.299 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612603757 491938546 /nfs/dbraw/zinc/93/85/46/491938546.db2.gz LLGLKADVQMRTQU-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612603757 491938548 /nfs/dbraw/zinc/93/85/48/491938548.db2.gz LLGLKADVQMRTQU-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612913758 491958651 /nfs/dbraw/zinc/95/86/51/491958651.db2.gz DJVROHGEHVABEQ-LSDHHAIUSA-N 1 3 361.494 0.460 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000597226096 492023561 /nfs/dbraw/zinc/02/35/61/492023561.db2.gz QZZDPMPIOPIMCD-IRXDYDNUSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000597226096 492023562 /nfs/dbraw/zinc/02/35/62/492023562.db2.gz QZZDPMPIOPIMCD-IRXDYDNUSA-N 1 3 365.522 0.855 20 0 FCADHO C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665587 492126126 /nfs/dbraw/zinc/12/61/26/492126126.db2.gz HOKCZPMVXGAOSK-WBVHZDCISA-N 1 3 367.538 0.959 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)CN1CCN(C)CC1 ZINC000608708515 492189100 /nfs/dbraw/zinc/18/91/00/492189100.db2.gz MYBZCCYIOHQMFW-KRWDZBQOSA-N 1 3 360.506 0.797 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCC(=O)OC)CC2)CC1 ZINC000600396238 492266560 /nfs/dbraw/zinc/26/65/60/492266560.db2.gz IVFLNASZZXZRQU-UHFFFAOYSA-N 1 3 355.479 0.489 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627428668 492292377 /nfs/dbraw/zinc/29/23/77/492292377.db2.gz LKFCOTDINPSOGP-AGIUHOORSA-N 1 3 364.412 0.573 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000647495031 492298344 /nfs/dbraw/zinc/29/83/44/492298344.db2.gz LECDUXMZNOGOCG-NWDGAFQWSA-N 1 3 354.426 0.947 20 0 FCADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627504761 492325467 /nfs/dbraw/zinc/32/54/67/492325467.db2.gz FKGSOHFPCHWHDM-JQHSSLGASA-N 1 3 358.486 0.976 20 0 FCADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000647597329 492331800 /nfs/dbraw/zinc/33/18/00/492331800.db2.gz DPNPAANIDGELII-CVEARBPZSA-N 1 3 367.538 0.245 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000642094869 492333777 /nfs/dbraw/zinc/33/37/77/492333777.db2.gz IJNBANWHPZVJLA-FGTMMUONSA-N 1 3 360.502 0.861 20 0 FCADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642253874 492345500 /nfs/dbraw/zinc/34/55/00/492345500.db2.gz ODYHQMFZULPSSK-GBESFXJTSA-N 1 3 370.497 0.693 20 0 FCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000647703066 492346787 /nfs/dbraw/zinc/34/67/87/492346787.db2.gz KYELYULLSQLJRP-LBPRGKRZSA-N 1 3 362.402 0.107 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642330579 492352015 /nfs/dbraw/zinc/35/20/15/492352015.db2.gz XMEWSCHSTRGIKX-NNXHMXCWSA-N 1 3 350.507 0.679 20 0 FCADHO CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793348 492362781 /nfs/dbraw/zinc/36/27/81/492362781.db2.gz USBHJARTNUUKBZ-DJIMGWMZSA-N 1 3 367.515 0.777 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654945763 492382454 /nfs/dbraw/zinc/38/24/54/492382454.db2.gz DRDVNGVPEHBARI-CVEARBPZSA-N 1 3 362.478 0.516 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000654947964 492384112 /nfs/dbraw/zinc/38/41/12/492384112.db2.gz XDHIXLRJUIBUCS-HUUCEWRRSA-N 1 3 362.478 0.516 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975582 492389679 /nfs/dbraw/zinc/38/96/79/492389679.db2.gz CEBPFFZVDNMOCR-VQHPVUNQSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978726 492390437 /nfs/dbraw/zinc/39/04/37/492390437.db2.gz XIFNJKOSJCWTFE-MSOLQXFVSA-N 1 3 372.517 0.837 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC000642789439 492392605 /nfs/dbraw/zinc/39/26/05/492392605.db2.gz GTFKXQORNHMPFD-JKSUJKDBSA-N 1 3 350.507 0.955 20 0 FCADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)C1 ZINC000642889229 492397572 /nfs/dbraw/zinc/39/75/72/492397572.db2.gz DDOURNSGZDWVSF-INIZCTEOSA-N 1 3 365.522 0.003 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642902132 492399392 /nfs/dbraw/zinc/39/93/92/492399392.db2.gz KZJHWCGHWSGCIE-MRXNPFEDSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905408 492400438 /nfs/dbraw/zinc/40/04/38/492400438.db2.gz LXMDVXZLVWKWRT-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919762 492403691 /nfs/dbraw/zinc/40/36/91/492403691.db2.gz FXNDISZUGPBDJV-UHFFFAOYSA-N 1 3 350.438 0.584 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCNCC1 ZINC000648143671 492407250 /nfs/dbraw/zinc/40/72/50/492407250.db2.gz XONRHLWSIUXJGI-HUUCEWRRSA-N 1 3 357.520 0.391 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982003 492410451 /nfs/dbraw/zinc/41/04/51/492410451.db2.gz NKBKWTWQFBSIOA-CQSZACIVSA-N 1 3 352.504 0.897 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000643007700 492413285 /nfs/dbraw/zinc/41/32/85/492413285.db2.gz XSLLWAZJXNNZGS-RCCFBDPRSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N(C)Cc1ccccc1 ZINC000621839503 492422183 /nfs/dbraw/zinc/42/21/83/492422183.db2.gz UHTUNBNNRMMVBM-MDYRTPRTSA-N 1 3 358.486 0.963 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839151 492422244 /nfs/dbraw/zinc/42/22/44/492422244.db2.gz OMYRUIIECNBOPH-DNVCBOLYSA-N 1 3 366.506 0.332 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028275 492443422 /nfs/dbraw/zinc/44/34/22/492443422.db2.gz OUUMWVWMIIBMTI-MAUKXSAKSA-N 1 3 354.495 0.143 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655447841 492444169 /nfs/dbraw/zinc/44/41/69/492444169.db2.gz HBMZGKGGQPTARZ-XLIONFOSSA-N 1 3 358.486 0.984 20 0 FCADHO CN1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512571 492463137 /nfs/dbraw/zinc/46/31/37/492463137.db2.gz OAHIQUKEALONEW-MSOLQXFVSA-N 1 3 350.507 0.478 20 0 FCADHO CN1CCN(C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512571 492463141 /nfs/dbraw/zinc/46/31/41/492463141.db2.gz OAHIQUKEALONEW-MSOLQXFVSA-N 1 3 350.507 0.478 20 0 FCADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643453487 492466512 /nfs/dbraw/zinc/46/65/12/492466512.db2.gz HCQVIMGKBOTXMA-GVDBMIGSSA-N 1 3 358.552 0.464 20 0 FCADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000643478800 492475203 /nfs/dbraw/zinc/47/52/03/492475203.db2.gz GROLVCGIVMUFNL-QGZVFWFLSA-N 1 3 371.485 0.578 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643489775 492479693 /nfs/dbraw/zinc/47/96/93/492479693.db2.gz LDEYEXAXCFJALZ-INIZCTEOSA-N 1 3 350.507 0.779 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643490259 492479821 /nfs/dbraw/zinc/47/98/21/492479821.db2.gz IYZQEXLHRCDJDN-CVEARBPZSA-N 1 3 356.511 0.387 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000643500337 492482923 /nfs/dbraw/zinc/48/29/23/492482923.db2.gz FUAGZHXXKFQQBM-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000643503515 492483844 /nfs/dbraw/zinc/48/38/44/492483844.db2.gz LNUYVVJIFPJITO-HOCLYGCPSA-N 1 3 352.479 0.038 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504144 492483974 /nfs/dbraw/zinc/48/39/74/492483974.db2.gz FTXNCJLXODNBOC-KSZLIROESA-N 1 3 362.518 0.921 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000643531880 492492399 /nfs/dbraw/zinc/49/23/99/492492399.db2.gz RFVJRLFMBOEXJA-PXNSSMCTSA-N 1 3 358.486 0.917 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022773 492520674 /nfs/dbraw/zinc/52/06/74/492520674.db2.gz LVOQNTMOKWNGEL-GBJTYRQASA-N 1 3 352.479 0.349 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022773 492520676 /nfs/dbraw/zinc/52/06/76/492520676.db2.gz LVOQNTMOKWNGEL-GBJTYRQASA-N 1 3 352.479 0.349 20 0 FCADHO Cc1cnc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000656069422 492530689 /nfs/dbraw/zinc/53/06/89/492530689.db2.gz BGXWSUHBWVPPAI-UHFFFAOYSA-N 1 3 363.506 0.309 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649328356 492535390 /nfs/dbraw/zinc/53/53/90/492535390.db2.gz RFCOHPOGPNRJQV-KURKYZTESA-N 1 3 356.470 0.879 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649350473 492543537 /nfs/dbraw/zinc/54/35/37/492543537.db2.gz FUBHRHWMOYYFBC-LJQANCHMSA-N 1 3 360.502 0.676 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649350472 492544034 /nfs/dbraw/zinc/54/40/34/492544034.db2.gz FUBHRHWMOYYFBC-IBGZPJMESA-N 1 3 360.502 0.676 20 0 FCADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000649352131 492545737 /nfs/dbraw/zinc/54/57/37/492545737.db2.gz UIWNFYFAGYHXLP-XSYGEPLQSA-N 1 3 369.513 0.908 20 0 FCADHO COC[C@H]1C[C@@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649763998 492581488 /nfs/dbraw/zinc/58/14/88/492581488.db2.gz NINZTOWVKVEDDS-UAFMIMERSA-N 1 3 364.486 0.850 20 0 FCADHO COC[C@H]1C[C@@H](O)CN1Cc1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649763998 492581490 /nfs/dbraw/zinc/58/14/90/492581490.db2.gz NINZTOWVKVEDDS-UAFMIMERSA-N 1 3 364.486 0.850 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000656308165 492582181 /nfs/dbraw/zinc/58/21/81/492582181.db2.gz YNGQIGUAEZGKKD-UAGQMJEPSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656353974 492609113 /nfs/dbraw/zinc/60/91/13/492609113.db2.gz ADUFPUJHPWUVBU-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1C[NH+](CCOc2ccc(CCNc3nc(N)nc(N)n3)cc2)C[C@@H]1C ZINC000624085385 492619335 /nfs/dbraw/zinc/61/93/35/492619335.db2.gz QXYFCSSZFRYBBB-KBPBESRZSA-N 1 3 371.489 0.740 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CCOCC[NH3+])CC1 ZINC000629578159 492654819 /nfs/dbraw/zinc/65/48/19/492654819.db2.gz NFNBILCZRKTJFN-UHFFFAOYSA-N 1 3 362.518 0.936 20 0 FCADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000629792667 492673524 /nfs/dbraw/zinc/67/35/24/492673524.db2.gz XGUMHYVCLOYZCT-UHFFFAOYSA-N 1 3 368.522 0.535 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629801992 492679869 /nfs/dbraw/zinc/67/98/69/492679869.db2.gz QKRRZGZRWUHIKE-QWHCGFSZSA-N 1 3 366.428 0.771 20 0 FCADHO C[NH+]1CCC(n2cc(NC(=O)NC3CCN(CCO)CC3)cn2)CC1 ZINC000636761776 492684880 /nfs/dbraw/zinc/68/48/80/492684880.db2.gz LAFKFQOETNDDBJ-UHFFFAOYSA-N 1 3 350.467 0.728 20 0 FCADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000636960854 492738147 /nfs/dbraw/zinc/73/81/47/492738147.db2.gz NLSBLPDEHPVIKE-YJBOKZPZSA-N 1 3 361.490 0.973 20 0 FCADHO O=C(NCCN1CC[C@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000637036511 492755747 /nfs/dbraw/zinc/75/57/47/492755747.db2.gz LCHQRXWFYMUMLG-ZWKOTPCHSA-N 1 3 362.474 0.119 20 0 FCADHO O=C(NCCN1CC[C@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000637036511 492755751 /nfs/dbraw/zinc/75/57/51/492755751.db2.gz LCHQRXWFYMUMLG-ZWKOTPCHSA-N 1 3 362.474 0.119 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)CC1 ZINC000644446524 492757018 /nfs/dbraw/zinc/75/70/18/492757018.db2.gz COUZMJAZEIGEAT-KURKYZTESA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000644648633 492795666 /nfs/dbraw/zinc/79/56/66/492795666.db2.gz UKSRJSMNEFWVCQ-JZXOWHBKSA-N 1 3 366.506 0.582 20 0 FCADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631076950 492797458 /nfs/dbraw/zinc/79/74/58/492797458.db2.gz AWUVEOAJWSQWJR-UHFFFAOYSA-N 1 3 363.502 0.944 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000657870161 492806906 /nfs/dbraw/zinc/80/69/06/492806906.db2.gz FNVPGVSCWGBOGO-UHFFFAOYSA-N 1 3 359.474 0.719 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657874203 492807550 /nfs/dbraw/zinc/80/75/50/492807550.db2.gz QVQVRUJKGPUMBF-UHFFFAOYSA-N 1 3 359.474 0.530 20 0 FCADHO CN(CCN(C)S(=O)(=O)CCCN1CCCC1)C1CC[NH+](C)CC1 ZINC000631773788 492850049 /nfs/dbraw/zinc/85/00/49/492850049.db2.gz SAJCYOMFUUOGFI-UHFFFAOYSA-N 1 3 360.568 0.760 20 0 FCADHO c1nc2n(n1)[C@@H](CN1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830216 492858622 /nfs/dbraw/zinc/85/86/22/492858622.db2.gz MMHNHONSLNUFTE-HUUCEWRRSA-N 1 3 356.478 0.778 20 0 FCADHO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631901307 492873594 /nfs/dbraw/zinc/87/35/94/492873594.db2.gz YJHQMJDNOFFTJS-INIZCTEOSA-N 1 3 370.519 0.252 20 0 FCADHO CN(C)CCOc1ccccc1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631918002 492883662 /nfs/dbraw/zinc/88/36/62/492883662.db2.gz ZQXBMLWLDIYEDX-UHFFFAOYSA-N 1 3 370.519 0.645 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652130906 492884648 /nfs/dbraw/zinc/88/46/48/492884648.db2.gz FHKZAIAXNVVLOC-YESZJQIVSA-N 1 3 356.511 0.883 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652130903 492885075 /nfs/dbraw/zinc/88/50/75/492885075.db2.gz FHKZAIAXNVVLOC-BBWFWOEESA-N 1 3 356.511 0.883 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278349 492888160 /nfs/dbraw/zinc/88/81/60/492888160.db2.gz DTDCHMZIVBDKGW-INIZCTEOSA-N 1 3 354.495 0.603 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000631928157 492889478 /nfs/dbraw/zinc/88/94/78/492889478.db2.gz ROIUNSKSPGSYOH-YOEHRIQHSA-N 1 3 356.536 0.864 20 0 FCADHO CCCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000645305422 492890414 /nfs/dbraw/zinc/89/04/14/492890414.db2.gz RMDIQUGTMFBNCW-JKSUJKDBSA-N 1 3 353.511 0.700 20 0 FCADHO CCCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000645305422 492890418 /nfs/dbraw/zinc/89/04/18/492890418.db2.gz RMDIQUGTMFBNCW-JKSUJKDBSA-N 1 3 353.511 0.700 20 0 FCADHO CN(CCN1CCCCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000652218695 492895962 /nfs/dbraw/zinc/89/59/62/492895962.db2.gz WWQAPDXXPVEWKA-CQSZACIVSA-N 1 3 365.444 0.950 20 0 FCADHO CN1CCC2(CC1)CN(C(=O)NCCN1CCC([NH+](C)C)CC1)CCO2 ZINC000645393344 492902275 /nfs/dbraw/zinc/90/22/75/492902275.db2.gz QDPVMFYGGCQLFS-UHFFFAOYSA-N 1 3 367.538 0.519 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638116188 492909547 /nfs/dbraw/zinc/90/95/47/492909547.db2.gz HRBHIXKZDUNYMX-VQIMIIECSA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638116188 492909553 /nfs/dbraw/zinc/90/95/53/492909553.db2.gz HRBHIXKZDUNYMX-VQIMIIECSA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116188 492909557 /nfs/dbraw/zinc/90/95/57/492909557.db2.gz HRBHIXKZDUNYMX-VQIMIIECSA-N 1 3 360.502 0.850 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645472881 492911782 /nfs/dbraw/zinc/91/17/82/492911782.db2.gz PZUPFHPUKMDYLM-SFHVURJKSA-N 1 3 358.486 0.898 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652347677 492913291 /nfs/dbraw/zinc/91/32/91/492913291.db2.gz JHGMVRDZTNKOSJ-OWLYRPNTSA-N 1 3 366.506 0.284 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137402 492915655 /nfs/dbraw/zinc/91/56/55/492915655.db2.gz UPRPLFVHWAMVOI-UHFFFAOYSA-N 1 3 359.518 0.346 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000638343424 492937932 /nfs/dbraw/zinc/93/79/32/492937932.db2.gz SRCWIMCVMMQLLM-KRWDZBQOSA-N 1 3 354.458 0.789 20 0 FCADHO C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000632160824 492940845 /nfs/dbraw/zinc/94/08/45/492940845.db2.gz LEQLKBPHDPKQGX-ZWKOTPCHSA-N 1 3 372.579 0.760 20 0 FCADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638553358 492960179 /nfs/dbraw/zinc/96/01/79/492960179.db2.gz BAURTWPQFMUFCW-HNNXBMFYSA-N 1 3 354.520 0.697 20 0 FCADHO CC(C)(O)CN1CCC([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000638596463 492963940 /nfs/dbraw/zinc/96/39/40/492963940.db2.gz KVISRJCJXIAPDH-GOSISDBHSA-N 1 3 354.539 0.218 20 0 FCADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000638596463 492963943 /nfs/dbraw/zinc/96/39/43/492963943.db2.gz KVISRJCJXIAPDH-GOSISDBHSA-N 1 3 354.539 0.218 20 0 FCADHO CCCN(C(=O)C(=O)Nc1cnn(CCN(C)C)c1)C1CC[NH2+]CC1 ZINC000652622377 492972073 /nfs/dbraw/zinc/97/20/73/492972073.db2.gz IKVJCJHXLIVDSK-UHFFFAOYSA-N 1 3 350.467 0.374 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652692177 492992137 /nfs/dbraw/zinc/99/21/37/492992137.db2.gz LDNAZTLMDFMTDH-XHSDSOJGSA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC000639103509 492996760 /nfs/dbraw/zinc/99/67/60/492996760.db2.gz PKRDJBNBRNAPFD-UHFFFAOYSA-N 1 3 370.515 0.778 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652728834 493006690 /nfs/dbraw/zinc/00/66/90/493006690.db2.gz CNMFAEVLPBYYHN-NXOAAHMSSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000658706908 493018931 /nfs/dbraw/zinc/01/89/31/493018931.db2.gz IQIJQTYAJQEWMB-HNNXBMFYSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)C[C@@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000646209282 493027297 /nfs/dbraw/zinc/02/72/97/493027297.db2.gz DJGLJLUJYWQHAM-INIZCTEOSA-N 1 3 359.474 0.764 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000646214254 493028792 /nfs/dbraw/zinc/02/87/92/493028792.db2.gz PVUSLPAGGKLEKX-UXLLHSPISA-N 1 3 363.506 0.701 20 0 FCADHO COC[C@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]C1 ZINC000646432994 493048382 /nfs/dbraw/zinc/04/83/82/493048382.db2.gz AHKNCUMRNSBOGM-IBGZPJMESA-N 1 3 362.474 0.220 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646428265 493048523 /nfs/dbraw/zinc/04/85/23/493048523.db2.gz MBXKBDDYRGOQLW-CABCVRRESA-N 1 3 350.467 0.213 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000626923640 493063735 /nfs/dbraw/zinc/06/37/35/493063735.db2.gz YDXVSCZDFIULAD-AEFFLSMTSA-N 1 3 369.473 0.886 20 0 FCADHO CCN1CCN(CCC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653260799 493087546 /nfs/dbraw/zinc/08/75/46/493087546.db2.gz LGPRJRXKBVZYCK-KZNAEPCWSA-N 1 3 352.523 0.901 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633097810 493124099 /nfs/dbraw/zinc/12/40/99/493124099.db2.gz TVJYVKIUPJFLCL-FGTMMUONSA-N 1 3 356.470 0.682 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000640751062 493128197 /nfs/dbraw/zinc/12/81/97/493128197.db2.gz RFRHYVNVENWDSA-LBPRGKRZSA-N 1 3 356.496 1.347 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311960 493147054 /nfs/dbraw/zinc/14/70/54/493147054.db2.gz LOZHBSMYMYZSGR-STNJDDFNSA-N 1 3 364.534 0.927 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091755 493161349 /nfs/dbraw/zinc/16/13/49/493161349.db2.gz HKOIBAAYYZEUQQ-BZSNNMDCSA-N 1 3 371.485 0.303 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091757 493161444 /nfs/dbraw/zinc/16/14/44/493161444.db2.gz HKOIBAAYYZEUQQ-OKZBNKHCSA-N 1 3 371.485 0.303 20 0 FCADHO N[C@H](CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091848 493162118 /nfs/dbraw/zinc/16/21/18/493162118.db2.gz QQNSUKSMLCEBGU-KZNAEPCWSA-N 1 3 371.485 0.823 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000659318439 493190253 /nfs/dbraw/zinc/19/02/53/493190253.db2.gz CIAAEKAWJNUVMQ-YZLZLFLDSA-N 1 3 362.518 0.609 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000659581675 493216144 /nfs/dbraw/zinc/21/61/44/493216144.db2.gz RBOPWSXULUOPAN-MZMPZRCHSA-N 1 3 368.428 0.776 20 0 FCADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659611980 493221144 /nfs/dbraw/zinc/22/11/44/493221144.db2.gz UVMIHAGXESCJQO-IXDOHACOSA-N 1 3 365.522 0.761 20 0 FCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000666796330 493228155 /nfs/dbraw/zinc/22/81/55/493228155.db2.gz WSKUJJXBTNBDLF-KRWDZBQOSA-N 1 3 373.501 0.583 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000672700072 493236297 /nfs/dbraw/zinc/23/62/97/493236297.db2.gz YMYHOKLWABXOTK-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000672700072 493236299 /nfs/dbraw/zinc/23/62/99/493236299.db2.gz YMYHOKLWABXOTK-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCC1 ZINC000659695323 493257649 /nfs/dbraw/zinc/25/76/49/493257649.db2.gz YMXYNAFXLKNDSW-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659703504 493263495 /nfs/dbraw/zinc/26/34/95/493263495.db2.gz BKPQBJWXJBKBDN-UHFFFAOYSA-N 1 3 364.490 0.481 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709419 493265978 /nfs/dbraw/zinc/26/59/78/493265978.db2.gz ILMMBXIUKQVLSE-SFHVURJKSA-N 1 3 358.486 0.630 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659719962 493271367 /nfs/dbraw/zinc/27/13/67/493271367.db2.gz ZFUSATFXCNNLJP-KRWDZBQOSA-N 1 3 361.490 0.509 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[NH2+]C3CC3)c2)CC1 ZINC000667294250 493273455 /nfs/dbraw/zinc/27/34/55/493273455.db2.gz BFUMCMKYIHTFHZ-UHFFFAOYSA-N 1 3 359.474 0.635 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659735875 493278836 /nfs/dbraw/zinc/27/88/36/493278836.db2.gz KIWPKNLHLOMDJF-OAGGEKHMSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659738027 493280000 /nfs/dbraw/zinc/28/00/00/493280000.db2.gz YARHFAGVVKMMAY-DZKIICNBSA-N 1 3 352.479 0.084 20 0 FCADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659739708 493280491 /nfs/dbraw/zinc/28/04/91/493280491.db2.gz YJRFNZGEHAIZEM-SFHVURJKSA-N 1 3 374.485 0.343 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000673026128 493281810 /nfs/dbraw/zinc/28/18/10/493281810.db2.gz SGDOGRVCZMJBFJ-QGZVFWFLSA-N 1 3 374.529 0.860 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000659751656 493285943 /nfs/dbraw/zinc/28/59/43/493285943.db2.gz IGRPNKWNGPATQV-HNNXBMFYSA-N 1 3 361.490 0.271 20 0 FCADHO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000667557849 493289709 /nfs/dbraw/zinc/28/97/09/493289709.db2.gz KQVDEMVXIRPSDD-CQSZACIVSA-N 1 3 359.474 0.621 20 0 FCADHO C[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000667557848 493289748 /nfs/dbraw/zinc/28/97/48/493289748.db2.gz KQVDEMVXIRPSDD-AWEZNQCLSA-N 1 3 359.474 0.621 20 0 FCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673427940 493327535 /nfs/dbraw/zinc/32/75/35/493327535.db2.gz SMRWLVDZNGHARL-BBWFWOEESA-N 1 3 368.522 0.402 20 0 FCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673427940 493327536 /nfs/dbraw/zinc/32/75/36/493327536.db2.gz SMRWLVDZNGHARL-BBWFWOEESA-N 1 3 368.522 0.402 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000673465159 493331651 /nfs/dbraw/zinc/33/16/51/493331651.db2.gz PNIWEDFPEKMMIQ-CVEARBPZSA-N 1 3 370.538 0.648 20 0 FCADHO CCCN1CC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660624865 493367719 /nfs/dbraw/zinc/36/77/19/493367719.db2.gz IQUAITBAIWVIEK-MRXNPFEDSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982736 493379362 /nfs/dbraw/zinc/37/93/62/493379362.db2.gz NKFKNXDOTXCHEP-WMZOPIPTSA-N 1 3 369.579 0.845 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982736 493379365 /nfs/dbraw/zinc/37/93/65/493379365.db2.gz NKFKNXDOTXCHEP-WMZOPIPTSA-N 1 3 369.579 0.845 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668624933 493386160 /nfs/dbraw/zinc/38/61/60/493386160.db2.gz CXZUQGZGYWKPML-ZBFHGGJFSA-N 1 3 354.495 0.202 20 0 FCADHO O=C1CC[C@@H]2CN(C/C=C\C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595787 493450304 /nfs/dbraw/zinc/45/03/04/493450304.db2.gz DYIFSUMIIDYSHG-YCIJERRISA-N 1 3 360.502 0.744 20 0 FCADHO O=C1CC[C@@H]2CN(C/C=C\C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595787 493450306 /nfs/dbraw/zinc/45/03/06/493450306.db2.gz DYIFSUMIIDYSHG-YCIJERRISA-N 1 3 360.502 0.744 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661951288 493478666 /nfs/dbraw/zinc/47/86/66/493478666.db2.gz KXMASLIQOWNFEU-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661951288 493478669 /nfs/dbraw/zinc/47/86/69/493478669.db2.gz KXMASLIQOWNFEU-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000669273729 493487532 /nfs/dbraw/zinc/48/75/32/493487532.db2.gz GGFBLZWTRBGNCQ-YESZJQIVSA-N 1 3 366.506 0.081 20 0 FCADHO CC(C)N1CCO[C@@H](CN2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264082 493501677 /nfs/dbraw/zinc/50/16/77/493501677.db2.gz PSKJPYQBYFEGRJ-ROUUACIJSA-N 1 3 352.523 0.234 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCN(CC2CC2)C1 ZINC000669491439 493507213 /nfs/dbraw/zinc/50/72/13/493507213.db2.gz ZDKBKDBBOHKIIQ-UONOGXRCSA-N 1 3 363.428 0.606 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000669594269 493513247 /nfs/dbraw/zinc/51/32/47/493513247.db2.gz RYTNIMWEMISAIN-UHFFFAOYSA-N 1 3 368.570 0.338 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000669594269 493513249 /nfs/dbraw/zinc/51/32/49/493513249.db2.gz RYTNIMWEMISAIN-UHFFFAOYSA-N 1 3 368.570 0.338 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662682562 493531634 /nfs/dbraw/zinc/53/16/34/493531634.db2.gz JOEGLNKIIYCGIA-IRXDYDNUSA-N 1 3 360.458 0.686 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712084 493533667 /nfs/dbraw/zinc/53/36/67/493533667.db2.gz PXJZREPUYLUPND-DOMZBBRYSA-N 1 3 364.412 0.587 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712100 493533923 /nfs/dbraw/zinc/53/39/23/493533923.db2.gz PXJZREPUYLUPND-WFASDCNBSA-N 1 3 364.412 0.587 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662871619 493548775 /nfs/dbraw/zinc/54/87/75/493548775.db2.gz ATMBOQPJHUTOBB-HKUYNNGSSA-N 1 3 360.502 0.861 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662871619 493548776 /nfs/dbraw/zinc/54/87/76/493548776.db2.gz ATMBOQPJHUTOBB-HKUYNNGSSA-N 1 3 360.502 0.861 20 0 FCADHO O=C(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000662931026 493555869 /nfs/dbraw/zinc/55/58/69/493555869.db2.gz ZFOXGXHBULYUOC-ROUUACIJSA-N 1 3 362.518 0.921 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019813 493567067 /nfs/dbraw/zinc/56/70/67/493567067.db2.gz VCXWQTHIGSMWPP-XHSDSOJGSA-N 1 3 360.506 0.900 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCCC1 ZINC000670535902 493577802 /nfs/dbraw/zinc/57/78/02/493577802.db2.gz ICPVBLDBUIXYQA-UHFFFAOYSA-N 1 3 359.474 0.721 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104268 493634330 /nfs/dbraw/zinc/63/43/30/493634330.db2.gz NABNNMGGTYPSLD-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104268 493634332 /nfs/dbraw/zinc/63/43/32/493634332.db2.gz NABNNMGGTYPSLD-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107190 493635511 /nfs/dbraw/zinc/63/55/11/493635511.db2.gz GTCNOGWANXTLDY-VQHPVUNQSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107190 493635513 /nfs/dbraw/zinc/63/55/13/493635513.db2.gz GTCNOGWANXTLDY-VQHPVUNQSA-N 1 3 350.507 0.966 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000671134669 493642004 /nfs/dbraw/zinc/64/20/04/493642004.db2.gz IEYLSWZZXMKWJD-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000671134669 493642006 /nfs/dbraw/zinc/64/20/06/493642006.db2.gz IEYLSWZZXMKWJD-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664394781 493657384 /nfs/dbraw/zinc/65/73/84/493657384.db2.gz CXUNDQFHKGUBHE-MRXNPFEDSA-N 1 3 355.527 0.626 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664394781 493657386 /nfs/dbraw/zinc/65/73/86/493657386.db2.gz CXUNDQFHKGUBHE-MRXNPFEDSA-N 1 3 355.527 0.626 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000671375773 493661629 /nfs/dbraw/zinc/66/16/29/493661629.db2.gz OKWBWWGZLNUPLG-AWEZNQCLSA-N 1 3 354.495 0.060 20 0 FCADHO CN(C)CCCNC(=O)c1cc(=O)cc(C(=O)NCCC[NH+](C)C)o1 ZINC000665110411 493700309 /nfs/dbraw/zinc/70/03/09/493700309.db2.gz BBFCDQKJVQBARU-UHFFFAOYSA-N 1 3 352.435 0.003 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271271 493707962 /nfs/dbraw/zinc/70/79/62/493707962.db2.gz KNGSOEKUZSDMIA-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271271 493707963 /nfs/dbraw/zinc/70/79/63/493707963.db2.gz KNGSOEKUZSDMIA-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000680520104 493722072 /nfs/dbraw/zinc/72/20/72/493722072.db2.gz JTKGGJSIUQHJAT-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000672010814 493724625 /nfs/dbraw/zinc/72/46/25/493724625.db2.gz OSCWUFHQWQAYNM-OAHLLOKOSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010758 493724633 /nfs/dbraw/zinc/72/46/33/493724633.db2.gz DUVCRZDLJOIKTQ-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672308618 493753232 /nfs/dbraw/zinc/75/32/32/493753232.db2.gz VJWLVRMVYDNMMB-MRXNPFEDSA-N 1 3 357.458 0.331 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309454 493754042 /nfs/dbraw/zinc/75/40/42/493754042.db2.gz NOJRHVKMBJCFGA-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309454 493754043 /nfs/dbraw/zinc/75/40/43/493754043.db2.gz NOJRHVKMBJCFGA-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO CN(C)CCn1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000666183564 493761057 /nfs/dbraw/zinc/76/10/57/493761057.db2.gz KLYZAGGKOGLXQT-OAHLLOKOSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1ccc(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000666183564 493761059 /nfs/dbraw/zinc/76/10/59/493761059.db2.gz KLYZAGGKOGLXQT-OAHLLOKOSA-N 1 3 350.467 0.508 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000947964620 674369179 /nfs/dbraw/zinc/36/91/79/674369179.db2.gz HCWIDHQWLSJNJN-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410431098 527824051 /nfs/dbraw/zinc/82/40/51/527824051.db2.gz GSCNZDZEOWYNKL-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410431098 527824056 /nfs/dbraw/zinc/82/40/56/527824056.db2.gz GSCNZDZEOWYNKL-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410431101 527824488 /nfs/dbraw/zinc/82/44/88/527824488.db2.gz GSCNZDZEOWYNKL-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410431101 527824494 /nfs/dbraw/zinc/82/44/94/527824494.db2.gz GSCNZDZEOWYNKL-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO COC[C@@H](C)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419262531 536526527 /nfs/dbraw/zinc/52/65/27/536526527.db2.gz SSTMVXLPQVXLCN-OAHLLOKOSA-N 1 3 362.474 0.247 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410471509 528145201 /nfs/dbraw/zinc/14/52/01/528145201.db2.gz QJLGGYKEVFNWLV-DLBZAZTESA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410471513 528148003 /nfs/dbraw/zinc/14/80/03/528148003.db2.gz QJLGGYKEVFNWLV-IRXDYDNUSA-N 1 3 368.522 0.498 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000411027611 529057627 /nfs/dbraw/zinc/05/76/27/529057627.db2.gz OVASTLAAWKZIOJ-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423504206 535063234 /nfs/dbraw/zinc/06/32/34/535063234.db2.gz KSTZSRAWCVCIMV-IAGOWNOFSA-N 1 3 368.522 0.530 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419217835 535068459 /nfs/dbraw/zinc/06/84/59/535068459.db2.gz RHSVFZNYFAYWJS-MRXNPFEDSA-N 1 3 350.463 0.343 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000439240793 535120596 /nfs/dbraw/zinc/12/05/96/535120596.db2.gz XCWMBGJLBDDFLT-ROUUACIJSA-N 1 3 355.523 0.989 20 0 FCADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419231480 535194398 /nfs/dbraw/zinc/19/43/98/535194398.db2.gz RWVFHBXXKBSCOW-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419761642 535297203 /nfs/dbraw/zinc/29/72/03/535297203.db2.gz KUSCZFUAJGKZDF-DLBZAZTESA-N 1 3 368.522 0.579 20 0 FCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430561167 535461297 /nfs/dbraw/zinc/46/12/97/535461297.db2.gz JXTFFFFQURLHOD-MRXNPFEDSA-N 1 3 360.506 0.835 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415362916 535463887 /nfs/dbraw/zinc/46/38/87/535463887.db2.gz CPFHSBSXXKGZED-UHFFFAOYSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419587887 535477359 /nfs/dbraw/zinc/47/73/59/535477359.db2.gz NWUGHCMWPULJHW-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369328 535652661 /nfs/dbraw/zinc/65/26/61/535652661.db2.gz HMHCUPLIYASZTF-ZWKOTPCHSA-N 1 3 360.502 0.924 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423373891 535866499 /nfs/dbraw/zinc/86/64/99/535866499.db2.gz SNDVWYZXTQNMRC-UHFFFAOYSA-N 1 3 362.474 0.772 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000415299335 535904943 /nfs/dbraw/zinc/90/49/43/535904943.db2.gz YGKMQNBPHAZSTK-LLVKDONJSA-N 1 3 354.838 0.779 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423612228 536355154 /nfs/dbraw/zinc/35/51/54/536355154.db2.gz PELXAFVCFJNBPG-OAHLLOKOSA-N 1 3 352.504 0.849 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163118 536417192 /nfs/dbraw/zinc/41/71/92/536417192.db2.gz JCXHCLHCRXJLFC-ZWKOTPCHSA-N 1 3 374.485 0.214 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)[C@@H]2C1 ZINC000425379303 536487480 /nfs/dbraw/zinc/48/74/80/536487480.db2.gz AMVVMBOWVNBKMH-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cn1 ZINC000329164654 546549509 /nfs/dbraw/zinc/54/95/09/546549509.db2.gz GYTRSGLOEZRHNQ-CVEARBPZSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164654 546549511 /nfs/dbraw/zinc/54/95/11/546549511.db2.gz GYTRSGLOEZRHNQ-CVEARBPZSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000329164654 546549516 /nfs/dbraw/zinc/54/95/16/546549516.db2.gz GYTRSGLOEZRHNQ-CVEARBPZSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cn1 ZINC000329164659 546550089 /nfs/dbraw/zinc/55/00/89/546550089.db2.gz GYTRSGLOEZRHNQ-HZPDHXFCSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164659 546550094 /nfs/dbraw/zinc/55/00/94/546550094.db2.gz GYTRSGLOEZRHNQ-HZPDHXFCSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164659 546550099 /nfs/dbraw/zinc/55/00/99/546550099.db2.gz GYTRSGLOEZRHNQ-HZPDHXFCSA-N 1 3 367.519 0.790 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000550836899 547109875 /nfs/dbraw/zinc/10/98/75/547109875.db2.gz SXLKIHLVFNLGDF-KRWDZBQOSA-N 1 3 356.536 0.531 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550904530 547114803 /nfs/dbraw/zinc/11/48/03/547114803.db2.gz YRBIZWZSMWEPJU-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550904530 547114805 /nfs/dbraw/zinc/11/48/05/547114805.db2.gz YRBIZWZSMWEPJU-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551214908 547133932 /nfs/dbraw/zinc/13/39/32/547133932.db2.gz IPIUEMVUZSDVSS-YOEHRIQHSA-N 1 3 356.536 0.531 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000551210838 547134314 /nfs/dbraw/zinc/13/43/14/547134314.db2.gz ABDPSOSVZBVLAH-WMLDXEAASA-N 1 3 356.536 0.340 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000551210838 547134317 /nfs/dbraw/zinc/13/43/17/547134317.db2.gz ABDPSOSVZBVLAH-WMLDXEAASA-N 1 3 356.536 0.340 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280334 547138555 /nfs/dbraw/zinc/13/85/55/547138555.db2.gz NUVMHUMKSJCSFL-HOTGVXAUSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280334 547138564 /nfs/dbraw/zinc/13/85/64/547138564.db2.gz NUVMHUMKSJCSFL-HOTGVXAUSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000553023438 547246545 /nfs/dbraw/zinc/24/65/45/547246545.db2.gz REMGQYCAJTXKKK-KRWDZBQOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCC(C)CC2)CC[N@@H+]1C ZINC000950241553 674422785 /nfs/dbraw/zinc/42/27/85/674422785.db2.gz IYOIHFCQRNNZQM-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCC(C)CC2)CC[N@H+]1C ZINC000950241553 674422786 /nfs/dbraw/zinc/42/27/86/674422786.db2.gz IYOIHFCQRNNZQM-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCC(C)CC2)CC[N@@H+]1C ZINC000950241552 674422863 /nfs/dbraw/zinc/42/28/63/674422863.db2.gz IYOIHFCQRNNZQM-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCC(C)CC2)CC[N@H+]1C ZINC000950241552 674422864 /nfs/dbraw/zinc/42/28/64/674422864.db2.gz IYOIHFCQRNNZQM-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000951153967 674450468 /nfs/dbraw/zinc/45/04/68/674450468.db2.gz QYFWBEVAYKHIEL-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000951153967 674450469 /nfs/dbraw/zinc/45/04/69/674450469.db2.gz QYFWBEVAYKHIEL-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954502830 674498431 /nfs/dbraw/zinc/49/84/31/674498431.db2.gz SHUBJONEHUTCJH-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954502830 674498434 /nfs/dbraw/zinc/49/84/34/674498434.db2.gz SHUBJONEHUTCJH-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000956387157 674522690 /nfs/dbraw/zinc/52/26/90/674522690.db2.gz IQJBBVXVLSFEIZ-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000956387157 674522693 /nfs/dbraw/zinc/52/26/93/674522693.db2.gz IQJBBVXVLSFEIZ-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000957015504 674533736 /nfs/dbraw/zinc/53/37/36/674533736.db2.gz XLXFDENEWTZKNK-RKVPGOIHSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000957015504 674533739 /nfs/dbraw/zinc/53/37/39/674533739.db2.gz XLXFDENEWTZKNK-RKVPGOIHSA-N 1 3 350.507 0.918 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729588569 665732376 /nfs/dbraw/zinc/73/23/76/665732376.db2.gz SMDNIJNVAFKDKJ-HOTGVXAUSA-N 1 3 353.511 0.175 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729588569 665732378 /nfs/dbraw/zinc/73/23/78/665732378.db2.gz SMDNIJNVAFKDKJ-HOTGVXAUSA-N 1 3 353.511 0.175 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971560683 663397663 /nfs/dbraw/zinc/39/76/63/663397663.db2.gz IWXBFALVDCEDHQ-RBSFLKMASA-N 1 3 350.463 0.008 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971560683 663397665 /nfs/dbraw/zinc/39/76/65/663397665.db2.gz IWXBFALVDCEDHQ-RBSFLKMASA-N 1 3 350.463 0.008 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891484331 663409182 /nfs/dbraw/zinc/40/91/82/663409182.db2.gz UPXBQRWFUSNTRC-JKSUJKDBSA-N 1 3 353.511 0.842 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)o1 ZINC000926313023 663457774 /nfs/dbraw/zinc/45/77/74/663457774.db2.gz CHODDVOUZMPQKM-HNNXBMFYSA-N 1 3 350.463 0.676 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000891970390 663459386 /nfs/dbraw/zinc/45/93/86/663459386.db2.gz GEMOEDXUCAGNLG-OAHLLOKOSA-N 1 3 351.495 0.644 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000891970388 663459507 /nfs/dbraw/zinc/45/95/07/663459507.db2.gz GEMOEDXUCAGNLG-HNNXBMFYSA-N 1 3 351.495 0.644 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)N(C)C ZINC000972861810 663896772 /nfs/dbraw/zinc/89/67/72/663896772.db2.gz VFKNMPTZZHTZFN-BRWVUGGUSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1CC[N@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649376 664058913 /nfs/dbraw/zinc/05/89/13/664058913.db2.gz LDAMPWZVZLYQNL-HZPDHXFCSA-N 1 3 353.511 0.570 20 0 FCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649376 664058915 /nfs/dbraw/zinc/05/89/15/664058915.db2.gz LDAMPWZVZLYQNL-HZPDHXFCSA-N 1 3 353.511 0.570 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000892651525 664059070 /nfs/dbraw/zinc/05/90/70/664059070.db2.gz ZLLQHGCBUOYTJY-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000892651525 664059073 /nfs/dbraw/zinc/05/90/73/664059073.db2.gz ZLLQHGCBUOYTJY-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892944935 664177162 /nfs/dbraw/zinc/17/71/62/664177162.db2.gz XCUKPMQXQFSIOQ-IKGGRYGDSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892944935 664177163 /nfs/dbraw/zinc/17/71/63/664177163.db2.gz XCUKPMQXQFSIOQ-IKGGRYGDSA-N 1 3 354.495 0.338 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1)N(C)C ZINC000975038642 664299933 /nfs/dbraw/zinc/29/99/33/664299933.db2.gz CUOOCADGJKTCAV-QBPKDAKJSA-N 1 3 352.523 0.972 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCCN(CCCO)CC2)CC1 ZINC000981185536 664816293 /nfs/dbraw/zinc/81/62/93/664816293.db2.gz YLALODVDIOLUNL-MSOLQXFVSA-N 1 3 353.507 0.650 20 0 FCADHO CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441496 665167389 /nfs/dbraw/zinc/16/73/89/665167389.db2.gz JSTNJGKDMRGGIT-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CC[C@@H](N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985441496 665167390 /nfs/dbraw/zinc/16/73/90/665167390.db2.gz JSTNJGKDMRGGIT-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ncn(C)c1Cl ZINC000320985848 665209020 /nfs/dbraw/zinc/20/90/20/665209020.db2.gz LXTJEEBAZRMMDH-UHFFFAOYSA-N 1 3 363.915 0.720 20 0 FCADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000897433501 665258824 /nfs/dbraw/zinc/25/88/24/665258824.db2.gz XUWWWGFCWWBTGL-INIZCTEOSA-N 1 3 351.495 0.278 20 0 FCADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000897433501 665258825 /nfs/dbraw/zinc/25/88/25/665258825.db2.gz XUWWWGFCWWBTGL-INIZCTEOSA-N 1 3 351.495 0.278 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)CC[N@@H+]1C ZINC000988323900 665285204 /nfs/dbraw/zinc/28/52/04/665285204.db2.gz QGWQWWGVJHVWFR-SRABZTEZSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)CC[N@H+]1C ZINC000988323900 665285205 /nfs/dbraw/zinc/28/52/05/665285205.db2.gz QGWQWWGVJHVWFR-SRABZTEZSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)CC[N@@H+]1C ZINC000938402505 666467017 /nfs/dbraw/zinc/46/70/17/666467017.db2.gz VJNFBUGVHBPYDV-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)CC[N@H+]1C ZINC000938402505 666467020 /nfs/dbraw/zinc/46/70/20/666467020.db2.gz VJNFBUGVHBPYDV-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000941217530 666593678 /nfs/dbraw/zinc/59/36/78/666593678.db2.gz HNNYFHXRIRBHOW-GVDBMIGSSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC000941217530 666593680 /nfs/dbraw/zinc/59/36/80/666593680.db2.gz HNNYFHXRIRBHOW-GVDBMIGSSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941217529 666593689 /nfs/dbraw/zinc/59/36/89/666593689.db2.gz HNNYFHXRIRBHOW-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941217529 666593690 /nfs/dbraw/zinc/59/36/90/666593690.db2.gz HNNYFHXRIRBHOW-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=S)NCCCN3CCOCC3)C2)CC1 ZINC000732721803 666896469 /nfs/dbraw/zinc/89/64/69/666896469.db2.gz VPSRKAFKWQKKQD-MRXNPFEDSA-N 1 3 369.579 0.341 20 0 FCADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1=O ZINC000997013295 667065470 /nfs/dbraw/zinc/06/54/70/667065470.db2.gz WUTQHKDYPQPEPY-VNHYZAJKSA-N 1 3 350.463 0.089 20 0 FCADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCN2C2CCOCC2)CCOCC1 ZINC000918666341 667130697 /nfs/dbraw/zinc/13/06/97/667130697.db2.gz PLRDONNJDUJAFP-MRXNPFEDSA-N 1 3 354.495 0.650 20 0 FCADHO CC(C)N1CCO[C@@H](CN2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326778 667825574 /nfs/dbraw/zinc/82/55/74/667825574.db2.gz KCPZKAYIEARQHR-MSOLQXFVSA-N 1 3 352.523 0.092 20 0 FCADHO C[C@H]1CN(C)C(=O)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000782577006 668568903 /nfs/dbraw/zinc/56/89/03/668568903.db2.gz ZBPNLOGRCRFWRQ-AWEZNQCLSA-N 1 3 351.495 0.417 20 0 FCADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000819288138 668994255 /nfs/dbraw/zinc/99/42/55/668994255.db2.gz VMCUGNDNXPOWKX-KRWDZBQOSA-N 1 3 369.531 0.739 20 0 FCADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644265 669859970 /nfs/dbraw/zinc/85/99/70/669859970.db2.gz RCKQFJGBNURRMT-CABCVRRESA-N 1 3 351.882 0.939 20 0 FCADHO COC(=O)CS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817907783 670047865 /nfs/dbraw/zinc/04/78/65/670047865.db2.gz WLXHGXTXRFEJOY-HOTGVXAUSA-N 1 3 354.472 0.991 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCCCC1 ZINC000842014535 670625794 /nfs/dbraw/zinc/62/57/94/670625794.db2.gz CLNIVPMENDZSKB-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853683338 671554083 /nfs/dbraw/zinc/55/40/83/671554083.db2.gz QUVDIGLQZMBNBA-GVDBMIGSSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853683338 671554085 /nfs/dbraw/zinc/55/40/85/671554085.db2.gz QUVDIGLQZMBNBA-GVDBMIGSSA-N 1 3 352.479 0.090 20 0 FCADHO CC1CCC(NC(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000903523249 675938127 /nfs/dbraw/zinc/93/81/27/675938127.db2.gz ZBHAPLBAXRJUQF-UGSUZCALSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758439 675968965 /nfs/dbraw/zinc/96/89/65/675968965.db2.gz JYTYXKUZYNPKNG-CVEARBPZSA-N 1 3 359.536 0.749 20 0 FCADHO CCn1[nH]c(C)nc1=NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000888529045 672425622 /nfs/dbraw/zinc/42/56/22/672425622.db2.gz NWFNVHVPLGRMSD-HNNXBMFYSA-N 1 3 351.499 0.908 20 0 FCADHO CCn1[nH]c(C)nc1=NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000888529045 672425623 /nfs/dbraw/zinc/42/56/23/672425623.db2.gz NWFNVHVPLGRMSD-HNNXBMFYSA-N 1 3 351.499 0.908 20 0 FCADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873328928 672714087 /nfs/dbraw/zinc/71/40/87/672714087.db2.gz RWLCEPOYFRSCGZ-CQSZACIVSA-N 1 3 350.467 0.725 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCCCS3(=O)=O)CC2)CC1 ZINC000878553813 673065904 /nfs/dbraw/zinc/06/59/04/673065904.db2.gz SANBALLMYSLEIL-UHFFFAOYSA-N 1 3 372.535 0.087 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000888870081 673219403 /nfs/dbraw/zinc/21/94/03/673219403.db2.gz LFQCMTCNZUPUCV-OAHLLOKOSA-N 1 3 353.511 0.870 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N1CCC(C)CC1 ZINC000884502178 673457798 /nfs/dbraw/zinc/45/77/98/673457798.db2.gz CNOIPAGEWFRNDJ-KBPBESRZSA-N 1 3 360.449 0.584 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884587421 673464261 /nfs/dbraw/zinc/46/42/61/673464261.db2.gz IJSYQKKFPFPJAG-SFHVURJKSA-N 1 3 356.511 0.294 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884617171 673466361 /nfs/dbraw/zinc/46/63/61/673466361.db2.gz IYIVTHNCNALDPK-YNEHKIRRSA-N 1 3 364.412 0.573 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000884775878 673481147 /nfs/dbraw/zinc/48/11/47/673481147.db2.gz KUXJDGUDVYRSEV-MJBXVCDLSA-N 1 3 358.433 0.481 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885199733 673507977 /nfs/dbraw/zinc/50/79/77/673507977.db2.gz VOZRTVTVSUPRNL-UHFFFAOYSA-N 1 3 352.454 0.960 20 0 FCADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000924383669 673751525 /nfs/dbraw/zinc/75/15/25/673751525.db2.gz IUXASWDMVIEVJK-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H]1C[N@H+](CCCN2C(=O)N[C@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741574 673762432 /nfs/dbraw/zinc/76/24/32/673762432.db2.gz GJABVUTYYNQTNS-JKSUJKDBSA-N 1 3 352.479 0.894 20 0 FCADHO C[C@H]1C[N@@H+](CCCN2C(=O)N[C@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741574 673762434 /nfs/dbraw/zinc/76/24/34/673762434.db2.gz GJABVUTYYNQTNS-JKSUJKDBSA-N 1 3 352.479 0.894 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001011208734 675376803 /nfs/dbraw/zinc/37/68/03/675376803.db2.gz LSQYEADIZOGJEY-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC[N@H+]1C ZINC001011208734 675376804 /nfs/dbraw/zinc/37/68/04/675376804.db2.gz LSQYEADIZOGJEY-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)CC[N@@H+]1C ZINC001020274330 675439187 /nfs/dbraw/zinc/43/91/87/675439187.db2.gz TVZMUBLKDQUZEQ-LUKYLMHMSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)CC[N@H+]1C ZINC001020274330 675439189 /nfs/dbraw/zinc/43/91/89/675439189.db2.gz TVZMUBLKDQUZEQ-LUKYLMHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001075906766 1192181268 /nfs/dbraw/zinc/18/12/68/1192181268.db2.gz YTVXUMMCQQDNAQ-GVDBMIGSSA-N 1 3 363.506 0.419 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001075906766 1192181278 /nfs/dbraw/zinc/18/12/78/1192181278.db2.gz YTVXUMMCQQDNAQ-GVDBMIGSSA-N 1 3 363.506 0.419 20 0 FCADHO CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104346792 1170130759 /nfs/dbraw/zinc/13/07/59/1170130759.db2.gz JICOFFJGTYDMIB-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691079237 1170731067 /nfs/dbraw/zinc/73/10/67/1170731067.db2.gz JOGMONGVOVGCRB-HYVNUMGLSA-N 1 3 354.495 0.060 20 0 FCADHO CC(=O)NCCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691079237 1170731073 /nfs/dbraw/zinc/73/10/73/1170731073.db2.gz JOGMONGVOVGCRB-HYVNUMGLSA-N 1 3 354.495 0.060 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972314760 1171958459 /nfs/dbraw/zinc/95/84/59/1171958459.db2.gz OTCVXDDWYURKHJ-HYVNUMGLSA-N 1 3 357.458 0.353 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000898270901 1192864826 /nfs/dbraw/zinc/86/48/26/1192864826.db2.gz YSGQQPPUKIGMQR-IEBWSBKVSA-N 1 3 358.486 0.912 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC000898270901 1192864827 /nfs/dbraw/zinc/86/48/27/1192864827.db2.gz YSGQQPPUKIGMQR-IEBWSBKVSA-N 1 3 358.486 0.912 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001023377594 1179494125 /nfs/dbraw/zinc/49/41/25/1179494125.db2.gz QVGWMOJLAACGEX-BZUAXINKSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001023377594 1179494155 /nfs/dbraw/zinc/49/41/55/1179494155.db2.gz QVGWMOJLAACGEX-BZUAXINKSA-N 1 3 364.490 0.304 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023380907 1179509070 /nfs/dbraw/zinc/50/90/70/1179509070.db2.gz IWBRLSJBLCLATK-IXDOHACOSA-N 1 3 365.522 0.570 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023380907 1179509089 /nfs/dbraw/zinc/50/90/89/1179509089.db2.gz IWBRLSJBLCLATK-IXDOHACOSA-N 1 3 365.522 0.570 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]32)CCC1 ZINC000972638378 1180090008 /nfs/dbraw/zinc/09/00/08/1180090008.db2.gz LFBLZLVEFZIGJU-BRWVUGGUSA-N 1 3 362.518 0.870 20 0 FCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@H]21 ZINC000892519220 1181709743 /nfs/dbraw/zinc/70/97/43/1181709743.db2.gz MZHQRSPSOCXJJK-CRAIPNDOSA-N 1 3 369.473 0.962 20 0 FCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@H]21 ZINC000892519220 1181709753 /nfs/dbraw/zinc/70/97/53/1181709753.db2.gz MZHQRSPSOCXJJK-CRAIPNDOSA-N 1 3 369.473 0.962 20 0 FCADHO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@H]21 ZINC000892519221 1181710125 /nfs/dbraw/zinc/71/01/25/1181710125.db2.gz MZHQRSPSOCXJJK-MAUKXSAKSA-N 1 3 369.473 0.962 20 0 FCADHO C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@H]21 ZINC000892519221 1181710139 /nfs/dbraw/zinc/71/01/39/1181710139.db2.gz MZHQRSPSOCXJJK-MAUKXSAKSA-N 1 3 369.473 0.962 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892602646 1181918821 /nfs/dbraw/zinc/91/88/21/1181918821.db2.gz LRAONZGIJUKFSE-BJWYYQGGSA-N 1 3 363.506 0.467 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001104732041 1182407884 /nfs/dbraw/zinc/40/78/84/1182407884.db2.gz KNBSPFNIRFEOQF-ZIAGYGMSSA-N 1 3 361.446 0.175 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001104732106 1182408321 /nfs/dbraw/zinc/40/83/21/1182408321.db2.gz OIVIJYFKZIKGDR-BFYDXBDKSA-N 1 3 360.462 0.284 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)C[C@H]2[NH3+])cn1 ZINC000892790200 1182507086 /nfs/dbraw/zinc/50/70/86/1182507086.db2.gz ZJWXKGBOTZYMLH-OKZBNKHCSA-N 1 3 354.458 0.571 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717965 1185635152 /nfs/dbraw/zinc/63/51/52/1185635152.db2.gz AZGVSQFGTZBQAG-JZXOWHBKSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717965 1185635161 /nfs/dbraw/zinc/63/51/61/1185635161.db2.gz AZGVSQFGTZBQAG-JZXOWHBKSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC001058845501 1186245191 /nfs/dbraw/zinc/24/51/91/1186245191.db2.gz PNJQSEOBEBGVPI-YESZJQIVSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC001058845501 1186245198 /nfs/dbraw/zinc/24/51/98/1186245198.db2.gz PNJQSEOBEBGVPI-YESZJQIVSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC000981776835 1186517784 /nfs/dbraw/zinc/51/77/84/1186517784.db2.gz YAPDNOYKWWXFBM-IAGOWNOFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCCC2=O)C3)CC[N@H+]1C ZINC000981776835 1186517786 /nfs/dbraw/zinc/51/77/86/1186517786.db2.gz YAPDNOYKWWXFBM-IAGOWNOFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784981 1186520971 /nfs/dbraw/zinc/52/09/71/1186520971.db2.gz YXSRMPFWORENHF-YESZJQIVSA-N 1 3 362.518 0.968 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409826 1188356897 /nfs/dbraw/zinc/35/68/97/1188356897.db2.gz BNVXEIMUMZXYQW-OALUTQOASA-N 1 3 372.513 0.972 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)n1 ZINC001075804006 1189393011 /nfs/dbraw/zinc/39/30/11/1189393011.db2.gz PGFIUMCVWLLKEO-FUHWJXTLSA-N 1 3 371.489 0.488 20 0 FCADHO CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)CC[NH+]1CCCC1)C2 ZINC001271060990 1189544418 /nfs/dbraw/zinc/54/44/18/1189544418.db2.gz DMXKGCFZKMRPEM-IBGZPJMESA-N 1 3 366.506 0.111 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1CCN1CCNC1=O ZINC001087578644 1189619090 /nfs/dbraw/zinc/61/90/90/1189619090.db2.gz HHDRRCYSEOQVQV-MWDXBVQZSA-N 1 3 365.522 0.711 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1CCN1CCNC1=O ZINC001087578644 1189619101 /nfs/dbraw/zinc/61/91/01/1189619101.db2.gz HHDRRCYSEOQVQV-MWDXBVQZSA-N 1 3 365.522 0.711 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCn1nc(C)nc1C ZINC001087799441 1189829134 /nfs/dbraw/zinc/82/91/34/1189829134.db2.gz VDNCHOBTUUNGCQ-DLBZAZTESA-N 1 3 360.506 0.960 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895851932 1189888053 /nfs/dbraw/zinc/88/80/53/1189888053.db2.gz ZVHGOCDERJUIFW-FGTMMUONSA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895851932 1189888056 /nfs/dbraw/zinc/88/80/56/1189888056.db2.gz ZVHGOCDERJUIFW-FGTMMUONSA-N 1 3 366.506 0.480 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993196 1190143708 /nfs/dbraw/zinc/14/37/08/1190143708.db2.gz DUOKUZNZDDVOCN-AOIWGVFYSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993196 1190143710 /nfs/dbraw/zinc/14/37/10/1190143710.db2.gz DUOKUZNZDDVOCN-AOIWGVFYSA-N 1 3 362.518 0.729 20 0 FCADHO CN1CCC[C@H](N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090317 1190538038 /nfs/dbraw/zinc/53/80/38/1190538038.db2.gz HNJUWBOQRCOTEE-SQNIBIBYSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088095428 1190561869 /nfs/dbraw/zinc/56/18/69/1190561869.db2.gz NJXGDLKJMVADJB-IXDOHACOSA-N 1 3 365.522 0.378 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088095428 1190561884 /nfs/dbraw/zinc/56/18/84/1190561884.db2.gz NJXGDLKJMVADJB-IXDOHACOSA-N 1 3 365.522 0.378 20 0 FCADHO C[NH+]1CCC(N2CCOC[C@]3(CC(=O)N(CCn4ccnc4)C3)C2)CC1 ZINC001276757045 1224114177 /nfs/dbraw/zinc/11/41/77/1224114177.db2.gz NDGZFUDFKLTOBA-LJQANCHMSA-N 1 3 361.490 0.528 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000986416203 1190983085 /nfs/dbraw/zinc/98/30/85/1190983085.db2.gz AJRRLBGISHGYKA-CVEARBPZSA-N 1 3 371.485 0.888 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccn(C)c(=O)c1 ZINC001088572115 1191207739 /nfs/dbraw/zinc/20/77/39/1191207739.db2.gz YEURYSLRUTZCAN-JLSDUUJJSA-N 1 3 358.486 0.806 20 0 FCADHO C[NH+](C)CCCC(=O)N1CCO[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218550605 1224171425 /nfs/dbraw/zinc/17/14/25/1224171425.db2.gz GNTLEQILLBBXLL-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO CC(C)[C@H]1N(C(=O)C2(N(C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636737 1193843553 /nfs/dbraw/zinc/84/35/53/1193843553.db2.gz CFLDHIJPSFUMDF-YWTNHNAXSA-N 1 3 367.534 0.819 20 0 FCADHO COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655599 1193859947 /nfs/dbraw/zinc/85/99/47/1193859947.db2.gz JIEJUBDHZLFCEQ-RWQQGDIJSA-N 1 3 364.490 0.955 20 0 FCADHO CN1CCN(c2ncc(NC(=O)c3ccc([C@@H]([NH3+])CN)cc3)cn2)CC1 ZINC001218579788 1224177020 /nfs/dbraw/zinc/17/70/20/1224177020.db2.gz LAGUBWWFEVPCSQ-INIZCTEOSA-N 1 3 355.446 0.439 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@H]1C(C)C ZINC001105667312 1193930556 /nfs/dbraw/zinc/93/05/56/1193930556.db2.gz QIWWYKBDJBOOEE-OHDICMOHSA-N 1 3 368.522 0.040 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@H]1C(C)C ZINC001105667312 1193930559 /nfs/dbraw/zinc/93/05/59/1193930559.db2.gz QIWWYKBDJBOOEE-OHDICMOHSA-N 1 3 368.522 0.040 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCCN1C1CCCC1 ZINC001083523455 1194146090 /nfs/dbraw/zinc/14/60/90/1194146090.db2.gz FAMNMCIHOOFAJY-QRVBRYPASA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCCN1C1CCCC1 ZINC001083523455 1194146092 /nfs/dbraw/zinc/14/60/92/1194146092.db2.gz FAMNMCIHOOFAJY-QRVBRYPASA-N 1 3 365.518 0.981 20 0 FCADHO CC(C)Cn1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001218747294 1224212179 /nfs/dbraw/zinc/21/21/79/1224212179.db2.gz BZULBVSCIBKNEI-GJZGRUSLSA-N 1 3 364.494 0.925 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1=O ZINC001076467975 1194502859 /nfs/dbraw/zinc/50/28/59/1194502859.db2.gz XYJUTAYDVTZXHL-DLBZAZTESA-N 1 3 356.470 0.514 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569228 1194574947 /nfs/dbraw/zinc/57/49/47/1194574947.db2.gz OHOAUMBKMJDFPV-RCCFBDPRSA-N 1 3 356.470 0.770 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569228 1194574949 /nfs/dbraw/zinc/57/49/49/1194574949.db2.gz OHOAUMBKMJDFPV-RCCFBDPRSA-N 1 3 356.470 0.770 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001077128814 1195244686 /nfs/dbraw/zinc/24/46/86/1195244686.db2.gz GFGTVILLFWBFHM-CEXWTWQISA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001077128814 1195244690 /nfs/dbraw/zinc/24/46/90/1195244690.db2.gz GFGTVILLFWBFHM-CEXWTWQISA-N 1 3 365.518 0.981 20 0 FCADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC000905147309 1195577653 /nfs/dbraw/zinc/57/76/53/1195577653.db2.gz UWTNNPOZJCSVQM-PMACEKPBSA-N 1 3 364.486 0.635 20 0 FCADHO O[C@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC000905147309 1195577658 /nfs/dbraw/zinc/57/76/58/1195577658.db2.gz UWTNNPOZJCSVQM-PMACEKPBSA-N 1 3 364.486 0.635 20 0 FCADHO CC1(C)CO[C@@H](CN2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1 ZINC001083607450 1195685649 /nfs/dbraw/zinc/68/56/49/1195685649.db2.gz YUYPILWKEOADCP-ZACQAIPSSA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)c3ccn4cncc4c3)[C@@H](O)C2)C1 ZINC001083607450 1195685655 /nfs/dbraw/zinc/68/56/55/1195685655.db2.gz YUYPILWKEOADCP-ZACQAIPSSA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3ccn4cncc4c3)[C@@H](O)C2)C1 ZINC001083607450 1195685660 /nfs/dbraw/zinc/68/56/60/1195685660.db2.gz YUYPILWKEOADCP-ZACQAIPSSA-N 1 3 358.442 0.924 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000910962824 1195869298 /nfs/dbraw/zinc/86/92/98/1195869298.db2.gz NFCQFZPPHRSTKC-RCCFBDPRSA-N 1 3 358.486 0.343 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911023836 1195876191 /nfs/dbraw/zinc/87/61/91/1195876191.db2.gz XPIVVQDGKYEDSO-QZTJIDSGSA-N 1 3 358.486 0.966 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911101241 1195889648 /nfs/dbraw/zinc/88/96/48/1195889648.db2.gz IVEYDBZWMVCVCI-HOCLYGCPSA-N 1 3 359.474 0.673 20 0 FCADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000911163370 1195900880 /nfs/dbraw/zinc/90/08/80/1195900880.db2.gz XDKJFDKSGPTLLN-INIZCTEOSA-N 1 3 358.486 0.748 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911258024 1195927592 /nfs/dbraw/zinc/92/75/92/1195927592.db2.gz LRAAYDDRNLOWOZ-IXDOHACOSA-N 1 3 358.486 0.964 20 0 FCADHO COC(=O)c1c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccc2c1OC[C@H]1C[C@@H]21 ZINC001219217629 1224390706 /nfs/dbraw/zinc/39/07/06/1224390706.db2.gz NMJZHEXMKBEBSM-RTXFEEFZSA-N 1 3 357.410 0.717 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085406813 1197873585 /nfs/dbraw/zinc/87/35/85/1197873585.db2.gz ZCLNHJQGFFNJPI-ZIAGYGMSSA-N 1 3 361.446 0.427 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855484 1197893891 /nfs/dbraw/zinc/89/38/91/1197893891.db2.gz FKBSZSNNNJARLH-GGPKGHCWSA-N 1 3 359.470 0.603 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855484 1197893894 /nfs/dbraw/zinc/89/38/94/1197893894.db2.gz FKBSZSNNNJARLH-GGPKGHCWSA-N 1 3 359.470 0.603 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)COC1(C)C ZINC001219539793 1224502834 /nfs/dbraw/zinc/50/28/34/1224502834.db2.gz AUHRWNKFZNOESO-WJNVRWDZSA-N 1 3 374.441 0.384 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169137558 1199047869 /nfs/dbraw/zinc/04/78/69/1199047869.db2.gz CSQJJZAVOWKEGD-PIIMJCKOSA-N 1 3 372.513 0.962 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169137558 1199047872 /nfs/dbraw/zinc/04/78/72/1199047872.db2.gz CSQJJZAVOWKEGD-PIIMJCKOSA-N 1 3 372.513 0.962 20 0 FCADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134634 1199048864 /nfs/dbraw/zinc/04/88/64/1199048864.db2.gz WASGXXKIXLCEII-CABLIKTCSA-N 1 3 363.502 0.807 20 0 FCADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134634 1199048870 /nfs/dbraw/zinc/04/88/70/1199048870.db2.gz WASGXXKIXLCEII-CABLIKTCSA-N 1 3 363.502 0.807 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469650 1200310978 /nfs/dbraw/zinc/31/09/78/1200310978.db2.gz BXCWYULNJBLUQI-BDXSIMOUSA-N 1 3 362.474 0.637 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001110019236 1200709432 /nfs/dbraw/zinc/70/94/32/1200709432.db2.gz MFQYZZHDMCFRMM-BDXSIMOUSA-N 1 3 363.506 0.697 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001110019236 1200709439 /nfs/dbraw/zinc/70/94/39/1200709439.db2.gz MFQYZZHDMCFRMM-BDXSIMOUSA-N 1 3 363.506 0.697 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001112548694 1200774576 /nfs/dbraw/zinc/77/45/76/1200774576.db2.gz MGGJUTWLMRUODT-DEYYWGMASA-N 1 3 367.494 0.130 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)COC1(C)C ZINC001219818624 1224634339 /nfs/dbraw/zinc/63/43/39/1224634339.db2.gz HEJGJAUBGFXXGL-UKMLZYKCSA-N 1 3 360.458 0.517 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787109269 1200863201 /nfs/dbraw/zinc/86/32/01/1200863201.db2.gz RDFKFQBRYRXYJV-QGZVFWFLSA-N 1 3 366.506 0.299 20 0 FCADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000788460780 1200961513 /nfs/dbraw/zinc/96/15/13/1200961513.db2.gz PZJJKIHRBQMURI-ROUUACIJSA-N 1 3 374.485 0.344 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129845667 1201404369 /nfs/dbraw/zinc/40/43/69/1201404369.db2.gz RUSKOUCIQJXEQC-CVEARBPZSA-N 1 3 364.494 0.531 20 0 FCADHO COCCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1n1ccnn1 ZINC001129910584 1201423305 /nfs/dbraw/zinc/42/33/05/1201423305.db2.gz ZNJVOIBQDOXUNL-CVEARBPZSA-N 1 3 362.478 0.142 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012140 1201471187 /nfs/dbraw/zinc/47/11/87/1201471187.db2.gz QVCKVRIZIZEYMC-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001130009274 1201477781 /nfs/dbraw/zinc/47/77/81/1201477781.db2.gz GLGZJSZUQLRCTC-IKGGRYGDSA-N 1 3 366.510 0.777 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130047772 1201486372 /nfs/dbraw/zinc/48/63/72/1201486372.db2.gz SGVQPXDYIFFZDE-SJORKVTESA-N 1 3 366.510 0.634 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130136972 1201514224 /nfs/dbraw/zinc/51/42/24/1201514224.db2.gz BVHVVIQJJBJGGM-IKGGRYGDSA-N 1 3 364.494 0.531 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130215699 1201546311 /nfs/dbraw/zinc/54/63/11/1201546311.db2.gz CFVWNTWWNYPOME-DZKIICNBSA-N 1 3 366.510 0.879 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[n-]1 ZINC001130221114 1201550728 /nfs/dbraw/zinc/55/07/28/1201550728.db2.gz VLECJPKLYAVVJZ-KBPBESRZSA-N 1 3 364.494 0.777 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[n-]1 ZINC001130221074 1201550895 /nfs/dbraw/zinc/55/08/95/1201550895.db2.gz SKVZASWCTORFRQ-KBPBESRZSA-N 1 3 364.494 0.776 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[n-]1 ZINC001130237869 1201559879 /nfs/dbraw/zinc/55/98/79/1201559879.db2.gz HITSRUSCWISRCH-KKUMJFAQSA-N 1 3 364.494 0.776 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[n-]1 ZINC001130237869 1201559883 /nfs/dbraw/zinc/55/98/83/1201559883.db2.gz HITSRUSCWISRCH-KKUMJFAQSA-N 1 3 364.494 0.776 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1 ZINC001130305134 1201581355 /nfs/dbraw/zinc/58/13/55/1201581355.db2.gz KSELYTCHZRFDBV-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130307305 1201582028 /nfs/dbraw/zinc/58/20/28/1201582028.db2.gz OUOFGJNJQBUYTA-APWZRJJASA-N 1 3 368.522 0.184 20 0 FCADHO N[C@H]1CCCCN(CC(=O)NCc2cccnc2C2CC[NH2+]CC2)C1=O ZINC001219931781 1224688159 /nfs/dbraw/zinc/68/81/59/1224688159.db2.gz ZRRXGRIAWDRMND-INIZCTEOSA-N 1 3 359.474 0.505 20 0 FCADHO CCn1c(N)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(=O)n(CC)c1=O ZINC001219972034 1224708497 /nfs/dbraw/zinc/70/84/97/1224708497.db2.gz HWBAEJBVJKEJMO-LBPRGKRZSA-N 1 3 368.482 0.066 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672733 1202752145 /nfs/dbraw/zinc/75/21/45/1202752145.db2.gz XQDNEEOKUSZCEW-DOTOQJQBSA-N 1 3 365.522 0.928 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672299 1202752395 /nfs/dbraw/zinc/75/23/95/1202752395.db2.gz LWNZRBSKOBIGKK-XYJFISCASA-N 1 3 363.506 0.825 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130698216 1202758111 /nfs/dbraw/zinc/75/81/11/1202758111.db2.gz FUALMEJUJREPQE-FUHWJXTLSA-N 1 3 365.522 0.809 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001130943857 1202826736 /nfs/dbraw/zinc/82/67/36/1202826736.db2.gz MLDRILNPGDOVQL-BRWVUGGUSA-N 1 3 363.506 0.825 20 0 FCADHO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001131079028 1202859828 /nfs/dbraw/zinc/85/98/28/1202859828.db2.gz AUCJCNSAZKXADT-NUEKZKHPSA-N 1 3 360.462 0.431 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131454219 1202898364 /nfs/dbraw/zinc/89/83/64/1202898364.db2.gz RAJKVVKSDAMWTD-KURKYZTESA-N 1 3 369.506 0.075 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808938258 1202906954 /nfs/dbraw/zinc/90/69/54/1202906954.db2.gz OFNRRKOVZYLIPJ-UHFFFAOYSA-N 1 3 362.430 0.247 20 0 FCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604726 1202918507 /nfs/dbraw/zinc/91/85/07/1202918507.db2.gz DMSSWLWOMMLBPO-KYJSFNMBSA-N 1 3 366.506 0.202 20 0 FCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134129572 1203014692 /nfs/dbraw/zinc/01/46/92/1203014692.db2.gz LGLRCOYSIZEFQS-JQHSSLGASA-N 1 3 360.502 0.952 20 0 FCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129572 1203014694 /nfs/dbraw/zinc/01/46/94/1203014694.db2.gz LGLRCOYSIZEFQS-JQHSSLGASA-N 1 3 360.502 0.952 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[C@@H]1[NH3+] ZINC000817926551 1203126693 /nfs/dbraw/zinc/12/66/93/1203126693.db2.gz MXXWPBWAHPOBIA-AEFFLSMTSA-N 1 3 360.502 0.815 20 0 FCADHO O=C(NCCCCCCN1C(=O)C=CC1=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220127521 1224781500 /nfs/dbraw/zinc/78/15/00/1224781500.db2.gz YBHQSFVWGNKGGP-OAHLLOKOSA-N 1 3 362.474 0.462 20 0 FCADHO O=C(NCCCCCCN1C(=O)C=CC1=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220127521 1224781502 /nfs/dbraw/zinc/78/15/02/1224781502.db2.gz YBHQSFVWGNKGGP-OAHLLOKOSA-N 1 3 362.474 0.462 20 0 FCADHO O=C(NCc1ncn2c1CNCCC2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220311318 1224825442 /nfs/dbraw/zinc/82/54/42/1224825442.db2.gz MDMQGWYQNXYWQT-SFHVURJKSA-N 1 3 372.473 0.622 20 0 FCADHO [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220356935 1224840871 /nfs/dbraw/zinc/84/08/71/1224840871.db2.gz GLBICNKLGUHPJM-NXOAAHMSSA-N 1 3 361.442 0.536 20 0 FCADHO O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357331 1224842511 /nfs/dbraw/zinc/84/25/11/1224842511.db2.gz KJHBANJKHOPUMZ-NXOAAHMSSA-N 1 3 361.442 0.285 20 0 FCADHO COC(=O)C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OC(C)(C)C ZINC001220379398 1224849555 /nfs/dbraw/zinc/84/95/55/1224849555.db2.gz SFMDOFSEVIDOFD-STQMWFEESA-N 1 3 369.462 0.250 20 0 FCADHO COC(=O)C[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(=O)OC(C)(C)C ZINC001220379398 1224849558 /nfs/dbraw/zinc/84/95/58/1224849558.db2.gz SFMDOFSEVIDOFD-STQMWFEESA-N 1 3 369.462 0.250 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220391885 1224854706 /nfs/dbraw/zinc/85/47/06/1224854706.db2.gz QYOMKCYSPYQULC-INIZCTEOSA-N 1 3 364.494 0.425 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735775 1204836825 /nfs/dbraw/zinc/83/68/25/1204836825.db2.gz XIRYGAAWWJGYQF-GLJUWKHASA-N 1 3 362.474 0.056 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735775 1204836826 /nfs/dbraw/zinc/83/68/26/1204836826.db2.gz XIRYGAAWWJGYQF-GLJUWKHASA-N 1 3 362.474 0.056 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743117 1204839804 /nfs/dbraw/zinc/83/98/04/1204839804.db2.gz KIAQXHDZYMQICE-MUKKUYKPSA-N 1 3 362.474 0.056 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743117 1204839805 /nfs/dbraw/zinc/83/98/05/1204839805.db2.gz KIAQXHDZYMQICE-MUKKUYKPSA-N 1 3 362.474 0.056 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009655 1204896981 /nfs/dbraw/zinc/89/69/81/1204896981.db2.gz RCZCYEXFGVQWNS-RYQLBKOJSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009655 1204896982 /nfs/dbraw/zinc/89/69/82/1204896982.db2.gz RCZCYEXFGVQWNS-RYQLBKOJSA-N 1 3 371.489 0.190 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001087059385 1204943966 /nfs/dbraw/zinc/94/39/66/1204943966.db2.gz CEOCENQPFSMFJG-NUJGCVRESA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001087087969 1204976492 /nfs/dbraw/zinc/97/64/92/1204976492.db2.gz DALPVFHSCOOUAJ-VNQPRFMTSA-N 1 3 363.462 0.026 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012887 1205113673 /nfs/dbraw/zinc/11/36/73/1205113673.db2.gz DLGHNTCZPWMHON-QKLQHJQFSA-N 1 3 362.518 0.731 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012887 1205113678 /nfs/dbraw/zinc/11/36/78/1205113678.db2.gz DLGHNTCZPWMHON-QKLQHJQFSA-N 1 3 362.518 0.731 20 0 FCADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3CNCCN3)cc2)CC1 ZINC001220515502 1224899529 /nfs/dbraw/zinc/89/95/29/1224899529.db2.gz DOFYIVNEPABZGX-ARAOSMHQSA-N 1 3 359.474 0.271 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120286 1206026967 /nfs/dbraw/zinc/02/69/67/1206026967.db2.gz FMQWNCSFTDQJSZ-CRAIPNDOSA-N 1 3 364.534 0.881 20 0 FCADHO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@H]2C)n1 ZINC001093993228 1206165652 /nfs/dbraw/zinc/16/56/52/1206165652.db2.gz IIJMYCMCAVKGBQ-BMFZPTHFSA-N 1 3 365.478 0.671 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094241583 1206209726 /nfs/dbraw/zinc/20/97/26/1206209726.db2.gz QLQOFZHUFPBCAA-KYJSFNMBSA-N 1 3 358.486 0.934 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001182684691 1206442148 /nfs/dbraw/zinc/44/21/48/1206442148.db2.gz UQLICGBCQMRBAF-MGPQQGTHSA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001182684691 1206442151 /nfs/dbraw/zinc/44/21/51/1206442151.db2.gz UQLICGBCQMRBAF-MGPQQGTHSA-N 1 3 367.494 0.141 20 0 FCADHO CC(C)[C@H](C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)N(C)C ZINC001183359984 1206452010 /nfs/dbraw/zinc/45/20/10/1206452010.db2.gz MCVNZDOCFTZETN-MRXNPFEDSA-N 1 3 365.478 0.437 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000774814399 1206474727 /nfs/dbraw/zinc/47/47/27/1206474727.db2.gz HYHIZDLKTQUZNO-HZPDHXFCSA-N 1 3 366.506 0.347 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001189055009 1207498586 /nfs/dbraw/zinc/49/85/86/1207498586.db2.gz MJOVACSUSQHLHL-JENIJYKNSA-N 1 3 361.486 0.911 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126644 1207509426 /nfs/dbraw/zinc/50/94/26/1207509426.db2.gz JCGDWNWVBBWVJV-RYQLBKOJSA-N 1 3 366.506 0.014 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126644 1207509431 /nfs/dbraw/zinc/50/94/31/1207509431.db2.gz JCGDWNWVBBWVJV-RYQLBKOJSA-N 1 3 366.506 0.014 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189802094 1207610817 /nfs/dbraw/zinc/61/08/17/1207610817.db2.gz RWTOENPCTJKRIY-DLBZAZTESA-N 1 3 364.494 0.006 20 0 FCADHO CCN1CCN(Cc2ccc(C(=O)n3cnc(C[NH3+])cc3=N)cc2)CC1 ZINC001190857599 1207732542 /nfs/dbraw/zinc/73/25/42/1207732542.db2.gz LSRUHMQFMMJYNI-UHFFFAOYSA-N 1 3 354.458 0.647 20 0 FCADHO CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CC1 ZINC001194038568 1207906733 /nfs/dbraw/zinc/90/67/33/1207906733.db2.gz FDTNNRFSCGCPRX-KURKYZTESA-N 1 3 365.518 0.839 20 0 FCADHO CCN(CC)CC(=O)N1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001273855889 1208434366 /nfs/dbraw/zinc/43/43/66/1208434366.db2.gz YDVLHZASFPFETH-LJQANCHMSA-N 1 3 367.538 0.073 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001488982386 1208599353 /nfs/dbraw/zinc/59/93/53/1208599353.db2.gz UBFDUALTSSMPQQ-BHYGNILZSA-N 1 3 351.495 0.681 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1)N(C)C ZINC001489526535 1208881275 /nfs/dbraw/zinc/88/12/75/1208881275.db2.gz YXPHJZQFEXCLMQ-BRWVUGGUSA-N 1 3 368.522 0.545 20 0 FCADHO CCN(CC)C(=O)N1CCC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001220911640 1225135807 /nfs/dbraw/zinc/13/58/07/1225135807.db2.gz RLLAKOFEBLRTLH-MRXNPFEDSA-N 1 3 365.522 0.903 20 0 FCADHO CCN(CC)C(=O)N1CCC(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001220911640 1225135811 /nfs/dbraw/zinc/13/58/11/1225135811.db2.gz RLLAKOFEBLRTLH-MRXNPFEDSA-N 1 3 365.522 0.903 20 0 FCADHO C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000851883628 1209523260 /nfs/dbraw/zinc/52/32/60/1209523260.db2.gz WSZLQKQAEMYIRJ-IMFGXOCKSA-N 1 3 360.502 0.317 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857244628 1209747713 /nfs/dbraw/zinc/74/77/13/1209747713.db2.gz IYZQAIWVJIBEBV-GHTZIAJQSA-N 1 3 372.513 0.959 20 0 FCADHO COc1ccnc(C2(CNC(=O)[C@H](N)C3CC[NH2+]CC3)CCOCC2)c1 ZINC001220990721 1225177946 /nfs/dbraw/zinc/17/79/46/1225177946.db2.gz WLKVWDHSXYBXBD-QGZVFWFLSA-N 1 3 362.474 0.582 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(F)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000866540868 1209998225 /nfs/dbraw/zinc/99/82/25/1209998225.db2.gz SFVQLDGNDKEIFD-MPTQWLOMSA-N 1 3 366.481 0.522 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(F)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000866540868 1209998229 /nfs/dbraw/zinc/99/82/29/1209998229.db2.gz SFVQLDGNDKEIFD-MPTQWLOMSA-N 1 3 366.481 0.522 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000868302901 1210050931 /nfs/dbraw/zinc/05/09/31/1210050931.db2.gz SCIQNEXBGUDKMS-CALCHBBNSA-N 1 3 373.501 0.616 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)ccc2[nH]c1=O ZINC000877370633 1210444642 /nfs/dbraw/zinc/44/46/42/1210444642.db2.gz DDCWWPCVLWLKRI-IFXJQAMLSA-N 1 3 357.458 0.985 20 0 FCADHO O=C(NCCO)C1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877993535 1210452916 /nfs/dbraw/zinc/45/29/16/1210452916.db2.gz PVCITPLZMWLLGC-FQEVSTJZSA-N 1 3 361.486 0.444 20 0 FCADHO O=C(NCCO)C1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877993535 1210452919 /nfs/dbraw/zinc/45/29/19/1210452919.db2.gz PVCITPLZMWLLGC-FQEVSTJZSA-N 1 3 361.486 0.444 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2cnccn2)CC1 ZINC001221082342 1225214351 /nfs/dbraw/zinc/21/43/51/1225214351.db2.gz QABXFELGCLFZJY-KBPBESRZSA-N 1 3 360.462 0.029 20 0 FCADHO COc1cccc(C2(NC(=O)[C@H](N)CCCNC(N)=O)CC[NH2+]CC2)c1 ZINC001221094319 1225219442 /nfs/dbraw/zinc/21/94/42/1225219442.db2.gz PGCBCUMTLNSSQT-OAHLLOKOSA-N 1 3 363.462 0.166 20 0 FCADHO COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](N)Cc3cncn3C)CC2)c1 ZINC001221091937 1225220013 /nfs/dbraw/zinc/22/00/13/1225220013.db2.gz IAAIIBNMEPDGND-KRWDZBQOSA-N 1 3 357.458 0.775 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)Cn3cc(CCC[NH3+])nn3)cc2)CC1 ZINC000881389822 1210586288 /nfs/dbraw/zinc/58/62/88/1210586288.db2.gz FVPSQIYBUVYRHZ-UHFFFAOYSA-N 1 3 371.489 0.950 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000130582920 1210644902 /nfs/dbraw/zinc/64/49/02/1210644902.db2.gz NAFNFFWXCPBFCT-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883659094 1210681984 /nfs/dbraw/zinc/68/19/84/1210681984.db2.gz WXJCNJGLYOOZRU-UHFFFAOYSA-N 1 3 366.506 0.036 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883659094 1210681988 /nfs/dbraw/zinc/68/19/88/1210681988.db2.gz WXJCNJGLYOOZRU-UHFFFAOYSA-N 1 3 366.506 0.036 20 0 FCADHO C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)CN1CCN(C)CC1 ZINC000884235465 1210726008 /nfs/dbraw/zinc/72/60/08/1210726008.db2.gz VVSHKGMUDNTBDH-MRXNPFEDSA-N 1 3 360.506 0.105 20 0 FCADHO C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000884340523 1210731345 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SZBIUWBOELAWBT-BRWVUGGUSA-N 1 3 364.490 0.053 20 0 FCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059050 1219111783 /nfs/dbraw/zinc/11/17/83/1219111783.db2.gz JWUHPNZQGDQOLK-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070276732 1219343164 /nfs/dbraw/zinc/34/31/64/1219343164.db2.gz XQCMZNDMMZFHRK-IKGGRYGDSA-N 1 3 364.494 0.386 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[n-]1 ZINC001070357332 1219394710 /nfs/dbraw/zinc/39/47/10/1219394710.db2.gz IJUOAXVDVWSZTC-KKUMJFAQSA-N 1 3 364.494 0.777 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)[n-]1 ZINC001070357332 1219394711 /nfs/dbraw/zinc/39/47/11/1219394711.db2.gz IJUOAXVDVWSZTC-KKUMJFAQSA-N 1 3 364.494 0.777 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227899720 1225889881 /nfs/dbraw/zinc/88/98/81/1225889881.db2.gz BRODRWNDPOHATN-ZIAGYGMSSA-N 1 3 367.494 0.333 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2NCc2cccnc2)c1 ZINC001070564150 1219471584 /nfs/dbraw/zinc/47/15/84/1219471584.db2.gz XHLMZPSUJQNMIB-JENIJYKNSA-N 1 3 368.485 0.851 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cccnc2)c1 ZINC001070564150 1219471586 /nfs/dbraw/zinc/47/15/86/1219471586.db2.gz XHLMZPSUJQNMIB-JENIJYKNSA-N 1 3 368.485 0.851 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070697471 1219530062 /nfs/dbraw/zinc/53/00/62/1219530062.db2.gz DWZKYXIENNZFDF-BRWVUGGUSA-N 1 3 363.506 0.559 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719269 1219541343 /nfs/dbraw/zinc/54/13/43/1219541343.db2.gz WPBUUAWAZDXXAZ-BRWVUGGUSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719269 1219541349 /nfs/dbraw/zinc/54/13/49/1219541349.db2.gz WPBUUAWAZDXXAZ-BRWVUGGUSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cccnc1 ZINC001070719125 1219541390 /nfs/dbraw/zinc/54/13/90/1219541390.db2.gz TXLUBBJEWJOSJA-KZNAEPCWSA-N 1 3 368.485 0.851 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cccnc1 ZINC001070719125 1219541395 /nfs/dbraw/zinc/54/13/95/1219541395.db2.gz TXLUBBJEWJOSJA-KZNAEPCWSA-N 1 3 368.485 0.851 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001070718970 1219541462 /nfs/dbraw/zinc/54/14/62/1219541462.db2.gz MZUKBNHYMKYPAV-BZUAXINKSA-N 1 3 367.469 0.242 20 0 FCADHO C[C@H]1CN(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000726259106 1219644548 /nfs/dbraw/zinc/64/45/48/1219644548.db2.gz RCVGNBKSUZHZHH-INIZCTEOSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCc3ccnn3C)CCCO2)CC[N@@H+]1C ZINC001073610908 1219672613 /nfs/dbraw/zinc/67/26/13/1219672613.db2.gz HTSJPLVZSCNYIW-BPQIPLTHSA-N 1 3 363.506 0.510 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCc3ccnn3C)CCCO2)CC[N@H+]1C ZINC001073610908 1219672618 /nfs/dbraw/zinc/67/26/18/1219672618.db2.gz HTSJPLVZSCNYIW-BPQIPLTHSA-N 1 3 363.506 0.510 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001098225194 1219744403 /nfs/dbraw/zinc/74/44/03/1219744403.db2.gz YLDVZQNYMISGNT-VQHPVUNQSA-N 1 3 359.474 0.061 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3nncn3C)C2)C1 ZINC001099500584 1220016319 /nfs/dbraw/zinc/01/63/19/1220016319.db2.gz WWJBHOULLWQCTC-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3nncn3C)C2)C1 ZINC001099500584 1220016326 /nfs/dbraw/zinc/01/63/26/1220016326.db2.gz WWJBHOULLWQCTC-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001228623698 1225936858 /nfs/dbraw/zinc/93/68/58/1225936858.db2.gz HMDKPENGOWESMP-KFWWJZLASA-N 1 3 366.506 0.787 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101417409 1220332243 /nfs/dbraw/zinc/33/22/43/1220332243.db2.gz MWWDJPAYQSUCSP-BEFAXECRSA-N 1 3 364.490 0.258 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101417409 1220332244 /nfs/dbraw/zinc/33/22/44/1220332244.db2.gz MWWDJPAYQSUCSP-BEFAXECRSA-N 1 3 364.490 0.258 20 0 FCADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N1CCCCCC1 ZINC001228924414 1225963541 /nfs/dbraw/zinc/96/35/41/1225963541.db2.gz BPFPIROZBXFSCW-RRFJBIMHSA-N 1 3 367.494 0.463 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982871 1220452914 /nfs/dbraw/zinc/45/29/14/1220452914.db2.gz ORVQWPBHLGDTQP-NRSFXHEJSA-N 1 3 364.534 0.927 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101982871 1220452917 /nfs/dbraw/zinc/45/29/17/1220452917.db2.gz ORVQWPBHLGDTQP-NRSFXHEJSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051817 1220479607 /nfs/dbraw/zinc/47/96/07/1220479607.db2.gz OBFFFOZYMKTYMC-HUUCEWRRSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051817 1220479609 /nfs/dbraw/zinc/47/96/09/1220479609.db2.gz OBFFFOZYMKTYMC-HUUCEWRRSA-N 1 3 364.490 0.304 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108282 1220498885 /nfs/dbraw/zinc/49/88/85/1220498885.db2.gz FCCGDXXESRYDJF-OWCLPIDISA-N 1 3 361.490 0.727 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171333 1220532756 /nfs/dbraw/zinc/53/27/56/1220532756.db2.gz RXZOPPUYYTZQSN-MJQPBPLVSA-N 1 3 365.518 0.959 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171333 1220532760 /nfs/dbraw/zinc/53/27/60/1220532760.db2.gz RXZOPPUYYTZQSN-MJQPBPLVSA-N 1 3 365.518 0.959 20 0 FCADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213312 1220555314 /nfs/dbraw/zinc/55/53/14/1220555314.db2.gz APGNXOVEPRCTEV-MGPQQGTHSA-N 1 3 367.494 0.128 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368338 1220595737 /nfs/dbraw/zinc/59/57/37/1220595737.db2.gz PXTUVDHDGUADMQ-SOLBZPMBSA-N 1 3 368.522 0.308 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368338 1220595746 /nfs/dbraw/zinc/59/57/46/1220595746.db2.gz PXTUVDHDGUADMQ-SOLBZPMBSA-N 1 3 368.522 0.308 20 0 FCADHO CCn1nnc(C)c1CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511090 1220670490 /nfs/dbraw/zinc/67/04/90/1220670490.db2.gz IUIUYEWOIRBDLW-GDBMZVCRSA-N 1 3 366.510 0.369 20 0 FCADHO CC(C)CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514470 1220673740 /nfs/dbraw/zinc/67/37/40/1220673740.db2.gz YGFXELUAIYCMMR-IXDOHACOSA-N 1 3 364.534 0.927 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102977177 1220814866 /nfs/dbraw/zinc/81/48/66/1220814866.db2.gz PTBQLKGOSVSXSM-KFWWJZLASA-N 1 3 367.494 0.128 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102977177 1220814869 /nfs/dbraw/zinc/81/48/69/1220814869.db2.gz PTBQLKGOSVSXSM-KFWWJZLASA-N 1 3 367.494 0.128 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103111862 1220835735 /nfs/dbraw/zinc/83/57/35/1220835735.db2.gz RMXXVGQWYINTKI-ZACQAIPSSA-N 1 3 367.538 0.672 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103111862 1220835736 /nfs/dbraw/zinc/83/57/36/1220835736.db2.gz RMXXVGQWYINTKI-ZACQAIPSSA-N 1 3 367.538 0.672 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)N(C)C ZINC001103140065 1220840050 /nfs/dbraw/zinc/84/00/50/1220840050.db2.gz LLPMPIWHEFYTKZ-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)N(C)C ZINC001103140065 1220840054 /nfs/dbraw/zinc/84/00/54/1220840054.db2.gz LLPMPIWHEFYTKZ-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380447 1220874193 /nfs/dbraw/zinc/87/41/93/1220874193.db2.gz XEBQFNMHERQUCZ-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396639 1220877156 /nfs/dbraw/zinc/87/71/56/1220877156.db2.gz BRSPFPMWIUXGEM-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103665841 1220934108 /nfs/dbraw/zinc/93/41/08/1220934108.db2.gz WIGOUUQACIQZIR-KURKYZTESA-N 1 3 365.522 0.660 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103665841 1220934115 /nfs/dbraw/zinc/93/41/15/1220934115.db2.gz WIGOUUQACIQZIR-KURKYZTESA-N 1 3 365.522 0.660 20 0 FCADHO COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719272 1220952315 /nfs/dbraw/zinc/95/23/15/1220952315.db2.gz XIAKOJKHZKPQBQ-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719272 1220952319 /nfs/dbraw/zinc/95/23/19/1220952319.db2.gz XIAKOJKHZKPQBQ-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722433 1220952617 /nfs/dbraw/zinc/95/26/17/1220952617.db2.gz NCHNFWYIRVPUOZ-IAGOWNOFSA-N 1 3 368.522 0.309 20 0 FCADHO COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722433 1220952620 /nfs/dbraw/zinc/95/26/20/1220952620.db2.gz NCHNFWYIRVPUOZ-IAGOWNOFSA-N 1 3 368.522 0.309 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103723591 1220952840 /nfs/dbraw/zinc/95/28/40/1220952840.db2.gz SLFWXDAFBAMFLM-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103723591 1220952849 /nfs/dbraw/zinc/95/28/49/1220952849.db2.gz SLFWXDAFBAMFLM-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751645 1220964073 /nfs/dbraw/zinc/96/40/73/1220964073.db2.gz KTWHHXJJPIIBNZ-HUUCEWRRSA-N 1 3 367.494 0.132 20 0 FCADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118218443 1221736095 /nfs/dbraw/zinc/73/60/95/1221736095.db2.gz GWRIQWGZQXNVPU-INIZCTEOSA-N 1 3 362.478 0.576 20 0 FCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001119296125 1221898135 /nfs/dbraw/zinc/89/81/35/1221898135.db2.gz MLVDNFOAQBVKBV-ICSRJNTNSA-N 1 3 360.502 0.817 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001119414611 1221913933 /nfs/dbraw/zinc/91/39/33/1221913933.db2.gz JDVSNSGUBUHOTK-KRWDZBQOSA-N 1 3 356.470 0.560 20 0 FCADHO C(N1CC[C@@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999373 /nfs/dbraw/zinc/99/93/73/1221999373.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 1 3 368.474 0.393 20 0 FCADHO C(N1CC[C@@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999375 /nfs/dbraw/zinc/99/93/75/1221999375.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 1 3 368.474 0.393 20 0 FCADHO C(N1CC[C@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999380 /nfs/dbraw/zinc/99/93/80/1221999380.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 1 3 368.474 0.393 20 0 FCADHO C(N1CC[C@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913800 1221999383 /nfs/dbraw/zinc/99/93/83/1221999383.db2.gz UHGZCKZVYTWZHN-IYBDPMFKSA-N 1 3 368.474 0.393 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000841183019 1222812438 /nfs/dbraw/zinc/81/24/38/1222812438.db2.gz QPZPBBIWVCRPAH-KRWDZBQOSA-N 1 3 361.490 0.867 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000841200534 1222813196 /nfs/dbraw/zinc/81/31/96/1222813196.db2.gz OXLQVEINHNFITN-CVEARBPZSA-N 1 3 373.501 0.963 20 0 FCADHO CN1CCN(CCC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001143230115 1222871718 /nfs/dbraw/zinc/87/17/18/1222871718.db2.gz DGHVCCCMRJSTES-UHFFFAOYSA-N 1 3 371.485 0.480 20 0 FCADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCOc1ccc2c(c1)OCO2 ZINC000843363974 1222873923 /nfs/dbraw/zinc/87/39/23/1222873923.db2.gz ZOVAZTFKRCQZHF-UHFFFAOYSA-N 1 3 361.442 0.986 20 0 FCADHO CCOC(=O)[C@@H]1CN(CCN(C)C)C(=O)C12CC[NH+](C[C@H](O)CC)CC2 ZINC001277712490 1226167635 /nfs/dbraw/zinc/16/76/35/1226167635.db2.gz IGLTWEGYCMLUHN-CVEARBPZSA-N 1 3 369.506 0.423 20 0 FCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119928 1223089677 /nfs/dbraw/zinc/08/96/77/1223089677.db2.gz JMAXKMRSPRMJNY-PKOBYXMFSA-N 1 3 360.433 0.024 20 0 FCADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118618 1223089741 /nfs/dbraw/zinc/08/97/41/1223089741.db2.gz BYIIQHXGUVIUDN-LLGFUMIMSA-N 1 3 368.481 0.808 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715355 1223106304 /nfs/dbraw/zinc/10/63/04/1223106304.db2.gz IYQMVJHIGMTRKS-CUSZFKRNSA-N 1 3 366.506 0.365 20 0 FCADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C2 ZINC001158789006 1223109363 /nfs/dbraw/zinc/10/93/63/1223109363.db2.gz CLFWGZYIHMFEQQ-GJZGRUSLSA-N 1 3 366.510 0.866 20 0 FCADHO CC(C)N(C(=O)[C@@H](C)N)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871880 1223111609 /nfs/dbraw/zinc/11/16/09/1223111609.db2.gz WWZFCBZGWVNZJN-CYBMUJFWSA-N 1 3 362.478 0.090 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927044 1223112752 /nfs/dbraw/zinc/11/27/52/1223112752.db2.gz WAAWOBRAPMCZJE-APWZRJJASA-N 1 3 362.449 0.843 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927051 1223112980 /nfs/dbraw/zinc/11/29/80/1223112980.db2.gz WAAWOBRAPMCZJE-VQIMIIECSA-N 1 3 362.449 0.843 20 0 FCADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001159133922 1223118500 /nfs/dbraw/zinc/11/85/00/1223118500.db2.gz LAUYPAUGVYLAKE-CEXWTWQISA-N 1 3 372.517 0.007 20 0 FCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)[C@@H]2C ZINC001159632993 1223132041 /nfs/dbraw/zinc/13/20/41/1223132041.db2.gz DVKVASBCFUYOKB-CLCXKQKWSA-N 1 3 360.506 0.578 20 0 FCADHO N[C@H](C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2)C1CC[NH2+]CC1 ZINC001159677072 1223133464 /nfs/dbraw/zinc/13/34/64/1223133464.db2.gz DABYGBBYSNZUDK-SFHVURJKSA-N 1 3 373.501 0.606 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159701502 1223134596 /nfs/dbraw/zinc/13/45/96/1223134596.db2.gz YDLZYBLOCPLDPC-SJORKVTESA-N 1 3 358.486 0.965 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159751533 1223135774 /nfs/dbraw/zinc/13/57/74/1223135774.db2.gz RIYCGRYELONGAA-ARFHVFGLSA-N 1 3 364.421 0.225 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001160050302 1223143325 /nfs/dbraw/zinc/14/33/25/1223143325.db2.gz VLOOVCBJEYSYCS-ZIFCJYIRSA-N 1 3 362.474 0.530 20 0 FCADHO N[C@@H](C(=O)N1CCc2onc(COc3ccccn3)c2C1)C1CC[NH2+]CC1 ZINC001160177890 1223147902 /nfs/dbraw/zinc/14/79/02/1223147902.db2.gz AIDVWKPQEPADMR-GOSISDBHSA-N 1 3 371.441 0.860 20 0 FCADHO N[C@H](C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415365 1223158447 /nfs/dbraw/zinc/15/84/47/1223158447.db2.gz SGQRAVBHLMPBQB-LPHOPBHVSA-N 1 3 372.473 0.149 20 0 FCADHO N[C@@H](C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001160443969 1223159888 /nfs/dbraw/zinc/15/98/88/1223159888.db2.gz SDLOTPPWUUHVEI-LJQANCHMSA-N 1 3 356.470 0.894 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160523448 1223163592 /nfs/dbraw/zinc/16/35/92/1223163592.db2.gz BYZKSDBDWBQYLJ-BZSNNMDCSA-N 1 3 373.501 0.845 20 0 FCADHO N[C@H](C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C1CCC(O)CC1 ZINC001160589354 1223165829 /nfs/dbraw/zinc/16/58/29/1223165829.db2.gz PMAFGZKGWOPISV-KVULBXGLSA-N 1 3 372.469 0.721 20 0 FCADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160613054 1223166540 /nfs/dbraw/zinc/16/65/40/1223166540.db2.gz MCIOBBJUHIYEBA-SJORKVTESA-N 1 3 370.497 0.664 20 0 FCADHO O=C(N1CCN(c2ccc3n[nH]cc3c2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160674484 1223167895 /nfs/dbraw/zinc/16/78/95/1223167895.db2.gz OYFLQJCKCLTAEM-DNVCBOLYSA-N 1 3 354.458 0.411 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C1=O ZINC001160781988 1223172379 /nfs/dbraw/zinc/17/23/79/1223172379.db2.gz YEYLVUUVDQOFCZ-UWVAXJGDSA-N 1 3 356.470 0.326 20 0 FCADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160825136 1223176095 /nfs/dbraw/zinc/17/60/95/1223176095.db2.gz VSFVUQHEYFSZPX-ZFWWWQNUSA-N 1 3 361.446 0.273 20 0 FCADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160825136 1223176098 /nfs/dbraw/zinc/17/60/98/1223176098.db2.gz VSFVUQHEYFSZPX-ZFWWWQNUSA-N 1 3 361.446 0.273 20 0 FCADHO CO[C@@H](CN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1)c1ccccc1 ZINC001160904452 1223180497 /nfs/dbraw/zinc/18/04/97/1223180497.db2.gz GJYAZLGVERONRY-ROUUACIJSA-N 1 3 358.486 0.327 20 0 FCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915570 1223180579 /nfs/dbraw/zinc/18/05/79/1223180579.db2.gz DFMSRSDHRIOBAS-MRXNPFEDSA-N 1 3 369.425 0.632 20 0 FCADHO CC1(C)N(C(=O)[C@H]2C[NH2+]CC23CNC3)CC[C@]12c1ccccc1OC2=O ZINC001161160874 1223187919 /nfs/dbraw/zinc/18/79/19/1223187919.db2.gz IKFOEJIIIMXOGJ-JLTOFOAXSA-N 1 3 355.438 0.663 20 0 FCADHO NC[C@H](N)C(=O)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001161172821 1223188367 /nfs/dbraw/zinc/18/83/67/1223188367.db2.gz VPAVPFCOOMCEQW-IBGZPJMESA-N 1 3 360.502 0.945 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N(C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc(=O)oc2c1 ZINC001161222115 1223189721 /nfs/dbraw/zinc/18/97/21/1223189721.db2.gz VVUBPEVDGIIVBG-JTOWHCCKSA-N 1 3 357.410 0.348 20 0 FCADHO COC(=O)[C@H]1Cc2cc(NCCCN3CCN(C)CC3)cnc2NC1=O ZINC001161708955 1223207333 /nfs/dbraw/zinc/20/73/33/1223207333.db2.gz ZOYFQKPLVJQHLR-HNNXBMFYSA-N 1 3 361.446 0.415 20 0 FCADHO C[NH+]1CCN(c2cccc(N3CC([C@H](N)C(=O)OC(C)(C)C)C3)n2)CC1 ZINC001163118828 1223226610 /nfs/dbraw/zinc/22/66/10/1223226610.db2.gz DJHYZWHWWBFQCN-KRWDZBQOSA-N 1 3 361.490 0.939 20 0 FCADHO COc1ccc(CN2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)nc1 ZINC001276542881 1223463336 /nfs/dbraw/zinc/46/33/36/1223463336.db2.gz HDITUEWJWOCUHH-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCN(C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609706 1223561763 /nfs/dbraw/zinc/56/17/63/1223561763.db2.gz WBYFYIOLDJWRRD-YLFCFFPRSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCN(C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609706 1223561769 /nfs/dbraw/zinc/56/17/69/1223561769.db2.gz WBYFYIOLDJWRRD-YLFCFFPRSA-N 1 3 361.490 0.724 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676317 1223569423 /nfs/dbraw/zinc/56/94/23/1223569423.db2.gz MMJANSNHUKBEOL-KBAYOESNSA-N 1 3 360.502 0.861 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676317 1223569426 /nfs/dbraw/zinc/56/94/26/1223569426.db2.gz MMJANSNHUKBEOL-KBAYOESNSA-N 1 3 360.502 0.861 20 0 FCADHO Nc1cc[nH+]cc1CN1CCC[C@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734050 1223646083 /nfs/dbraw/zinc/64/60/83/1223646083.db2.gz KUXKSOFANPRDDQ-PKOBYXMFSA-N 1 3 360.458 0.724 20 0 FCADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309338 1223734234 /nfs/dbraw/zinc/73/42/34/1223734234.db2.gz AJUMWMYPRWGBCU-KZNAEPCWSA-N 1 3 371.522 0.323 20 0 FCADHO CO[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730040 1223840310 /nfs/dbraw/zinc/84/03/10/1223840310.db2.gz BWRZLEXDDOKAKV-FGTMMUONSA-N 1 3 371.522 0.321 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001214780317 1223941864 /nfs/dbraw/zinc/94/18/64/1223941864.db2.gz UZHSDRXOQLFDPE-KFWWJZLASA-N 1 3 367.494 0.143 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001214780317 1223941866 /nfs/dbraw/zinc/94/18/66/1223941866.db2.gz UZHSDRXOQLFDPE-KFWWJZLASA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214847820 1223947923 /nfs/dbraw/zinc/94/79/23/1223947923.db2.gz UFHQQOUSPHDNNP-GDBMZVCRSA-N 1 3 362.474 0.817 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1NCC(=O)NC1CC1 ZINC001215015132 1223964505 /nfs/dbraw/zinc/96/45/05/1223964505.db2.gz IKMIFTLVOYOQLO-RHSMWYFYSA-N 1 3 359.474 0.623 20 0 FCADHO CCOCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423989 1223999151 /nfs/dbraw/zinc/99/91/51/1223999151.db2.gz ZUCGZAYOWRMRAK-IXDOHACOSA-N 1 3 370.538 0.696 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215453713 1223999919 /nfs/dbraw/zinc/99/99/19/1223999919.db2.gz OPJPPKMRBCQVOQ-HYVNUMGLSA-N 1 3 366.506 0.060 20 0 FCADHO COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453744 1224000191 /nfs/dbraw/zinc/00/01/91/1224000191.db2.gz PTNDLQMOCHAERE-BFYDXBDKSA-N 1 3 368.522 0.306 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215539867 1224005436 /nfs/dbraw/zinc/00/54/36/1224005436.db2.gz AXHIRINLMACRPZ-ZXYWRSMDSA-N 1 3 368.497 0.914 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563841 1224006380 /nfs/dbraw/zinc/00/63/80/1224006380.db2.gz RYLMCDDNVAIXGN-ZIAGYGMSSA-N 1 3 369.510 0.247 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215977026 1224027893 /nfs/dbraw/zinc/02/78/93/1224027893.db2.gz BTJURFOAMCTJIC-RBSFLKMASA-N 1 3 369.510 0.518 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001216382821 1224047481 /nfs/dbraw/zinc/04/74/81/1224047481.db2.gz DJHDUNPQWMASEE-BFYDXBDKSA-N 1 3 362.474 0.674 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001216382821 1224047482 /nfs/dbraw/zinc/04/74/82/1224047482.db2.gz DJHDUNPQWMASEE-BFYDXBDKSA-N 1 3 362.474 0.674 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCc1cccc(C(N)=O)c1 ZINC001216402025 1224048629 /nfs/dbraw/zinc/04/86/29/1224048629.db2.gz SLWXABJVRRATNV-RHSMWYFYSA-N 1 3 362.474 0.300 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216507502 1224053521 /nfs/dbraw/zinc/05/35/21/1224053521.db2.gz YGBPJLJHYBNSPB-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216507502 1224053524 /nfs/dbraw/zinc/05/35/24/1224053524.db2.gz YGBPJLJHYBNSPB-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1 ZINC001216515430 1224054489 /nfs/dbraw/zinc/05/44/89/1224054489.db2.gz PYRFFDZXTLZPAH-IAGOWNOFSA-N 1 3 370.538 0.696 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752432 1224068345 /nfs/dbraw/zinc/06/83/45/1224068345.db2.gz OMPMEPFODAMRJQ-BPLDGKMQSA-N 1 3 362.478 0.055 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752432 1224068349 /nfs/dbraw/zinc/06/83/49/1224068349.db2.gz OMPMEPFODAMRJQ-BPLDGKMQSA-N 1 3 362.478 0.055 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752891 1224068398 /nfs/dbraw/zinc/06/83/98/1224068398.db2.gz ZABDYOUKZAICIX-BRWVUGGUSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752891 1224068400 /nfs/dbraw/zinc/06/84/00/1224068400.db2.gz ZABDYOUKZAICIX-BRWVUGGUSA-N 1 3 368.522 0.306 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834049 1224076667 /nfs/dbraw/zinc/07/66/67/1224076667.db2.gz HZPJEJWZYZSILV-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844623 1224078710 /nfs/dbraw/zinc/07/87/10/1224078710.db2.gz HAJZFQLYPZPQRQ-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001277720057 1226172625 /nfs/dbraw/zinc/17/26/25/1226172625.db2.gz ULIZXEPYJFIXSB-CMKODMSKSA-N 1 3 361.486 0.219 20 0 FCADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001277720057 1226172628 /nfs/dbraw/zinc/17/26/28/1226172628.db2.gz ULIZXEPYJFIXSB-CMKODMSKSA-N 1 3 361.486 0.219 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848614825 1245375832 /nfs/dbraw/zinc/37/58/32/1245375832.db2.gz YGWNHYIWPILXFR-MSOLQXFVSA-N 1 3 358.486 0.937 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(C3)CCNC(=O)O4)CC2)CC1 ZINC000888414857 1245445909 /nfs/dbraw/zinc/44/59/09/1245445909.db2.gz PBGGSVHJOKPJNH-UHFFFAOYSA-N 1 3 364.490 0.894 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517089 1245504314 /nfs/dbraw/zinc/50/43/14/1245504314.db2.gz HAHAKXARYSMBJR-FSPWUOQZSA-N 1 3 358.486 0.916 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000911518279 1245505776 /nfs/dbraw/zinc/50/57/76/1245505776.db2.gz RRNNKBJRAUHWPE-KBAYOESNSA-N 1 3 356.470 0.814 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@H]32)CC[N@@H+]1C ZINC000976611825 1248294293 /nfs/dbraw/zinc/29/42/93/1248294293.db2.gz UWDKXMMXHZPURI-WMOPWKTHSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@H]32)CC[N@H+]1C ZINC000976611825 1248294298 /nfs/dbraw/zinc/29/42/98/1248294298.db2.gz UWDKXMMXHZPURI-WMOPWKTHSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nc[nH]c2C)CC[N@@H+]1C ZINC000976924784 1248471530 /nfs/dbraw/zinc/47/15/30/1248471530.db2.gz FFIKASOEOYGGHA-JQONLHTASA-N 1 3 359.474 0.564 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nc[nH]c2C)CC[N@H+]1C ZINC000976924784 1248471533 /nfs/dbraw/zinc/47/15/33/1248471533.db2.gz FFIKASOEOYGGHA-JQONLHTASA-N 1 3 359.474 0.564 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC000977195961 1248566635 /nfs/dbraw/zinc/56/66/35/1248566635.db2.gz JYCXZJZNVVUKMO-SQZHQNNWSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC000977195961 1248566643 /nfs/dbraw/zinc/56/66/43/1248566643.db2.gz JYCXZJZNVVUKMO-SQZHQNNWSA-N 1 3 362.518 0.774 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)N(C)C ZINC000994336710 1250384732 /nfs/dbraw/zinc/38/47/32/1250384732.db2.gz VTILHCYNOLIYHI-ZACQAIPSSA-N 1 3 364.534 0.879 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001518771848 1265679990 /nfs/dbraw/zinc/67/99/90/1265679990.db2.gz BUXLXCXHDXYCJR-QBPKDAKJSA-N 1 3 369.554 0.808 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001518771848 1265679997 /nfs/dbraw/zinc/67/99/97/1265679997.db2.gz BUXLXCXHDXYCJR-QBPKDAKJSA-N 1 3 369.554 0.808 20 0 FCADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004284960 1253274051 /nfs/dbraw/zinc/27/40/51/1253274051.db2.gz KTURLZZXTPJBGU-NCOADZHNSA-N 1 3 360.502 0.957 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN([C@H]4CCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035187535 1254017508 /nfs/dbraw/zinc/01/75/08/1254017508.db2.gz ZMXZBCNNADMIIB-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN([C@H]4CCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035187535 1254017519 /nfs/dbraw/zinc/01/75/19/1254017519.db2.gz ZMXZBCNNADMIIB-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CN(C)C(C)C)CC[N@@H+]1C ZINC001061622121 1254195138 /nfs/dbraw/zinc/19/51/38/1254195138.db2.gz MBZWGHDYFQNGAL-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CN(C)C(C)C)CC[N@H+]1C ZINC001061622121 1254195143 /nfs/dbraw/zinc/19/51/43/1254195143.db2.gz MBZWGHDYFQNGAL-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CN(CC)CC)CCO2)CC[N@@H+]1C ZINC001065178520 1254479462 /nfs/dbraw/zinc/47/94/62/1254479462.db2.gz UCCTXDZQBGVBBU-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CN(CC)CC)CCO2)CC[N@H+]1C ZINC001065178520 1254479468 /nfs/dbraw/zinc/47/94/68/1254479468.db2.gz UCCTXDZQBGVBBU-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cn1 ZINC001075798719 1254619981 /nfs/dbraw/zinc/61/99/81/1254619981.db2.gz LTOIYKULSOQCRO-GBESFXJTSA-N 1 3 357.502 0.837 20 0 FCADHO Cn1nnc2c1C[C@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC001329958307 1265907571 /nfs/dbraw/zinc/90/75/71/1265907571.db2.gz ZTZBGQBHBXWCDS-CQSZACIVSA-N 1 3 360.506 0.595 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)cn1 ZINC001077818519 1255019246 /nfs/dbraw/zinc/01/92/46/1255019246.db2.gz ZVGBDCNBOJHVNO-QZTJIDSGSA-N 1 3 363.506 0.800 20 0 FCADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405379 1255408600 /nfs/dbraw/zinc/40/86/00/1255408600.db2.gz LXABYWJZTYPHET-FHLIZLRMSA-N 1 3 361.490 0.832 20 0 FCADHO Cc1ncc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405379 1255408603 /nfs/dbraw/zinc/40/86/03/1255408603.db2.gz LXABYWJZTYPHET-FHLIZLRMSA-N 1 3 361.490 0.832 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213950 1256207662 /nfs/dbraw/zinc/20/76/62/1256207662.db2.gz XCBCKOQHENRFHD-HYVNUMGLSA-N 1 3 356.470 0.540 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082557127 1256852006 /nfs/dbraw/zinc/85/20/06/1256852006.db2.gz PRNJBYNLPQGXGU-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082822172 1257081157 /nfs/dbraw/zinc/08/11/57/1257081157.db2.gz ORTHVLJJYAURIT-IAGOWNOFSA-N 1 3 366.506 0.014 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)CN1CCN(C)CC1 ZINC001521503676 1266128842 /nfs/dbraw/zinc/12/88/42/1266128842.db2.gz JZIQDDPAQKNQHL-ZJPYXAASSA-N 1 3 352.523 0.533 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937051 1257722759 /nfs/dbraw/zinc/72/27/59/1257722759.db2.gz KFRMIEVHOGTMLU-QRQLOZEOSA-N 1 3 365.518 0.696 20 0 FCADHO COc1cccc(CCCN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053834 1257866073 /nfs/dbraw/zinc/86/60/73/1257866073.db2.gz MSUMOPRGSOHFOF-QRQLOZEOSA-N 1 3 361.486 0.741 20 0 FCADHO COc1cccc(CCCN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053834 1257866081 /nfs/dbraw/zinc/86/60/81/1257866081.db2.gz MSUMOPRGSOHFOF-QRQLOZEOSA-N 1 3 361.486 0.741 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775761 1258318212 /nfs/dbraw/zinc/31/82/12/1258318212.db2.gz TVHAQDSJQOWRGV-KZNAEPCWSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775761 1258318220 /nfs/dbraw/zinc/31/82/20/1258318220.db2.gz TVHAQDSJQOWRGV-KZNAEPCWSA-N 1 3 362.518 0.873 20 0 FCADHO O=C(N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076135 1258571966 /nfs/dbraw/zinc/57/19/66/1258571966.db2.gz MCZSIZCYEWUVHM-CVEARBPZSA-N 1 3 361.490 0.030 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658167 1258810552 /nfs/dbraw/zinc/81/05/52/1258810552.db2.gz KBYRQXJEYGCXCE-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658167 1258810557 /nfs/dbraw/zinc/81/05/57/1258810557.db2.gz KBYRQXJEYGCXCE-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722111 1258819432 /nfs/dbraw/zinc/81/94/32/1258819432.db2.gz VOHPDDAWTRJXAB-BRWVUGGUSA-N 1 3 362.518 0.825 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106662992 1258936257 /nfs/dbraw/zinc/93/62/57/1258936257.db2.gz MHOXXMTUVDZOAD-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672865 1258938038 /nfs/dbraw/zinc/93/80/38/1258938038.db2.gz MKUZTSHPMVDQJJ-ZIAGYGMSSA-N 1 3 369.510 0.104 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001106785075 1258963742 /nfs/dbraw/zinc/96/37/42/1258963742.db2.gz WGSMFKUTLGYHST-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001107039431 1259022203 /nfs/dbraw/zinc/02/22/03/1259022203.db2.gz RJQGCXYQXXVMCJ-HZPDHXFCSA-N 1 3 364.490 0.920 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001107037243 1259022589 /nfs/dbraw/zinc/02/25/89/1259022589.db2.gz YNIOBWBEWULVBF-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NC1CC1)CC2)C1CC1 ZINC001107439358 1259089333 /nfs/dbraw/zinc/08/93/33/1259089333.db2.gz XJBNJZBKVXHDMM-YVWKXTFCSA-N 1 3 362.518 0.966 20 0 FCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571662 1259181641 /nfs/dbraw/zinc/18/16/41/1259181641.db2.gz WNRXVLAACPCFAZ-MSOLQXFVSA-N 1 3 363.506 0.681 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001127707238 1259184872 /nfs/dbraw/zinc/18/48/72/1259184872.db2.gz WTMRFMIEHFXZBR-SOUVJXGZSA-N 1 3 369.510 0.293 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001127707238 1259184875 /nfs/dbraw/zinc/18/48/75/1259184875.db2.gz WTMRFMIEHFXZBR-SOUVJXGZSA-N 1 3 369.510 0.293 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)Nc2ccccc2)CC[N@@H+]1C ZINC001127690525 1259185286 /nfs/dbraw/zinc/18/52/86/1259185286.db2.gz MGSODPLLWGGLCK-UKRRQHHQSA-N 1 3 361.446 0.381 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)Nc2ccccc2)CC[N@H+]1C ZINC001127690525 1259185289 /nfs/dbraw/zinc/18/52/89/1259185289.db2.gz MGSODPLLWGGLCK-UKRRQHHQSA-N 1 3 361.446 0.381 20 0 FCADHO CCCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538027 1259415917 /nfs/dbraw/zinc/41/59/17/1259415917.db2.gz VVAPRSMAPJOMSO-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CCCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538027 1259415924 /nfs/dbraw/zinc/41/59/24/1259415924.db2.gz VVAPRSMAPJOMSO-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200554092 1259416797 /nfs/dbraw/zinc/41/67/97/1259416797.db2.gz FKHDKHRBLGEJBG-YESZJQIVSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200554092 1259416800 /nfs/dbraw/zinc/41/68/00/1259416800.db2.gz FKHDKHRBLGEJBG-YESZJQIVSA-N 1 3 366.506 0.202 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001211669277 1259426400 /nfs/dbraw/zinc/42/64/00/1259426400.db2.gz RFJDLYOXSKWLMS-RCCFBDPRSA-N 1 3 358.486 0.801 20 0 FCADHO CO[C@@H]1CN(CCC[C@H](C)O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495596 1259525693 /nfs/dbraw/zinc/52/56/93/1259525693.db2.gz KRHCVTFFWHPDOD-CGTJXYLNSA-N 1 3 364.490 0.884 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3cccc(C(N)=O)c3)CC[C@@H]2C1 ZINC001237693217 1259608296 /nfs/dbraw/zinc/60/82/96/1259608296.db2.gz PKXJMGFHCFQRQL-QZTJIDSGSA-N 1 3 374.485 0.396 20 0 FCADHO CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3cccc(C(N)=O)c3)CC[C@@H]2C1 ZINC001237693217 1259608303 /nfs/dbraw/zinc/60/83/03/1259608303.db2.gz PKXJMGFHCFQRQL-QZTJIDSGSA-N 1 3 374.485 0.396 20 0 FCADHO CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3cccc(C(N)=O)c3)CC[C@@H]2C1 ZINC001237693217 1259608312 /nfs/dbraw/zinc/60/83/12/1259608312.db2.gz PKXJMGFHCFQRQL-QZTJIDSGSA-N 1 3 374.485 0.396 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1=O ZINC001335369740 1259629155 /nfs/dbraw/zinc/62/91/55/1259629155.db2.gz HOCZGQLZNJWLST-YLFCFFPRSA-N 1 3 350.507 0.585 20 0 FCADHO CCN1CCN([C@@H](C)C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384623 1259636909 /nfs/dbraw/zinc/63/69/09/1259636909.db2.gz PEJSOCPYJUTOIH-MAUKXSAKSA-N 1 3 369.531 0.739 20 0 FCADHO COc1cccc(C(=O)N2CCC([NH2+]CCCC[C@H](N)C(N)=O)CC2)c1 ZINC001246420731 1259652903 /nfs/dbraw/zinc/65/29/03/1259652903.db2.gz ZTXCMMMYNHXFOI-KRWDZBQOSA-N 1 3 362.474 0.872 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733008 1259673745 /nfs/dbraw/zinc/67/37/45/1259673745.db2.gz CPGWSPWJAUNENH-YIOZNXECSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733008 1259673749 /nfs/dbraw/zinc/67/37/49/1259673749.db2.gz CPGWSPWJAUNENH-YIOZNXECSA-N 1 3 358.490 0.634 20 0 FCADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744827 1259677139 /nfs/dbraw/zinc/67/71/39/1259677139.db2.gz LTVVCOONFRCBAF-WOCWXWTJSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744827 1259677146 /nfs/dbraw/zinc/67/71/46/1259677146.db2.gz LTVVCOONFRCBAF-WOCWXWTJSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246851434 1259690151 /nfs/dbraw/zinc/69/01/51/1259690151.db2.gz GBYXZTUWRXVYGR-TYILLQQXSA-N 1 3 374.489 0.416 20 0 FCADHO COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920233 1259696065 /nfs/dbraw/zinc/69/60/65/1259696065.db2.gz DHOPMUSNGHSISE-MOPGFXCFSA-N 1 3 372.513 0.830 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CNc1cc(N2CCN(CCO)CC2)nc(C)n1 ZINC001253176634 1259826171 /nfs/dbraw/zinc/82/61/71/1259826171.db2.gz LKEFYIRKQDNCRC-INIZCTEOSA-N 1 3 366.510 0.014 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001253212302 1259831001 /nfs/dbraw/zinc/83/10/01/1259831001.db2.gz IBSZSDJBLLGPNQ-HNNXBMFYSA-N 1 3 372.510 0.358 20 0 FCADHO O=C1COCC2(CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)N1 ZINC001254036413 1259868875 /nfs/dbraw/zinc/86/88/75/1259868875.db2.gz MZVDJVGMCVIPBI-UHFFFAOYSA-N 1 3 373.497 0.995 20 0 FCADHO C[N@@H+]1CC[C@@](O)(CNC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999317 1259937318 /nfs/dbraw/zinc/93/73/18/1259937318.db2.gz DSDZZGWEGDTRAE-ZWKOTPCHSA-N 1 3 357.495 0.795 20 0 FCADHO C[N@H+]1CC[C@@](O)(CNC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999317 1259937325 /nfs/dbraw/zinc/93/73/25/1259937325.db2.gz DSDZZGWEGDTRAE-ZWKOTPCHSA-N 1 3 357.495 0.795 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258373394 1260047333 /nfs/dbraw/zinc/04/73/33/1260047333.db2.gz HNUGBILHKQRGAM-IRXDYDNUSA-N 1 3 367.538 0.071 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001258373395 1260047745 /nfs/dbraw/zinc/04/77/45/1260047745.db2.gz HNUGBILHKQRGAM-SJORKVTESA-N 1 3 367.538 0.071 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273839 1260063662 /nfs/dbraw/zinc/06/36/62/1260063662.db2.gz VFPKWXWNOBKXEE-HOTGVXAUSA-N 1 3 351.495 0.467 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)CC2)CC1 ZINC001336316427 1260079864 /nfs/dbraw/zinc/07/98/64/1260079864.db2.gz PQRKDRMISAZIKI-CYBMUJFWSA-N 1 3 362.478 0.221 20 0 FCADHO CCN1CCN(CC[NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC001336732954 1260210962 /nfs/dbraw/zinc/21/09/62/1260210962.db2.gz IVGQLDKAUXARCY-SFHVURJKSA-N 1 3 364.490 0.612 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)CNC(N)=O)CC2)CC1 ZINC001336731074 1260211016 /nfs/dbraw/zinc/21/10/16/1260211016.db2.gz RIJXIEZHTMAZDC-UHFFFAOYSA-N 1 3 353.511 0.746 20 0 FCADHO CS(=O)(=O)Nc1ccc(OCC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC001336802069 1260226961 /nfs/dbraw/zinc/22/69/61/1260226961.db2.gz ARYAHBMDSAIMFW-OAHLLOKOSA-N 1 3 357.476 0.483 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001336979868 1260274907 /nfs/dbraw/zinc/27/49/07/1260274907.db2.gz ADIBJLRFFVOVRS-SFHVURJKSA-N 1 3 351.454 0.936 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]2C1)[NH+](C)C ZINC001264651942 1260393477 /nfs/dbraw/zinc/39/34/77/1260393477.db2.gz NDPBXIIBCNGOTD-FGTMMUONSA-N 1 3 364.534 0.879 20 0 FCADHO CN(C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272832765 1260513476 /nfs/dbraw/zinc/51/34/76/1260513476.db2.gz YVUMMAGQTFRZJL-XLIONFOSSA-N 1 3 362.518 0.873 20 0 FCADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(F)C1=O ZINC001272832329 1260513761 /nfs/dbraw/zinc/51/37/61/1260513761.db2.gz HEDQXCSEIFRVQT-QZTJIDSGSA-N 1 3 372.460 0.525 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@@H]2CCN(C[C@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892309 1260953004 /nfs/dbraw/zinc/95/30/04/1260953004.db2.gz FUDUBUKMJDIFPR-QAPCUYQASA-N 1 3 361.490 0.877 20 0 FCADHO O=C(CN1CCC[C@]2(C1)C[N@H+](CCn1ccnc1)CCO2)N1CCCC1 ZINC001280033987 1260981407 /nfs/dbraw/zinc/98/14/07/1260981407.db2.gz VPCWDZULNZOLOU-LJQANCHMSA-N 1 3 361.490 0.672 20 0 FCADHO O=C(CN1CCC[C@]2(C1)C[N@@H+](CCn1ccnc1)CCO2)N1CCCC1 ZINC001280033987 1260981413 /nfs/dbraw/zinc/98/14/13/1260981413.db2.gz VPCWDZULNZOLOU-LJQANCHMSA-N 1 3 361.490 0.672 20 0 FCADHO CN1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259448 1261043452 /nfs/dbraw/zinc/04/34/52/1261043452.db2.gz ONGARQPFRRNBLN-MVJTYMMSSA-N 1 3 361.490 0.847 20 0 FCADHO CN1CCC[C@H](C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259448 1261043454 /nfs/dbraw/zinc/04/34/54/1261043454.db2.gz ONGARQPFRRNBLN-MVJTYMMSSA-N 1 3 361.490 0.847 20 0 FCADHO C[C@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001332408189 1266395939 /nfs/dbraw/zinc/39/59/39/1266395939.db2.gz HIUGKQFZNSRBQS-DLBZAZTESA-N 1 3 362.522 0.543 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])c2)CC1 ZINC001345140867 1261640603 /nfs/dbraw/zinc/64/06/03/1261640603.db2.gz ILYKUHOMMMTWSV-IBGZPJMESA-N 1 3 374.533 0.218 20 0 FCADHO Cc1nnc2n1C[C@@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC001319398890 1263688304 /nfs/dbraw/zinc/68/83/04/1263688304.db2.gz IXSSDYDXYWKOJE-HNNXBMFYSA-N 1 3 360.506 0.824 20 0 FCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC001322810994 1264272966 /nfs/dbraw/zinc/27/29/66/1264272966.db2.gz HTOFXMWAQRJFER-KRWDZBQOSA-N 1 3 372.513 0.961 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001513419499 1265111508 /nfs/dbraw/zinc/11/15/08/1265111508.db2.gz KLGVNSGFCJBUFQ-HZPDHXFCSA-N 1 3 366.506 0.155 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC001327499267 1265342730 /nfs/dbraw/zinc/34/27/30/1265342730.db2.gz GBWCBYVRCFRDDF-CJNGLKHVSA-N 1 3 364.450 0.069 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001529321374 1267051524 /nfs/dbraw/zinc/05/15/24/1267051524.db2.gz CNEKZAJOBGUTHZ-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001529321374 1267051537 /nfs/dbraw/zinc/05/15/37/1267051537.db2.gz CNEKZAJOBGUTHZ-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047566 1267795341 /nfs/dbraw/zinc/79/53/41/1267795341.db2.gz SYRDSQQKWRZACW-HUUCEWRRSA-N 1 3 358.450 0.335 20 0 FCADHO CN1CCN(c2cccc(C(=O)N3CC[C@H](N4CC[NH+](C)CC4)C3)n2)CC1 ZINC001550002708 1268041653 /nfs/dbraw/zinc/04/16/53/1268041653.db2.gz UKPOWMKLKYFWMI-KRWDZBQOSA-N 1 3 372.517 0.295 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H]2Cc3ccccc3CN2)cnn1C ZINC001550114888 1268076550 /nfs/dbraw/zinc/07/65/50/1268076550.db2.gz BTORTELWRDMUKV-YTQUADARSA-N 1 3 353.470 0.862 20 0 FCADHO CN1CCN([C@@H]2CC[N@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131050 1268078746 /nfs/dbraw/zinc/07/87/46/1268078746.db2.gz SFDWAQOYNZZEEC-NHCUHLMSSA-N 1 3 358.530 0.945 20 0 FCADHO CN1CCN([C@@H]2CC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131050 1268078755 /nfs/dbraw/zinc/07/87/55/1268078755.db2.gz SFDWAQOYNZZEEC-NHCUHLMSSA-N 1 3 358.530 0.945 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001550201831 1268092310 /nfs/dbraw/zinc/09/23/10/1268092310.db2.gz JGWFOFMROJKXTF-GJZGRUSLSA-N 1 3 354.470 0.657 20 0 FCADHO Cn1nccc1[C@@H]1[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)CCCN1C ZINC001550360537 1268106251 /nfs/dbraw/zinc/10/62/51/1268106251.db2.gz GGJJQFKNIRUMNV-QAPCUYQASA-N 1 3 362.522 0.413 20 0 FCADHO Cn1nccc1[C@@H]1[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)CCCN1C ZINC001550360537 1268106257 /nfs/dbraw/zinc/10/62/57/1268106257.db2.gz GGJJQFKNIRUMNV-QAPCUYQASA-N 1 3 362.522 0.413 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001550733619 1268158146 /nfs/dbraw/zinc/15/81/46/1268158146.db2.gz XAKPDGNSHFIJJP-UPTPFMHGSA-N 1 3 354.495 0.698 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)C[C@H]2[NH3+])c1 ZINC001550757315 1268163167 /nfs/dbraw/zinc/16/31/67/1268163167.db2.gz OBSABRILQINBQQ-BRWVUGGUSA-N 1 3 354.458 0.571 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001339151178 1268175517 /nfs/dbraw/zinc/17/55/17/1268175517.db2.gz AOMOCGSUYZMEIY-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001339151178 1268175524 /nfs/dbraw/zinc/17/55/24/1268175524.db2.gz AOMOCGSUYZMEIY-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccccc1F ZINC001550911012 1268182747 /nfs/dbraw/zinc/18/27/47/1268182747.db2.gz CUJSTIDUQVLBFK-VQIMIIECSA-N 1 3 362.449 0.678 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC001550912067 1268184616 /nfs/dbraw/zinc/18/46/16/1268184616.db2.gz FFXITPBIBNFFST-SUMWQHHRSA-N 1 3 365.865 0.910 20 0 FCADHO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001550979680 1268187862 /nfs/dbraw/zinc/18/78/62/1268187862.db2.gz BVLJUQMZQLMUJW-OIISXLGYSA-N 1 3 354.495 0.336 20 0 FCADHO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001550979680 1268187864 /nfs/dbraw/zinc/18/78/64/1268187864.db2.gz BVLJUQMZQLMUJW-OIISXLGYSA-N 1 3 354.495 0.336 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)N(C)C1 ZINC001550980914 1268189853 /nfs/dbraw/zinc/18/98/53/1268189853.db2.gz SKYUHVKHZZRSFE-YESZJQIVSA-N 1 3 354.495 0.600 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)N(C)C1 ZINC001550980914 1268189855 /nfs/dbraw/zinc/18/98/55/1268189855.db2.gz SKYUHVKHZZRSFE-YESZJQIVSA-N 1 3 354.495 0.600 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)CC2)nc1 ZINC001551591923 1268280533 /nfs/dbraw/zinc/28/05/33/1268280533.db2.gz PKNIYBSJWZEKGT-KOHRHEQBSA-N 1 3 358.490 0.855 20 0 FCADHO CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CCN(CCn2cccn2)CC1 ZINC001552168100 1268400670 /nfs/dbraw/zinc/40/06/70/1268400670.db2.gz NXPQFOAFQRQOEP-INIZCTEOSA-N 1 3 372.477 0.246 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC2CCN([C@H]3CCOC3)CC2)cnn1C ZINC001552215135 1268412377 /nfs/dbraw/zinc/41/23/77/1268412377.db2.gz CDHOJRXLAHGJHC-SZMVWBNQSA-N 1 3 361.490 0.401 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234461 1268417571 /nfs/dbraw/zinc/41/75/71/1268417571.db2.gz BYBLWKYXHFLYBM-RDJZCZTQSA-N 1 3 369.473 0.970 20 0 FCADHO CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC(CN2CCOCC2)CC1 ZINC001340271029 1268494084 /nfs/dbraw/zinc/49/40/84/1268494084.db2.gz DRJVAAXYXUCHJT-KRWDZBQOSA-N 1 3 363.510 0.706 20 0 FCADHO CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC(CN2CCOCC2)CC1 ZINC001340271029 1268494088 /nfs/dbraw/zinc/49/40/88/1268494088.db2.gz DRJVAAXYXUCHJT-KRWDZBQOSA-N 1 3 363.510 0.706 20 0 FCADHO Cn1cc([C@H]2[C@@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCCN2C)cn1 ZINC001552976177 1268572260 /nfs/dbraw/zinc/57/22/60/1268572260.db2.gz OPOVONCGQKJUML-CRAIPNDOSA-N 1 3 362.522 0.413 20 0 FCADHO Cn1cc([C@H]2[C@@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCCN2C)cn1 ZINC001552976177 1268572266 /nfs/dbraw/zinc/57/22/66/1268572266.db2.gz OPOVONCGQKJUML-CRAIPNDOSA-N 1 3 362.522 0.413 20 0 FCADHO COc1ccccc1[C@H](N)CNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553347397 1268635094 /nfs/dbraw/zinc/63/50/94/1268635094.db2.gz CFKIFVYFZWBKCH-CYBMUJFWSA-N 1 3 361.471 0.991 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)cc1)[C@@H]1CCCN(C)C1 ZINC001341712154 1269164648 /nfs/dbraw/zinc/16/46/48/1269164648.db2.gz JNLWLOWKMUJPHE-QZTJIDSGSA-N 1 3 373.501 0.695 20 0 FCADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844831 1269243490 /nfs/dbraw/zinc/24/34/90/1269243490.db2.gz LOSAHYSOWCQCPF-IEBWSBKVSA-N 1 3 371.529 0.484 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001565779352 1269493749 /nfs/dbraw/zinc/49/37/49/1269493749.db2.gz FARPFLXMEDQBLM-QLFBSQMISA-N 1 3 369.510 0.387 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001343115352 1269781157 /nfs/dbraw/zinc/78/11/57/1269781157.db2.gz BPNIBHZRUAXWRO-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001343115352 1269781167 /nfs/dbraw/zinc/78/11/67/1269781167.db2.gz BPNIBHZRUAXWRO-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H]1c2nncn2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001343558594 1269946793 /nfs/dbraw/zinc/94/67/93/1269946793.db2.gz DKUFAUOJUFDEEA-CQSZACIVSA-N 1 3 361.494 0.923 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O)N(C)C ZINC001343605998 1269960649 /nfs/dbraw/zinc/96/06/49/1269960649.db2.gz RYDFKGKZRZTKQA-RYRKJORJSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1CCN1CCC[C@@H](C)C1 ZINC001573646987 1270848383 /nfs/dbraw/zinc/84/83/83/1270848383.db2.gz ZBUHVRDUXNHUQK-OAHLLOKOSA-N 1 3 363.510 0.558 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874880 1271627283 /nfs/dbraw/zinc/62/72/83/1271627283.db2.gz FLCRIKMSTRPCOM-NEPJUHHUSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874880 1271627289 /nfs/dbraw/zinc/62/72/89/1271627289.db2.gz FLCRIKMSTRPCOM-NEPJUHHUSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896186 1271658288 /nfs/dbraw/zinc/65/82/88/1271658288.db2.gz BVXAPDGDLQKCSX-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896186 1271658292 /nfs/dbraw/zinc/65/82/92/1271658292.db2.gz BVXAPDGDLQKCSX-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO CC(C)(C)OC(=O)NCCN(CCCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC001575223460 1271820426 /nfs/dbraw/zinc/82/04/26/1271820426.db2.gz IMJAZIULPGPVLG-MRXNPFEDSA-N 1 3 359.511 0.946 20 0 FCADHO C[C@@H](NCc1cn[nH]n1)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695976 1272313788 /nfs/dbraw/zinc/31/37/88/1272313788.db2.gz KQLVFXBKMNEDNL-RHSMWYFYSA-N 1 3 364.494 0.775 20 0 FCADHO C[C@H](NCc1c[nH]nn1)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702093 1272322756 /nfs/dbraw/zinc/32/27/56/1272322756.db2.gz KMBFZNVONQUEJC-GOEBONIOSA-N 1 3 350.467 0.386 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1CCN1CCCC1 ZINC001575712341 1272351891 /nfs/dbraw/zinc/35/18/91/1272351891.db2.gz OPKFUEFCRWIWMT-CABCVRRESA-N 1 3 363.510 0.686 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1CCN1CCCC1 ZINC001575712343 1272352316 /nfs/dbraw/zinc/35/23/16/1272352316.db2.gz OPKFUEFCRWIWMT-HUUCEWRRSA-N 1 3 363.510 0.686 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH3+])C2)n1CCN1CCCCC1 ZINC001575716956 1272362368 /nfs/dbraw/zinc/36/23/68/1272362368.db2.gz WXIFSPSRWWFBKS-OAHLLOKOSA-N 1 3 363.510 0.830 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576480504 1273318469 /nfs/dbraw/zinc/31/84/69/1273318469.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 1 3 352.483 0.022 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576480504 1273318474 /nfs/dbraw/zinc/31/84/74/1273318474.db2.gz UVAUEJRBFAIVBN-QGZVFWFLSA-N 1 3 352.483 0.022 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794282 1273697010 /nfs/dbraw/zinc/69/70/10/1273697010.db2.gz DRANWKAQOAIHBF-HUUCEWRRSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794282 1273697012 /nfs/dbraw/zinc/69/70/12/1273697012.db2.gz DRANWKAQOAIHBF-HUUCEWRRSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794282 1273697015 /nfs/dbraw/zinc/69/70/15/1273697015.db2.gz DRANWKAQOAIHBF-HUUCEWRRSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794282 1273697021 /nfs/dbraw/zinc/69/70/21/1273697021.db2.gz DRANWKAQOAIHBF-HUUCEWRRSA-N 1 3 357.462 0.803 20 0 FCADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH2+]CC2)CC1 ZINC001577775480 1274866867 /nfs/dbraw/zinc/86/68/67/1274866867.db2.gz HFJYVOBXTRBBCJ-QGZVFWFLSA-N 1 3 363.554 0.912 20 0 FCADHO CCN1CCN(CCCn2c([C@H]3CCC[NH2+]C3)nnc2N(C)OC)CC1 ZINC001577778329 1274871426 /nfs/dbraw/zinc/87/14/26/1274871426.db2.gz SXRYBHSJZQYOMH-INIZCTEOSA-N 1 3 365.526 0.770 20 0 FCADHO CCOCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC[NH3+] ZINC001578134932 1275433756 /nfs/dbraw/zinc/43/37/56/1275433756.db2.gz HBSGDBFKXSXWNK-MRXNPFEDSA-N 1 3 365.526 0.378 20 0 FCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578218969 1275511336 /nfs/dbraw/zinc/51/13/36/1275511336.db2.gz AQJFBOGHKUESCV-MRXNPFEDSA-N 1 3 372.477 0.737 20 0 FCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578218969 1275511339 /nfs/dbraw/zinc/51/13/39/1275511339.db2.gz AQJFBOGHKUESCV-MRXNPFEDSA-N 1 3 372.477 0.737 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525017 1275957193 /nfs/dbraw/zinc/95/71/93/1275957193.db2.gz MJXOMTIEPDDZJG-IAGOWNOFSA-N 1 3 352.523 0.900 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525017 1275957200 /nfs/dbraw/zinc/95/72/00/1275957200.db2.gz MJXOMTIEPDDZJG-IAGOWNOFSA-N 1 3 352.523 0.900 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525020 1275957406 /nfs/dbraw/zinc/95/74/06/1275957406.db2.gz MJXOMTIEPDDZJG-SJORKVTESA-N 1 3 352.523 0.900 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525020 1275957409 /nfs/dbraw/zinc/95/74/09/1275957409.db2.gz MJXOMTIEPDDZJG-SJORKVTESA-N 1 3 352.523 0.900 20 0 FCADHO COC(=O)C1=C(C)O[C@@H](CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784085 1276265829 /nfs/dbraw/zinc/26/58/29/1276265829.db2.gz RYSUIHXIQDNEKH-GBOPCIDUSA-N 1 3 351.403 0.089 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001578976405 1276527713 /nfs/dbraw/zinc/52/77/13/1276527713.db2.gz YKZHKPOGTAGLLB-DOTOQJQBSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001578976405 1276527719 /nfs/dbraw/zinc/52/77/19/1276527719.db2.gz YKZHKPOGTAGLLB-DOTOQJQBSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578976749 1276529987 /nfs/dbraw/zinc/52/99/87/1276529987.db2.gz DRKJHBFJQSAJEJ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578980571 1276540958 /nfs/dbraw/zinc/54/09/58/1276540958.db2.gz LNIUVINGEMCPLB-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578980571 1276540959 /nfs/dbraw/zinc/54/09/59/1276540959.db2.gz LNIUVINGEMCPLB-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578980571 1276540961 /nfs/dbraw/zinc/54/09/61/1276540961.db2.gz LNIUVINGEMCPLB-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578980571 1276540962 /nfs/dbraw/zinc/54/09/62/1276540962.db2.gz LNIUVINGEMCPLB-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037171 1276620390 /nfs/dbraw/zinc/62/03/90/1276620390.db2.gz IRELVHVIISYJGC-OWCLPIDISA-N 1 3 354.495 0.047 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037171 1276620397 /nfs/dbraw/zinc/62/03/97/1276620397.db2.gz IRELVHVIISYJGC-OWCLPIDISA-N 1 3 354.495 0.047 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326821 1277152890 /nfs/dbraw/zinc/15/28/90/1277152890.db2.gz MUYAKKOZHLDLQR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326821 1277152892 /nfs/dbraw/zinc/15/28/92/1277152892.db2.gz MUYAKKOZHLDLQR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326821 1277152893 /nfs/dbraw/zinc/15/28/93/1277152893.db2.gz MUYAKKOZHLDLQR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326821 1277152895 /nfs/dbraw/zinc/15/28/95/1277152895.db2.gz MUYAKKOZHLDLQR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327515 1277154068 /nfs/dbraw/zinc/15/40/68/1277154068.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001579327515 1277154071 /nfs/dbraw/zinc/15/40/71/1277154071.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001579327515 1277154072 /nfs/dbraw/zinc/15/40/72/1277154072.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001579327515 1277154076 /nfs/dbraw/zinc/15/40/76/1277154076.db2.gz UZLWRSCZXSEOQH-HOTGVXAUSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327379 1277154580 /nfs/dbraw/zinc/15/45/80/1277154580.db2.gz RLSRFIHDTBWSDC-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327379 1277154582 /nfs/dbraw/zinc/15/45/82/1277154582.db2.gz RLSRFIHDTBWSDC-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327379 1277154588 /nfs/dbraw/zinc/15/45/88/1277154588.db2.gz RLSRFIHDTBWSDC-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327379 1277154591 /nfs/dbraw/zinc/15/45/91/1277154591.db2.gz RLSRFIHDTBWSDC-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579327846 1277154604 /nfs/dbraw/zinc/15/46/04/1277154604.db2.gz YALJGPKEHHMFKQ-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579327846 1277154607 /nfs/dbraw/zinc/15/46/07/1277154607.db2.gz YALJGPKEHHMFKQ-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001579327846 1277154611 /nfs/dbraw/zinc/15/46/11/1277154611.db2.gz YALJGPKEHHMFKQ-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001579327846 1277154616 /nfs/dbraw/zinc/15/46/16/1277154616.db2.gz YALJGPKEHHMFKQ-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334438 1277171007 /nfs/dbraw/zinc/17/10/07/1277171007.db2.gz FCIMPIQZVAAFDV-PYLYLYNFSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334438 1277171008 /nfs/dbraw/zinc/17/10/08/1277171008.db2.gz FCIMPIQZVAAFDV-PYLYLYNFSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339977 1277186004 /nfs/dbraw/zinc/18/60/04/1277186004.db2.gz OTJFDPLCDXACDK-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339977 1277186005 /nfs/dbraw/zinc/18/60/05/1277186005.db2.gz OTJFDPLCDXACDK-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339977 1277186006 /nfs/dbraw/zinc/18/60/06/1277186006.db2.gz OTJFDPLCDXACDK-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339977 1277186007 /nfs/dbraw/zinc/18/60/07/1277186007.db2.gz OTJFDPLCDXACDK-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580272489 1278066045 /nfs/dbraw/zinc/06/60/45/1278066045.db2.gz BFHGTEAOFYELMJ-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1cc(N2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961780 1279164898 /nfs/dbraw/zinc/16/48/98/1279164898.db2.gz KZLGNADIYMDOOC-CJNGLKHVSA-N 1 3 372.477 0.851 20 0 FCADHO Cc1cc(N2CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580961779 1279165900 /nfs/dbraw/zinc/16/59/00/1279165900.db2.gz KZLGNADIYMDOOC-BBRMVZONSA-N 1 3 372.477 0.851 20 0 FCADHO Cc1cc(N[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995052 1279205776 /nfs/dbraw/zinc/20/57/76/1279205776.db2.gz WMBYGDBCQBXGDK-IUODEOHRSA-N 1 3 360.466 0.495 20 0 FCADHO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000741 1282988014 /nfs/dbraw/zinc/98/80/14/1282988014.db2.gz RBGVQOQHPDRXPC-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000741 1282988018 /nfs/dbraw/zinc/98/80/18/1282988018.db2.gz RBGVQOQHPDRXPC-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001591176668 1284270284 /nfs/dbraw/zinc/27/02/84/1284270284.db2.gz SIPZNDLXUKUEFI-LBPRGKRZSA-N 1 3 361.425 0.553 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001591176668 1284270300 /nfs/dbraw/zinc/27/03/00/1284270300.db2.gz SIPZNDLXUKUEFI-LBPRGKRZSA-N 1 3 361.425 0.553 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176721 1284271264 /nfs/dbraw/zinc/27/12/64/1284271264.db2.gz UCQCEAGGSAQTKG-RGDDUWESSA-N 1 3 369.473 0.971 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176721 1284271273 /nfs/dbraw/zinc/27/12/73/1284271273.db2.gz UCQCEAGGSAQTKG-RGDDUWESSA-N 1 3 369.473 0.971 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001591284809 1284442307 /nfs/dbraw/zinc/44/23/07/1284442307.db2.gz YBWWGDNBEOAMQA-DAYGRLMNSA-N 1 3 356.430 0.622 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001591284809 1284442314 /nfs/dbraw/zinc/44/23/14/1284442314.db2.gz YBWWGDNBEOAMQA-DAYGRLMNSA-N 1 3 356.430 0.622 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001591284809 1284442320 /nfs/dbraw/zinc/44/23/20/1284442320.db2.gz YBWWGDNBEOAMQA-DAYGRLMNSA-N 1 3 356.430 0.622 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001591284809 1284442327 /nfs/dbraw/zinc/44/23/27/1284442327.db2.gz YBWWGDNBEOAMQA-DAYGRLMNSA-N 1 3 356.430 0.622 20 0 FCADHO C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001604681470 1287729444 /nfs/dbraw/zinc/72/94/44/1287729444.db2.gz ZNXIOYABUBYMCZ-QGZVFWFLSA-N 1 3 359.478 0.516 20 0 FCADHO C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001604681470 1287729449 /nfs/dbraw/zinc/72/94/49/1287729449.db2.gz ZNXIOYABUBYMCZ-QGZVFWFLSA-N 1 3 359.478 0.516 20 0 FCADHO Cc1cc(-c2nnn[n-]2)cnc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001591874041 1284961475 /nfs/dbraw/zinc/96/14/75/1284961475.db2.gz JYXWKBCBUHIRGP-UHFFFAOYSA-N 1 3 374.493 0.916 20 0 FCADHO Cc1cc(-c2nn[n-]n2)cnc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001591874041 1284961484 /nfs/dbraw/zinc/96/14/84/1284961484.db2.gz JYXWKBCBUHIRGP-UHFFFAOYSA-N 1 3 374.493 0.916 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1)[NH+](CC)CC ZINC001719107615 1287754448 /nfs/dbraw/zinc/75/44/48/1287754448.db2.gz VJMVRBLNOVBCAQ-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719120215 1287779113 /nfs/dbraw/zinc/77/91/13/1287779113.db2.gz OWFBPTJPBLLAJY-GVDBMIGSSA-N 1 3 368.522 0.281 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@@H]1O ZINC001702392431 1285625876 /nfs/dbraw/zinc/62/58/76/1285625876.db2.gz VNJWLGUXPRVLPU-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@@H]1O ZINC001702392431 1285625886 /nfs/dbraw/zinc/62/58/86/1285625886.db2.gz VNJWLGUXPRVLPU-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001707024583 1286433679 /nfs/dbraw/zinc/43/36/79/1286433679.db2.gz QQXNYDXDAFJXFX-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1O ZINC001719133019 1287798870 /nfs/dbraw/zinc/79/88/70/1287798870.db2.gz DIZVQJYAFUPASH-BRWVUGGUSA-N 1 3 368.522 0.281 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1O ZINC001719133019 1287798878 /nfs/dbraw/zinc/79/88/78/1287798878.db2.gz DIZVQJYAFUPASH-BRWVUGGUSA-N 1 3 368.522 0.281 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC[C@H](O)CNCc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655478 1288590046 /nfs/dbraw/zinc/59/00/46/1288590046.db2.gz BKLABGGSDMMDLN-AQNXPRMDSA-N 1 3 368.481 0.994 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC[C@H](O)CNCc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655478 1288590052 /nfs/dbraw/zinc/59/00/52/1288590052.db2.gz BKLABGGSDMMDLN-AQNXPRMDSA-N 1 3 368.481 0.994 20 0 FCADHO C[C@H](F)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001691907108 1289340669 /nfs/dbraw/zinc/34/06/69/1289340669.db2.gz GMTWXDQJIIDMTD-OUCADQQQSA-N 1 3 353.442 0.976 20 0 FCADHO C[C@H](F)CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001691907108 1289340679 /nfs/dbraw/zinc/34/06/79/1289340679.db2.gz GMTWXDQJIIDMTD-OUCADQQQSA-N 1 3 353.442 0.976 20 0 FCADHO CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001614036301 1289734538 /nfs/dbraw/zinc/73/45/38/1289734538.db2.gz IAVQPIXSDYYCBP-HOTGVXAUSA-N 1 3 350.511 0.949 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C(=O)NCCNCCF)C2)CC[N@@H+]1C ZINC001752926125 1290615613 /nfs/dbraw/zinc/61/56/13/1290615613.db2.gz JSXKCXPTUKRZQO-OWCLPIDISA-N 1 3 356.486 0.631 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C(=O)NCCNCCF)C2)CC[N@H+]1C ZINC001752926125 1290615621 /nfs/dbraw/zinc/61/56/21/1290615621.db2.gz JSXKCXPTUKRZQO-OWCLPIDISA-N 1 3 356.486 0.631 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC001754882351 1290633891 /nfs/dbraw/zinc/63/38/91/1290633891.db2.gz AHJSBXDMNYJEMJ-RHSMWYFYSA-N 1 3 362.474 0.036 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC001754882351 1290633897 /nfs/dbraw/zinc/63/38/97/1290633897.db2.gz AHJSBXDMNYJEMJ-RHSMWYFYSA-N 1 3 362.474 0.036 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)N(C)C ZINC001656839697 1291566943 /nfs/dbraw/zinc/56/69/43/1291566943.db2.gz JTLSNHLJAYGUBT-IKGGRYGDSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)N(C)C ZINC001656839697 1291566949 /nfs/dbraw/zinc/56/69/49/1291566949.db2.gz JTLSNHLJAYGUBT-IKGGRYGDSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CN(C)CC(C)(C)C)C2)CC[N@@H+]1C ZINC001688684842 1294521048 /nfs/dbraw/zinc/52/10/48/1294521048.db2.gz DDDUHJGUILOXHI-GDBMZVCRSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)CN(C)CC(C)(C)C)C2)CC[N@H+]1C ZINC001688684842 1294521051 /nfs/dbraw/zinc/52/10/51/1294521051.db2.gz DDDUHJGUILOXHI-GDBMZVCRSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)Nc1nncs1 ZINC001690842892 1294887131 /nfs/dbraw/zinc/88/71/31/1294887131.db2.gz GIJMHLPCMCUZPT-IJLUTSLNSA-N 1 3 354.480 0.301 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)Nc1nncs1 ZINC001690842892 1294887149 /nfs/dbraw/zinc/88/71/49/1294887149.db2.gz GIJMHLPCMCUZPT-IJLUTSLNSA-N 1 3 354.480 0.301 20 0 FCADHO c1ncc(O[C@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164742296 720640623 /nfs/dbraw/zinc/64/06/23/720640623.db2.gz MOVQJLKBECFHLX-GJZGRUSLSA-N 1 3 353.430 0.254 20 0 FCADHO CN(C)Cc1ccnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001164754740 720966726 /nfs/dbraw/zinc/96/67/26/720966726.db2.gz WNQKBBROSCQWTF-UHFFFAOYSA-N 1 3 372.473 0.985 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C2CC2)N(C)C)CC[N@@H+]1C ZINC001067536393 837465833 /nfs/dbraw/zinc/46/58/33/837465833.db2.gz WRLRKUFDMNCXNI-OIISXLGYSA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@H](C2CC2)N(C)C)CC[N@H+]1C ZINC001067536393 837465843 /nfs/dbraw/zinc/46/58/43/837465843.db2.gz WRLRKUFDMNCXNI-OIISXLGYSA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001070807455 837682502 /nfs/dbraw/zinc/68/25/02/837682502.db2.gz VZTXVUGYYQLSRY-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001070807455 837682507 /nfs/dbraw/zinc/68/25/07/837682507.db2.gz VZTXVUGYYQLSRY-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379656526 836050094 /nfs/dbraw/zinc/05/00/94/836050094.db2.gz PKHXBOWEZHQEAZ-NVXWUHKLSA-N 1 3 352.504 0.779 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363985 844159873 /nfs/dbraw/zinc/15/98/73/844159873.db2.gz JDGWQPWZDYUIQY-LMMKCTJWSA-N 1 3 353.507 0.772 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363985 844159883 /nfs/dbraw/zinc/15/98/83/844159883.db2.gz JDGWQPWZDYUIQY-LMMKCTJWSA-N 1 3 353.507 0.772 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061651188 836703946 /nfs/dbraw/zinc/70/39/46/836703946.db2.gz LFDGTXLHBZBPTR-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061651188 836703952 /nfs/dbraw/zinc/70/39/52/836703952.db2.gz LFDGTXLHBZBPTR-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN3CC[C@H](C)C3)CCC2)CC[N@@H+]1C ZINC001063223670 836758324 /nfs/dbraw/zinc/75/83/24/836758324.db2.gz SMNIJRUQRZNIBN-ARFHVFGLSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN3CC[C@H](C)C3)CCC2)CC[N@H+]1C ZINC001063223670 836758331 /nfs/dbraw/zinc/75/83/31/836758331.db2.gz SMNIJRUQRZNIBN-ARFHVFGLSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001063223253 836758930 /nfs/dbraw/zinc/75/89/30/836758930.db2.gz AIRVWPMMYZQFES-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001063223253 836758937 /nfs/dbraw/zinc/75/89/37/836758937.db2.gz AIRVWPMMYZQFES-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN3CCC[C@@H]3C)CCC2)CC[N@@H+]1C ZINC001063223252 836759108 /nfs/dbraw/zinc/75/91/08/836759108.db2.gz AIRVWPMMYZQFES-ARFHVFGLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN3CCC[C@@H]3C)CCC2)CC[N@H+]1C ZINC001063223252 836759114 /nfs/dbraw/zinc/75/91/14/836759114.db2.gz AIRVWPMMYZQFES-ARFHVFGLSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065208029 836822036 /nfs/dbraw/zinc/82/20/36/836822036.db2.gz ZBSKUUUUASMGDX-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065208029 836822043 /nfs/dbraw/zinc/82/20/43/836822043.db2.gz ZBSKUUUUASMGDX-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077129128 838754786 /nfs/dbraw/zinc/75/47/86/838754786.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001077129128 838754789 /nfs/dbraw/zinc/75/47/89/838754789.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001077129128 838754798 /nfs/dbraw/zinc/75/47/98/838754798.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001077129128 838754801 /nfs/dbraw/zinc/75/48/01/838754801.db2.gz UZNLPPRCJLOSMN-FGTMMUONSA-N 1 3 351.491 0.591 20 0 FCADHO CC(C)(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418456 838958096 /nfs/dbraw/zinc/95/80/96/838958096.db2.gz OXUPGZGWHMSIKX-ZRUZRRJWSA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418456 838958099 /nfs/dbraw/zinc/95/80/99/838958099.db2.gz OXUPGZGWHMSIKX-ZRUZRRJWSA-N 1 3 351.491 0.447 20 0 FCADHO CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418094 838958396 /nfs/dbraw/zinc/95/83/96/838958396.db2.gz IOWCNNMLFGTGBR-CBYDULDESA-N 1 3 351.491 0.447 20 0 FCADHO CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418094 838958403 /nfs/dbraw/zinc/95/84/03/838958403.db2.gz IOWCNNMLFGTGBR-CBYDULDESA-N 1 3 351.491 0.447 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045052 844395042 /nfs/dbraw/zinc/39/50/42/844395042.db2.gz PSAZGUWVZGRIJX-HUUCEWRRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045052 844395048 /nfs/dbraw/zinc/39/50/48/844395048.db2.gz PSAZGUWVZGRIJX-HUUCEWRRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051615 844396611 /nfs/dbraw/zinc/39/66/11/844396611.db2.gz AMTLDYLXVZSWAS-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051615 844396618 /nfs/dbraw/zinc/39/66/18/844396618.db2.gz AMTLDYLXVZSWAS-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077778281 839152286 /nfs/dbraw/zinc/15/22/86/839152286.db2.gz AOMIUOHHPSAAEZ-KZNAEPCWSA-N 1 3 353.507 0.839 20 0 FCADHO O=C(N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013243 839293167 /nfs/dbraw/zinc/29/31/67/839293167.db2.gz YCXQQIFDSBNKBF-BRWVUGGUSA-N 1 3 351.491 0.185 20 0 FCADHO CCNC(=O)CN1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102188610 844439084 /nfs/dbraw/zinc/43/90/84/844439084.db2.gz BVLPGYWSMVENDB-QGPMSJSTSA-N 1 3 350.507 0.681 20 0 FCADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079946844 839628968 /nfs/dbraw/zinc/62/89/68/839628968.db2.gz CZIJVERAXSORTE-XYPHTWIQSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079946844 839628976 /nfs/dbraw/zinc/62/89/76/839628976.db2.gz CZIJVERAXSORTE-XYPHTWIQSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373649 844479581 /nfs/dbraw/zinc/47/95/81/844479581.db2.gz FLYPXCLGAMVURH-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373649 844479586 /nfs/dbraw/zinc/47/95/86/844479586.db2.gz FLYPXCLGAMVURH-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377158 844480485 /nfs/dbraw/zinc/48/04/85/844480485.db2.gz RANIBVDDQWBFRX-BZUAXINKSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377158 844480489 /nfs/dbraw/zinc/48/04/89/844480489.db2.gz RANIBVDDQWBFRX-BZUAXINKSA-N 1 3 352.523 0.879 20 0 FCADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081683872 840000280 /nfs/dbraw/zinc/00/02/80/840000280.db2.gz SLEGPJRLIJBMEN-TVFCKZIOSA-N 1 3 353.507 0.957 20 0 FCADHO CO[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328806 840313846 /nfs/dbraw/zinc/31/38/46/840313846.db2.gz MMIXNBLDHWQLBD-BRWVUGGUSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082520595 840447050 /nfs/dbraw/zinc/44/70/50/840447050.db2.gz HAOMQTTXXWHYBY-QBPKDAKJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082520595 840447055 /nfs/dbraw/zinc/44/70/55/840447055.db2.gz HAOMQTTXXWHYBY-QBPKDAKJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082557522 840465329 /nfs/dbraw/zinc/46/53/29/840465329.db2.gz KRELWJIXBLKPJZ-GDBMZVCRSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082559726 840465570 /nfs/dbraw/zinc/46/55/70/840465570.db2.gz NRICCGICUIFNBZ-KBRIMQKVSA-N 1 3 371.547 0.588 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511083 844542423 /nfs/dbraw/zinc/54/24/23/844542423.db2.gz IIQRTXMFBIOEJR-HZPDHXFCSA-N 1 3 356.511 0.116 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514553 844546155 /nfs/dbraw/zinc/54/61/55/844546155.db2.gz AVVGTILPDCUBFO-BFYDXBDKSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514553 844546163 /nfs/dbraw/zinc/54/61/63/844546163.db2.gz AVVGTILPDCUBFO-BFYDXBDKSA-N 1 3 350.507 0.539 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1)N(C)C ZINC001082748209 840545983 /nfs/dbraw/zinc/54/59/83/840545983.db2.gz AEGJMTQMHWMTPC-YUELXQCFSA-N 1 3 354.520 0.995 20 0 FCADHO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)C1=O ZINC001082822232 840574725 /nfs/dbraw/zinc/57/47/25/840574725.db2.gz SJMNWMWMKRIGES-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082943724 840617227 /nfs/dbraw/zinc/61/72/27/840617227.db2.gz YRVWPERDQLBWIS-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)C1=O ZINC001082941915 840617280 /nfs/dbraw/zinc/61/72/80/840617280.db2.gz UNFYRWBMSSFNSM-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612601 844601473 /nfs/dbraw/zinc/60/14/73/844601473.db2.gz OWNSUWADCRROHI-BRWVUGGUSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654973 841281601 /nfs/dbraw/zinc/28/16/01/841281601.db2.gz OXUPGZGWHMSIKX-AOZDQCPJSA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654973 841281607 /nfs/dbraw/zinc/28/16/07/841281607.db2.gz OXUPGZGWHMSIKX-AOZDQCPJSA-N 1 3 351.491 0.447 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083833157 841479226 /nfs/dbraw/zinc/47/92/26/841479226.db2.gz LPYLMYXNHNZUSF-FGTMMUONSA-N 1 3 353.507 0.695 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087062598 842259178 /nfs/dbraw/zinc/25/91/78/842259178.db2.gz NIQOAWVGLBFZCO-FVQBIDKESA-N 1 3 352.483 0.108 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001087175429 842308933 /nfs/dbraw/zinc/30/89/33/842308933.db2.gz NQVABERCIFORHV-HYVNUMGLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001087249226 842327257 /nfs/dbraw/zinc/32/72/57/842327257.db2.gz QBZAWEHSKNFMBK-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001091783235 843093562 /nfs/dbraw/zinc/09/35/62/843093562.db2.gz WRCSDSBVFKUHDE-RKVPGOIHSA-N 1 3 351.495 0.132 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001091783235 843093569 /nfs/dbraw/zinc/09/35/69/843093569.db2.gz WRCSDSBVFKUHDE-RKVPGOIHSA-N 1 3 351.495 0.132 20 0 FCADHO C[C@]12CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CCCF)C2 ZINC001091868408 843116982 /nfs/dbraw/zinc/11/69/82/843116982.db2.gz PVADTEZPFNQTJC-RVJQKTFWSA-N 1 3 351.466 0.990 20 0 FCADHO C[C@]12CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@@H+](CCCF)C2 ZINC001091868408 843116988 /nfs/dbraw/zinc/11/69/88/843116988.db2.gz PVADTEZPFNQTJC-RVJQKTFWSA-N 1 3 351.466 0.990 20 0 FCADHO CC(C)[C@@H]1N(C(=O)C2(N(C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448543 843434113 /nfs/dbraw/zinc/43/41/13/843434113.db2.gz APTYFTYUJSDOIO-XLMAVXFVSA-N 1 3 353.507 0.429 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093825985 843475569 /nfs/dbraw/zinc/47/55/69/843475569.db2.gz VQXHXTZBNPGYGC-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099223019 843978903 /nfs/dbraw/zinc/97/89/03/843978903.db2.gz BYFCFTRZVSCIFP-JHJVBQTASA-N 1 3 360.384 0.351 20 0 FCADHO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102780767 844646224 /nfs/dbraw/zinc/64/62/24/844646224.db2.gz NFEUNWLRWHAATP-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102780767 844646227 /nfs/dbraw/zinc/64/62/27/844646227.db2.gz NFEUNWLRWHAATP-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090159 844698887 /nfs/dbraw/zinc/69/88/87/844698887.db2.gz MZFWCSJVZWNYIQ-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090159 844698893 /nfs/dbraw/zinc/69/88/93/844698893.db2.gz MZFWCSJVZWNYIQ-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103140042 844706509 /nfs/dbraw/zinc/70/65/09/844706509.db2.gz KIWOIGPPFZJHEE-BZUAXINKSA-N 1 3 353.511 0.426 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103140042 844706516 /nfs/dbraw/zinc/70/65/16/844706516.db2.gz KIWOIGPPFZJHEE-BZUAXINKSA-N 1 3 353.511 0.426 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395634 844751402 /nfs/dbraw/zinc/75/14/02/844751402.db2.gz DHWAENKABWAGSS-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001103435956 844757818 /nfs/dbraw/zinc/75/78/18/844757818.db2.gz FUGAAEQIAQCEOC-HBUWYVDXSA-N 1 3 356.486 0.758 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001103435956 844757824 /nfs/dbraw/zinc/75/78/24/844757824.db2.gz FUGAAEQIAQCEOC-HBUWYVDXSA-N 1 3 356.486 0.758 20 0 FCADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438611 844759127 /nfs/dbraw/zinc/75/91/27/844759127.db2.gz SLSUEDXSBFHMEV-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438611 844759135 /nfs/dbraw/zinc/75/91/35/844759135.db2.gz SLSUEDXSBFHMEV-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001103631503 844792536 /nfs/dbraw/zinc/79/25/36/844792536.db2.gz PXDGBLYYWUPEHX-RHSMWYFYSA-N 1 3 350.507 0.668 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677087 844797975 /nfs/dbraw/zinc/79/79/75/844797975.db2.gz KDFUFFCFWCEVLB-GDBMZVCRSA-N 1 3 352.479 0.998 20 0 FCADHO COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677087 844797978 /nfs/dbraw/zinc/79/79/78/844797978.db2.gz KDFUFFCFWCEVLB-GDBMZVCRSA-N 1 3 352.479 0.998 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001104680096 844932570 /nfs/dbraw/zinc/93/25/70/844932570.db2.gz PHPVAULGWKVVFX-ARFHVFGLSA-N 1 3 359.536 0.447 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001105066678 844977363 /nfs/dbraw/zinc/97/73/63/844977363.db2.gz BHLKGYAKLKNAIH-KURKYZTESA-N 1 3 355.523 0.944 20 0 FCADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105664152 845012275 /nfs/dbraw/zinc/01/22/75/845012275.db2.gz WXUPUXSECOBZDV-FPAYPSAMSA-N 1 3 355.523 0.941 20 0 FCADHO CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105668032 845014657 /nfs/dbraw/zinc/01/46/57/845014657.db2.gz VZEGAWFPUMUKIL-AHCXZYCDSA-N 1 3 359.486 0.500 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105669053 845015571 /nfs/dbraw/zinc/01/55/71/845015571.db2.gz PBTJNKCYGGAGRU-PSBWJHGTSA-N 1 3 355.523 0.941 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106663265 845217265 /nfs/dbraw/zinc/21/72/65/845217265.db2.gz YWGWRLLUYCSNEF-BFYDXBDKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001106666015 845218752 /nfs/dbraw/zinc/21/87/52/845218752.db2.gz DYVWNDGTDQBQIE-ARFHVFGLSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)C1 ZINC001106665791 845218867 /nfs/dbraw/zinc/21/88/67/845218867.db2.gz BQBAHPHTFOXPFM-BFYDXBDKSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)C1 ZINC001106666768 845220596 /nfs/dbraw/zinc/22/05/96/845220596.db2.gz UJYDGATWIOTFMA-BFYDXBDKSA-N 1 3 350.507 0.539 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1)N(C)C ZINC001106674073 845223587 /nfs/dbraw/zinc/22/35/87/845223587.db2.gz QHHHKKQJYXTBDJ-OAGGEKHMSA-N 1 3 361.552 0.836 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1 ZINC001106782906 845252209 /nfs/dbraw/zinc/25/22/09/845252209.db2.gz BTIDGXQGRBWBEK-BRWVUGGUSA-N 1 3 359.511 0.036 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106784379 845252255 /nfs/dbraw/zinc/25/22/55/845252255.db2.gz IGIIJAFDRNUJFR-HUUCEWRRSA-N 1 3 352.479 0.161 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106782865 845252419 /nfs/dbraw/zinc/25/24/19/845252419.db2.gz AJFIVYGIQWPKSE-NVXWUHKLSA-N 1 3 356.511 0.165 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1 ZINC001106910990 845284487 /nfs/dbraw/zinc/28/44/87/845284487.db2.gz ZIYXNORZENWWLB-ZACQAIPSSA-N 1 3 359.511 0.036 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1 ZINC001106910723 845284808 /nfs/dbraw/zinc/28/48/08/845284808.db2.gz LVYFPPYIRMJFFT-NVXWUHKLSA-N 1 3 356.511 0.165 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001107042462 845318055 /nfs/dbraw/zinc/31/80/55/845318055.db2.gz NMMMHYCJBSRNSG-BZUAXINKSA-N 1 3 361.552 0.691 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001107042464 845318182 /nfs/dbraw/zinc/31/81/82/845318182.db2.gz NMTLOAAADPFXDW-BFYDXBDKSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001107042573 845318421 /nfs/dbraw/zinc/31/84/21/845318421.db2.gz SMPMSVUNBHEROA-HUUCEWRRSA-N 1 3 352.479 0.160 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621468 845408666 /nfs/dbraw/zinc/40/86/66/845408666.db2.gz PKLNGUZCVBDNPV-YXJHDRRASA-N 1 3 350.463 0.629 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621468 845408669 /nfs/dbraw/zinc/40/86/69/845408669.db2.gz PKLNGUZCVBDNPV-YXJHDRRASA-N 1 3 350.463 0.629 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110981095 846007378 /nfs/dbraw/zinc/00/73/78/846007378.db2.gz IZVHKMNZHKYWND-SYQHCUMBSA-N 1 3 367.412 0.599 20 0 FCADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CCC1=O)C2 ZINC001111864580 846235220 /nfs/dbraw/zinc/23/52/20/846235220.db2.gz XFSHXLGLHLUCCW-KSSFIOAISA-N 1 3 350.463 0.058 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116212 846394844 /nfs/dbraw/zinc/39/48/44/846394844.db2.gz QPEBQNUODLYAAS-MGPQQGTHSA-N 1 3 367.412 0.457 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112182179 846442124 /nfs/dbraw/zinc/44/21/24/846442124.db2.gz TTWNWVRVFBFSEK-YNEHKIRRSA-N 1 3 355.401 0.314 20 0 FCADHO COC[C@H](O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196458 846455416 /nfs/dbraw/zinc/45/54/16/846455416.db2.gz LSHZSKUPUGAFBO-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001116169889 846621891 /nfs/dbraw/zinc/62/18/91/846621891.db2.gz WVMGWQGTXCGNHE-KRWDZBQOSA-N 1 3 352.523 0.631 20 0 FCADHO C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276960007 861707595 /nfs/dbraw/zinc/70/75/95/861707595.db2.gz NDHJBCLKEQFJAR-IAGOWNOFSA-N 1 3 352.523 0.223 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001117985612 847242115 /nfs/dbraw/zinc/24/21/15/847242115.db2.gz RHOLWNRPUHSABX-CQSZACIVSA-N 1 3 352.454 0.830 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001118038975 847258438 /nfs/dbraw/zinc/25/84/38/847258438.db2.gz QKEOLIZQTOMYIB-HNNXBMFYSA-N 1 3 370.563 0.969 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119412628 847836523 /nfs/dbraw/zinc/83/65/23/847836523.db2.gz XQUDKZWNBSNNGC-GJZGRUSLSA-N 1 3 366.531 0.427 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CC1=O ZINC001120602491 848250933 /nfs/dbraw/zinc/25/09/33/848250933.db2.gz HTDZMNFPIZPMBG-SJORKVTESA-N 1 3 353.438 0.628 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)nc1C(F)F ZINC001120954259 848301283 /nfs/dbraw/zinc/30/12/83/848301283.db2.gz HIFWUJUPSNCAMJ-UHFFFAOYSA-N 1 3 360.409 0.248 20 0 FCADHO CN1CCC[C@H](NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)C1 ZINC001121910017 848413782 /nfs/dbraw/zinc/41/37/82/848413782.db2.gz GHYUGWYGLDVJFZ-NSHDSACASA-N 1 3 357.252 0.394 20 0 FCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993639 848431235 /nfs/dbraw/zinc/43/12/35/848431235.db2.gz WYTPNWSFCSCYGI-ARLBYUKCSA-N 1 3 351.495 0.497 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362143 848498478 /nfs/dbraw/zinc/49/84/78/848498478.db2.gz OHJKHEDUSMVQCH-CVEARBPZSA-N 1 3 350.507 0.907 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)C)CC[N@@H+]1C ZINC001127706534 848733280 /nfs/dbraw/zinc/73/32/80/848733280.db2.gz MJBNANWYRREBKK-HZSPNIEDSA-N 1 3 355.483 0.045 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)C)CC[N@H+]1C ZINC001127706534 848733288 /nfs/dbraw/zinc/73/32/88/848733288.db2.gz MJBNANWYRREBKK-HZSPNIEDSA-N 1 3 355.483 0.045 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994575 848927643 /nfs/dbraw/zinc/92/76/43/848927643.db2.gz VSWATNATKLRJRQ-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123370 848947747 /nfs/dbraw/zinc/94/77/47/848947747.db2.gz OVYVSAMBVMIRSX-XQQFMLRXSA-N 1 3 360.384 0.524 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130123370 848947748 /nfs/dbraw/zinc/94/77/48/848947748.db2.gz OVYVSAMBVMIRSX-XQQFMLRXSA-N 1 3 360.384 0.524 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOCC)C1 ZINC001131115539 849080187 /nfs/dbraw/zinc/08/01/87/849080187.db2.gz RHNOKRILUPXZRI-HZPDHXFCSA-N 1 3 351.495 0.682 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)C1 ZINC001131562406 849123525 /nfs/dbraw/zinc/12/35/25/849123525.db2.gz RNTUGFWIFVVUMD-WDYCEAGBSA-N 1 3 353.507 0.696 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001143354027 849484007 /nfs/dbraw/zinc/48/40/07/849484007.db2.gz UUPAPFALBHEHFG-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCN(c2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc2)CC1 ZINC001148999154 849625753 /nfs/dbraw/zinc/62/57/53/849625753.db2.gz XWZRSJRCIDZELR-UHFFFAOYSA-N 1 3 354.476 0.189 20 0 FCADHO C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1F ZINC001157926309 850004800 /nfs/dbraw/zinc/00/48/00/850004800.db2.gz ORZGCOJHUGHEOD-AYMQEEERSA-N 1 3 360.449 0.732 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241001 850027574 /nfs/dbraw/zinc/02/75/74/850027574.db2.gz POSPEOARGVVHBB-MNOVXSKESA-N 1 3 365.400 0.438 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001158495677 850056589 /nfs/dbraw/zinc/05/65/89/850056589.db2.gz CQNZRKLMBJHSAB-CKIKVBCHSA-N 1 3 363.380 0.669 20 0 FCADHO CN1CCC(N(c2ncccc2S(N)(=O)=O)C2CC[NH2+]CC2)CC1 ZINC001158575335 850060327 /nfs/dbraw/zinc/06/03/27/850060327.db2.gz MDOYOSQRSSYAJP-UHFFFAOYSA-N 1 3 353.492 0.382 20 0 FCADHO N[C@H](C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C1CCC2(CC1)OCCO2 ZINC001158576791 850060469 /nfs/dbraw/zinc/06/04/69/850060469.db2.gz DPKIHNIRVIERNA-ILXRZTDVSA-N 1 3 355.454 0.782 20 0 FCADHO CNS(=O)(=O)c1cccnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158581396 850061713 /nfs/dbraw/zinc/06/17/13/850061713.db2.gz QYCBZHSRACQVFE-UHFFFAOYSA-N 1 3 367.519 0.642 20 0 FCADHO CN1CCC(N(c2cccc(S(N)(=O)=O)n2)C2CC[NH2+]CC2)CC1 ZINC001158591917 850061856 /nfs/dbraw/zinc/06/18/56/850061856.db2.gz ZAYDWHVRZOYSEQ-UHFFFAOYSA-N 1 3 353.492 0.382 20 0 FCADHO CC[C@@H]1N(C(=O)[C@H](N)CCC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159278821 850107032 /nfs/dbraw/zinc/10/70/32/850107032.db2.gz DBYPROCQNULOGM-VKJFTORMSA-N 1 3 354.495 0.461 20 0 FCADHO [NH3+][C@@H](CC(F)F)C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667482 850128383 /nfs/dbraw/zinc/12/83/83/850128383.db2.gz UNWWJXBVSNKQNM-KKUMJFAQSA-N 1 3 354.401 0.866 20 0 FCADHO CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159844877 850141307 /nfs/dbraw/zinc/14/13/07/850141307.db2.gz LGOUAKVOOVXOOE-HUUCEWRRSA-N 1 3 354.495 0.223 20 0 FCADHO CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1CCOCC1 ZINC001160495073 850176736 /nfs/dbraw/zinc/17/67/36/850176736.db2.gz WZSIUXMQIJCJKF-HOTGVXAUSA-N 1 3 354.495 0.461 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]3CCNC[C@@H]3F)C[C@H]1C2 ZINC001160795262 850198281 /nfs/dbraw/zinc/19/82/81/850198281.db2.gz VXJSKRJLUPUBLR-LNORHHCFSA-N 1 3 353.438 0.181 20 0 FCADHO CSc1nc(Cl)cc(N2CCCN(C(=O)[C@H](N)CCC[NH3+])CC2)n1 ZINC001161054005 850225224 /nfs/dbraw/zinc/22/52/24/850225224.db2.gz HDMBCIZDKSIGEM-LLVKDONJSA-N 1 3 372.926 0.957 20 0 FCADHO C[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161150605 850234409 /nfs/dbraw/zinc/23/44/09/850234409.db2.gz KVZZOIKCHPXGJH-YUMQZZPRSA-N 1 3 352.386 0.219 20 0 FCADHO N[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239346 850243653 /nfs/dbraw/zinc/24/36/53/850243653.db2.gz ZMVMDLHETWABDA-CABCVRRESA-N 1 3 350.850 0.666 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601870 850274581 /nfs/dbraw/zinc/27/45/81/850274581.db2.gz MRFYJJIWBKKAPF-ARFHVFGLSA-N 1 3 354.470 0.132 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601870 850274589 /nfs/dbraw/zinc/27/45/89/850274589.db2.gz MRFYJJIWBKKAPF-ARFHVFGLSA-N 1 3 354.470 0.132 20 0 FCADHO C[NH+](C)CCCCNc1cccc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC001161728139 850279313 /nfs/dbraw/zinc/27/93/13/850279313.db2.gz CPRUGWABMHIHGA-UHFFFAOYSA-N 1 3 355.508 0.917 20 0 FCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N1CC[C@@H]([NH3+])C1 ZINC001164279618 850401564 /nfs/dbraw/zinc/40/15/64/850401564.db2.gz SEOWJYSFSIZRRF-DZGCQCFKSA-N 1 3 350.463 0.725 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(CN)ncn1)C2 ZINC001165372614 850438252 /nfs/dbraw/zinc/43/82/52/850438252.db2.gz IQZCBIPMHMAJQZ-KGLIPLIRSA-N 1 3 359.352 0.457 20 0 FCADHO N=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC001167880321 850560685 /nfs/dbraw/zinc/56/06/85/850560685.db2.gz HVRIJFBWSNNHBA-UHFFFAOYSA-N 1 3 354.480 0.978 20 0 FCADHO CCN(CC)CC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001180387998 851033651 /nfs/dbraw/zinc/03/36/51/851033651.db2.gz KTKLCLROKNVARH-UHFFFAOYSA-N 1 3 351.451 0.193 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001182693623 851192827 /nfs/dbraw/zinc/19/28/27/851192827.db2.gz ZXTJPIVPOMWEJX-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001182693623 851192840 /nfs/dbraw/zinc/19/28/40/851192840.db2.gz ZXTJPIVPOMWEJX-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485395 851795219 /nfs/dbraw/zinc/79/52/19/851795219.db2.gz VPEHDDXSJFQCBR-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485395 851795222 /nfs/dbraw/zinc/79/52/22/851795222.db2.gz VPEHDDXSJFQCBR-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001189810977 851826758 /nfs/dbraw/zinc/82/67/58/851826758.db2.gz PJADWKHBQFRWIU-ZWKOTPCHSA-N 1 3 353.507 0.914 20 0 FCADHO CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871059 851832704 /nfs/dbraw/zinc/83/27/04/851832704.db2.gz JXNFAQSMGVDHBF-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001197948829 853190169 /nfs/dbraw/zinc/19/01/69/853190169.db2.gz MKPIOGUZIKTTFK-FGTMMUONSA-N 1 3 355.523 0.821 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001199057894 853361259 /nfs/dbraw/zinc/36/12/59/853361259.db2.gz XFZOGVFVAOLYGE-QZTJIDSGSA-N 1 3 353.507 0.840 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)N1CCCC1 ZINC001199127521 853375352 /nfs/dbraw/zinc/37/53/52/853375352.db2.gz GBLPIMHBVRQKKM-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)N1CCCC1 ZINC001199127521 853375362 /nfs/dbraw/zinc/37/53/62/853375362.db2.gz GBLPIMHBVRQKKM-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO COC(=O)CCCN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001202218617 853563149 /nfs/dbraw/zinc/56/31/49/853563149.db2.gz MHHJYBXPTUCPCK-UHFFFAOYSA-N 1 3 354.495 0.110 20 0 FCADHO CCN(CC)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513508 853619354 /nfs/dbraw/zinc/61/93/54/853619354.db2.gz LOVKDMUJJMMLGH-IXDOHACOSA-N 1 3 353.507 0.648 20 0 FCADHO C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001207553672 853823912 /nfs/dbraw/zinc/82/39/12/853823912.db2.gz KJBSIECGQFOAMB-QGPMSJSTSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001207553672 853823923 /nfs/dbraw/zinc/82/39/23/853823923.db2.gz KJBSIECGQFOAMB-QGPMSJSTSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1C ZINC001207758013 853855127 /nfs/dbraw/zinc/85/51/27/853855127.db2.gz ROSVDNHGXDMDEV-OWCLPIDISA-N 1 3 359.511 0.177 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1C ZINC001207758013 853855134 /nfs/dbraw/zinc/85/51/34/853855134.db2.gz ROSVDNHGXDMDEV-OWCLPIDISA-N 1 3 359.511 0.177 20 0 FCADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179741 854088006 /nfs/dbraw/zinc/08/80/06/854088006.db2.gz QXFICZHAQHGNHX-FHLIZLRMSA-N 1 3 353.507 0.552 20 0 FCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214645897 854985917 /nfs/dbraw/zinc/98/59/17/854985917.db2.gz IPMIMMFVNPEILE-HYVNUMGLSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001214663832 854988469 /nfs/dbraw/zinc/98/84/69/854988469.db2.gz FKNLQFHKDDPYFX-KLHDSHLOSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001214663832 854988474 /nfs/dbraw/zinc/98/84/74/854988474.db2.gz FKNLQFHKDDPYFX-KLHDSHLOSA-N 1 3 352.523 0.925 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861295 855024423 /nfs/dbraw/zinc/02/44/23/855024423.db2.gz PIYUWIWNLDMNPK-RHSMWYFYSA-N 1 3 354.495 0.060 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001214856198 855024481 /nfs/dbraw/zinc/02/44/81/855024481.db2.gz XXUIXCOGBUNIBX-BZUAXINKSA-N 1 3 359.536 0.730 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001214856198 855024493 /nfs/dbraw/zinc/02/44/93/855024493.db2.gz XXUIXCOGBUNIBX-BZUAXINKSA-N 1 3 359.536 0.730 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214861577 855025445 /nfs/dbraw/zinc/02/54/45/855025445.db2.gz YBFPNUVVMYNSGP-DGCLKSJQSA-N 1 3 364.412 0.586 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214862949 855025847 /nfs/dbraw/zinc/02/58/47/855025847.db2.gz ATFMYMZZSFSZHZ-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)NCC1CC1 ZINC001214889075 855028886 /nfs/dbraw/zinc/02/88/86/855028886.db2.gz GYWSYJJJAWIAKO-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)NCC1CC1 ZINC001214889075 855028890 /nfs/dbraw/zinc/02/88/90/855028890.db2.gz GYWSYJJJAWIAKO-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056901 855059176 /nfs/dbraw/zinc/05/91/76/855059176.db2.gz MXYGOHAHOFVCGC-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184590 855078873 /nfs/dbraw/zinc/07/88/73/855078873.db2.gz KJNVXTYWZFYULB-QCZOYZIOSA-N 1 3 351.491 0.713 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215421810 855113145 /nfs/dbraw/zinc/11/31/45/855113145.db2.gz NHNJGPRFGHNCJX-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO CC(C)[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453519 855117136 /nfs/dbraw/zinc/11/71/36/855117136.db2.gz GOJQEZZWPONCNH-BFYDXBDKSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458669 855117211 /nfs/dbraw/zinc/11/72/11/855117211.db2.gz DTEGOQVEXJCAJJ-HZPDHXFCSA-N 1 3 356.511 0.306 20 0 FCADHO CC(C)[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453520 855117263 /nfs/dbraw/zinc/11/72/63/855117263.db2.gz GOJQEZZWPONCNH-HLLBOEOZSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@H](NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccco1 ZINC001215463431 855118326 /nfs/dbraw/zinc/11/83/26/855118326.db2.gz WTIUBIXGFXJNLP-QLFBSQMISA-N 1 3 350.463 0.845 20 0 FCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215558403 855128261 /nfs/dbraw/zinc/12/82/61/855128261.db2.gz RYAKTYXUKWSKLQ-IJEWVQPXSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCCCC1 ZINC001215774380 855144985 /nfs/dbraw/zinc/14/49/85/855144985.db2.gz NMADVJDBBUROTG-HLLBOEOZSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001215990231 855163078 /nfs/dbraw/zinc/16/30/78/855163078.db2.gz XIFFWCXPAKGSIV-OWCLPIDISA-N 1 3 356.511 0.306 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216002690 855164353 /nfs/dbraw/zinc/16/43/53/855164353.db2.gz ZGKYCJKVNRHRDK-HZSPNIEDSA-N 1 3 369.428 0.705 20 0 FCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216053428 855166496 /nfs/dbraw/zinc/16/64/96/855166496.db2.gz MUNCTPHTTVVVAS-HLLBOEOZSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001216382854 855196847 /nfs/dbraw/zinc/19/68/47/855196847.db2.gz DVZVPONMQXCICJ-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001216382854 855196850 /nfs/dbraw/zinc/19/68/50/855196850.db2.gz DVZVPONMQXCICJ-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001216490636 855207502 /nfs/dbraw/zinc/20/75/02/855207502.db2.gz HUVCQQAWHDZFRN-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001216490636 855207509 /nfs/dbraw/zinc/20/75/09/855207509.db2.gz HUVCQQAWHDZFRN-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216844997 855256235 /nfs/dbraw/zinc/25/62/35/855256235.db2.gz SVJIEYHMFDEKKJ-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852056 855259770 /nfs/dbraw/zinc/25/97/70/855259770.db2.gz NAOHNQYJQIHYON-HUUCEWRRSA-N 1 3 362.540 0.093 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216852397 855260684 /nfs/dbraw/zinc/26/06/84/855260684.db2.gz XXCOVKJHNWPODY-HZSPNIEDSA-N 1 3 369.428 0.703 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216852200 855260736 /nfs/dbraw/zinc/26/07/36/855260736.db2.gz RSFZJPYEEYZGRH-HYVNUMGLSA-N 1 3 350.507 0.917 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218471275 855428527 /nfs/dbraw/zinc/42/85/27/855428527.db2.gz FYGNLXKFWWQFCJ-GARJFASQSA-N 1 3 350.419 0.138 20 0 FCADHO COC(=O)c1nc(Br)cnc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218524081 855434021 /nfs/dbraw/zinc/43/40/21/855434021.db2.gz IRROOCXJAOPOCS-ZETCQYMHSA-N 1 3 360.212 0.421 20 0 FCADHO CCOc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cnc1Br ZINC001218580175 855443582 /nfs/dbraw/zinc/44/35/82/855443582.db2.gz XVUMZQWXYRMOGS-SNVBAGLBSA-N 1 3 355.236 0.990 20 0 FCADHO Nc1cnc(NC(=O)[C@@H](N)CCCC[NH3+])c(I)c1 ZINC001218680217 855463530 /nfs/dbraw/zinc/46/35/30/855463530.db2.gz VQARGZQLPKLHNO-VIFPVBQESA-N 1 3 363.203 0.663 20 0 FCADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710246 855468230 /nfs/dbraw/zinc/46/82/30/855468230.db2.gz DGXDRHHTPZSRCL-NWDGAFQWSA-N 1 3 368.459 0.452 20 0 FCADHO CC(C)(C)N(C(=O)[C@H]1C[NH2+]CC12CNC2)S(=O)(=O)c1cccc(N)c1 ZINC001218846780 855485686 /nfs/dbraw/zinc/48/56/86/855485686.db2.gz JQLIPCNYBJCXNK-CQSZACIVSA-N 1 3 366.487 0.394 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(OC)cc1Cl ZINC001218984885 855506644 /nfs/dbraw/zinc/50/66/44/855506644.db2.gz ZKKMVAIRQWUHBQ-SNVBAGLBSA-N 1 3 353.806 0.883 20 0 FCADHO COc1ccc(Br)c(NC(=O)[C@@H](N)CCC[NH3+])c1C(N)=O ZINC001219078328 855539297 /nfs/dbraw/zinc/53/92/97/855539297.db2.gz GOJVOIDOPCKJCW-QMMMGPOBSA-N 1 3 359.224 0.561 20 0 FCADHO COc1ccc(Br)c(NC(=O)[C@H](N)CCC[NH3+])c1C(N)=O ZINC001219078327 855539490 /nfs/dbraw/zinc/53/94/90/855539490.db2.gz GOJVOIDOPCKJCW-MRVPVSSYSA-N 1 3 359.224 0.561 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCC[NH3+])c(OC)c(OC(C)=O)c1 ZINC001219164399 855568529 /nfs/dbraw/zinc/56/85/29/855568529.db2.gz ZOVRWYJTCTYWCA-NSHDSACASA-N 1 3 353.375 0.412 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)CC(F)F)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503335 855696524 /nfs/dbraw/zinc/69/65/24/855696524.db2.gz HBNHBBDBMGYWDP-XXFAHNHDSA-N 1 3 354.357 0.799 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650586 855755731 /nfs/dbraw/zinc/75/57/31/855755731.db2.gz PPVSXWIWVRHPRU-QMHWVQJVSA-N 1 3 372.579 0.960 20 0 FCADHO [NH3+][C@H]1CCCN([C@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)c2ccsc2)C1 ZINC001219847565 855844484 /nfs/dbraw/zinc/84/44/84/855844484.db2.gz KVXJLIILANKMTL-QUSNUVHPSA-N 1 3 364.515 0.848 20 0 FCADHO CC[C@H](CN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1)OC ZINC001219919898 855878554 /nfs/dbraw/zinc/87/85/54/855878554.db2.gz SHZGAXWXCGSGFO-ZACQAIPSSA-N 1 3 350.463 0.494 20 0 FCADHO CC[C@@H](CN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1)OC ZINC001219919897 855878964 /nfs/dbraw/zinc/87/89/64/855878964.db2.gz SHZGAXWXCGSGFO-BBWFWOEESA-N 1 3 350.463 0.494 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020823 855921638 /nfs/dbraw/zinc/92/16/38/855921638.db2.gz XDNDCTQNADFNMD-JKOKRWQUSA-N 1 3 368.507 0.073 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220263587 856035014 /nfs/dbraw/zinc/03/50/14/856035014.db2.gz QCAMSFFGRJXBOD-OAHLLOKOSA-N 1 3 354.476 0.022 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O)[NH+](C)C ZINC001220297166 856050307 /nfs/dbraw/zinc/05/03/07/856050307.db2.gz NUJQVKYMWXWQNB-FGTMMUONSA-N 1 3 355.523 0.941 20 0 FCADHO Cn1cc(Br)c(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001220334857 856071434 /nfs/dbraw/zinc/07/14/34/856071434.db2.gz DMWJKWUKEGHBTE-LLVKDONJSA-N 1 3 356.268 0.673 20 0 FCADHO Cn1cc(Br)c(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001220334857 856071439 /nfs/dbraw/zinc/07/14/39/856071439.db2.gz DMWJKWUKEGHBTE-LLVKDONJSA-N 1 3 356.268 0.673 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220478783 856146826 /nfs/dbraw/zinc/14/68/26/856146826.db2.gz KNAUBAGCRFJYOG-FGTMMUONSA-N 1 3 353.507 0.695 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728542 856266212 /nfs/dbraw/zinc/26/62/12/856266212.db2.gz PPBCNRVHXWBBCR-MSOLQXFVSA-N 1 3 353.507 0.696 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803326 856309068 /nfs/dbraw/zinc/30/90/68/856309068.db2.gz DWPXIBWXHLRZKG-VWYCJHECSA-N 1 3 353.385 0.963 20 0 FCADHO O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221128275 856473621 /nfs/dbraw/zinc/47/36/21/856473621.db2.gz LPCJEBQJYSLFRB-OAHLLOKOSA-N 1 3 369.531 0.439 20 0 FCADHO CC(C)(C)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001221195103 856510381 /nfs/dbraw/zinc/51/03/81/856510381.db2.gz YWLHYPWUAQLJEV-GJZGRUSLSA-N 1 3 353.511 0.033 20 0 FCADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221950385 856745648 /nfs/dbraw/zinc/74/56/48/856745648.db2.gz FSNXRZNEYCVLDJ-IXDOHACOSA-N 1 3 353.507 0.912 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001226564977 857109969 /nfs/dbraw/zinc/10/99/69/857109969.db2.gz RVXPMNKGJYYHTE-BZUAXINKSA-N 1 3 356.486 0.962 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227056729 857138585 /nfs/dbraw/zinc/13/85/85/857138585.db2.gz JTHXWIOOUXVEJH-MGPQQGTHSA-N 1 3 355.483 0.189 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801711 857287640 /nfs/dbraw/zinc/28/76/40/857287640.db2.gz UHMDYCQZLOCKAH-ZIAGYGMSSA-N 1 3 355.483 0.191 20 0 FCADHO CN(C)S(=O)(=O)N1CC2(C1)CCCN(CC1(C)CC[NH+](C)CC1)C2 ZINC001279477148 862905440 /nfs/dbraw/zinc/90/54/40/862905440.db2.gz HXYKXACOJCYWIB-UHFFFAOYSA-N 1 3 358.552 0.923 20 0 FCADHO CC1(C)[NH2+]C[C@@H](CN2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235469064 857425013 /nfs/dbraw/zinc/42/50/13/857425013.db2.gz YFVDTNJYNCGDGA-QXSJWSMHSA-N 1 3 353.463 0.459 20 0 FCADHO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238226069 857464092 /nfs/dbraw/zinc/46/40/92/857464092.db2.gz DXGBJRHCIWVEFY-HNNXBMFYSA-N 1 3 366.487 0.798 20 0 FCADHO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238226069 857464095 /nfs/dbraw/zinc/46/40/95/857464095.db2.gz DXGBJRHCIWVEFY-HNNXBMFYSA-N 1 3 366.487 0.798 20 0 FCADHO NCCS(=O)(=O)NC1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001238397160 857470961 /nfs/dbraw/zinc/47/09/61/857470961.db2.gz ZFSBFJYMRKGVLV-UHFFFAOYSA-N 1 3 362.293 0.906 20 0 FCADHO NCCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001239077299 857507483 /nfs/dbraw/zinc/50/74/83/857507483.db2.gz GALMVSCVCFPTSF-QZTJIDSGSA-N 1 3 371.547 0.735 20 0 FCADHO NCCS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001239077299 857507490 /nfs/dbraw/zinc/50/74/90/857507490.db2.gz GALMVSCVCFPTSF-QZTJIDSGSA-N 1 3 371.547 0.735 20 0 FCADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)CCN)C[C@@H]21 ZINC001239083746 857511712 /nfs/dbraw/zinc/51/17/12/857511712.db2.gz HDAXTUWMBGPKHQ-HYVNUMGLSA-N 1 3 352.504 0.902 20 0 FCADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)CCN)C[C@@H]21 ZINC001239083746 857511714 /nfs/dbraw/zinc/51/17/14/857511714.db2.gz HDAXTUWMBGPKHQ-HYVNUMGLSA-N 1 3 352.504 0.902 20 0 FCADHO CC(C)C(=O)N1CCC[C@@]2(C1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750342 857597607 /nfs/dbraw/zinc/59/76/07/857597607.db2.gz ULVOKBKNYGEWQD-LPHOPBHVSA-N 1 3 350.507 0.430 20 0 FCADHO COC(=O)[C@@H](N)[C@H]1CCCN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926498 857606453 /nfs/dbraw/zinc/60/64/53/857606453.db2.gz TXZJNIJBIVRUQP-KKKMWLMNSA-N 1 3 353.463 0.271 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001253182669 857869003 /nfs/dbraw/zinc/86/90/03/857869003.db2.gz SGXVEVGDRJGILF-RTBURBONSA-N 1 3 357.539 0.750 20 0 FCADHO O=S1(=O)CCN(CCC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256684939 858095638 /nfs/dbraw/zinc/09/56/38/858095638.db2.gz WBYIEOASZQLWHJ-UHFFFAOYSA-N 1 3 359.536 0.340 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC001258150015 858180494 /nfs/dbraw/zinc/18/04/94/858180494.db2.gz WPVFWCGLZHPSLW-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001264098294 859311490 /nfs/dbraw/zinc/31/14/90/859311490.db2.gz DUNGTDIPUTYDDD-FGTMMUONSA-N 1 3 353.507 0.506 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001264098294 859311495 /nfs/dbraw/zinc/31/14/95/859311495.db2.gz DUNGTDIPUTYDDD-FGTMMUONSA-N 1 3 353.507 0.506 20 0 FCADHO CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001270096137 859651368 /nfs/dbraw/zinc/65/13/68/859651368.db2.gz RFIKKAHRHSULBV-UHFFFAOYSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822541 860272517 /nfs/dbraw/zinc/27/25/17/860272517.db2.gz YPJKKEYUKMJHSV-QFBILLFUSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822541 860272523 /nfs/dbraw/zinc/27/25/23/860272523.db2.gz YPJKKEYUKMJHSV-QFBILLFUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)N1CCCC1 ZINC001273500752 860509751 /nfs/dbraw/zinc/50/97/51/860509751.db2.gz HMHYCJHWZVMTFX-PKOBYXMFSA-N 1 3 352.523 0.726 20 0 FCADHO CC[NH+](CC)CCC(=O)N1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001275053749 860920521 /nfs/dbraw/zinc/92/05/21/860920521.db2.gz NRCWXOPOCBQNFL-CALCHBBNSA-N 1 3 352.523 0.977 20 0 FCADHO C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3CN(C[C@H]4CCOC4)C[C@H]23)CC1 ZINC001279891648 863118787 /nfs/dbraw/zinc/11/87/87/863118787.db2.gz DVFHFECPLOBDNH-VNQPRFMTSA-N 1 3 350.463 0.262 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@@H]2COCCC23CN(C[C@@H]2CCCO2)C3)CC1 ZINC001280191053 863319771 /nfs/dbraw/zinc/31/97/71/863319771.db2.gz CELQMWOOTKQOPJ-IRXDYDNUSA-N 1 3 351.491 0.714 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001282307133 864180931 /nfs/dbraw/zinc/18/09/31/864180931.db2.gz SPCJEQROLAQEFA-SJORKVTESA-N 1 3 352.523 0.977 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001282307133 864180939 /nfs/dbraw/zinc/18/09/39/864180939.db2.gz SPCJEQROLAQEFA-SJORKVTESA-N 1 3 352.523 0.977 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](OC)C1 ZINC001289500046 865102309 /nfs/dbraw/zinc/10/23/09/865102309.db2.gz RXECTIMQPORFMH-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](OC)C1 ZINC001289500046 865102311 /nfs/dbraw/zinc/10/23/11/865102311.db2.gz RXECTIMQPORFMH-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)N(C)C ZINC001289535221 865122848 /nfs/dbraw/zinc/12/28/48/865122848.db2.gz CZYCEWNKADOHEE-RBSFLKMASA-N 1 3 354.495 0.010 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN3CCNC3=S)CC2)CC1 ZINC001306135983 866605862 /nfs/dbraw/zinc/60/58/62/866605862.db2.gz HIDRMTGDECMIEG-UHFFFAOYSA-N 1 3 367.563 0.489 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001311531501 867109502 /nfs/dbraw/zinc/10/95/02/867109502.db2.gz ABWKXERNBQUJBQ-MRXNPFEDSA-N 1 3 355.527 0.158 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001311531501 867109510 /nfs/dbraw/zinc/10/95/10/867109510.db2.gz ABWKXERNBQUJBQ-MRXNPFEDSA-N 1 3 355.527 0.158 20 0 FCADHO CNC(=O)CCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001320119889 868087512 /nfs/dbraw/zinc/08/75/12/868087512.db2.gz HOGRZEVRYNHUIU-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546641 868511288 /nfs/dbraw/zinc/51/12/88/868511288.db2.gz HNEVHHDLXSHDCI-WMLDXEAASA-N 1 3 354.520 0.237 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546641 868511295 /nfs/dbraw/zinc/51/12/95/868511295.db2.gz HNEVHHDLXSHDCI-WMLDXEAASA-N 1 3 354.520 0.237 20 0 FCADHO [NH3+]CCCCn1cc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)nn1 ZINC001327196885 870711731 /nfs/dbraw/zinc/71/17/31/870711731.db2.gz YAWDCDHZCVTRMB-OAHLLOKOSA-N 1 3 350.467 0.390 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1 ZINC001327504184 870912914 /nfs/dbraw/zinc/91/29/14/870912914.db2.gz NZAUXNNYNAPXTN-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC001328768239 871614416 /nfs/dbraw/zinc/61/44/16/871614416.db2.gz JEIDIBCBUAVTRW-AWEZNQCLSA-N 1 3 352.454 0.830 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001328846841 871663111 /nfs/dbraw/zinc/66/31/11/871663111.db2.gz VSSWOARTYBUQSC-BZSNNMDCSA-N 1 3 352.523 0.759 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC001346237290 871721091 /nfs/dbraw/zinc/72/10/91/871721091.db2.gz OTIDEIKIWOASCW-INIZCTEOSA-N 1 3 354.495 0.637 20 0 FCADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001330006951 872415517 /nfs/dbraw/zinc/41/55/17/872415517.db2.gz CVRLSMILIIUXAI-GVDBMIGSSA-N 1 3 353.532 0.871 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119789 872968163 /nfs/dbraw/zinc/96/81/63/872968163.db2.gz PXTJMZKWAJSQCG-VIQHNZTISA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574956753 949586997 /nfs/dbraw/zinc/58/69/97/949586997.db2.gz MXWIAOLZSQGZKB-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574956753 949587011 /nfs/dbraw/zinc/58/70/11/949587011.db2.gz MXWIAOLZSQGZKB-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574956753 949587025 /nfs/dbraw/zinc/58/70/25/949587025.db2.gz MXWIAOLZSQGZKB-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574956753 949587040 /nfs/dbraw/zinc/58/70/40/949587040.db2.gz MXWIAOLZSQGZKB-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001575090273 951758942 /nfs/dbraw/zinc/75/89/42/951758942.db2.gz KFTONEMJBZFOCV-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)CC1 ZINC000293128765 214147822 /nfs/dbraw/zinc/14/78/22/214147822.db2.gz IRCNCLWQEUSAAI-AWEZNQCLSA-N 1 3 364.494 0.792 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000410558160 529886325 /nfs/dbraw/zinc/88/63/25/529886325.db2.gz POAYTZMMIHLPHD-IBGZPJMESA-N 1 3 350.507 0.875 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951731 530064929 /nfs/dbraw/zinc/06/49/29/530064929.db2.gz GDHJMVCSPXIKRI-QKLQHJQFSA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951731 530064930 /nfs/dbraw/zinc/06/49/30/530064930.db2.gz GDHJMVCSPXIKRI-QKLQHJQFSA-N 1 3 362.518 0.873 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000331552715 215014932 /nfs/dbraw/zinc/01/49/32/215014932.db2.gz WZEKXZSBPLUTPH-LOUJCGABSA-N 1 3 354.520 0.126 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)N1CCC(C)CC1 ZINC000331600747 215021855 /nfs/dbraw/zinc/02/18/55/215021855.db2.gz ZRZGRAOLSNWCAG-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)N1CCC(C)CC1 ZINC000331600747 215021856 /nfs/dbraw/zinc/02/18/56/215021856.db2.gz ZRZGRAOLSNWCAG-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000331859592 215058561 /nfs/dbraw/zinc/05/85/61/215058561.db2.gz FRBWVXIBDYROOA-SFHVURJKSA-N 1 3 353.507 0.935 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000331859592 215058564 /nfs/dbraw/zinc/05/85/64/215058564.db2.gz FRBWVXIBDYROOA-SFHVURJKSA-N 1 3 353.507 0.935 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248953 215116165 /nfs/dbraw/zinc/11/61/65/215116165.db2.gz CBPMACIADSIEGK-HLLBOEOZSA-N 1 3 366.506 0.155 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332462416 215156339 /nfs/dbraw/zinc/15/63/39/215156339.db2.gz JPDGJKKMVWGJBF-ARFHVFGLSA-N 1 3 351.495 0.452 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000332509710 215163451 /nfs/dbraw/zinc/16/34/51/215163451.db2.gz YXDNQGHTCOLXQS-BRWVUGGUSA-N 1 3 366.506 0.284 20 0 FCADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cnc(N4CCNCC4)nc3)C2)C1 ZINC000333318342 215262594 /nfs/dbraw/zinc/26/25/94/215262594.db2.gz MPNUTYZKFPSENW-GOSISDBHSA-N 1 3 359.478 0.836 20 0 FCADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cnc(N4CCNCC4)nc3)C2)C1 ZINC000333318342 215262597 /nfs/dbraw/zinc/26/25/97/215262597.db2.gz MPNUTYZKFPSENW-GOSISDBHSA-N 1 3 359.478 0.836 20 0 FCADHO O=C(NCCN1CCSCC1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333297343 215260640 /nfs/dbraw/zinc/26/06/40/215260640.db2.gz ILMYMCSXCRDHEX-UHFFFAOYSA-N 1 3 355.552 0.551 20 0 FCADHO O=C(NCCN1CCSCC1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333297343 215260642 /nfs/dbraw/zinc/26/06/42/215260642.db2.gz ILMYMCSXCRDHEX-UHFFFAOYSA-N 1 3 355.552 0.551 20 0 FCADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000333494936 215289854 /nfs/dbraw/zinc/28/98/54/215289854.db2.gz DSZNXIFLJGYXPW-MCIONIFRSA-N 1 3 363.428 0.558 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000333639483 215303889 /nfs/dbraw/zinc/30/38/89/215303889.db2.gz HWKVOZRLXSMPOJ-HRCADAONSA-N 1 3 351.495 0.323 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)C[C@H](C)O1 ZINC000333768816 215317590 /nfs/dbraw/zinc/31/75/90/215317590.db2.gz BRTHIMKPFAIHIW-SOLBZPMBSA-N 1 3 368.522 0.896 20 0 FCADHO C[C@@H]1NC(=O)N(CCN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000333803946 215320212 /nfs/dbraw/zinc/32/02/12/215320212.db2.gz DXASZPAVTMZASM-KFWWJZLASA-N 1 3 352.479 0.748 20 0 FCADHO CN1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)(N2CCOCC2)CC1 ZINC000334134121 215347668 /nfs/dbraw/zinc/34/76/68/215347668.db2.gz WYZVCEHSVIWMOJ-QGZVFWFLSA-N 1 3 365.522 0.273 20 0 FCADHO CN1CCC(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)(N2CCOCC2)CC1 ZINC000334134121 215347671 /nfs/dbraw/zinc/34/76/71/215347671.db2.gz WYZVCEHSVIWMOJ-QGZVFWFLSA-N 1 3 365.522 0.273 20 0 FCADHO CN1CCC(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)(N2CCOCC2)CC1 ZINC000334137059 215348053 /nfs/dbraw/zinc/34/80/53/215348053.db2.gz ZFFXHKQQYKZLGA-QGZVFWFLSA-N 1 3 367.538 0.519 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000285168395 213295095 /nfs/dbraw/zinc/29/50/95/213295095.db2.gz UUHQKQGEPKLSBO-OAHLLOKOSA-N 1 3 373.501 0.934 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000285168395 213295098 /nfs/dbraw/zinc/29/50/98/213295098.db2.gz UUHQKQGEPKLSBO-OAHLLOKOSA-N 1 3 373.501 0.934 20 0 FCADHO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)N(C)C1 ZINC000285046988 213272379 /nfs/dbraw/zinc/27/23/79/213272379.db2.gz JETRQJDVGQCRNY-HOTGVXAUSA-N 1 3 350.463 0.813 20 0 FCADHO CN(CCNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000284919807 213248426 /nfs/dbraw/zinc/24/84/26/213248426.db2.gz INEOFJVAQYPLSC-UHFFFAOYSA-N 1 3 362.474 0.454 20 0 FCADHO CN(CCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000284411557 213134232 /nfs/dbraw/zinc/13/42/32/213134232.db2.gz BPMKGZPIIFAVGH-UHFFFAOYSA-N 1 3 359.474 0.625 20 0 FCADHO CN(CCNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000284386471 213127300 /nfs/dbraw/zinc/12/73/00/213127300.db2.gz HMINGGJPAKTREU-UHFFFAOYSA-N 1 3 362.474 0.454 20 0 FCADHO CN(CCNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000283959638 213043264 /nfs/dbraw/zinc/04/32/64/213043264.db2.gz HYGFOCQOVQCMOX-UHFFFAOYSA-N 1 3 358.486 0.761 20 0 FCADHO CN(CCNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000283959638 213043267 /nfs/dbraw/zinc/04/32/67/213043267.db2.gz HYGFOCQOVQCMOX-UHFFFAOYSA-N 1 3 358.486 0.761 20 0 FCADHO NC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)Cc2ccccc2C1 ZINC000367178085 216087874 /nfs/dbraw/zinc/08/78/74/216087874.db2.gz GOMUTOHYWJMRMU-AWEZNQCLSA-N 1 3 356.392 0.435 20 0 FCADHO C[C@H]1CCCN(CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367648376 216145750 /nfs/dbraw/zinc/14/57/50/216145750.db2.gz HTPSDNZMSGMYJA-HNNXBMFYSA-N 1 3 359.536 0.782 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)N(C)C2CC2)CC1=O ZINC000246529960 209388749 /nfs/dbraw/zinc/38/87/49/209388749.db2.gz WNABXEBMODNAIL-ZMSDIMECSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)N(C)C2CC2)CC1=O ZINC000246529960 209388751 /nfs/dbraw/zinc/38/87/51/209388751.db2.gz WNABXEBMODNAIL-ZMSDIMECSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000245386695 209365572 /nfs/dbraw/zinc/36/55/72/209365572.db2.gz PWXLWDXAZJJQKD-ZHALLVOQSA-N 1 3 355.523 0.501 20 0 FCADHO COCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245912083 209375653 /nfs/dbraw/zinc/37/56/53/209375653.db2.gz RJPKYIJSOJVRDG-QZTJIDSGSA-N 1 3 364.490 0.499 20 0 FCADHO COCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245912083 209375658 /nfs/dbraw/zinc/37/56/58/209375658.db2.gz RJPKYIJSOJVRDG-QZTJIDSGSA-N 1 3 364.490 0.499 20 0 FCADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCN1C1CCOCC1 ZINC000245706059 209374173 /nfs/dbraw/zinc/37/41/73/209374173.db2.gz OGGAXRPEBCKWHE-QZTJIDSGSA-N 1 3 353.507 0.983 20 0 FCADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCN1C1CCOCC1 ZINC000245706059 209374176 /nfs/dbraw/zinc/37/41/76/209374176.db2.gz OGGAXRPEBCKWHE-QZTJIDSGSA-N 1 3 353.507 0.983 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000236832842 209344317 /nfs/dbraw/zinc/34/43/17/209344317.db2.gz QFZUWASOWOVTJW-YESZJQIVSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000189182741 209246866 /nfs/dbraw/zinc/24/68/66/209246866.db2.gz YQWGPVAQMPGRMH-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122968 209223439 /nfs/dbraw/zinc/22/34/39/209223439.db2.gz QJDILPBXNNZDFA-QFBILLFUSA-N 1 3 354.539 0.909 20 0 FCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000187941477 209221747 /nfs/dbraw/zinc/22/17/47/209221747.db2.gz JPDUPOPJWCKLNA-BHYGNILZSA-N 1 3 360.458 0.699 20 0 FCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000187941477 209221750 /nfs/dbraw/zinc/22/17/50/209221750.db2.gz JPDUPOPJWCKLNA-BHYGNILZSA-N 1 3 360.458 0.699 20 0 FCADHO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCCN3C)c2)CC1 ZINC000187169142 209206907 /nfs/dbraw/zinc/20/69/07/209206907.db2.gz IEAZMZLKVIRWGZ-GOSISDBHSA-N 1 3 373.501 0.977 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000187076365 209204895 /nfs/dbraw/zinc/20/48/95/209204895.db2.gz YNQPAZRKMGEEIM-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO C[C@H](CO)N(Cc1ccccc1C[N@H+](C[C@H](C)O)[C@H](C)CO)C[C@H](C)O ZINC000276216396 212188744 /nfs/dbraw/zinc/18/87/44/212188744.db2.gz PSPSBSZLYZIIIR-BDXSIMOUSA-N 1 3 368.518 0.814 20 0 FCADHO C[C@H](CO)N(Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@H](C)CO)C[C@H](C)O ZINC000276216396 212188747 /nfs/dbraw/zinc/18/87/47/212188747.db2.gz PSPSBSZLYZIIIR-BDXSIMOUSA-N 1 3 368.518 0.814 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275932407 212122223 /nfs/dbraw/zinc/12/22/23/212122223.db2.gz YDJRGHXJLSQEGH-UHFFFAOYSA-N 1 3 350.463 0.160 20 0 FCADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000275420717 212024273 /nfs/dbraw/zinc/02/42/73/212024273.db2.gz MMNZEBIZKXPJKT-SFHVURJKSA-N 1 3 350.463 0.158 20 0 FCADHO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414751957 245318882 /nfs/dbraw/zinc/31/88/82/245318882.db2.gz BCGVGGOKBOKJPQ-MRXNPFEDSA-N 1 3 363.458 0.868 20 0 FCADHO COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414751957 245318886 /nfs/dbraw/zinc/31/88/86/245318886.db2.gz BCGVGGOKBOKJPQ-MRXNPFEDSA-N 1 3 363.458 0.868 20 0 FCADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783215 217171871 /nfs/dbraw/zinc/17/18/71/217171871.db2.gz WGTHVKYRGKENEY-GOSISDBHSA-N 1 3 351.539 0.251 20 0 FCADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000374783215 217171876 /nfs/dbraw/zinc/17/18/76/217171876.db2.gz WGTHVKYRGKENEY-GOSISDBHSA-N 1 3 351.539 0.251 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)CN1CCN(C)CC1 ZINC000183088063 209140744 /nfs/dbraw/zinc/14/07/44/209140744.db2.gz BLJBTMDFMAQAFD-KURKYZTESA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)CN1CCN(C)CC1 ZINC000183088063 209140747 /nfs/dbraw/zinc/14/07/47/209140747.db2.gz BLJBTMDFMAQAFD-KURKYZTESA-N 1 3 351.539 0.996 20 0 FCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000182897898 209139284 /nfs/dbraw/zinc/13/92/84/209139284.db2.gz ZQGSLPYNDVMONX-PKOBYXMFSA-N 1 3 364.490 0.365 20 0 FCADHO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000418715153 245819289 /nfs/dbraw/zinc/81/92/89/245819289.db2.gz IGDNGBUVUAZFCI-HOTGVXAUSA-N 1 3 351.495 0.454 20 0 FCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419126196 246001465 /nfs/dbraw/zinc/00/14/65/246001465.db2.gz VSFSVKNJUFOJKR-RBSFLKMASA-N 1 3 354.495 0.596 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419154327 246019497 /nfs/dbraw/zinc/01/94/97/246019497.db2.gz RHCHIAATADTGKF-KBPBESRZSA-N 1 3 352.504 0.787 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419159818 246023323 /nfs/dbraw/zinc/02/33/23/246023323.db2.gz ZPJPPNFFWHZCEE-IVMMDQJWSA-N 1 3 350.438 0.535 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419132323 246006657 /nfs/dbraw/zinc/00/66/57/246006657.db2.gz HHQXWRVKOULNRJ-MELADBBJSA-N 1 3 356.511 0.698 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1[NH3+] ZINC000419162979 246025692 /nfs/dbraw/zinc/02/56/92/246025692.db2.gz IIWOXAHCGXIPKU-KBAYOESNSA-N 1 3 374.485 0.199 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419169000 246030875 /nfs/dbraw/zinc/03/08/75/246030875.db2.gz TXYUXXUKYUBUKA-ZWKOTPCHSA-N 1 3 374.485 0.262 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419167961 246031205 /nfs/dbraw/zinc/03/12/05/246031205.db2.gz JYNQCAPYGONCDA-RRFJBIMHSA-N 1 3 354.495 0.452 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419167961 246031208 /nfs/dbraw/zinc/03/12/08/246031208.db2.gz JYNQCAPYGONCDA-RRFJBIMHSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172509 246032067 /nfs/dbraw/zinc/03/20/67/246032067.db2.gz ZCOIUJSVNAZQQG-WBVHZDCISA-N 1 3 362.474 0.199 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419176465 246034159 /nfs/dbraw/zinc/03/41/59/246034159.db2.gz ZFQLJXNJRGDOGC-CVEARBPZSA-N 1 3 354.495 0.333 20 0 FCADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000419174311 246035927 /nfs/dbraw/zinc/03/59/27/246035927.db2.gz VCWCOCPLIDJINM-QZTJIDSGSA-N 1 3 358.486 0.617 20 0 FCADHO NC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000419174311 246035928 /nfs/dbraw/zinc/03/59/28/246035928.db2.gz VCWCOCPLIDJINM-QZTJIDSGSA-N 1 3 358.486 0.617 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000419215883 246059189 /nfs/dbraw/zinc/05/91/89/246059189.db2.gz OKCZZHRAOSJTGD-IAGOWNOFSA-N 1 3 374.485 0.311 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000419215880 246060315 /nfs/dbraw/zinc/06/03/15/246060315.db2.gz OKCZZHRAOSJTGD-DLBZAZTESA-N 1 3 374.485 0.311 20 0 FCADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227202 246065658 /nfs/dbraw/zinc/06/56/58/246065658.db2.gz JYAJEOPLKWAQQZ-SJORKVTESA-N 1 3 350.507 0.955 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419202294 246049728 /nfs/dbraw/zinc/04/97/28/246049728.db2.gz GYZQWBYHTNOKJK-HOTGVXAUSA-N 1 3 362.474 0.629 20 0 FCADHO C[NH+]1CCC(CN[C@@H](Cc2ccccc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316473 246095209 /nfs/dbraw/zinc/09/52/09/246095209.db2.gz QGNTYTSQONTTRQ-SFHVURJKSA-N 1 3 360.502 0.469 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329934 246101880 /nfs/dbraw/zinc/10/18/80/246101880.db2.gz HKHXSDZRZAOWRK-PWUKJLEFSA-N 1 3 374.460 0.678 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419369934 246119610 /nfs/dbraw/zinc/11/96/10/246119610.db2.gz GMZADNPDNCFBTC-HNNXBMFYSA-N 1 3 358.486 0.318 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419369756 246120306 /nfs/dbraw/zinc/12/03/06/246120306.db2.gz GAHYHLRDIPEQGI-HUUCEWRRSA-N 1 3 358.486 0.398 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419370821 246123703 /nfs/dbraw/zinc/12/37/03/246123703.db2.gz KECDTQHSGHWBEZ-QGZVFWFLSA-N 1 3 350.507 0.895 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419380048 246125494 /nfs/dbraw/zinc/12/54/94/246125494.db2.gz WXCNUQSWPFRBKT-QGZVFWFLSA-N 1 3 358.486 0.412 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419415790 246150148 /nfs/dbraw/zinc/15/01/48/246150148.db2.gz GNVATMQLMRUJFD-QZTJIDSGSA-N 1 3 358.486 0.937 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399231 246134272 /nfs/dbraw/zinc/13/42/72/246134272.db2.gz JHLQWRMAFPYNJO-BMGDILEWSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399231 246134277 /nfs/dbraw/zinc/13/42/77/246134277.db2.gz JHLQWRMAFPYNJO-BMGDILEWSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419407948 246143082 /nfs/dbraw/zinc/14/30/82/246143082.db2.gz LALSANCJYGWWLP-DOTOQJQBSA-N 1 3 350.507 0.825 20 0 FCADHO CCN(CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1CC1 ZINC000419522460 246190994 /nfs/dbraw/zinc/19/09/94/246190994.db2.gz MMOBWVNVFAYFBO-DLBZAZTESA-N 1 3 362.449 0.679 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655129 246233039 /nfs/dbraw/zinc/23/30/39/246233039.db2.gz HFQZYCGBAAQWJK-NJAFHUGGSA-N 1 3 374.485 0.260 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655129 246233044 /nfs/dbraw/zinc/23/30/44/246233044.db2.gz HFQZYCGBAAQWJK-NJAFHUGGSA-N 1 3 374.485 0.260 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655127 246234251 /nfs/dbraw/zinc/23/42/51/246234251.db2.gz HFQZYCGBAAQWJK-BPQIPLTHSA-N 1 3 374.485 0.260 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655127 246234256 /nfs/dbraw/zinc/23/42/56/246234256.db2.gz HFQZYCGBAAQWJK-BPQIPLTHSA-N 1 3 374.485 0.260 20 0 FCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419660142 246235394 /nfs/dbraw/zinc/23/53/94/246235394.db2.gz BHBMXWXBCVAVIP-MRXNPFEDSA-N 1 3 361.490 0.904 20 0 FCADHO O=C(NCCC[NH2+]C1CC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419662200 246235603 /nfs/dbraw/zinc/23/56/03/246235603.db2.gz HFYUXKUXPUJPCM-UHFFFAOYSA-N 1 3 359.474 0.673 20 0 FCADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419653485 246230279 /nfs/dbraw/zinc/23/02/79/246230279.db2.gz QWMHQNOCULAUTB-GOEBONIOSA-N 1 3 362.474 0.418 20 0 FCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419660141 246236085 /nfs/dbraw/zinc/23/60/85/246236085.db2.gz BHBMXWXBCVAVIP-INIZCTEOSA-N 1 3 361.490 0.904 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)[C@H](C[NH3+])C1 ZINC000419695283 246255140 /nfs/dbraw/zinc/25/51/40/246255140.db2.gz KSWZHHWWEIMNET-YESZJQIVSA-N 1 3 368.522 0.578 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)C(=O)N3CCCNCC3)CCCC2)CC1 ZINC000419752168 246284170 /nfs/dbraw/zinc/28/41/70/246284170.db2.gz LPVUQMLCLHMTSD-UHFFFAOYSA-N 1 3 366.506 0.348 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419759288 246286343 /nfs/dbraw/zinc/28/63/43/246286343.db2.gz XHRJLSOQFIXDBC-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419757789 246287273 /nfs/dbraw/zinc/28/72/73/246287273.db2.gz DCZVMSZNVOINJK-ZWKOTPCHSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419769100 246291398 /nfs/dbraw/zinc/29/13/98/246291398.db2.gz DACMQGRNUVCVIX-MJBXVCDLSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419769100 246291402 /nfs/dbraw/zinc/29/14/02/246291402.db2.gz DACMQGRNUVCVIX-MJBXVCDLSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000419769100 246291407 /nfs/dbraw/zinc/29/14/07/246291407.db2.gz DACMQGRNUVCVIX-MJBXVCDLSA-N 1 3 354.495 0.452 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419829358 246309533 /nfs/dbraw/zinc/30/95/33/246309533.db2.gz PRSODWHDZVFDMY-DOTOQJQBSA-N 1 3 367.538 0.010 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839707 246314863 /nfs/dbraw/zinc/31/48/63/246314863.db2.gz HUOOYWWODJDVEI-HNNXBMFYSA-N 1 3 350.438 0.584 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846086 246317866 /nfs/dbraw/zinc/31/78/66/246317866.db2.gz RALJRHKPVJASSG-QZTJIDSGSA-N 1 3 373.501 0.763 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419849542 246320943 /nfs/dbraw/zinc/32/09/43/246320943.db2.gz YMKSVLTXXFYXIL-UHFFFAOYSA-N 1 3 360.502 0.879 20 0 FCADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419867798 246337359 /nfs/dbraw/zinc/33/73/59/246337359.db2.gz QOXNAQGBWMVFHW-SFHVURJKSA-N 1 3 358.486 0.632 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423173377 246972606 /nfs/dbraw/zinc/97/26/06/246972606.db2.gz YFTHOGDVEFCGCW-MRXNPFEDSA-N 1 3 364.490 0.936 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000423366954 247012790 /nfs/dbraw/zinc/01/27/90/247012790.db2.gz LZGPKCSFJUIQEV-UHFFFAOYSA-N 1 3 350.463 0.628 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000423381375 247015398 /nfs/dbraw/zinc/01/53/98/247015398.db2.gz ZOEZTCTVIGJHJF-AWEZNQCLSA-N 1 3 350.463 0.756 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423590876 247065565 /nfs/dbraw/zinc/06/55/65/247065565.db2.gz JMCIXHNARFLISM-OKZBNKHCSA-N 1 3 358.486 0.881 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423609920 247075794 /nfs/dbraw/zinc/07/57/94/247075794.db2.gz MDVGXVOSKLFZSA-JKSUJKDBSA-N 1 3 364.515 0.706 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423619659 247078356 /nfs/dbraw/zinc/07/83/56/247078356.db2.gz INTFHRCWYTYDNV-HNNXBMFYSA-N 1 3 354.495 0.286 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424497298 247241785 /nfs/dbraw/zinc/24/17/85/247241785.db2.gz WSQYZLZNKCCCFD-IPMKNSEASA-N 1 3 370.497 0.930 20 0 FCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424497233 247241909 /nfs/dbraw/zinc/24/19/09/247241909.db2.gz WNTKOLUZOONSEU-UEXGIBASSA-N 1 3 370.497 0.917 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000424451334 247222121 /nfs/dbraw/zinc/22/21/21/247222121.db2.gz BFGGHKVMLTYYLE-HNNXBMFYSA-N 1 3 361.490 0.534 20 0 FCADHO COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424545925 247257144 /nfs/dbraw/zinc/25/71/44/247257144.db2.gz MDXVMCDXCDQNLR-ZWKOTPCHSA-N 1 3 374.485 0.072 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424547955 247259094 /nfs/dbraw/zinc/25/90/94/247259094.db2.gz PNRDRRMEOQLJDN-IPMKNSEASA-N 1 3 370.497 0.978 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403405 247336211 /nfs/dbraw/zinc/33/62/11/247336211.db2.gz OCNLGXIINVYNQU-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403405 247336215 /nfs/dbraw/zinc/33/62/15/247336215.db2.gz OCNLGXIINVYNQU-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO c1cn([C@H]2CCCN(CCOCC[N@@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500948 247345658 /nfs/dbraw/zinc/34/56/58/247345658.db2.gz DSELMAYSNOSXOW-ROUUACIJSA-N 1 3 374.493 0.860 20 0 FCADHO c1cn([C@H]2CCCN(CCOCC[N@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425500948 247345661 /nfs/dbraw/zinc/34/56/61/247345661.db2.gz DSELMAYSNOSXOW-ROUUACIJSA-N 1 3 374.493 0.860 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425672499 247360482 /nfs/dbraw/zinc/36/04/82/247360482.db2.gz WCPAHKKLJWQVMR-GVDBMIGSSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425672499 247360488 /nfs/dbraw/zinc/36/04/88/247360488.db2.gz WCPAHKKLJWQVMR-GVDBMIGSSA-N 1 3 365.522 0.665 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CN1C1CC1 ZINC000440940337 248224522 /nfs/dbraw/zinc/22/45/22/248224522.db2.gz GSEVVJJFERWREZ-KFWWJZLASA-N 1 3 351.495 0.498 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CN1C1CC1 ZINC000440940337 248224526 /nfs/dbraw/zinc/22/45/26/248224526.db2.gz GSEVVJJFERWREZ-KFWWJZLASA-N 1 3 351.495 0.498 20 0 FCADHO C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000441180160 248240930 /nfs/dbraw/zinc/24/09/30/248240930.db2.gz MGMUEZKFNYUZBN-CJNGLKHVSA-N 1 3 351.495 0.369 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000443633485 248333845 /nfs/dbraw/zinc/33/38/45/248333845.db2.gz QBCWTVMJZBKEIT-ZACQAIPSSA-N 1 3 367.538 0.911 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000443633485 248333847 /nfs/dbraw/zinc/33/38/47/248333847.db2.gz QBCWTVMJZBKEIT-ZACQAIPSSA-N 1 3 367.538 0.911 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000469995004 250018870 /nfs/dbraw/zinc/01/88/70/250018870.db2.gz ZEHBERWCOTWPJX-ZDUSSCGKSA-N 1 3 353.492 0.267 20 0 FCADHO C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000471655855 250113805 /nfs/dbraw/zinc/11/38/05/250113805.db2.gz YYVCRDNVLGRLSP-IAGOWNOFSA-N 1 3 355.527 0.232 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932546 211120508 /nfs/dbraw/zinc/12/05/08/211120508.db2.gz USNIPNIJVFWMDN-CYBMUJFWSA-N 1 3 366.466 0.331 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932546 211120512 /nfs/dbraw/zinc/12/05/12/211120512.db2.gz USNIPNIJVFWMDN-CYBMUJFWSA-N 1 3 366.466 0.331 20 0 FCADHO C[C@H]1CN(CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000092587470 208146337 /nfs/dbraw/zinc/14/63/37/208146337.db2.gz KMAOINRRTJYRBM-GJZGRUSLSA-N 1 3 364.490 0.405 20 0 FCADHO C[C@H]1CN(CCC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000177481788 209025874 /nfs/dbraw/zinc/02/58/74/209025874.db2.gz UBCATZFPNYDCEP-GJZGRUSLSA-N 1 3 352.479 0.750 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)CC1 ZINC000178172057 209044753 /nfs/dbraw/zinc/04/47/53/209044753.db2.gz BPBCYGPDEFTION-CQSZACIVSA-N 1 3 374.489 0.437 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410432868 230077696 /nfs/dbraw/zinc/07/76/96/230077696.db2.gz KNTLUIUWQISHCP-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000410714839 230206245 /nfs/dbraw/zinc/20/62/45/230206245.db2.gz CHCMRWSBOXODJT-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000480073092 484098567 /nfs/dbraw/zinc/09/85/67/484098567.db2.gz ZFNGNGPSZHRPRJ-SFHVURJKSA-N 1 3 362.478 0.328 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000480073092 484098576 /nfs/dbraw/zinc/09/85/76/484098576.db2.gz ZFNGNGPSZHRPRJ-SFHVURJKSA-N 1 3 362.478 0.328 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312940340 488895981 /nfs/dbraw/zinc/89/59/81/488895981.db2.gz PNNORQYBMFQVTG-OALUTQOASA-N 1 3 370.497 0.789 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312940340 488895985 /nfs/dbraw/zinc/89/59/85/488895985.db2.gz PNNORQYBMFQVTG-OALUTQOASA-N 1 3 370.497 0.789 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364163018 488929467 /nfs/dbraw/zinc/92/94/67/488929467.db2.gz OITPGDCVDVWOLI-IAGOWNOFSA-N 1 3 356.511 0.849 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000050797066 488113848 /nfs/dbraw/zinc/11/38/48/488113848.db2.gz NQLQBQPCYXCFAY-UHFFFAOYSA-N 1 3 374.485 0.839 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CCC(=O)N3CCOCC3)CC2)CC1 ZINC000050802083 488115533 /nfs/dbraw/zinc/11/55/33/488115533.db2.gz DBRAHLHUMGFXIJ-UHFFFAOYSA-N 1 3 366.506 0.300 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000562816085 491192002 /nfs/dbraw/zinc/19/20/02/491192002.db2.gz TXLHAYOBNPQLKE-HZPDHXFCSA-N 1 3 351.495 0.324 20 0 FCADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000562827602 491193826 /nfs/dbraw/zinc/19/38/26/491193826.db2.gz IIGYTPZOUCVUGQ-UHFFFAOYSA-N 1 3 372.391 0.684 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000184417282 488396304 /nfs/dbraw/zinc/39/63/04/488396304.db2.gz IXFUATRVNIDXQK-HNNXBMFYSA-N 1 3 351.499 0.592 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000185819440 488402893 /nfs/dbraw/zinc/40/28/93/488402893.db2.gz LENKHAIDIDSOIY-INIZCTEOSA-N 1 3 355.527 0.422 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000077836011 488418781 /nfs/dbraw/zinc/41/87/81/488418781.db2.gz GXFJROZWJKMAHA-UHFFFAOYSA-N 1 3 359.478 0.902 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC000192964717 488425152 /nfs/dbraw/zinc/42/51/52/488425152.db2.gz VZVWHXMIMPAXBD-GASCZTMLSA-N 1 3 355.508 0.244 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103236762 488500961 /nfs/dbraw/zinc/50/09/61/488500961.db2.gz ZPVYXXQQUQTOTR-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103236762 488500963 /nfs/dbraw/zinc/50/09/63/488500963.db2.gz ZPVYXXQQUQTOTR-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000562961477 491203770 /nfs/dbraw/zinc/20/37/70/491203770.db2.gz VVXDNWSQNBMUJW-CQSZACIVSA-N 1 3 352.504 0.836 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000569925070 491203869 /nfs/dbraw/zinc/20/38/69/491203869.db2.gz YXFHTKRBCVVVRV-OAQYLSRUSA-N 1 3 372.513 0.977 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261610338 488526966 /nfs/dbraw/zinc/52/69/66/488526966.db2.gz BDFKXQMTDBREQR-MOPGFXCFSA-N 1 3 360.502 0.947 20 0 FCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000111510459 488529792 /nfs/dbraw/zinc/52/97/92/488529792.db2.gz HDFCSAOCESPPNL-QGZVFWFLSA-N 1 3 365.522 0.810 20 0 FCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000111510459 488529794 /nfs/dbraw/zinc/52/97/94/488529794.db2.gz HDFCSAOCESPPNL-QGZVFWFLSA-N 1 3 365.522 0.810 20 0 FCADHO C[C@@]1(C[NH3+])CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747559 488534193 /nfs/dbraw/zinc/53/41/93/488534193.db2.gz KZWYSSGNSZGLEK-KRWDZBQOSA-N 1 3 368.503 0.054 20 0 FCADHO C[C@@]1(CN)CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747559 488534196 /nfs/dbraw/zinc/53/41/96/488534196.db2.gz KZWYSSGNSZGLEK-KRWDZBQOSA-N 1 3 368.503 0.054 20 0 FCADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261747559 488534197 /nfs/dbraw/zinc/53/41/97/488534197.db2.gz KZWYSSGNSZGLEK-KRWDZBQOSA-N 1 3 368.503 0.054 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000116752619 488548954 /nfs/dbraw/zinc/54/89/54/488548954.db2.gz DPWXENZEHWLDLU-UHFFFAOYSA-N 1 3 372.473 0.537 20 0 FCADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262123258 488551759 /nfs/dbraw/zinc/55/17/59/488551759.db2.gz MKURNTXYMRSXNZ-KRWDZBQOSA-N 1 3 363.506 0.931 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1=O ZINC000262508927 488574134 /nfs/dbraw/zinc/57/41/34/488574134.db2.gz MIHMTKQMTQCBLF-GVDBMIGSSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262745570 488589696 /nfs/dbraw/zinc/58/96/96/488589696.db2.gz JUZNNYCMDNQYDH-MRXNPFEDSA-N 1 3 374.489 0.188 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316484 488616189 /nfs/dbraw/zinc/61/61/89/488616189.db2.gz VCQKKAVBDYZQEO-HZPDHXFCSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316484 488616191 /nfs/dbraw/zinc/61/61/91/488616191.db2.gz VCQKKAVBDYZQEO-HZPDHXFCSA-N 1 3 363.506 0.561 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129830025 488633852 /nfs/dbraw/zinc/63/38/52/488633852.db2.gz SMZOBQHBHLWJAV-JKSUJKDBSA-N 1 3 353.511 0.522 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000130562039 488638489 /nfs/dbraw/zinc/63/84/89/488638489.db2.gz XWECPMWNGOCVMG-UHFFFAOYSA-N 1 3 352.483 0.528 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000132984349 488656584 /nfs/dbraw/zinc/65/65/84/488656584.db2.gz QBOMPPFLBZATHK-IBGZPJMESA-N 1 3 362.518 0.839 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCN2CCCCCC2)n1 ZINC000134172211 488664938 /nfs/dbraw/zinc/66/49/38/488664938.db2.gz QIJMGFGPAPPKHS-UHFFFAOYSA-N 1 3 350.467 0.375 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000136827650 488678976 /nfs/dbraw/zinc/67/89/76/488678976.db2.gz ZLLNHCKKAVDSSH-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000136827650 488678979 /nfs/dbraw/zinc/67/89/79/488678979.db2.gz ZLLNHCKKAVDSSH-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CSCC[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000138079824 488681869 /nfs/dbraw/zinc/68/18/69/488681869.db2.gz TYIYZYPDBQWECM-OAHLLOKOSA-N 1 3 358.552 0.958 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000151314507 488704487 /nfs/dbraw/zinc/70/44/87/488704487.db2.gz CTFOCEPEXBTLBI-UHFFFAOYSA-N 1 3 369.554 0.502 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151938363 488711880 /nfs/dbraw/zinc/71/18/80/488711880.db2.gz XDWXHFFPFIQMIO-HUUCEWRRSA-N 1 3 364.494 0.620 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154025949 488737359 /nfs/dbraw/zinc/73/73/59/488737359.db2.gz JYGVWMMSYWOXLU-OAHLLOKOSA-N 1 3 364.494 0.574 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154025949 488737361 /nfs/dbraw/zinc/73/73/61/488737361.db2.gz JYGVWMMSYWOXLU-OAHLLOKOSA-N 1 3 364.494 0.574 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154063298 488738123 /nfs/dbraw/zinc/73/81/23/488738123.db2.gz SHZHRLIYLZQQEM-CQSZACIVSA-N 1 3 350.467 0.183 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154063298 488738125 /nfs/dbraw/zinc/73/81/25/488738125.db2.gz SHZHRLIYLZQQEM-CQSZACIVSA-N 1 3 350.467 0.183 20 0 FCADHO C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(C)(C)C[NH+](C)C ZINC000155019436 488749942 /nfs/dbraw/zinc/74/99/42/488749942.db2.gz SKCLYUKQHPAPRD-CYBMUJFWSA-N 1 3 352.483 0.476 20 0 FCADHO CN(C)CCOc1cc(C(=O)N2CCC([N@H+](C)CCO)CC2)ccn1 ZINC000155307035 488753848 /nfs/dbraw/zinc/75/38/48/488753848.db2.gz QJWJGNGFJSWJAZ-UHFFFAOYSA-N 1 3 350.463 0.551 20 0 FCADHO CN(C)CCOc1cc(C(=O)N2CCC([N@@H+](C)CCO)CC2)ccn1 ZINC000155307035 488753851 /nfs/dbraw/zinc/75/38/51/488753851.db2.gz QJWJGNGFJSWJAZ-UHFFFAOYSA-N 1 3 350.463 0.551 20 0 FCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137227 488762718 /nfs/dbraw/zinc/76/27/18/488762718.db2.gz WKYHCTRHVDKVPZ-IXDOHACOSA-N 1 3 360.506 0.834 20 0 FCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156137227 488762721 /nfs/dbraw/zinc/76/27/21/488762721.db2.gz WKYHCTRHVDKVPZ-IXDOHACOSA-N 1 3 360.506 0.834 20 0 FCADHO CN1CCO[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C[C@@H]21 ZINC000158870048 488781087 /nfs/dbraw/zinc/78/10/87/488781087.db2.gz JTOAREQMZKEOFC-ZWKOTPCHSA-N 1 3 365.522 0.269 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000170886120 488817316 /nfs/dbraw/zinc/81/73/16/488817316.db2.gz HCBPAFDLDFURGZ-UHFFFAOYSA-N 1 3 365.522 0.812 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1CCOCC1 ZINC000173905942 488846139 /nfs/dbraw/zinc/84/61/39/488846139.db2.gz BWJNGOZRRPYPDC-KRWDZBQOSA-N 1 3 355.527 0.376 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1CCOCC1 ZINC000173905942 488846140 /nfs/dbraw/zinc/84/61/40/488846140.db2.gz BWJNGOZRRPYPDC-KRWDZBQOSA-N 1 3 355.527 0.376 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000174825789 488851697 /nfs/dbraw/zinc/85/16/97/488851697.db2.gz JYZZDAURRFNUOX-KRWDZBQOSA-N 1 3 369.554 0.264 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000178157750 488860107 /nfs/dbraw/zinc/86/01/07/488860107.db2.gz BWRVENNDRTYVRF-QGZVFWFLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](NC(C)=O)C3)CC2)CC1 ZINC000570225865 491225697 /nfs/dbraw/zinc/22/56/97/491225697.db2.gz SBBLAQVHDBMRJB-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CC(CCN1CCN2CCOC[C@H]2C1)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000563220906 491228349 /nfs/dbraw/zinc/22/83/49/491228349.db2.gz IBWXOMAZYWKCED-WOJBJXKFSA-N 1 3 366.550 0.436 20 0 FCADHO CC(CCN1CCN2CCOC[C@H]2C1)CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000563220906 491228350 /nfs/dbraw/zinc/22/83/50/491228350.db2.gz IBWXOMAZYWKCED-WOJBJXKFSA-N 1 3 366.550 0.436 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280802124 489032919 /nfs/dbraw/zinc/03/29/19/489032919.db2.gz KVDSXAYLYLOCDV-YLJYHZDGSA-N 1 3 358.486 0.984 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000330190728 489078453 /nfs/dbraw/zinc/07/84/53/489078453.db2.gz MOPVNKNBQVTDMZ-HNNXBMFYSA-N 1 3 350.467 0.944 20 0 FCADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000570380003 491237251 /nfs/dbraw/zinc/23/72/51/491237251.db2.gz CYGRAKNDBRRGOZ-UHFFFAOYSA-N 1 3 373.457 0.528 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000331385840 489204745 /nfs/dbraw/zinc/20/47/45/489204745.db2.gz HWZXLFKKHBQWJE-ARFHVFGLSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000331445787 489212521 /nfs/dbraw/zinc/21/25/21/489212521.db2.gz CFYFAJOBPLMXAE-GBJTYRQASA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000331445787 489212522 /nfs/dbraw/zinc/21/25/22/489212522.db2.gz CFYFAJOBPLMXAE-GBJTYRQASA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000331445794 489212762 /nfs/dbraw/zinc/21/27/62/489212762.db2.gz CFYFAJOBPLMXAE-YJNKXOJESA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331445794 489212763 /nfs/dbraw/zinc/21/27/63/489212763.db2.gz CFYFAJOBPLMXAE-YJNKXOJESA-N 1 3 352.479 0.158 20 0 FCADHO CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000332776109 489228750 /nfs/dbraw/zinc/22/87/50/489228750.db2.gz FGOWAPIYRGEEAL-CVEARBPZSA-N 1 3 372.535 0.179 20 0 FCADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524084 489248620 /nfs/dbraw/zinc/24/86/20/489248620.db2.gz ZMQKFPDWKZERAH-IAGOWNOFSA-N 1 3 367.538 0.422 20 0 FCADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524084 489248623 /nfs/dbraw/zinc/24/86/23/489248623.db2.gz ZMQKFPDWKZERAH-IAGOWNOFSA-N 1 3 367.538 0.422 20 0 FCADHO C[C@H](CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)CN1CCOCC1 ZINC000369524084 489248624 /nfs/dbraw/zinc/24/86/24/489248624.db2.gz ZMQKFPDWKZERAH-IAGOWNOFSA-N 1 3 367.538 0.422 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738423 489269318 /nfs/dbraw/zinc/26/93/18/489269318.db2.gz XVWYCBDPMJJMLO-BPQIPLTHSA-N 1 3 366.506 0.744 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738423 489269322 /nfs/dbraw/zinc/26/93/22/489269322.db2.gz XVWYCBDPMJJMLO-BPQIPLTHSA-N 1 3 366.506 0.744 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298204321 489303452 /nfs/dbraw/zinc/30/34/52/489303452.db2.gz XTKZGQYZPUGJQX-GOSISDBHSA-N 1 3 360.502 0.987 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298204321 489303455 /nfs/dbraw/zinc/30/34/55/489303455.db2.gz XTKZGQYZPUGJQX-GOSISDBHSA-N 1 3 360.502 0.987 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370727242 489393085 /nfs/dbraw/zinc/39/30/85/489393085.db2.gz UYGAOOYKLZPFQE-YESZJQIVSA-N 1 3 363.506 0.561 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370727242 489393086 /nfs/dbraw/zinc/39/30/86/489393086.db2.gz UYGAOOYKLZPFQE-YESZJQIVSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000370735795 489394709 /nfs/dbraw/zinc/39/47/09/489394709.db2.gz ZQSDLFIIGYBBPL-PVAVHDDUSA-N 1 3 363.506 0.417 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000370735795 489394712 /nfs/dbraw/zinc/39/47/12/489394712.db2.gz ZQSDLFIIGYBBPL-PVAVHDDUSA-N 1 3 363.506 0.417 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000370763472 489398431 /nfs/dbraw/zinc/39/84/31/489398431.db2.gz LNNQZTPTBWRUHM-UHFFFAOYSA-N 1 3 358.486 0.495 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000370763472 489398433 /nfs/dbraw/zinc/39/84/33/489398433.db2.gz LNNQZTPTBWRUHM-UHFFFAOYSA-N 1 3 358.486 0.495 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000563549575 491254353 /nfs/dbraw/zinc/25/43/53/491254353.db2.gz ZYZAUDPNIAEMDY-BZUAXINKSA-N 1 3 351.495 0.450 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363466099 489469740 /nfs/dbraw/zinc/46/97/40/489469740.db2.gz BQDUCOHYHWRDHL-GOSISDBHSA-N 1 3 352.523 0.724 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423158506 489498200 /nfs/dbraw/zinc/49/82/00/489498200.db2.gz CXPUYIYVLFVMFS-MSOLQXFVSA-N 1 3 373.501 0.844 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423160776 489498249 /nfs/dbraw/zinc/49/82/49/489498249.db2.gz HVGQMIDMYBMYST-ZWKOTPCHSA-N 1 3 373.501 0.702 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000423168700 489499012 /nfs/dbraw/zinc/49/90/12/489499012.db2.gz HXZAJPRDTZGMMD-IBGZPJMESA-N 1 3 362.474 0.690 20 0 FCADHO COC(=O)c1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)[nH]1 ZINC000414485562 489501016 /nfs/dbraw/zinc/50/10/16/489501016.db2.gz PNXFKQPZYDPQRC-UHFFFAOYSA-N 1 3 350.463 0.688 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C[C@H]1[NH3+] ZINC000423202951 489501966 /nfs/dbraw/zinc/50/19/66/489501966.db2.gz LPIWVYQEBGUAFZ-CZUORRHYSA-N 1 3 350.438 0.522 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423199432 489502278 /nfs/dbraw/zinc/50/22/78/489502278.db2.gz BLZOIXOURIJSJZ-ZDUSSCGKSA-N 1 3 354.401 0.415 20 0 FCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423210832 489502892 /nfs/dbraw/zinc/50/28/92/489502892.db2.gz XRSJANFPQFCIHF-HNNXBMFYSA-N 1 3 352.866 0.790 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423207524 489502949 /nfs/dbraw/zinc/50/29/49/489502949.db2.gz RTNUGPDRTOPIFG-UXLLHSPISA-N 1 3 366.506 0.284 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000423211340 489503468 /nfs/dbraw/zinc/50/34/68/489503468.db2.gz KYBBBKCOJDEJLZ-QGZVFWFLSA-N 1 3 368.522 0.404 20 0 FCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423236174 489506504 /nfs/dbraw/zinc/50/65/04/489506504.db2.gz RRCWZXOCLZSEAF-LJQANCHMSA-N 1 3 372.513 0.961 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000423258894 489508738 /nfs/dbraw/zinc/50/87/38/489508738.db2.gz MZWKIZLBQQIZKI-QGZVFWFLSA-N 1 3 362.474 0.071 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000423272826 489509632 /nfs/dbraw/zinc/50/96/32/489509632.db2.gz ZMDPZHJMAQDFCT-QGZVFWFLSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415419009 489518895 /nfs/dbraw/zinc/51/88/95/489518895.db2.gz PPOUMAGPSCBRLS-HNNXBMFYSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c(C)c2)CC1 ZINC000415543414 489527992 /nfs/dbraw/zinc/52/79/92/489527992.db2.gz XGINQYNPJAEDJV-KRWDZBQOSA-N 1 3 373.501 0.929 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000415610092 489537143 /nfs/dbraw/zinc/53/71/43/489537143.db2.gz WTZKLELETWBKDL-IBGZPJMESA-N 1 3 360.458 0.778 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1CN(C)C ZINC000415703368 489542883 /nfs/dbraw/zinc/54/28/83/489542883.db2.gz DWLQHQSEOHQBKL-GOSISDBHSA-N 1 3 373.501 0.501 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415709477 489543958 /nfs/dbraw/zinc/54/39/58/489543958.db2.gz PKKGWVXJSDBRFZ-QGZVFWFLSA-N 1 3 373.501 0.501 20 0 FCADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415765765 489551008 /nfs/dbraw/zinc/55/10/08/489551008.db2.gz VQZWWTBZBWRSKA-PIIMJCKOSA-N 1 3 372.469 0.824 20 0 FCADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000415791308 489553378 /nfs/dbraw/zinc/55/33/78/489553378.db2.gz RRKLEAYKKIOKSA-INIZCTEOSA-N 1 3 361.490 0.616 20 0 FCADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000415870552 489562280 /nfs/dbraw/zinc/56/22/80/489562280.db2.gz TVRBGFPMFSMRMG-QAPCUYQASA-N 1 3 374.485 0.962 20 0 FCADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000415870552 489562282 /nfs/dbraw/zinc/56/22/82/489562282.db2.gz TVRBGFPMFSMRMG-QAPCUYQASA-N 1 3 374.485 0.962 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000415870895 489562381 /nfs/dbraw/zinc/56/23/81/489562381.db2.gz PQEBMJQKJMIJRX-GJZGRUSLSA-N 1 3 360.458 0.633 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660927 491263553 /nfs/dbraw/zinc/26/35/53/491263553.db2.gz NDXZCHZYOIHOJN-HOCLYGCPSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCOCCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570788564 491264192 /nfs/dbraw/zinc/26/41/92/491264192.db2.gz FXOFZMQYACZHON-JKSUJKDBSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCOCCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788564 491264194 /nfs/dbraw/zinc/26/41/94/491264194.db2.gz FXOFZMQYACZHON-JKSUJKDBSA-N 1 3 368.522 0.450 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000416831353 489631140 /nfs/dbraw/zinc/63/11/40/489631140.db2.gz BBRGEVSVELNMRQ-ZWKOTPCHSA-N 1 3 373.501 0.757 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417091714 489640746 /nfs/dbraw/zinc/64/07/46/489640746.db2.gz KMENVEJIOLQTIO-DLBZAZTESA-N 1 3 356.511 0.883 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417362058 489649405 /nfs/dbraw/zinc/64/94/05/489649405.db2.gz DIXCMVRKEARCFD-SJORKVTESA-N 1 3 360.506 0.972 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417426412 489651973 /nfs/dbraw/zinc/65/19/73/489651973.db2.gz GNXOTXRDSJOKKM-CVEARBPZSA-N 1 3 353.511 0.700 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000417430839 489652743 /nfs/dbraw/zinc/65/27/43/489652743.db2.gz QDNMNCCYFPATPD-BZUAXINKSA-N 1 3 353.511 0.698 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000417456484 489654919 /nfs/dbraw/zinc/65/49/19/489654919.db2.gz BSLLXZSVFYOTKM-QGZVFWFLSA-N 1 3 361.490 0.871 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000417478288 489655671 /nfs/dbraw/zinc/65/56/71/489655671.db2.gz SAAWLEJVCCVRQK-OAHLLOKOSA-N 1 3 361.490 0.777 20 0 FCADHO C[C@H]1NCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H]1C ZINC000417472009 489655880 /nfs/dbraw/zinc/65/58/80/489655880.db2.gz HZJGTSBDOGDOIT-CABCVRRESA-N 1 3 361.490 0.870 20 0 FCADHO COCCN(C)CC[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417495533 489656521 /nfs/dbraw/zinc/65/65/21/489656521.db2.gz TWMNQHKCUACILA-SQNIBIBYSA-N 1 3 364.490 0.670 20 0 FCADHO CCN(CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481884 489656536 /nfs/dbraw/zinc/65/65/36/489656536.db2.gz IEAHMXUNRMZTCE-RDJZCZTQSA-N 1 3 365.522 0.761 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417582421 489659057 /nfs/dbraw/zinc/65/90/57/489659057.db2.gz IAUWCVFCIGADGA-CVEARBPZSA-N 1 3 353.511 0.890 20 0 FCADHO CN(CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620616 489660107 /nfs/dbraw/zinc/66/01/07/489660107.db2.gz DHSDBSQZVZSYFN-GDBMZVCRSA-N 1 3 351.495 0.370 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417750247 489664099 /nfs/dbraw/zinc/66/40/99/489664099.db2.gz KKZPVIIRNDNPOJ-FUHWJXTLSA-N 1 3 355.527 0.328 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000417761487 489664926 /nfs/dbraw/zinc/66/49/26/489664926.db2.gz ZFAUYZSTGIIGFF-UPJWGTAASA-N 1 3 351.417 0.604 20 0 FCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000458331831 489677117 /nfs/dbraw/zinc/67/71/17/489677117.db2.gz HMSFPLSDMWJIKZ-QGZVFWFLSA-N 1 3 368.522 0.777 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000458450484 489684221 /nfs/dbraw/zinc/68/42/21/489684221.db2.gz FXGOUIBYRRQKFV-KURKYZTESA-N 1 3 369.554 0.357 20 0 FCADHO CC(C)C[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)C(=O)NCCN(C)C ZINC000418352139 489693237 /nfs/dbraw/zinc/69/32/37/489693237.db2.gz SKNBPERJDPBHMY-HOTGVXAUSA-N 1 3 355.527 0.768 20 0 FCADHO CSC1(CNC(=O)NC[C@@H]2CCCN2CCCO)CC[NH+](C)CC1 ZINC000458796306 489703070 /nfs/dbraw/zinc/70/30/70/489703070.db2.gz WTPQMCJRXMNPOW-HNNXBMFYSA-N 1 3 358.552 0.960 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCC1 ZINC000418519513 489704308 /nfs/dbraw/zinc/70/43/08/489704308.db2.gz NRHVHURTXJIJDB-INIZCTEOSA-N 1 3 361.490 0.456 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418623584 489711657 /nfs/dbraw/zinc/71/16/57/489711657.db2.gz OFWPLQSYRSDOMX-INIZCTEOSA-N 1 3 353.511 0.700 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459257655 489723979 /nfs/dbraw/zinc/72/39/79/489723979.db2.gz JOTILYOLEXQNRW-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459257655 489723984 /nfs/dbraw/zinc/72/39/84/489723984.db2.gz JOTILYOLEXQNRW-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418775393 489725826 /nfs/dbraw/zinc/72/58/26/489725826.db2.gz DUGAZWXMDUZLMH-INIZCTEOSA-N 1 3 361.490 0.168 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCCN1CCCCCC1 ZINC000418793679 489728377 /nfs/dbraw/zinc/72/83/77/489728377.db2.gz OWNNJXRMJMMXFZ-YESZJQIVSA-N 1 3 365.522 0.666 20 0 FCADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418804882 489731338 /nfs/dbraw/zinc/73/13/38/489731338.db2.gz ZPBMXNADCCDOBY-DLBZAZTESA-N 1 3 350.463 0.976 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000418826270 489741750 /nfs/dbraw/zinc/74/17/50/489741750.db2.gz BCPNWJLDKHBVSH-GOSISDBHSA-N 1 3 372.513 0.878 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)([NH+](C)C)C1 ZINC000563900071 491276387 /nfs/dbraw/zinc/27/63/87/491276387.db2.gz ORJHSLRCBUHQQW-LLDVTBCESA-N 1 3 351.495 0.450 20 0 FCADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608515 489752732 /nfs/dbraw/zinc/75/27/32/489752732.db2.gz FSKFMFRFNSVPIR-AEFFLSMTSA-N 1 3 360.502 0.829 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000418852885 489757887 /nfs/dbraw/zinc/75/78/87/489757887.db2.gz RPAVESAJZHCBJW-CRAIPNDOSA-N 1 3 360.502 0.861 20 0 FCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418879242 489772648 /nfs/dbraw/zinc/77/26/48/489772648.db2.gz NBPPYUVYEWNUJN-QZTJIDSGSA-N 1 3 374.485 0.209 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418883352 489774896 /nfs/dbraw/zinc/77/48/96/489774896.db2.gz UZSHUKHEUVYPOY-ZWKOTPCHSA-N 1 3 374.485 0.080 20 0 FCADHO C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430932012 489778610 /nfs/dbraw/zinc/77/86/10/489778610.db2.gz DCPQUYLLAPBQBG-BBRMVZONSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894344 489778838 /nfs/dbraw/zinc/77/88/38/489778838.db2.gz BAORBWOZXQDCPU-HUUCEWRRSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894342 489778978 /nfs/dbraw/zinc/77/89/78/489778978.db2.gz BAORBWOZXQDCPU-CABCVRRESA-N 1 3 368.522 0.986 20 0 FCADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000430934663 489779982 /nfs/dbraw/zinc/77/99/82/489779982.db2.gz QFMRHEKIDGMUMG-HNNXBMFYSA-N 1 3 367.538 0.105 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](CN)C1 ZINC000418906893 489785189 /nfs/dbraw/zinc/78/51/89/489785189.db2.gz WUYCSXLSPOCGSU-HOTGVXAUSA-N 1 3 368.522 0.722 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000431014672 489785916 /nfs/dbraw/zinc/78/59/16/489785916.db2.gz KNQORLYNBZLQMT-UHFFFAOYSA-N 1 3 364.494 0.822 20 0 FCADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431039722 489786341 /nfs/dbraw/zinc/78/63/41/489786341.db2.gz SXYKNNBGPOJNCN-UHFFFAOYSA-N 1 3 358.486 0.966 20 0 FCADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 ZINC000563955696 491279330 /nfs/dbraw/zinc/27/93/30/491279330.db2.gz SUXOJADPIGHMAR-ZDUSSCGKSA-N 1 3 358.446 0.833 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418942764 489798312 /nfs/dbraw/zinc/79/83/12/489798312.db2.gz XUUBMPNXYUVSEE-INIZCTEOSA-N 1 3 354.495 0.237 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298276 489799832 /nfs/dbraw/zinc/79/98/32/489799832.db2.gz TVYYDTYQQSAQBA-WBVHZDCISA-N 1 3 365.522 0.761 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418955402 489803494 /nfs/dbraw/zinc/80/34/94/489803494.db2.gz XXSKUCPKNAIPFZ-BHYGNILZSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCN1C ZINC000431459613 489805712 /nfs/dbraw/zinc/80/57/12/489805712.db2.gz OOQGTEJTKQBDNM-CVEARBPZSA-N 1 3 353.511 0.761 20 0 FCADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)o1 ZINC000460024043 489821789 /nfs/dbraw/zinc/82/17/89/489821789.db2.gz VBPGRRCWJLBQKM-DOTOQJQBSA-N 1 3 362.474 0.641 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419031997 489825939 /nfs/dbraw/zinc/82/59/39/489825939.db2.gz VXBHULWHPPHBRB-RCJHGTSTSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033139 489826429 /nfs/dbraw/zinc/82/64/29/489826429.db2.gz XVBHSRQTLUWIKS-HOTGVXAUSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419032477 489826444 /nfs/dbraw/zinc/82/64/44/489826444.db2.gz WSLLEYCRXWPPQK-TWMKSMIVSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419032006 489826525 /nfs/dbraw/zinc/82/65/25/489826525.db2.gz VXBHULWHPPHBRB-YYAJDYIMSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419034030 489827591 /nfs/dbraw/zinc/82/75/91/489827591.db2.gz YYIVQSXTFXNRSP-HUUCEWRRSA-N 1 3 354.495 0.108 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069860 489844534 /nfs/dbraw/zinc/84/45/34/489844534.db2.gz GQSKGAORGYWPJC-XJKSGUPXSA-N 1 3 350.463 0.658 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419079965 489847963 /nfs/dbraw/zinc/84/79/63/489847963.db2.gz NYGBTTPTALMKHL-YVSFHVDLSA-N 1 3 350.507 0.953 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419080889 489849439 /nfs/dbraw/zinc/84/94/39/489849439.db2.gz QMWKTKZWIARYBR-YLFCFFPRSA-N 1 3 350.507 0.871 20 0 FCADHO CN(C)C(=O)NCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000460259291 489858799 /nfs/dbraw/zinc/85/87/99/489858799.db2.gz MWSDMWLELNNRSK-UHFFFAOYSA-N 1 3 368.526 0.458 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419118030 489863744 /nfs/dbraw/zinc/86/37/44/489863744.db2.gz NIMLADNECRCCSR-UKRRQHHQSA-N 1 3 354.495 0.452 20 0 FCADHO [NH3+]C1CCN(CCCC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000433116333 489866514 /nfs/dbraw/zinc/86/65/14/489866514.db2.gz KQQNPMLGDQMFEF-SFHVURJKSA-N 1 3 370.563 0.514 20 0 FCADHO C[C@H](CNC(=O)C1(CC(=O)NC[C@@H](C)[NH+](C)C)CCOCC1)N(C)C ZINC000494244504 489877029 /nfs/dbraw/zinc/87/70/29/489877029.db2.gz JGISTKQHYIMMSE-HUUCEWRRSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@H](CNC(=O)CC1(C(=O)NC[C@@H](C)[NH+](C)C)CCOCC1)N(C)C ZINC000494244504 489877030 /nfs/dbraw/zinc/87/70/30/489877030.db2.gz JGISTKQHYIMMSE-HUUCEWRRSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420031976 489887159 /nfs/dbraw/zinc/88/71/59/489887159.db2.gz HOHWXTJHDKRHIW-SOUVJXGZSA-N 1 3 352.479 0.160 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040944 489890712 /nfs/dbraw/zinc/89/07/12/489890712.db2.gz PLYYMMLGWMWBDL-HIFRSBDPSA-N 1 3 352.479 0.302 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069220 489902608 /nfs/dbraw/zinc/90/26/08/489902608.db2.gz VNMMYJPCABRDPI-ROUUACIJSA-N 1 3 373.501 0.748 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091658 489909382 /nfs/dbraw/zinc/90/93/82/489909382.db2.gz NKTSCMSGTGCTQP-UHFFFAOYSA-N 1 3 350.438 0.714 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420092239 489909424 /nfs/dbraw/zinc/90/94/24/489909424.db2.gz VRVXASSICUZTAB-CVEARBPZSA-N 1 3 354.495 0.189 20 0 FCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420109205 489915758 /nfs/dbraw/zinc/91/57/58/489915758.db2.gz ANDKGSWXDFCCKR-KFWWJZLASA-N 1 3 354.495 0.058 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134704 489925090 /nfs/dbraw/zinc/92/50/90/489925090.db2.gz UXXJJHCBTYJMDN-UONOGXRCSA-N 1 3 352.504 0.895 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000420176086 489941694 /nfs/dbraw/zinc/94/16/94/489941694.db2.gz ZCEDGFVRYZZIIQ-QGZVFWFLSA-N 1 3 368.522 0.309 20 0 FCADHO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCCC1 ZINC000420192859 489947193 /nfs/dbraw/zinc/94/71/93/489947193.db2.gz INYGPOCKJLTKHF-CVEARBPZSA-N 1 3 354.495 0.108 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477202001 489949807 /nfs/dbraw/zinc/94/98/07/489949807.db2.gz GWKJULNEFHJWIM-VQIMIIECSA-N 1 3 370.538 0.650 20 0 FCADHO CC(CN(C)[C@H](C)CN1CCOCC1)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713777 489951067 /nfs/dbraw/zinc/95/10/67/489951067.db2.gz KHBXVDOUWYMFOY-WOJBJXKFSA-N 1 3 370.582 0.928 20 0 FCADHO CC(CN(C)[C@H](C)CN1CCOCC1)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713777 489951069 /nfs/dbraw/zinc/95/10/69/489951069.db2.gz KHBXVDOUWYMFOY-WOJBJXKFSA-N 1 3 370.582 0.928 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420206294 489952538 /nfs/dbraw/zinc/95/25/38/489952538.db2.gz PYPCUDZKCMVGHO-UONOGXRCSA-N 1 3 352.504 0.882 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420323916 489963025 /nfs/dbraw/zinc/96/30/25/489963025.db2.gz UPRAWOZVYNLAMS-FHWLQOOXSA-N 1 3 361.486 0.488 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420323916 489963029 /nfs/dbraw/zinc/96/30/29/489963029.db2.gz UPRAWOZVYNLAMS-FHWLQOOXSA-N 1 3 361.486 0.488 20 0 FCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000420323916 489963032 /nfs/dbraw/zinc/96/30/32/489963032.db2.gz UPRAWOZVYNLAMS-FHWLQOOXSA-N 1 3 361.486 0.488 20 0 FCADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327216 489963449 /nfs/dbraw/zinc/96/34/49/489963449.db2.gz LBCTZTXXCPPLML-IAGOWNOFSA-N 1 3 358.490 0.447 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(OC)CCOC1 ZINC000462325050 489969231 /nfs/dbraw/zinc/96/92/31/489969231.db2.gz FAMSTINVMFWLCM-WMZOPIPTSA-N 1 3 356.511 0.849 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(OC)CCOC1 ZINC000462325050 489969232 /nfs/dbraw/zinc/96/92/32/489969232.db2.gz FAMSTINVMFWLCM-WMZOPIPTSA-N 1 3 356.511 0.849 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374765 489969435 /nfs/dbraw/zinc/96/94/35/489969435.db2.gz SJLIKEXXHAEMSI-MSOLQXFVSA-N 1 3 354.539 0.957 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@@H](CN)C2CCCCC2)C1 ZINC000420374765 489969442 /nfs/dbraw/zinc/96/94/42/489969442.db2.gz SJLIKEXXHAEMSI-MSOLQXFVSA-N 1 3 354.539 0.957 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000556071375 491291906 /nfs/dbraw/zinc/29/19/06/491291906.db2.gz UATWCGYPBULVBD-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000420437252 489976171 /nfs/dbraw/zinc/97/61/71/489976171.db2.gz PMRZMDGVUIMLIY-UHFFFAOYSA-N 1 3 357.524 0.730 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000477616743 489977673 /nfs/dbraw/zinc/97/76/73/489977673.db2.gz OTTNVUBIVSUKCH-KRWDZBQOSA-N 1 3 366.506 0.300 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000477615634 489977808 /nfs/dbraw/zinc/97/78/08/489977808.db2.gz MGSYMNGTUXZSSM-WBVHZDCISA-N 1 3 368.522 0.545 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000477615634 489977811 /nfs/dbraw/zinc/97/78/11/489977811.db2.gz MGSYMNGTUXZSSM-WBVHZDCISA-N 1 3 368.522 0.545 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420459018 489980371 /nfs/dbraw/zinc/98/03/71/489980371.db2.gz CXFMPDOTGVUJNZ-CABCVRRESA-N 1 3 357.524 0.857 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639122 489980534 /nfs/dbraw/zinc/98/05/34/489980534.db2.gz DRRGFQZJGKTRSW-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000477639122 489980537 /nfs/dbraw/zinc/98/05/37/489980537.db2.gz DRRGFQZJGKTRSW-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO CNc1nc(N(C)C[C@@H]2CCCN2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420643928 490003697 /nfs/dbraw/zinc/00/36/97/490003697.db2.gz XYXOQQBGOBYZJE-GJZGRUSLSA-N 1 3 362.526 0.396 20 0 FCADHO CNc1nc(N(C)C[C@@H]2CCCN2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420643928 490003702 /nfs/dbraw/zinc/00/37/02/490003702.db2.gz XYXOQQBGOBYZJE-GJZGRUSLSA-N 1 3 362.526 0.396 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085948 491293772 /nfs/dbraw/zinc/29/37/72/491293772.db2.gz YSWAXLJQDRGXJJ-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085948 491293775 /nfs/dbraw/zinc/29/37/75/491293775.db2.gz YSWAXLJQDRGXJJ-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000571289397 491298219 /nfs/dbraw/zinc/29/82/19/491298219.db2.gz ABOVFFAXAPSWJZ-AZUAARDMSA-N 1 3 361.534 0.886 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000438713345 490036567 /nfs/dbraw/zinc/03/65/67/490036567.db2.gz RZDSVXRHNXRCFX-OAHLLOKOSA-N 1 3 352.483 0.659 20 0 FCADHO C[C@@H](CC(N)=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519095 490098610 /nfs/dbraw/zinc/09/86/10/490098610.db2.gz SMFQYRURQGRJGR-KBPBESRZSA-N 1 3 370.519 0.831 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496320624 490112656 /nfs/dbraw/zinc/11/26/56/490112656.db2.gz DKUSQRLVTPOCPQ-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCN1CCOCC1 ZINC000465445875 490121599 /nfs/dbraw/zinc/12/15/99/490121599.db2.gz ZZVCFHJANVEUKP-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCN1CCOCC1 ZINC000465445875 490121602 /nfs/dbraw/zinc/12/16/02/490121602.db2.gz ZZVCFHJANVEUKP-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO COCCOC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465819455 490144167 /nfs/dbraw/zinc/14/41/67/490144167.db2.gz QUJHKCMTGABGFV-OAHLLOKOSA-N 1 3 356.511 0.896 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000556206678 491302786 /nfs/dbraw/zinc/30/27/86/491302786.db2.gz MPTMBWRBXMSMNZ-SFHVURJKSA-N 1 3 370.563 0.874 20 0 FCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CCSCC2)CC1 ZINC000465923830 490152523 /nfs/dbraw/zinc/15/25/23/490152523.db2.gz RGZYXANUOUKZFC-INIZCTEOSA-N 1 3 357.568 0.608 20 0 FCADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)cc(Cl)c1OCC(N)=O ZINC000397503376 490166706 /nfs/dbraw/zinc/16/67/06/490166706.db2.gz GUYQZPAUZQMMJW-UHFFFAOYSA-N 1 3 371.865 0.759 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000571418783 491306318 /nfs/dbraw/zinc/30/63/18/491306318.db2.gz NNJZABZOMPKREG-OALUTQOASA-N 1 3 359.518 0.848 20 0 FCADHO COCC1(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)CC[NH2+]CC1 ZINC000571439591 491307844 /nfs/dbraw/zinc/30/78/44/491307844.db2.gz RKFYVSGGFKUVJY-OAHLLOKOSA-N 1 3 354.495 0.109 20 0 FCADHO CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000521272699 490243514 /nfs/dbraw/zinc/24/35/14/490243514.db2.gz FGGVEGOPALKRSV-SQNIBIBYSA-N 1 3 373.501 0.805 20 0 FCADHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc(OC)c1OCC(N)=O ZINC000521337857 490249324 /nfs/dbraw/zinc/24/93/24/490249324.db2.gz MHXUNTVAVIKDFV-ZDUSSCGKSA-N 1 3 351.447 0.999 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626685 491319499 /nfs/dbraw/zinc/31/94/99/491319499.db2.gz PTIVKCAAKRNEHB-XWTMOSNGSA-N 1 3 356.470 0.683 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626685 491319500 /nfs/dbraw/zinc/31/95/00/491319500.db2.gz PTIVKCAAKRNEHB-XWTMOSNGSA-N 1 3 356.470 0.683 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000422497012 490361613 /nfs/dbraw/zinc/36/16/13/490361613.db2.gz UYLXPNDSBULAGX-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000422497012 490361621 /nfs/dbraw/zinc/36/16/21/490361621.db2.gz UYLXPNDSBULAGX-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO Cc1ccccc1C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556620382 491323207 /nfs/dbraw/zinc/32/32/07/491323207.db2.gz YZBGXERTCHOZSN-KRWDZBQOSA-N 1 3 362.518 0.994 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000522443035 490379031 /nfs/dbraw/zinc/37/90/31/490379031.db2.gz OGOVVYFMTVYUGA-GOSISDBHSA-N 1 3 369.554 0.360 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000522443035 490379039 /nfs/dbraw/zinc/37/90/39/490379039.db2.gz OGOVVYFMTVYUGA-GOSISDBHSA-N 1 3 369.554 0.360 20 0 FCADHO CCN1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000522726461 490398411 /nfs/dbraw/zinc/39/84/11/490398411.db2.gz HCTQYNOTIBEILH-UHFFFAOYSA-N 1 3 360.506 0.941 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484276760 490406934 /nfs/dbraw/zinc/40/69/34/490406934.db2.gz ANRCETLZYAOWBB-SJORKVTESA-N 1 3 367.538 0.071 20 0 FCADHO CN(CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)C1CC1 ZINC000411237679 490412323 /nfs/dbraw/zinc/41/23/23/490412323.db2.gz BGCBYFAJGHMKTL-UHFFFAOYSA-N 1 3 366.437 0.915 20 0 FCADHO OCCN1CCN(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000509478138 490432194 /nfs/dbraw/zinc/43/21/94/490432194.db2.gz UZJLIGBPLAICEM-UHFFFAOYSA-N 1 3 366.472 0.993 20 0 FCADHO C[C@@H]1C[C@H](C)N(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422638686 490438380 /nfs/dbraw/zinc/43/83/80/490438380.db2.gz QXEDYZSSDLJVTG-RDBSUJKOSA-N 1 3 362.478 0.129 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909475 490476868 /nfs/dbraw/zinc/47/68/68/490476868.db2.gz SPRCSQBPUANTDF-HIFRSBDPSA-N 1 3 368.503 0.052 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968251 490507771 /nfs/dbraw/zinc/50/77/71/490507771.db2.gz VYKRBLNMWUJUOE-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO COc1ccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000564894700 491333910 /nfs/dbraw/zinc/33/39/10/491333910.db2.gz PYXUCWDWBLFVSA-ROUUACIJSA-N 1 3 374.485 0.817 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524423812 490537884 /nfs/dbraw/zinc/53/78/84/490537884.db2.gz GXHNWWDIWBFYQW-GOSISDBHSA-N 1 3 367.538 0.256 20 0 FCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847810 490563626 /nfs/dbraw/zinc/56/36/26/490563626.db2.gz RVFDAVLFSIAIEU-ZIFCJYIRSA-N 1 3 364.534 0.724 20 0 FCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000485847810 490563631 /nfs/dbraw/zinc/56/36/31/490563631.db2.gz RVFDAVLFSIAIEU-ZIFCJYIRSA-N 1 3 364.534 0.724 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCCN1CCN(C)CC1 ZINC000524851871 490564572 /nfs/dbraw/zinc/56/45/72/490564572.db2.gz KDXCOBKYMDYDNG-SFHVURJKSA-N 1 3 354.539 0.923 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1N(C)C ZINC000501632855 490628348 /nfs/dbraw/zinc/62/83/48/490628348.db2.gz BJDKZQFWKXDWBJ-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1N(C)C ZINC000501632855 490628353 /nfs/dbraw/zinc/62/83/53/490628353.db2.gz BJDKZQFWKXDWBJ-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C3CC3)C2)(N2CCOCC2)CC1 ZINC000556849164 491341301 /nfs/dbraw/zinc/34/13/01/491341301.db2.gz JJDICZJUBMWWAM-MRXNPFEDSA-N 1 3 365.522 0.319 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021032 490638966 /nfs/dbraw/zinc/63/89/66/490638966.db2.gz ZGFFZBRHHJBCNT-CVEARBPZSA-N 1 3 367.538 0.057 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC3CC[NH2+]CC3)c2)CC1 ZINC000556969082 491345730 /nfs/dbraw/zinc/34/57/30/491345730.db2.gz JWQFZILMNJSRRC-UHFFFAOYSA-N 1 3 373.501 0.883 20 0 FCADHO CN1CCN(CCCNC(=O)C2([NH3+])CCOCC2)[C@H](c2ccccc2)C1 ZINC000512956542 490705216 /nfs/dbraw/zinc/70/52/16/490705216.db2.gz ZCPZJPNDQTYBRO-SFHVURJKSA-N 1 3 360.502 0.989 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000557028251 491350083 /nfs/dbraw/zinc/35/00/83/491350083.db2.gz YUUGRYYGTTZZMO-UHFFFAOYSA-N 1 3 370.519 0.502 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478352 490733248 /nfs/dbraw/zinc/73/32/48/490733248.db2.gz XEVMISRSMLQDIE-JKSUJKDBSA-N 1 3 370.538 0.696 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000503253740 490747686 /nfs/dbraw/zinc/74/76/86/490747686.db2.gz USIMJYULAQVZEI-HNNXBMFYSA-N 1 3 362.474 0.976 20 0 FCADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156138 491356233 /nfs/dbraw/zinc/35/62/33/491356233.db2.gz IEELOITYNQCWHS-ZFWWWQNUSA-N 1 3 368.503 0.194 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCCC1 ZINC000514951228 490799709 /nfs/dbraw/zinc/79/97/09/490799709.db2.gz LFCROGXRCBFSSE-JKSUJKDBSA-N 1 3 351.495 0.594 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCCC1 ZINC000514951228 490799711 /nfs/dbraw/zinc/79/97/11/490799711.db2.gz LFCROGXRCBFSSE-JKSUJKDBSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCCN1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC000515346946 490820679 /nfs/dbraw/zinc/82/06/79/490820679.db2.gz HCPHOTLHCYCDQX-JKSUJKDBSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CNC(=O)CSCC(=O)NC[C@H](C)[NH+]1CCCC1)N1CCCC1 ZINC000540474473 490824912 /nfs/dbraw/zinc/82/49/12/490824912.db2.gz VTKKXQNOKGELBB-HOTGVXAUSA-N 1 3 370.563 0.921 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000515523610 490830298 /nfs/dbraw/zinc/83/02/98/490830298.db2.gz IXLRNVFRLWTRRE-YESZJQIVSA-N 1 3 363.506 0.324 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000515523607 490830381 /nfs/dbraw/zinc/83/03/81/490830381.db2.gz IXLRNVFRLWTRRE-GVDBMIGSSA-N 1 3 363.506 0.324 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCCS1(=O)=O ZINC000505802471 490840093 /nfs/dbraw/zinc/84/00/93/490840093.db2.gz QBFLYQPDKCCZRV-INIZCTEOSA-N 1 3 374.551 0.287 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1CCCS1(=O)=O ZINC000505802471 490840096 /nfs/dbraw/zinc/84/00/96/490840096.db2.gz QBFLYQPDKCCZRV-INIZCTEOSA-N 1 3 374.551 0.287 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000505806192 490840189 /nfs/dbraw/zinc/84/01/89/490840189.db2.gz DGBAELHKSOPPTK-HZPDHXFCSA-N 1 3 353.511 0.652 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000505806192 490840191 /nfs/dbraw/zinc/84/01/91/490840191.db2.gz DGBAELHKSOPPTK-HZPDHXFCSA-N 1 3 353.511 0.652 20 0 FCADHO COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516091230 490850168 /nfs/dbraw/zinc/85/01/68/490850168.db2.gz GCOLOIXNOXOKTA-KBPBESRZSA-N 1 3 361.446 0.533 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)c3ccc4c(ccn4CCC[NH3+])c3)CCN2C1=O ZINC000565237007 491363437 /nfs/dbraw/zinc/36/34/37/491363437.db2.gz OTBPFAQCPDULII-HOTGVXAUSA-N 1 3 355.442 0.374 20 0 FCADHO CN1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@H](CN)C1 ZINC000557199035 491359064 /nfs/dbraw/zinc/35/90/64/491359064.db2.gz KXKZRUWNESFAJE-MRXNPFEDSA-N 1 3 364.494 0.196 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241525 490895228 /nfs/dbraw/zinc/89/52/28/490895228.db2.gz QNZSUOZJPONMNJ-MAUKXSAKSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000542813507 490910298 /nfs/dbraw/zinc/91/02/98/490910298.db2.gz LOYWGCFNZKFQNL-UHFFFAOYSA-N 1 3 367.538 0.960 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517892588 490924080 /nfs/dbraw/zinc/92/40/80/490924080.db2.gz YGSKWOFLNPNZMQ-MRXNPFEDSA-N 1 3 358.442 0.804 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000517918513 490924336 /nfs/dbraw/zinc/92/43/36/490924336.db2.gz VBJDCIXAHGSBFE-RDJZCZTQSA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000517950810 490925666 /nfs/dbraw/zinc/92/56/66/490925666.db2.gz XHKNKZYDDAXIHP-INIZCTEOSA-N 1 3 354.495 0.143 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966318 490926785 /nfs/dbraw/zinc/92/67/85/490926785.db2.gz VXZGMGHKEJAHLC-ROUUACIJSA-N 1 3 371.485 0.388 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966318 490926786 /nfs/dbraw/zinc/92/67/86/490926786.db2.gz VXZGMGHKEJAHLC-ROUUACIJSA-N 1 3 371.485 0.388 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NCC3(O)CCN(C)CC3)CC2)CC1 ZINC000518212138 490933174 /nfs/dbraw/zinc/93/31/74/490933174.db2.gz CMMCKFILUNJSHJ-UHFFFAOYSA-N 1 3 366.550 0.756 20 0 FCADHO C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062782 490938860 /nfs/dbraw/zinc/93/88/60/490938860.db2.gz GTKTXEGBFROQIG-GHTZIAJQSA-N 1 3 374.529 0.623 20 0 FCADHO C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062782 490938861 /nfs/dbraw/zinc/93/88/61/490938861.db2.gz GTKTXEGBFROQIG-GHTZIAJQSA-N 1 3 374.529 0.623 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000531118506 490941644 /nfs/dbraw/zinc/94/16/44/490941644.db2.gz LFSDSLXOMHSVJB-UHFFFAOYSA-N 1 3 356.417 0.646 20 0 FCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565253879 491365892 /nfs/dbraw/zinc/36/58/92/491365892.db2.gz KLTIVABAYLTWBD-QLFBSQMISA-N 1 3 351.495 0.450 20 0 FCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565253879 491365894 /nfs/dbraw/zinc/36/58/94/491365894.db2.gz KLTIVABAYLTWBD-QLFBSQMISA-N 1 3 351.495 0.450 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000518540314 490944729 /nfs/dbraw/zinc/94/47/29/490944729.db2.gz GQDNUZSASSXGPL-RYRKJORJSA-N 1 3 366.506 0.141 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CN1C1CC1 ZINC000531484066 490960275 /nfs/dbraw/zinc/96/02/75/490960275.db2.gz ZCUHRDGRAOWGIN-ZBFHGGJFSA-N 1 3 365.522 0.854 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cccc(F)c1 ZINC000519102771 490961358 /nfs/dbraw/zinc/96/13/58/490961358.db2.gz DIHWGMDRFJGILE-UHFFFAOYSA-N 1 3 352.454 0.736 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812239 490975287 /nfs/dbraw/zinc/97/52/87/490975287.db2.gz HNAYWLYXVHRMFA-WBVHZDCISA-N 1 3 363.506 0.419 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812239 490975289 /nfs/dbraw/zinc/97/52/89/490975289.db2.gz HNAYWLYXVHRMFA-WBVHZDCISA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCN(c2ncc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cn2)CC1 ZINC000519603750 490978999 /nfs/dbraw/zinc/97/89/99/490978999.db2.gz IMPDNGJDMNPWKZ-MSOLQXFVSA-N 1 3 360.506 0.557 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000531935306 490981267 /nfs/dbraw/zinc/98/12/67/490981267.db2.gz YUEHXSPKPGCUAC-ZWKOTPCHSA-N 1 3 369.554 0.765 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000519643554 490981482 /nfs/dbraw/zinc/98/14/82/490981482.db2.gz SVZGNZYQISZGBI-NVXWUHKLSA-N 1 3 350.507 0.635 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000532390356 490992202 /nfs/dbraw/zinc/99/22/02/490992202.db2.gz LJQUPDKDOMBKEM-UHFFFAOYSA-N 1 3 369.554 0.549 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432523 491376190 /nfs/dbraw/zinc/37/61/90/491376190.db2.gz VEVRSUYTOXLICR-RCCFBDPRSA-N 1 3 371.485 0.777 20 0 FCADHO Cc1ccc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000565437291 491377071 /nfs/dbraw/zinc/37/70/71/491377071.db2.gz LLERKXZXHNLJMC-UHFFFAOYSA-N 1 3 362.518 0.914 20 0 FCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270748 493337793 /nfs/dbraw/zinc/33/77/93/493337793.db2.gz PMAMTGCFDQDNGE-DOTOQJQBSA-N 1 3 359.474 0.529 20 0 FCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270748 493337796 /nfs/dbraw/zinc/33/77/96/493337796.db2.gz PMAMTGCFDQDNGE-DOTOQJQBSA-N 1 3 359.474 0.529 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(F)cc1F ZINC000557696775 491391922 /nfs/dbraw/zinc/39/19/22/491391922.db2.gz OZWAPSHIZTYFTL-UHFFFAOYSA-N 1 3 370.444 0.575 20 0 FCADHO CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](CN)C1 ZINC000565765501 491398008 /nfs/dbraw/zinc/39/80/08/491398008.db2.gz SREJLENGMUXOJL-GVDBMIGSSA-N 1 3 353.511 0.039 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000565904057 491406720 /nfs/dbraw/zinc/40/67/20/491406720.db2.gz BEUKKQZCJGJVAU-WBVHZDCISA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000565904057 491406721 /nfs/dbraw/zinc/40/67/21/491406721.db2.gz BEUKKQZCJGJVAU-WBVHZDCISA-N 1 3 368.522 0.450 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000573118178 491414082 /nfs/dbraw/zinc/41/40/82/491414082.db2.gz PNZCDJWBLHOZBF-MRXNPFEDSA-N 1 3 355.446 0.865 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C[C@@H](C)O1 ZINC000566157422 491421565 /nfs/dbraw/zinc/42/15/65/491421565.db2.gz HATKDFNNFZBLQB-HUUCEWRRSA-N 1 3 364.494 0.588 20 0 FCADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000573250889 491422392 /nfs/dbraw/zinc/42/23/92/491422392.db2.gz JDDPCJJVHLRCMT-QZTJIDSGSA-N 1 3 374.485 0.817 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573346513 491428272 /nfs/dbraw/zinc/42/82/72/491428272.db2.gz DZEBSDPKAFMWHJ-GVDBMIGSSA-N 1 3 363.506 0.323 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000558412998 491429442 /nfs/dbraw/zinc/42/94/42/491429442.db2.gz XCVPNTFKUGYEHE-HZPDHXFCSA-N 1 3 350.507 0.847 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000558412998 491429444 /nfs/dbraw/zinc/42/94/44/491429444.db2.gz XCVPNTFKUGYEHE-HZPDHXFCSA-N 1 3 350.507 0.847 20 0 FCADHO Cc1cccc(C)c1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000558417301 491429772 /nfs/dbraw/zinc/42/97/72/491429772.db2.gz DLOFJNXNUZFLQE-UHFFFAOYSA-N 1 3 362.518 0.914 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N(C)CCC[NH3+])CCCC2)CC1 ZINC000566511355 491450552 /nfs/dbraw/zinc/45/05/52/491450552.db2.gz PUVQWPNFEJIFGR-UHFFFAOYSA-N 1 3 354.495 0.333 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C2CC[NH+](C3CC3)CC2)cn1 ZINC000558997290 491451008 /nfs/dbraw/zinc/45/10/08/491451008.db2.gz KLPVYHSEXSIQCR-UHFFFAOYSA-N 1 3 362.478 0.374 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000559011367 491451468 /nfs/dbraw/zinc/45/14/68/491451468.db2.gz RDBGPIXEXGCREG-UHFFFAOYSA-N 1 3 350.438 0.667 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[NH2+]CC1 ZINC000566562081 491453281 /nfs/dbraw/zinc/45/32/81/491453281.db2.gz DDYXSGNDJCWROV-DZGCQCFKSA-N 1 3 369.462 0.246 20 0 FCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000573924973 491463282 /nfs/dbraw/zinc/46/32/82/491463282.db2.gz ZGSXSBXWKDOYJP-ZWKOTPCHSA-N 1 3 374.485 0.742 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000573995568 491467741 /nfs/dbraw/zinc/46/77/41/491467741.db2.gz OZSDDMJHYBPIQM-UHFFFAOYSA-N 1 3 353.492 0.522 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000573995568 491467743 /nfs/dbraw/zinc/46/77/43/491467743.db2.gz OZSDDMJHYBPIQM-UHFFFAOYSA-N 1 3 353.492 0.522 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000567067003 491483818 /nfs/dbraw/zinc/48/38/18/491483818.db2.gz LMPZJNHAJAZXGW-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000559687369 491491463 /nfs/dbraw/zinc/49/14/63/491491463.db2.gz YERYVIFYXGEUQB-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO CCc1nc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000567349805 491501370 /nfs/dbraw/zinc/50/13/70/491501370.db2.gz XWNAJTAXSZCLLX-UHFFFAOYSA-N 1 3 369.535 0.616 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000574511046 491501781 /nfs/dbraw/zinc/50/17/81/491501781.db2.gz RSTBQFYOYQKMLN-RDJZCZTQSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000567381829 491502830 /nfs/dbraw/zinc/50/28/30/491502830.db2.gz MTFWEHYQPSZVEC-OAHLLOKOSA-N 1 3 368.547 0.723 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000559862359 491505688 /nfs/dbraw/zinc/50/56/88/491505688.db2.gz LBEFEVPMQJYJRN-CRAIPNDOSA-N 1 3 370.563 0.730 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000559862359 491505690 /nfs/dbraw/zinc/50/56/90/491505690.db2.gz LBEFEVPMQJYJRN-CRAIPNDOSA-N 1 3 370.563 0.730 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559866874 491506129 /nfs/dbraw/zinc/50/61/29/491506129.db2.gz GDSVPDMMPKYRNT-KSSFIOAISA-N 1 3 370.563 0.777 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868682 491506944 /nfs/dbraw/zinc/50/69/44/491506944.db2.gz TUQQWBPKODZGEE-MAUKXSAKSA-N 1 3 368.547 0.484 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCc2occc21 ZINC000559905746 491509777 /nfs/dbraw/zinc/50/97/77/491509777.db2.gz ZMTDNFCGCFLJHU-HNNXBMFYSA-N 1 3 350.463 0.725 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000560027501 491516734 /nfs/dbraw/zinc/51/67/34/491516734.db2.gz HLSVQNJPDSFNIF-IKGGRYGDSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC(C)CC1 ZINC000560027501 491516736 /nfs/dbraw/zinc/51/67/36/491516736.db2.gz HLSVQNJPDSFNIF-IKGGRYGDSA-N 1 3 350.507 0.966 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000574806685 491521108 /nfs/dbraw/zinc/52/11/08/491521108.db2.gz KZZYOSKDNYBXPE-SFHVURJKSA-N 1 3 373.501 0.631 20 0 FCADHO O=C1c2ccccc2C(=O)N1C[C@@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000567734697 491525986 /nfs/dbraw/zinc/52/59/86/491525986.db2.gz UQSRQNUBJJXYGX-HNNXBMFYSA-N 1 3 361.442 0.080 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583405 493348473 /nfs/dbraw/zinc/34/84/73/493348473.db2.gz LDVDVPTZSDSFGR-SJORKVTESA-N 1 3 368.522 0.329 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000567841573 491534149 /nfs/dbraw/zinc/53/41/49/491534149.db2.gz IJSZTSWTFIAVRI-PMPSAXMXSA-N 1 3 351.495 0.319 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000567841571 491534196 /nfs/dbraw/zinc/53/41/96/491534196.db2.gz IJSZTSWTFIAVRI-JYJNAYRXSA-N 1 3 351.495 0.319 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000575119133 491540151 /nfs/dbraw/zinc/54/01/51/491540151.db2.gz DZFORHCOKAODRD-TXPKVOOTSA-N 1 3 350.507 0.825 20 0 FCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568286851 491566996 /nfs/dbraw/zinc/56/69/96/491566996.db2.gz IEOYATNYSKGFDT-ZWKOTPCHSA-N 1 3 373.501 0.982 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568294367 491568029 /nfs/dbraw/zinc/56/80/29/491568029.db2.gz PYUCXWJLKZBVEJ-ZWKOTPCHSA-N 1 3 358.486 0.615 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568294365 491568054 /nfs/dbraw/zinc/56/80/54/491568054.db2.gz PYUCXWJLKZBVEJ-QZTJIDSGSA-N 1 3 358.486 0.615 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCN(C)C3=O)CC2)CC1 ZINC000575933175 491571121 /nfs/dbraw/zinc/57/11/21/491571121.db2.gz FSSOPYAIAHQQFQ-KRWDZBQOSA-N 1 3 350.507 0.872 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000561122765 491576559 /nfs/dbraw/zinc/57/65/59/491576559.db2.gz RNWDDSOZELTGJE-MRXNPFEDSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000561249358 491589675 /nfs/dbraw/zinc/58/96/75/491589675.db2.gz BTLJIAUSHZWQKP-UHFFFAOYSA-N 1 3 365.526 0.498 20 0 FCADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000577117556 491592166 /nfs/dbraw/zinc/59/21/66/491592166.db2.gz XZOLFSICIKWXMP-IBGZPJMESA-N 1 3 359.518 0.850 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000584464505 491594167 /nfs/dbraw/zinc/59/41/67/491594167.db2.gz RRYHDZDTIHKLRK-GDAAHCPNSA-N 1 3 370.497 0.915 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577148684 491595329 /nfs/dbraw/zinc/59/53/29/491595329.db2.gz WZOSYMDENHOSJQ-UHFFFAOYSA-N 1 3 354.495 0.014 20 0 FCADHO CC(C)O[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000584495345 491597265 /nfs/dbraw/zinc/59/72/65/491597265.db2.gz COJOTSFWHJJWNB-HOTGVXAUSA-N 1 3 370.538 0.647 20 0 FCADHO CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000584495344 491597375 /nfs/dbraw/zinc/59/73/75/491597375.db2.gz COJOTSFWHJJWNB-CVEARBPZSA-N 1 3 370.538 0.647 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561424948 491606709 /nfs/dbraw/zinc/60/67/09/491606709.db2.gz GDTDOHOZBXGYKU-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000561424948 491606712 /nfs/dbraw/zinc/60/67/12/491606712.db2.gz GDTDOHOZBXGYKU-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000576566175 491625528 /nfs/dbraw/zinc/62/55/28/491625528.db2.gz IHOGUGSPSXQPJP-SFHVURJKSA-N 1 3 362.499 0.824 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000576663927 491633995 /nfs/dbraw/zinc/63/39/95/491633995.db2.gz NYJJQICALXPLQD-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000576663927 491633998 /nfs/dbraw/zinc/63/39/98/491633998.db2.gz NYJJQICALXPLQD-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000576663924 491634301 /nfs/dbraw/zinc/63/43/01/491634301.db2.gz NYJJQICALXPLQD-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000576663924 491634304 /nfs/dbraw/zinc/63/43/04/491634304.db2.gz NYJJQICALXPLQD-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569251162 491646359 /nfs/dbraw/zinc/64/63/59/491646359.db2.gz JPCGDCXKOSKXMA-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000569251162 491646362 /nfs/dbraw/zinc/64/63/62/491646362.db2.gz JPCGDCXKOSKXMA-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000577741586 491647774 /nfs/dbraw/zinc/64/77/74/491647774.db2.gz QSAPRJHQXFGVGZ-GBESFXJTSA-N 1 3 357.502 0.806 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000578095638 491669938 /nfs/dbraw/zinc/66/99/38/491669938.db2.gz YAMIZPNQHXKQHX-IRXDYDNUSA-N 1 3 366.506 0.035 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251753 491673331 /nfs/dbraw/zinc/67/33/31/491673331.db2.gz ODUYYNJZTRMZRL-CVEARBPZSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251753 491673332 /nfs/dbraw/zinc/67/33/32/491673332.db2.gz ODUYYNJZTRMZRL-CVEARBPZSA-N 1 3 366.506 0.204 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1c1cccc(F)c1 ZINC000578433969 491677111 /nfs/dbraw/zinc/67/71/11/491677111.db2.gz RWYUYMDKOGHLDM-FGTMMUONSA-N 1 3 374.460 0.776 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610392 491680693 /nfs/dbraw/zinc/68/06/93/491680693.db2.gz PFKCHLUHHYNIKD-JJTUDDRGSA-N 1 3 350.507 0.822 20 0 FCADHO COC(=O)C1CC[NH+](CCCNC(=O)c2conc2C(C)(C)N)CC1 ZINC000578882554 491686469 /nfs/dbraw/zinc/68/64/69/491686469.db2.gz KQSQGVHOYIZNTM-UHFFFAOYSA-N 1 3 352.435 0.873 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000578996741 491688675 /nfs/dbraw/zinc/68/86/75/491688675.db2.gz RWRNLBJAJUMISS-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000578996741 491688676 /nfs/dbraw/zinc/68/86/76/491688676.db2.gz RWRNLBJAJUMISS-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2c1cc(F)cc2F ZINC000579067070 491690160 /nfs/dbraw/zinc/69/01/60/491690160.db2.gz MFNUSZFNFAXVGF-UHFFFAOYSA-N 1 3 368.428 0.806 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C[NH+]1CCCC1 ZINC000579138013 491691886 /nfs/dbraw/zinc/69/18/86/491691886.db2.gz LKPLIZRRWLKVAV-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210959 491693164 /nfs/dbraw/zinc/69/31/64/491693164.db2.gz ALFJKYFWFKXLOO-RBUKOAKNSA-N 1 3 359.518 0.848 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cn1 ZINC000579589099 491701035 /nfs/dbraw/zinc/70/10/35/491701035.db2.gz WJBWKPLTDGAUKC-KBXCAEBGSA-N 1 3 362.478 0.279 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000579735729 491704245 /nfs/dbraw/zinc/70/42/45/491704245.db2.gz MYGBOGWXGKGPCL-WBVHZDCISA-N 1 3 365.522 0.713 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000579735728 491704303 /nfs/dbraw/zinc/70/43/03/491704303.db2.gz MYGBOGWXGKGPCL-RDJZCZTQSA-N 1 3 365.522 0.713 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000579952823 491710765 /nfs/dbraw/zinc/71/07/65/491710765.db2.gz QWDONJWAUWJYGQ-LSDHHAIUSA-N 1 3 364.490 0.827 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000579956651 491710917 /nfs/dbraw/zinc/71/09/17/491710917.db2.gz PNOQBWLGDGCJFY-GOSISDBHSA-N 1 3 374.485 0.698 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580414415 491730339 /nfs/dbraw/zinc/73/03/39/491730339.db2.gz SSQMIMDIULFRAF-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000581146424 491761326 /nfs/dbraw/zinc/76/13/26/491761326.db2.gz SOXMWAHHSFHDNY-INIZCTEOSA-N 1 3 368.522 0.140 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000581146424 491761328 /nfs/dbraw/zinc/76/13/28/491761328.db2.gz SOXMWAHHSFHDNY-INIZCTEOSA-N 1 3 368.522 0.140 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN(C)C2CC2)CCCO1 ZINC000581331425 491769160 /nfs/dbraw/zinc/76/91/60/491769160.db2.gz QYOMUJBIKIWSBN-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN(C)C2CC2)CCCO1 ZINC000581331425 491769161 /nfs/dbraw/zinc/76/91/61/491769161.db2.gz QYOMUJBIKIWSBN-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142734 491838861 /nfs/dbraw/zinc/83/88/61/491838861.db2.gz IXHGPKVMRCPRDQ-IEBWSBKVSA-N 1 3 354.458 0.832 20 0 FCADHO C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000583637174 491849306 /nfs/dbraw/zinc/84/93/06/491849306.db2.gz DPFLIGAFEABPRM-MGLUKCQKSA-N 1 3 351.495 0.462 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@]3(C1)CCCN(C)C3)CC[NH2+]CC2 ZINC000583807772 491852305 /nfs/dbraw/zinc/85/23/05/491852305.db2.gz ZPJRUZYIWJNHEG-OXQOHEQNSA-N 1 3 362.518 0.921 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000583945692 491855215 /nfs/dbraw/zinc/85/52/15/491855215.db2.gz CSFPNRUHDPZHLC-HRCADAONSA-N 1 3 354.495 0.188 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000583945691 491855314 /nfs/dbraw/zinc/85/53/14/491855314.db2.gz CSFPNRUHDPZHLC-BZUAXINKSA-N 1 3 354.495 0.188 20 0 FCADHO CC(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584068488 491857968 /nfs/dbraw/zinc/85/79/68/491857968.db2.gz MSELISXCIKGOAD-XNFNUYLZSA-N 1 3 362.518 0.916 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000584099142 491858381 /nfs/dbraw/zinc/85/83/81/491858381.db2.gz CNTNMBDVICTBHN-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000584099142 491858382 /nfs/dbraw/zinc/85/83/82/491858382.db2.gz CNTNMBDVICTBHN-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257566 491861899 /nfs/dbraw/zinc/86/18/99/491861899.db2.gz YMUREDJEWZQARK-QXSJWSMHSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257566 491861900 /nfs/dbraw/zinc/86/19/00/491861900.db2.gz YMUREDJEWZQARK-QXSJWSMHSA-N 1 3 350.507 0.964 20 0 FCADHO CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000595273704 491910280 /nfs/dbraw/zinc/91/02/80/491910280.db2.gz LPLBNAXXFRFOPI-IAGOWNOFSA-N 1 3 365.522 0.985 20 0 FCADHO CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000595273704 491910283 /nfs/dbraw/zinc/91/02/83/491910283.db2.gz LPLBNAXXFRFOPI-IAGOWNOFSA-N 1 3 365.522 0.985 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612780170 491950298 /nfs/dbraw/zinc/95/02/98/491950298.db2.gz FNJLWCUACPVJLC-UHFFFAOYSA-N 1 3 350.507 0.779 20 0 FCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000612781244 491950778 /nfs/dbraw/zinc/95/07/78/491950778.db2.gz UDKXUVXDWXEDSF-GOSISDBHSA-N 1 3 362.518 0.921 20 0 FCADHO O=C(NC[C@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916382 491958343 /nfs/dbraw/zinc/95/83/43/491958343.db2.gz PHRJELISBDALCE-GJZGRUSLSA-N 1 3 361.494 0.318 20 0 FCADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612919343 491958682 /nfs/dbraw/zinc/95/86/82/491958682.db2.gz UXJDOBCNPZDJEW-LSDHHAIUSA-N 1 3 361.494 0.460 20 0 FCADHO Cc1nnc2n1C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000596313706 491983932 /nfs/dbraw/zinc/98/39/32/491983932.db2.gz VJNWPMTZFWMQFB-HOCLYGCPSA-N 1 3 365.526 0.720 20 0 FCADHO Cc1nnc2n1C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000596313706 491983933 /nfs/dbraw/zinc/98/39/33/491983933.db2.gz VJNWPMTZFWMQFB-HOCLYGCPSA-N 1 3 365.526 0.720 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000597460549 492039707 /nfs/dbraw/zinc/03/97/07/492039707.db2.gz KQBWMZZKCOOYRK-UHFFFAOYSA-N 1 3 371.526 0.149 20 0 FCADHO Cc1c(C(=O)N[C@@H](CO)CN(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000614854549 492060303 /nfs/dbraw/zinc/06/03/03/492060303.db2.gz PZIWRZJAOVCMAS-OAHLLOKOSA-N 1 3 372.473 0.216 20 0 FCADHO Cc1c(C(=O)N[C@@H](CO)CN(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000614854549 492060304 /nfs/dbraw/zinc/06/03/04/492060304.db2.gz PZIWRZJAOVCMAS-OAHLLOKOSA-N 1 3 372.473 0.216 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605952587 492108010 /nfs/dbraw/zinc/10/80/10/492108010.db2.gz WETDMGNXRHMPFL-UHFFFAOYSA-N 1 3 368.570 0.339 20 0 FCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000617507173 492172741 /nfs/dbraw/zinc/17/27/41/492172741.db2.gz LNMSQBBYNGYWJS-BHYGNILZSA-N 1 3 351.495 0.886 20 0 FCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000617507173 492172743 /nfs/dbraw/zinc/17/27/43/492172743.db2.gz LNMSQBBYNGYWJS-BHYGNILZSA-N 1 3 351.495 0.886 20 0 FCADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000609487733 492210061 /nfs/dbraw/zinc/21/00/61/492210061.db2.gz DIAHHSXHSSVTER-HZPDHXFCSA-N 1 3 369.506 0.829 20 0 FCADHO O=C1NC2(CCCCC2)C(=O)N1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000641916186 492322695 /nfs/dbraw/zinc/32/26/95/492322695.db2.gz XWSKLAGSAURSBI-OAHLLOKOSA-N 1 3 352.479 0.678 20 0 FCADHO O=C1NC2(CCCCC2)C(=O)N1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000641916183 492322709 /nfs/dbraw/zinc/32/27/09/492322709.db2.gz XWSKLAGSAURSBI-HNNXBMFYSA-N 1 3 352.479 0.678 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000647597152 492332069 /nfs/dbraw/zinc/33/20/69/492332069.db2.gz QFGXXTYQSKQCJJ-CVEARBPZSA-N 1 3 367.538 0.105 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642254039 492345834 /nfs/dbraw/zinc/34/58/34/492345834.db2.gz ZYOBDBGWUPOXPN-ZWKOTPCHSA-N 1 3 358.486 0.883 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642330425 492351808 /nfs/dbraw/zinc/35/18/08/492351808.db2.gz HVRWYVPNQBLDIO-BEFAXECRSA-N 1 3 350.507 0.825 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382776 492356096 /nfs/dbraw/zinc/35/60/96/492356096.db2.gz RJXBFLRYUNJJAZ-CZUORRHYSA-N 1 3 350.463 0.658 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nnnn3C3CC3)CC2)CC1 ZINC000654844049 492359300 /nfs/dbraw/zinc/35/93/00/492359300.db2.gz DQLSFDHTVBHNHQ-UHFFFAOYSA-N 1 3 361.494 0.821 20 0 FCADHO CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793349 492362575 /nfs/dbraw/zinc/36/25/75/492362575.db2.gz USBHJARTNUUKBZ-HYVNUMGLSA-N 1 3 367.515 0.777 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000642726136 492380637 /nfs/dbraw/zinc/38/06/37/492380637.db2.gz OAJGKOQTHRQDEA-QGZVFWFLSA-N 1 3 358.486 0.460 20 0 FCADHO CN(CCCNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977761 492390816 /nfs/dbraw/zinc/39/08/16/492390816.db2.gz HFUZVWHXIJKPAV-CVEARBPZSA-N 1 3 374.551 0.096 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000642785807 492391701 /nfs/dbraw/zinc/39/17/01/492391701.db2.gz LZLCTXSKOAVNPG-KZNAEPCWSA-N 1 3 362.518 0.968 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642902131 492399071 /nfs/dbraw/zinc/39/90/71/492399071.db2.gz KZJHWCGHWSGCIE-INIZCTEOSA-N 1 3 364.465 0.974 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000648105475 492399214 /nfs/dbraw/zinc/39/92/14/492399214.db2.gz BIWYMQSHFAMHCF-MELADBBJSA-N 1 3 358.433 0.338 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000642918951 492403683 /nfs/dbraw/zinc/40/36/83/492403683.db2.gz INHXDEGFNPJPTI-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)C1 ZINC000642921477 492404929 /nfs/dbraw/zinc/40/49/29/492404929.db2.gz VMETVEWVCFQXRU-ZWKOTPCHSA-N 1 3 373.501 0.041 20 0 FCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)C1 ZINC000642921477 492404931 /nfs/dbraw/zinc/40/49/31/492404931.db2.gz VMETVEWVCFQXRU-ZWKOTPCHSA-N 1 3 373.501 0.041 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000642943844 492405359 /nfs/dbraw/zinc/40/53/59/492405359.db2.gz HAHYTJMLRDZMAT-KRWDZBQOSA-N 1 3 359.474 0.754 20 0 FCADHO CCC[C@H](O)[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655148210 492406869 /nfs/dbraw/zinc/40/68/69/492406869.db2.gz ZMQOJCRXOPSWFH-ROUUACIJSA-N 1 3 355.523 0.821 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000642993517 492412759 /nfs/dbraw/zinc/41/27/59/492412759.db2.gz DTBMWHSKXUWDBH-SFHVURJKSA-N 1 3 356.470 0.755 20 0 FCADHO CN1CCCC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000635456212 492451532 /nfs/dbraw/zinc/45/15/32/492451532.db2.gz ARJLVUNPVQKBNG-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655714373 492478221 /nfs/dbraw/zinc/47/82/21/492478221.db2.gz BRPNZIJTYYBDAY-WMZOPIPTSA-N 1 3 352.523 0.807 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)CCO1 ZINC000643494242 492481972 /nfs/dbraw/zinc/48/19/72/492481972.db2.gz WLFKYJMJMCVWOI-KRWDZBQOSA-N 1 3 366.506 0.287 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000643505652 492483683 /nfs/dbraw/zinc/48/36/83/492483683.db2.gz OGRBNRBNVUWYHP-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000643503011 492483747 /nfs/dbraw/zinc/48/37/47/492483747.db2.gz YMEZVBDBDBDFFE-BZUAXINKSA-N 1 3 354.495 0.141 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643511163 492485754 /nfs/dbraw/zinc/48/57/54/492485754.db2.gz GGJIDQKZMATBKV-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)C1 ZINC000643590197 492501532 /nfs/dbraw/zinc/50/15/32/492501532.db2.gz DDHVKCJTLUZETE-HXUWFJFHSA-N 1 3 362.518 0.921 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643594502 492503671 /nfs/dbraw/zinc/50/36/71/492503671.db2.gz IIPCVCANYRSFIZ-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)ccc2[nH]c1=O ZINC000635864621 492517988 /nfs/dbraw/zinc/51/79/88/492517988.db2.gz JQSULYJIOSWSJW-GASCZTMLSA-N 1 3 357.458 0.937 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ccc2[nH]c1=O ZINC000635864621 492517990 /nfs/dbraw/zinc/51/79/90/492517990.db2.gz JQSULYJIOSWSJW-GASCZTMLSA-N 1 3 357.458 0.937 20 0 FCADHO [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028577 492521263 /nfs/dbraw/zinc/52/12/63/492521263.db2.gz MPFQHMLVHYXOFO-IAGOWNOFSA-N 1 3 366.506 0.476 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028446 492521651 /nfs/dbraw/zinc/52/16/51/492521651.db2.gz LFCMMPJSRIRRIM-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363567 492548223 /nfs/dbraw/zinc/54/82/23/492548223.db2.gz GEZDOWYMCOXEEI-IXDOHACOSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000656308164 492581746 /nfs/dbraw/zinc/58/17/46/492581746.db2.gz YNGQIGUAEZGKKD-BHYGNILZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000656308167 492581852 /nfs/dbraw/zinc/58/18/52/492581852.db2.gz YNGQIGUAEZGKKD-XIRDDKMYSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(NCCN1CC[C@H](O)C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636587932 492630975 /nfs/dbraw/zinc/63/09/75/492630975.db2.gz PQWWXTDOZULIDQ-HNNXBMFYSA-N 1 3 356.536 0.714 20 0 FCADHO O[C@@H](C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)CN1CCCC1 ZINC000629554888 492644510 /nfs/dbraw/zinc/64/45/10/492644510.db2.gz UUIKIDZBDNKVMR-IBGZPJMESA-N 1 3 350.482 0.994 20 0 FCADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629569525 492647912 /nfs/dbraw/zinc/64/79/12/492647912.db2.gz XOWSEIOXQJQIAC-QGZVFWFLSA-N 1 3 354.539 0.659 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225731 492672820 /nfs/dbraw/zinc/67/28/20/492672820.db2.gz VFWNJFWCJMQBQQ-FUHWJXTLSA-N 1 3 356.470 0.588 20 0 FCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225708 492673059 /nfs/dbraw/zinc/67/30/59/492673059.db2.gz MOCBNSKOZOAKCA-IPMKNSEASA-N 1 3 370.497 0.978 20 0 FCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225707 492673081 /nfs/dbraw/zinc/67/30/81/492673081.db2.gz MOCBNSKOZOAKCA-GBESFXJTSA-N 1 3 370.497 0.978 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000651261388 492730468 /nfs/dbraw/zinc/73/04/68/492730468.db2.gz CTUICLCMUQMLLA-KSZLIROESA-N 1 3 353.507 0.960 20 0 FCADHO O=C(NCCN1CC[C@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000637036508 492755142 /nfs/dbraw/zinc/75/51/42/492755142.db2.gz LCHQRXWFYMUMLG-ROUUACIJSA-N 1 3 362.474 0.119 20 0 FCADHO O=C(NCCN1CC[C@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000637036508 492755146 /nfs/dbraw/zinc/75/51/46/492755146.db2.gz LCHQRXWFYMUMLG-ROUUACIJSA-N 1 3 362.474 0.119 20 0 FCADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2)CC1 ZINC000644672608 492797925 /nfs/dbraw/zinc/79/79/25/492797925.db2.gz DDJXGRSUZQCCBT-IBGZPJMESA-N 1 3 371.485 0.731 20 0 FCADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873183 492807342 /nfs/dbraw/zinc/80/73/42/492807342.db2.gz GRLJKEDXAYUBCT-GOSISDBHSA-N 1 3 371.485 0.817 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652130904 492885160 /nfs/dbraw/zinc/88/51/60/492885160.db2.gz FHKZAIAXNVVLOC-GVDBMIGSSA-N 1 3 356.511 0.883 20 0 FCADHO CN1CCN(CCCS(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000631922701 492885595 /nfs/dbraw/zinc/88/55/95/492885595.db2.gz CLNKQXBEGXXFJP-QGZVFWFLSA-N 1 3 358.552 0.514 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631975051 492902144 /nfs/dbraw/zinc/90/21/44/492902144.db2.gz BULVZACOXKGLRQ-SHTZXODSSA-N 1 3 357.524 0.857 20 0 FCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000638084173 492902321 /nfs/dbraw/zinc/90/23/21/492902321.db2.gz DBHMHQSPIBELKQ-QFBILLFUSA-N 1 3 362.474 0.361 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000645419838 492903694 /nfs/dbraw/zinc/90/36/94/492903694.db2.gz UVCPEPCPIWUTAS-GOSISDBHSA-N 1 3 358.486 0.809 20 0 FCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638101284 492905778 /nfs/dbraw/zinc/90/57/78/492905778.db2.gz PEPVLFXQLCSKFB-RYUDHWBXSA-N 1 3 354.405 0.964 20 0 FCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349289 492939330 /nfs/dbraw/zinc/93/93/30/492939330.db2.gz ZWSRJSFYQFMVIG-HRCADAONSA-N 1 3 351.495 0.497 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1=O ZINC000638562850 492961008 /nfs/dbraw/zinc/96/10/08/492961008.db2.gz ZYJZIXSQTXTZRO-JHJVBQTASA-N 1 3 364.412 0.382 20 0 FCADHO CN1CC=C(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000632306897 492969509 /nfs/dbraw/zinc/96/95/09/492969509.db2.gz YLVKYYLJZOGMOD-ROUUACIJSA-N 1 3 360.502 0.769 20 0 FCADHO CN1CC=C(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000632306897 492969513 /nfs/dbraw/zinc/96/95/13/492969513.db2.gz YLVKYYLJZOGMOD-ROUUACIJSA-N 1 3 360.502 0.769 20 0 FCADHO O=C(CNS(=O)(=O)CCCN1CCCC1)NCC[NH+]1CCCCCC1 ZINC000632363338 492982833 /nfs/dbraw/zinc/98/28/33/492982833.db2.gz KNKUCRRXTRFTND-UHFFFAOYSA-N 1 3 374.551 0.384 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645855224 492983077 /nfs/dbraw/zinc/98/30/77/492983077.db2.gz RAFJZXRFMZRNGI-GVDBMIGSSA-N 1 3 350.507 0.681 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)nn1 ZINC000638904368 492985743 /nfs/dbraw/zinc/98/57/43/492985743.db2.gz JXXJPKJTTQUBSC-INIZCTEOSA-N 1 3 362.478 0.545 20 0 FCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000652725880 493005793 /nfs/dbraw/zinc/00/57/93/493005793.db2.gz WQYDNOUTSXTXLK-KRWDZBQOSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C1CC[NH+](C)CC1 ZINC000626817373 493025679 /nfs/dbraw/zinc/02/56/79/493025679.db2.gz UFJDHYOUYIOWHZ-ZDUSSCGKSA-N 1 3 360.458 0.954 20 0 FCADHO CN(C)C[C@H](CO)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000646209283 493027518 /nfs/dbraw/zinc/02/75/18/493027518.db2.gz DJGLJLUJYWQHAM-MRXNPFEDSA-N 1 3 359.474 0.764 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000626854129 493038343 /nfs/dbraw/zinc/03/83/43/493038343.db2.gz FLFWEGSNKOXLQO-UHFFFAOYSA-N 1 3 373.501 0.964 20 0 FCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658855214 493086939 /nfs/dbraw/zinc/08/69/39/493086939.db2.gz HKWUGAOWMCSIRY-IBGZPJMESA-N 1 3 372.513 0.782 20 0 FCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658855214 493086943 /nfs/dbraw/zinc/08/69/43/493086943.db2.gz HKWUGAOWMCSIRY-IBGZPJMESA-N 1 3 372.513 0.782 20 0 FCADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000633481567 493159117 /nfs/dbraw/zinc/15/91/17/493159117.db2.gz VCRVBPYYCNGKEX-UYAOXDASSA-N 1 3 361.486 0.586 20 0 FCADHO N[C@H](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091847 493162620 /nfs/dbraw/zinc/16/26/20/493162620.db2.gz QQNSUKSMLCEBGU-KURKYZTESA-N 1 3 371.485 0.823 20 0 FCADHO [NH3+]Cc1cnn(Cc2cn(C[C@]3(O)CCN(Cc4ccccc4)C3)nn2)c1 ZINC000641228845 493185028 /nfs/dbraw/zinc/18/50/28/493185028.db2.gz FDWVSUVGRFYIEG-IBGZPJMESA-N 1 3 367.457 0.619 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264822 493186455 /nfs/dbraw/zinc/18/64/55/493186455.db2.gz UCUDGAWHBJNROT-LSDHHAIUSA-N 1 3 355.508 0.434 20 0 FCADHO CCO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000659318510 493190182 /nfs/dbraw/zinc/19/01/82/493190182.db2.gz INHUWCODXKFMAO-CVEARBPZSA-N 1 3 356.511 0.212 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659583733 493216833 /nfs/dbraw/zinc/21/68/33/493216833.db2.gz QRMHORQRJLGEKB-JFIYKMOQSA-N 1 3 350.438 0.637 20 0 FCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000672696285 493234482 /nfs/dbraw/zinc/23/44/82/493234482.db2.gz BKPQZMBEFOIJMT-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000672700075 493236731 /nfs/dbraw/zinc/23/67/31/493236731.db2.gz YMYHOKLWABXOTK-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000672700075 493236734 /nfs/dbraw/zinc/23/67/34/493236734.db2.gz YMYHOKLWABXOTK-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000666924834 493237268 /nfs/dbraw/zinc/23/72/68/493237268.db2.gz MBERRTQUPJMIGP-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000666924834 493237272 /nfs/dbraw/zinc/23/72/72/493237272.db2.gz MBERRTQUPJMIGP-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666978217 493245133 /nfs/dbraw/zinc/24/51/33/493245133.db2.gz UQQLUOHMTDNCPL-DLBZAZTESA-N 1 3 354.495 0.386 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666978217 493245135 /nfs/dbraw/zinc/24/51/35/493245135.db2.gz UQQLUOHMTDNCPL-DLBZAZTESA-N 1 3 354.495 0.386 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000641492169 493246129 /nfs/dbraw/zinc/24/61/29/493246129.db2.gz WEOPFHYJVHWXHZ-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000641492169 493246132 /nfs/dbraw/zinc/24/61/32/493246132.db2.gz WEOPFHYJVHWXHZ-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)CCCC1 ZINC000659696952 493258508 /nfs/dbraw/zinc/25/85/08/493258508.db2.gz DTMNSBCEYCVFHM-UHFFFAOYSA-N 1 3 358.486 0.939 20 0 FCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672899344 493264687 /nfs/dbraw/zinc/26/46/87/493264687.db2.gz ZAFCCUIVRIYTNJ-KRWDZBQOSA-N 1 3 369.554 0.358 20 0 FCADHO [NH3+]C1CCC(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659712448 493267662 /nfs/dbraw/zinc/26/76/62/493267662.db2.gz FAEYJXKZMPJTJK-UHFFFAOYSA-N 1 3 373.501 0.796 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718266 493270256 /nfs/dbraw/zinc/27/02/56/493270256.db2.gz NLBROTMNGLROQZ-IRXDYDNUSA-N 1 3 366.506 0.380 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCCO1 ZINC000659734734 493278813 /nfs/dbraw/zinc/27/88/13/493278813.db2.gz BRKQLNDRFUSVMR-GOEBONIOSA-N 1 3 352.479 0.086 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659738175 493279826 /nfs/dbraw/zinc/27/98/26/493279826.db2.gz BCUKTJVFZYDITO-HZPDHXFCSA-N 1 3 354.495 0.188 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659738176 493279858 /nfs/dbraw/zinc/27/98/58/493279858.db2.gz BCUKTJVFZYDITO-JKSUJKDBSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CCO1 ZINC000667403052 493283139 /nfs/dbraw/zinc/28/31/39/493283139.db2.gz RRLLBAOMQQQQNB-XJKSGUPXSA-N 1 3 364.446 0.140 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811305 493303171 /nfs/dbraw/zinc/30/31/71/493303171.db2.gz JHYZODKKZUIASQ-HNNXBMFYSA-N 1 3 365.526 0.845 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811305 493303174 /nfs/dbraw/zinc/30/31/74/493303174.db2.gz JHYZODKKZUIASQ-HNNXBMFYSA-N 1 3 365.526 0.845 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000673337280 493318906 /nfs/dbraw/zinc/31/89/06/493318906.db2.gz FTHUDGRYDILIHL-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000673337280 493318909 /nfs/dbraw/zinc/31/89/09/493318909.db2.gz FTHUDGRYDILIHL-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351074 493320093 /nfs/dbraw/zinc/32/00/93/493320093.db2.gz JGODILIHVIPVHE-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000673351074 493320096 /nfs/dbraw/zinc/32/00/96/493320096.db2.gz JGODILIHVIPVHE-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000673465162 493331165 /nfs/dbraw/zinc/33/11/65/493331165.db2.gz PNIWEDFPEKMMIQ-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000673470513 493332287 /nfs/dbraw/zinc/33/22/87/493332287.db2.gz OSZWOOFFTBREIC-JKSUJKDBSA-N 1 3 356.511 0.258 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982734 493379435 /nfs/dbraw/zinc/37/94/35/493379435.db2.gz NKFKNXDOTXCHEP-FUHWJXTLSA-N 1 3 369.579 0.845 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982734 493379439 /nfs/dbraw/zinc/37/94/39/493379439.db2.gz NKFKNXDOTXCHEP-FUHWJXTLSA-N 1 3 369.579 0.845 20 0 FCADHO CN(CCCS(N)(=O)=O)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000674306327 493406381 /nfs/dbraw/zinc/40/63/81/493406381.db2.gz GPVYUQFMLQGGBZ-UHFFFAOYSA-N 1 3 360.568 0.793 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000661089728 493408661 /nfs/dbraw/zinc/40/86/61/493408661.db2.gz XPHHRQSMLARHMC-UHFFFAOYSA-N 1 3 361.490 0.921 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668788267 493411290 /nfs/dbraw/zinc/41/12/90/493411290.db2.gz YCLUCXOQAOOHFD-INIZCTEOSA-N 1 3 368.522 0.593 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000685021659 493442777 /nfs/dbraw/zinc/44/27/77/493442777.db2.gz CMAKNUSQYZOCDR-UHFFFAOYSA-N 1 3 363.462 0.999 20 0 FCADHO C[C@@H](CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596722 493449736 /nfs/dbraw/zinc/44/97/36/493449736.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H](CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596722 493449737 /nfs/dbraw/zinc/44/97/37/493449737.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H](CN1CC[C@H]2NC(=O)CC[C@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596722 493449740 /nfs/dbraw/zinc/44/97/40/493449740.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H](CN1CC[C@H]2NC(=O)CC[C@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596722 493449743 /nfs/dbraw/zinc/44/97/43/493449743.db2.gz FELFEOUZDADFAT-PECIQYQJSA-N 1 3 362.518 0.824 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000669220144 493478607 /nfs/dbraw/zinc/47/86/07/493478607.db2.gz GBJISGAQBONVBU-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000669220144 493478611 /nfs/dbraw/zinc/47/86/11/493478611.db2.gz GBJISGAQBONVBU-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669444088 493504563 /nfs/dbraw/zinc/50/45/63/493504563.db2.gz YOIJXFYDSFVNSS-JYJNAYRXSA-N 1 3 351.495 0.323 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669462499 493505131 /nfs/dbraw/zinc/50/51/31/493505131.db2.gz QHJWDHQJUSYQLV-CRAIPNDOSA-N 1 3 364.490 0.927 20 0 FCADHO C[C@@H]1CCCN(CC(=O)N2CCN(c3cnccn3)CC2)[C@@H]1CCC[NH3+] ZINC000662318423 493506068 /nfs/dbraw/zinc/50/60/68/493506068.db2.gz ZENMODHERSSEPQ-IAGOWNOFSA-N 1 3 360.506 0.965 20 0 FCADHO C[C@@H](CN1CCOCC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337596 493507679 /nfs/dbraw/zinc/50/76/79/493507679.db2.gz LUOQFZRUUKUXTM-DLBZAZTESA-N 1 3 362.522 0.719 20 0 FCADHO C[C@@H]1CN(CCN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338483 493508052 /nfs/dbraw/zinc/50/80/52/493508052.db2.gz SASAQAYKUXIJRN-SJORKVTESA-N 1 3 362.522 0.719 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662407864 493513611 /nfs/dbraw/zinc/51/36/11/493513611.db2.gz KHSYILQPBYOBOY-AWEZNQCLSA-N 1 3 370.461 0.650 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662682559 493531518 /nfs/dbraw/zinc/53/15/18/493531518.db2.gz JOEGLNKIIYCGIA-DLBZAZTESA-N 1 3 360.458 0.686 20 0 FCADHO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCN(c2ccncc2)CC1 ZINC000662754488 493538724 /nfs/dbraw/zinc/53/87/24/493538724.db2.gz PGNVDKGZPIUPNU-INIZCTEOSA-N 1 3 355.446 0.950 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755539 493539355 /nfs/dbraw/zinc/53/93/55/493539355.db2.gz CYWZHUSVPFWKAC-GUDVDZBRSA-N 1 3 360.502 0.845 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842582 493545922 /nfs/dbraw/zinc/54/59/22/493545922.db2.gz PXKJTLNPXMHKNQ-IAGOWNOFSA-N 1 3 350.507 0.635 20 0 FCADHO CCN1CCC[C@H](CN(C)C(=O)[C@H]2C[NH2+]CCOC2)[C@@H]1c1cnn(C)c1 ZINC000662863510 493547801 /nfs/dbraw/zinc/54/78/01/493547801.db2.gz HMIRUJTUUNPRRF-BPQIPLTHSA-N 1 3 363.506 0.888 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394350 493549021 /nfs/dbraw/zinc/54/90/21/493549021.db2.gz ZTBZDBPUOZPBSJ-FPOVZHCZSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394350 493549023 /nfs/dbraw/zinc/54/90/23/493549023.db2.gz ZTBZDBPUOZPBSJ-FPOVZHCZSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000662931024 493555966 /nfs/dbraw/zinc/55/59/66/493555966.db2.gz ZFOXGXHBULYUOC-MSOLQXFVSA-N 1 3 362.518 0.921 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000662939551 493556656 /nfs/dbraw/zinc/55/66/56/493556656.db2.gz AIUIGQSNJYBVJZ-UHFFFAOYSA-N 1 3 361.490 0.954 20 0 FCADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)CC1 ZINC000662943858 493558019 /nfs/dbraw/zinc/55/80/19/493558019.db2.gz ZQOYHRARAPQDHJ-UHFFFAOYSA-N 1 3 367.538 0.199 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000662951546 493560150 /nfs/dbraw/zinc/56/01/50/493560150.db2.gz LSNDDAHCRGJTJE-GHTZIAJQSA-N 1 3 372.513 0.959 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000662956990 493560514 /nfs/dbraw/zinc/56/05/14/493560514.db2.gz CTEHRRSBCRDTEE-BPQIPLTHSA-N 1 3 358.486 0.567 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662962516 493561559 /nfs/dbraw/zinc/56/15/59/493561559.db2.gz KAWKJANPNKNGBI-SFHVURJKSA-N 1 3 360.502 0.830 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019806 493567162 /nfs/dbraw/zinc/56/71/62/493567162.db2.gz VCXWQTHIGSMWPP-JYJNAYRXSA-N 1 3 360.506 0.900 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000671033355 493625672 /nfs/dbraw/zinc/62/56/72/493625672.db2.gz YRCASEMOLKQYGF-QGZVFWFLSA-N 1 3 367.538 0.119 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@@H]1O ZINC000663974887 493628446 /nfs/dbraw/zinc/62/84/46/493628446.db2.gz HARKVMMVFDUMHP-ROUUACIJSA-N 1 3 364.490 0.833 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000671071569 493629628 /nfs/dbraw/zinc/62/96/28/493629628.db2.gz PRYLZPYSBGAQKK-PBHICJAKSA-N 1 3 356.536 0.529 20 0 FCADHO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671091433 493632099 /nfs/dbraw/zinc/63/20/99/493632099.db2.gz SECVZSVZDKQATP-UHFFFAOYSA-N 1 3 371.485 0.721 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671104245 493633973 /nfs/dbraw/zinc/63/39/73/493633973.db2.gz SSZVMCOKIMJPPA-HZPDHXFCSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671104245 493633974 /nfs/dbraw/zinc/63/39/74/493633974.db2.gz SSZVMCOKIMJPPA-HZPDHXFCSA-N 1 3 366.506 0.299 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000671365611 493661050 /nfs/dbraw/zinc/66/10/50/493661050.db2.gz IVUDAKMYWYURDF-DLBZAZTESA-N 1 3 367.538 0.071 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664502811 493663792 /nfs/dbraw/zinc/66/37/92/493663792.db2.gz LGHZYCGRGQYDTF-JLSDUUJJSA-N 1 3 361.490 0.923 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404579 493666755 /nfs/dbraw/zinc/66/67/55/493666755.db2.gz NUKXQTMBTYXDRE-IRXDYDNUSA-N 1 3 373.501 0.967 20 0 FCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672014051 493725015 /nfs/dbraw/zinc/72/50/15/493725015.db2.gz POQDHXKLAABIQG-UAGQMJEPSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CC[NH+](C)CC1 ZINC000672014988 493725160 /nfs/dbraw/zinc/72/51/60/493725160.db2.gz PZLDGTFAAAVDEX-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000672165938 493740131 /nfs/dbraw/zinc/74/01/31/493740131.db2.gz UAQANFAXDHIGLP-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000672305816 493751672 /nfs/dbraw/zinc/75/16/72/493751672.db2.gz FCQFXXIHSLVKLC-ZWKOTPCHSA-N 1 3 362.518 0.777 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672306652 493752734 /nfs/dbraw/zinc/75/27/34/493752734.db2.gz RQGCEKNUKYQZAJ-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311308 493754893 /nfs/dbraw/zinc/75/48/93/493754893.db2.gz CUISJHPRWQWUSD-PBHICJAKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCN1CC(C)(C)O ZINC000187334090 534309309 /nfs/dbraw/zinc/30/93/09/534309309.db2.gz SZJOLPOWCSPPKN-MRXNPFEDSA-N 1 3 369.554 0.499 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419452402 536496651 /nfs/dbraw/zinc/49/66/51/536496651.db2.gz PGAWESRLGNXJRQ-MRXNPFEDSA-N 1 3 354.495 0.062 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419444211 536496898 /nfs/dbraw/zinc/49/68/98/536496898.db2.gz CDEYZGCGTBOKPZ-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410431095 527801818 /nfs/dbraw/zinc/80/18/18/527801818.db2.gz GSCNZDZEOWYNKL-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410431095 527801822 /nfs/dbraw/zinc/80/18/22/527801822.db2.gz GSCNZDZEOWYNKL-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000189261242 528189801 /nfs/dbraw/zinc/18/98/01/528189801.db2.gz DPIMBXRAGUJQHT-UHFFFAOYSA-N 1 3 364.494 0.716 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413614556 528437852 /nfs/dbraw/zinc/43/78/52/528437852.db2.gz GSCNNWKLDNISGE-UHFFFAOYSA-N 1 3 369.554 0.766 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413591977 528831492 /nfs/dbraw/zinc/83/14/92/528831492.db2.gz VTEOFMAWMNEGBA-KRWDZBQOSA-N 1 3 369.554 0.811 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413591977 528831494 /nfs/dbraw/zinc/83/14/94/528831494.db2.gz VTEOFMAWMNEGBA-KRWDZBQOSA-N 1 3 369.554 0.811 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000411768899 528996184 /nfs/dbraw/zinc/99/61/84/528996184.db2.gz JICXKZWLBQGUBR-MOPGFXCFSA-N 1 3 353.507 0.885 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413241324 529341396 /nfs/dbraw/zinc/34/13/96/529341396.db2.gz KADSDWMJJIHAPE-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413241324 529341398 /nfs/dbraw/zinc/34/13/98/529341398.db2.gz KADSDWMJJIHAPE-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO CC1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC[NH2+]CC1 ZINC000419224919 535126493 /nfs/dbraw/zinc/12/64/93/535126493.db2.gz FZYNHFFOZKNBCW-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CC1(CNC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC[NH2+]CC1 ZINC000419224918 535127092 /nfs/dbraw/zinc/12/70/92/535127092.db2.gz FZYNHFFOZKNBCW-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419591402 535502325 /nfs/dbraw/zinc/50/23/25/535502325.db2.gz QZDXXDHCJZLHBI-OKZBNKHCSA-N 1 3 358.486 0.930 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423619180 535549651 /nfs/dbraw/zinc/54/96/51/535549651.db2.gz HZOKJOFNTWYXRC-HOTGVXAUSA-N 1 3 354.495 0.286 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369322 535669256 /nfs/dbraw/zinc/66/92/56/535669256.db2.gz HMHCUPLIYASZTF-MSOLQXFVSA-N 1 3 360.502 0.924 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419824359 535709866 /nfs/dbraw/zinc/70/98/66/535709866.db2.gz MRAUMLQYQBEXPK-BRWVUGGUSA-N 1 3 367.538 0.010 20 0 FCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419877819 535862406 /nfs/dbraw/zinc/86/24/06/535862406.db2.gz IVJCIDDANOPDKL-HNNXBMFYSA-N 1 3 352.866 0.708 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423368787 535866807 /nfs/dbraw/zinc/86/68/07/535866807.db2.gz NNZDOQLCYWSEPJ-XIRDDKMYSA-N 1 3 362.474 0.756 20 0 FCADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423711248 535973058 /nfs/dbraw/zinc/97/30/58/535973058.db2.gz MASKKULQVDXDSA-ROUUACIJSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000416877259 536004306 /nfs/dbraw/zinc/00/43/06/536004306.db2.gz COFTYGMYCRSSKL-QGZVFWFLSA-N 1 3 361.490 0.745 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000414778407 536469645 /nfs/dbraw/zinc/46/96/45/536469645.db2.gz PZPOMYGXWNPDHQ-KRWDZBQOSA-N 1 3 362.474 0.914 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419769849 536481116 /nfs/dbraw/zinc/48/11/16/536481116.db2.gz WGOPUQOLCBRWGH-MSOLQXFVSA-N 1 3 374.485 0.199 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419756481 536746116 /nfs/dbraw/zinc/74/61/16/536746116.db2.gz SGNCZOHVNFWMNN-MRXNPFEDSA-N 1 3 368.522 0.626 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419751278 536746985 /nfs/dbraw/zinc/74/69/85/536746985.db2.gz KEYICNMVKGBXDA-HOCLYGCPSA-N 1 3 368.522 0.626 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000419872748 536893095 /nfs/dbraw/zinc/89/30/95/536893095.db2.gz CULYUCRKNPLSRM-SZMVWBNQSA-N 1 3 374.485 0.419 20 0 FCADHO COC[C@]1(CNC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000641800257 546960380 /nfs/dbraw/zinc/96/03/80/546960380.db2.gz AYMWYGDFBCASOR-SJLPKXTDSA-N 1 3 353.511 0.176 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550904529 547114746 /nfs/dbraw/zinc/11/47/46/547114746.db2.gz YRBIZWZSMWEPJU-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550904529 547114751 /nfs/dbraw/zinc/11/47/51/547114751.db2.gz YRBIZWZSMWEPJU-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550904532 547115062 /nfs/dbraw/zinc/11/50/62/547115062.db2.gz YRBIZWZSMWEPJU-PMPSAXMXSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550904532 547115066 /nfs/dbraw/zinc/11/50/66/547115066.db2.gz YRBIZWZSMWEPJU-PMPSAXMXSA-N 1 3 350.507 0.824 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000550957731 547116914 /nfs/dbraw/zinc/11/69/14/547116914.db2.gz NJVKSNUCUUMNPC-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000550957731 547116920 /nfs/dbraw/zinc/11/69/20/547116920.db2.gz NJVKSNUCUUMNPC-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCSC1 ZINC000551216970 547135419 /nfs/dbraw/zinc/13/54/19/547135419.db2.gz GNWMGBYSOHQLKL-YJBOKZPZSA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCSC1 ZINC000551216970 547135423 /nfs/dbraw/zinc/13/54/23/547135423.db2.gz GNWMGBYSOHQLKL-YJBOKZPZSA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCSC1 ZINC000551220730 547135500 /nfs/dbraw/zinc/13/55/00/547135500.db2.gz OERXKUVHUZTMQA-QGZVFWFLSA-N 1 3 356.536 0.484 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCSC1 ZINC000551216968 547136011 /nfs/dbraw/zinc/13/60/11/547136011.db2.gz GNWMGBYSOHQLKL-MAUKXSAKSA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCSC1 ZINC000551216968 547136015 /nfs/dbraw/zinc/13/60/15/547136015.db2.gz GNWMGBYSOHQLKL-MAUKXSAKSA-N 1 3 370.563 0.873 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000551329212 547141464 /nfs/dbraw/zinc/14/14/64/547141464.db2.gz MYRDLUQUZAVJMM-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000551329212 547141470 /nfs/dbraw/zinc/14/14/70/547141470.db2.gz MYRDLUQUZAVJMM-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551499699 547149061 /nfs/dbraw/zinc/14/90/61/547149061.db2.gz VWUIBRUBJBCXFA-TWMKSMIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551499699 547149062 /nfs/dbraw/zinc/14/90/62/547149062.db2.gz VWUIBRUBJBCXFA-TWMKSMIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000553359649 547272437 /nfs/dbraw/zinc/27/24/37/547272437.db2.gz AVGCIQKASYZMBA-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000553359649 547272440 /nfs/dbraw/zinc/27/24/40/547272440.db2.gz AVGCIQKASYZMBA-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO NC(C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(F)(F)F ZINC000663017332 547356716 /nfs/dbraw/zinc/35/67/16/547356716.db2.gz JISJBHCHYMSSNH-GWCFXTLKSA-N 1 3 360.384 0.415 20 0 FCADHO Cn1nnnc1SCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797267 547414563 /nfs/dbraw/zinc/41/45/63/547414563.db2.gz QTXPWESGPVNOFD-UHFFFAOYSA-N 1 3 367.523 0.367 20 0 FCADHO CC[NH+]1CCC(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821242492 599449119 /nfs/dbraw/zinc/44/91/19/599449119.db2.gz TVXNFXJGDDWPJZ-AWEZNQCLSA-N 1 3 359.482 0.817 20 0 FCADHO CC[NH+]1CCC(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821242492 599449120 /nfs/dbraw/zinc/44/91/20/599449120.db2.gz TVXNFXJGDDWPJZ-AWEZNQCLSA-N 1 3 359.482 0.817 20 0 FCADHO CNC(=O)CN1CCC2(CC1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC000957552448 674545857 /nfs/dbraw/zinc/54/58/57/674545857.db2.gz PRPJJSFXHGVNES-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CNC(=O)CN1CCC2(CC1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC000957552448 674545859 /nfs/dbraw/zinc/54/58/59/674545859.db2.gz PRPJJSFXHGVNES-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000891482587 663409012 /nfs/dbraw/zinc/40/90/12/663409012.db2.gz KITJWWOCWKTFMK-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000933848410 663444600 /nfs/dbraw/zinc/44/46/00/663444600.db2.gz TUUDTELVRWXDCU-INIZCTEOSA-N 1 3 350.507 0.779 20 0 FCADHO COCCC1(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC[NH2+]CC1 ZINC000891881018 663445997 /nfs/dbraw/zinc/44/59/97/663445997.db2.gz SGDCAGLJSJSPKY-UHFFFAOYSA-N 1 3 355.527 0.470 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000891980253 663461028 /nfs/dbraw/zinc/46/10/28/663461028.db2.gz UMOZLWMMSFVOAN-OAHLLOKOSA-N 1 3 351.495 0.501 20 0 FCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892090092 663475001 /nfs/dbraw/zinc/47/50/01/663475001.db2.gz CMRFLJFHRMSDJT-HUUCEWRRSA-N 1 3 351.495 0.500 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892649785 664059172 /nfs/dbraw/zinc/05/91/72/664059172.db2.gz MAJQUUIQTGRGJY-OWCLPIDISA-N 1 3 351.495 0.132 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892649785 664059173 /nfs/dbraw/zinc/05/91/73/664059173.db2.gz MAJQUUIQTGRGJY-OWCLPIDISA-N 1 3 351.495 0.132 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892651518 664059339 /nfs/dbraw/zinc/05/93/39/664059339.db2.gz ZJJYHDAZCMNMEK-HRCADAONSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892651518 664059343 /nfs/dbraw/zinc/05/93/43/664059343.db2.gz ZJJYHDAZCMNMEK-HRCADAONSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)N1CCc2sc(CN)nc2C1 ZINC000892880095 664153071 /nfs/dbraw/zinc/15/30/71/664153071.db2.gz ZPJPJSRCCJKNAT-UHFFFAOYSA-N 1 3 368.551 0.895 20 0 FCADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)N1CCc2sc(CN)nc2C1 ZINC000892880095 664153072 /nfs/dbraw/zinc/15/30/72/664153072.db2.gz ZPJPJSRCCJKNAT-UHFFFAOYSA-N 1 3 368.551 0.895 20 0 FCADHO CN(CCCN(C)C(=O)N1CCc2sc(CN)nc2C1)CC[NH+](C)C ZINC000892880095 664153074 /nfs/dbraw/zinc/15/30/74/664153074.db2.gz ZPJPJSRCCJKNAT-UHFFFAOYSA-N 1 3 368.551 0.895 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000978869501 664448385 /nfs/dbraw/zinc/44/83/85/664448385.db2.gz FUNOBQATRRXVDC-DMRKSPOLSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000978869501 664448387 /nfs/dbraw/zinc/44/83/87/664448387.db2.gz FUNOBQATRRXVDC-DMRKSPOLSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000978869561 664448497 /nfs/dbraw/zinc/44/84/97/664448497.db2.gz GPUPHQPUUNZWEV-DMRKSPOLSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000978869561 664448502 /nfs/dbraw/zinc/44/85/02/664448502.db2.gz GPUPHQPUUNZWEV-DMRKSPOLSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000985442813 665167660 /nfs/dbraw/zinc/16/76/60/665167660.db2.gz SKXQFOBQYPLAPD-BFYDXBDKSA-N 1 3 371.547 0.684 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000985442813 665167661 /nfs/dbraw/zinc/16/76/61/665167661.db2.gz SKXQFOBQYPLAPD-BFYDXBDKSA-N 1 3 371.547 0.684 20 0 FCADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000897443592 665288540 /nfs/dbraw/zinc/28/85/40/665288540.db2.gz XSIPOLXEGWSASG-JKSUJKDBSA-N 1 3 351.495 0.276 20 0 FCADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000897443592 665288542 /nfs/dbraw/zinc/28/85/42/665288542.db2.gz XSIPOLXEGWSASG-JKSUJKDBSA-N 1 3 351.495 0.276 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C(=O)NCC3(C)C)CC2)CC1 ZINC000912642018 666463792 /nfs/dbraw/zinc/46/37/92/666463792.db2.gz VIBXMBPMIYAAIJ-INIZCTEOSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000991429505 666504520 /nfs/dbraw/zinc/50/45/20/666504520.db2.gz NXIZKWQZGNMCSN-OIISXLGYSA-N 1 3 350.507 0.917 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000991429505 666504524 /nfs/dbraw/zinc/50/45/24/666504524.db2.gz NXIZKWQZGNMCSN-OIISXLGYSA-N 1 3 350.507 0.917 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000913330693 666522015 /nfs/dbraw/zinc/52/20/15/666522015.db2.gz IBOWIYDSFQIBQV-LJQANCHMSA-N 1 3 353.507 0.937 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000913330693 666522017 /nfs/dbraw/zinc/52/20/17/666522017.db2.gz IBOWIYDSFQIBQV-LJQANCHMSA-N 1 3 353.507 0.937 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884933 666530834 /nfs/dbraw/zinc/53/08/34/666530834.db2.gz VNHAQRJJUMNYQJ-XYPHTWIQSA-N 1 3 350.507 0.632 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)CC[N@@H+]1C ZINC000941995140 666691927 /nfs/dbraw/zinc/69/19/27/666691927.db2.gz VJNFBUGVHBPYDV-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)CC[N@H+]1C ZINC000941995140 666691929 /nfs/dbraw/zinc/69/19/29/666691929.db2.gz VJNFBUGVHBPYDV-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002248315 667526684 /nfs/dbraw/zinc/52/66/84/667526684.db2.gz OUUDOVGASALGOU-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002248315 667526689 /nfs/dbraw/zinc/52/66/89/667526689.db2.gz OUUDOVGASALGOU-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001002258463 667528636 /nfs/dbraw/zinc/52/86/36/667528636.db2.gz OFFOXAXXEARSBD-DLBZAZTESA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001002258463 667528641 /nfs/dbraw/zinc/52/86/41/667528641.db2.gz OFFOXAXXEARSBD-DLBZAZTESA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186463 667775330 /nfs/dbraw/zinc/77/53/30/667775330.db2.gz CYUCGXZHYGFTCQ-BZUAXINKSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186463 667775337 /nfs/dbraw/zinc/77/53/37/667775337.db2.gz CYUCGXZHYGFTCQ-BZUAXINKSA-N 1 3 350.507 0.905 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](O)COc1ccc(F)cc1 ZINC000923346253 667827295 /nfs/dbraw/zinc/82/72/95/667827295.db2.gz QOXQYDFIJSRMJT-HOTGVXAUSA-N 1 3 353.438 0.885 20 0 FCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000923481804 667839899 /nfs/dbraw/zinc/83/98/99/667839899.db2.gz LXUJWNLPQBRWLN-QGZVFWFLSA-N 1 3 352.523 0.808 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000764500905 667985411 /nfs/dbraw/zinc/98/54/11/667985411.db2.gz ASJHCROHMNHUEL-JKSUJKDBSA-N 1 3 367.563 0.584 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000764500905 667985413 /nfs/dbraw/zinc/98/54/13/667985413.db2.gz ASJHCROHMNHUEL-JKSUJKDBSA-N 1 3 367.563 0.584 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786594316 668766575 /nfs/dbraw/zinc/76/65/75/668766575.db2.gz JUGNKURSQHKPDD-UHFFFAOYSA-N 1 3 355.870 0.303 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCCCC1 ZINC000788252023 668821449 /nfs/dbraw/zinc/82/14/49/668821449.db2.gz NLAYBJIKJHCHEQ-WMLDXEAASA-N 1 3 356.536 0.531 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000793701377 668942821 /nfs/dbraw/zinc/94/28/21/668942821.db2.gz PYGVQOJPNMOIEB-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000793701377 668942828 /nfs/dbraw/zinc/94/28/28/668942828.db2.gz PYGVQOJPNMOIEB-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000793701408 668942959 /nfs/dbraw/zinc/94/29/59/668942959.db2.gz QDZIBTHXHOUCIN-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000793701379 668943027 /nfs/dbraw/zinc/94/30/27/668943027.db2.gz PYGVQOJPNMOIEB-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000793701379 668943030 /nfs/dbraw/zinc/94/30/30/668943030.db2.gz PYGVQOJPNMOIEB-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793713350 668944822 /nfs/dbraw/zinc/94/48/22/668944822.db2.gz ONRUQLSCKPEKGH-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO Cc1cccc(F)c1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000807518534 669495447 /nfs/dbraw/zinc/49/54/47/669495447.db2.gz XEBVYRKSVOXBRF-UHFFFAOYSA-N 1 3 352.454 0.702 20 0 FCADHO Cc1ncc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000807937993 669527395 /nfs/dbraw/zinc/52/73/95/669527395.db2.gz RMHFPEONDUOWFP-UHFFFAOYSA-N 1 3 355.508 0.062 20 0 FCADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCCN1CCCCCC1=O ZINC000843363776 670807279 /nfs/dbraw/zinc/80/72/79/670807279.db2.gz QCFCLSYQVADVTH-UHFFFAOYSA-N 1 3 350.507 0.971 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000967850310 675164173 /nfs/dbraw/zinc/16/41/73/675164173.db2.gz SKQPAPLUGHJVHX-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000967850310 675164176 /nfs/dbraw/zinc/16/41/76/675164176.db2.gz SKQPAPLUGHJVHX-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000968016309 675178753 /nfs/dbraw/zinc/17/87/53/675178753.db2.gz WZACKDUZHHUGGH-BFYDXBDKSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC000968016309 675178755 /nfs/dbraw/zinc/17/87/55/675178755.db2.gz WZACKDUZHHUGGH-BFYDXBDKSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000849109142 671318263 /nfs/dbraw/zinc/31/82/63/671318263.db2.gz WFHFHUAUYJKLKG-CQSZACIVSA-N 1 3 353.492 0.741 20 0 FCADHO CN1CCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000849112438 671318699 /nfs/dbraw/zinc/31/86/99/671318699.db2.gz OIRHZQXSXJLTAO-UHFFFAOYSA-N 1 3 356.515 0.651 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853683339 671554200 /nfs/dbraw/zinc/55/42/00/671554200.db2.gz QUVDIGLQZMBNBA-IXDOHACOSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853683339 671554201 /nfs/dbraw/zinc/55/42/01/671554201.db2.gz QUVDIGLQZMBNBA-IXDOHACOSA-N 1 3 352.479 0.090 20 0 FCADHO CCn1ncn(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1=O ZINC000854628956 671590690 /nfs/dbraw/zinc/59/06/90/671590690.db2.gz XCRLUHWOWUYQAU-UHFFFAOYSA-N 1 3 350.467 0.331 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736770 675965413 /nfs/dbraw/zinc/96/54/13/675965413.db2.gz MIQDYDPVWGQNGQ-QGZVFWFLSA-N 1 3 350.507 0.385 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937433 672088464 /nfs/dbraw/zinc/08/84/64/672088464.db2.gz FXYCTTIXTCMBOP-KEYYUXOJSA-N 1 3 352.458 0.804 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937433 672088465 /nfs/dbraw/zinc/08/84/65/672088465.db2.gz FXYCTTIXTCMBOP-KEYYUXOJSA-N 1 3 352.458 0.804 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000863551454 672136780 /nfs/dbraw/zinc/13/67/80/672136780.db2.gz MYRUBLRGYPMFTK-INIZCTEOSA-N 1 3 356.511 0.585 20 0 FCADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923637181 672655346 /nfs/dbraw/zinc/65/53/46/672655346.db2.gz URQQIIVHPGIAMB-ROUUACIJSA-N 1 3 366.531 0.809 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923654730 672997021 /nfs/dbraw/zinc/99/70/21/672997021.db2.gz KWPUCJTZDWFGRN-QGZVFWFLSA-N 1 3 352.504 0.385 20 0 FCADHO C[NH+]1CCC(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 ZINC000883057944 673364425 /nfs/dbraw/zinc/36/44/25/673364425.db2.gz CTIBZFWJSGFSIR-UHFFFAOYSA-N 1 3 351.495 0.596 20 0 FCADHO N[C@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413254 673452129 /nfs/dbraw/zinc/45/21/29/673452129.db2.gz NPHHVVWIRZLMSU-GJZGRUSLSA-N 1 3 367.291 0.955 20 0 FCADHO N[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413254 673452130 /nfs/dbraw/zinc/45/21/30/673452130.db2.gz NPHHVVWIRZLMSU-GJZGRUSLSA-N 1 3 367.291 0.955 20 0 FCADHO CN(CCCCCC[NH3+])C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000884508256 673458225 /nfs/dbraw/zinc/45/82/25/673458225.db2.gz YYHJVXPYRZQSLQ-UHFFFAOYSA-N 1 3 355.527 0.106 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884576597 673463558 /nfs/dbraw/zinc/46/35/58/673463558.db2.gz LDNMDLSSCVQQNP-JHJVBQTASA-N 1 3 364.412 0.430 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884617169 673466171 /nfs/dbraw/zinc/46/61/71/673466171.db2.gz IYIVTHNCNALDPK-UPJWGTAASA-N 1 3 364.412 0.573 20 0 FCADHO CCN(C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000884656780 673470080 /nfs/dbraw/zinc/47/00/80/673470080.db2.gz TXNVQFGXSSSFOD-AWEZNQCLSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884786336 673482002 /nfs/dbraw/zinc/48/20/02/673482002.db2.gz OCTIWDCXWLFYAO-KBPBESRZSA-N 1 3 360.449 0.584 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884787462 673482377 /nfs/dbraw/zinc/48/23/77/673482377.db2.gz SJOTWGCHHHPDCH-WOPDTQHZSA-N 1 3 350.385 0.183 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000885275430 673511019 /nfs/dbraw/zinc/51/10/19/673511019.db2.gz FCSHOMGZZQYXIA-ZIAGYGMSSA-N 1 3 358.433 0.434 20 0 FCADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887921524 673660799 /nfs/dbraw/zinc/66/07/99/673660799.db2.gz LNUXRHUWZAQPBF-SUNYJGFJSA-N 1 3 354.495 0.851 20 0 FCADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887921524 673660806 /nfs/dbraw/zinc/66/08/06/673660806.db2.gz LNUXRHUWZAQPBF-SUNYJGFJSA-N 1 3 354.495 0.851 20 0 FCADHO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000890508928 673720227 /nfs/dbraw/zinc/72/02/27/673720227.db2.gz BOOUVSMYZXENDK-CABCVRRESA-N 1 3 362.540 0.335 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC[N@@H+]1C ZINC001011210747 675377082 /nfs/dbraw/zinc/37/70/82/675377082.db2.gz NODRTNASTJOWDC-BBWFWOEESA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC[N@H+]1C ZINC001011210747 675377084 /nfs/dbraw/zinc/37/70/84/675377084.db2.gz NODRTNASTJOWDC-BBWFWOEESA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001018866247 675417830 /nfs/dbraw/zinc/41/78/30/675417830.db2.gz VFRGUXLPKLLHNU-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC001018866247 675417832 /nfs/dbraw/zinc/41/78/32/675417832.db2.gz VFRGUXLPKLLHNU-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC001018864991 675417845 /nfs/dbraw/zinc/41/78/45/675417845.db2.gz CTUZLPHRVYZFMG-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC001018864991 675417847 /nfs/dbraw/zinc/41/78/47/675417847.db2.gz CTUZLPHRVYZFMG-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN([C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001045444719 675653850 /nfs/dbraw/zinc/65/38/50/675653850.db2.gz GRRJHMOPFZSNPE-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN([C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001045444719 675653852 /nfs/dbraw/zinc/65/38/52/675653852.db2.gz GRRJHMOPFZSNPE-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001691019781 1168407066 /nfs/dbraw/zinc/40/70/66/1168407066.db2.gz HPMNELWWULMOOJ-LSDHHAIUSA-N 1 3 352.479 0.304 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001691019781 1168407072 /nfs/dbraw/zinc/40/70/72/1168407072.db2.gz HPMNELWWULMOOJ-LSDHHAIUSA-N 1 3 352.479 0.304 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001719580923 1168436224 /nfs/dbraw/zinc/43/62/24/1168436224.db2.gz NLKIDGOWPBHBHA-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001719580923 1168436227 /nfs/dbraw/zinc/43/62/27/1168436227.db2.gz NLKIDGOWPBHBHA-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO CN1CCCN(c2nc(NC3CC3)nc(N3CCC[N@H+](C)CC3)n2)CC1 ZINC000891438513 1170413541 /nfs/dbraw/zinc/41/35/41/1170413541.db2.gz NJUHFDKIUMHWSR-UHFFFAOYSA-N 1 3 360.510 0.152 20 0 FCADHO CN1CCCN(c2nc(NC3CC3)nc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000891438513 1170413544 /nfs/dbraw/zinc/41/35/44/1170413544.db2.gz NJUHFDKIUMHWSR-UHFFFAOYSA-N 1 3 360.510 0.152 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001691251042 1170889007 /nfs/dbraw/zinc/88/90/07/1170889007.db2.gz JVENTOIYJPXSAG-HYVNUMGLSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001691370206 1171221120 /nfs/dbraw/zinc/22/11/20/1171221120.db2.gz HUMQBXBEVBBTMC-IKGGRYGDSA-N 1 3 368.522 0.308 20 0 FCADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573438 1192889197 /nfs/dbraw/zinc/88/91/97/1192889197.db2.gz TYTIHMZVCPQGAA-IXDOHACOSA-N 1 3 364.534 0.975 20 0 FCADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573438 1192889199 /nfs/dbraw/zinc/88/91/99/1192889199.db2.gz TYTIHMZVCPQGAA-IXDOHACOSA-N 1 3 364.534 0.975 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC000972648299 1180185517 /nfs/dbraw/zinc/18/55/17/1180185517.db2.gz FWHMCCOBPUSZKL-SUMDDJOVSA-N 1 3 362.518 0.870 20 0 FCADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001024499757 1181249534 /nfs/dbraw/zinc/24/95/34/1181249534.db2.gz VRQNJOWGTKWYDF-BRWVUGGUSA-N 1 3 371.441 0.120 20 0 FCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000892497861 1181356275 /nfs/dbraw/zinc/35/62/75/1181356275.db2.gz ZEAOTFCNLMDPKS-INIZCTEOSA-N 1 3 365.522 0.714 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CCC1 ZINC000972989762 1181851484 /nfs/dbraw/zinc/85/14/84/1181851484.db2.gz KNCCWHYNOWTHJK-SJLPKXTDSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001104680734 1182362180 /nfs/dbraw/zinc/36/21/80/1182362180.db2.gz WLURBELYMAFMSC-JFIYKMOQSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001105010192 1183068360 /nfs/dbraw/zinc/06/83/60/1183068360.db2.gz BJASBSDSXLGTGF-KFWWJZLASA-N 1 3 363.462 0.639 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001105010192 1183068373 /nfs/dbraw/zinc/06/83/73/1183068373.db2.gz BJASBSDSXLGTGF-KFWWJZLASA-N 1 3 363.462 0.639 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000975201995 1183761457 /nfs/dbraw/zinc/76/14/57/1183761457.db2.gz AZHBLMNFMDOAGK-KBAYOESNSA-N 1 3 362.518 0.872 20 0 FCADHO C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C1)C1CC1 ZINC000975759158 1185727185 /nfs/dbraw/zinc/72/71/85/1185727185.db2.gz PLPCAFNACLIDSD-IEZWGBDMSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112529486 1186083260 /nfs/dbraw/zinc/08/32/60/1186083260.db2.gz BFROENWTPUOGSS-UWVAXJGDSA-N 1 3 362.518 0.779 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1)C(N)=O ZINC001211709535 1186685673 /nfs/dbraw/zinc/68/56/73/1186685673.db2.gz PQHBJXDHGJXZAL-HYVNUMGLSA-N 1 3 362.474 0.023 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732404 1187519290 /nfs/dbraw/zinc/51/92/90/1187519290.db2.gz FTTDKZHUOJRINM-CEXWTWQISA-N 1 3 363.502 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001482056032 1187593430 /nfs/dbraw/zinc/59/34/30/1187593430.db2.gz UZXINOUDXLLLLJ-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCOCC2)CC[N@H+]1C ZINC001482056032 1187593435 /nfs/dbraw/zinc/59/34/35/1187593435.db2.gz UZXINOUDXLLLLJ-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001075800197 1189367052 /nfs/dbraw/zinc/36/70/52/1189367052.db2.gz RRZJFIMCFBBLIL-IPMKNSEASA-N 1 3 370.497 0.760 20 0 FCADHO C[NH+]1CCC(CC(=O)N2C[C@H]3CCN([C@H]4CCCNC4=O)C[C@H]3C2)CC1 ZINC001088130600 1190632565 /nfs/dbraw/zinc/63/25/65/1190632565.db2.gz WOHUJUTWPOHYER-SQNIBIBYSA-N 1 3 362.518 0.777 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281914 1190944043 /nfs/dbraw/zinc/94/40/43/1190944043.db2.gz DSQKAYCYKLABHY-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281914 1190944046 /nfs/dbraw/zinc/94/40/46/1190944046.db2.gz DSQKAYCYKLABHY-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO CC1C(NC(=O)C2C[NH+]3CCC2CC3)CCN1C(=O)CCc1c[nH]cn1 ZINC000988191007 1191157972 /nfs/dbraw/zinc/15/79/72/1191157972.db2.gz RYBULKZIRLKYBW-COXVUDFISA-N 1 3 359.474 0.790 20 0 FCADHO O=C(CCN1CC[NH2+]CC1)c1ccc2nc(O[C@H]3CNC[C@@H]3F)oc2c1 ZINC001218015648 1224135618 /nfs/dbraw/zinc/13/56/18/1224135618.db2.gz WNXPTJMRONZSIH-GUYCJALGSA-N 1 3 362.405 0.995 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305323 1224153023 /nfs/dbraw/zinc/15/30/23/1224153023.db2.gz CVTJOWVMOYJRLW-LLVKDONJSA-N 1 3 364.446 0.814 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C[C@@H]1CCc2ncnn21 ZINC001088703037 1193803153 /nfs/dbraw/zinc/80/31/53/1193803153.db2.gz YCDDIZXQNFHZRL-PMPSAXMXSA-N 1 3 358.490 0.973 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000550945796 1193821803 /nfs/dbraw/zinc/82/18/03/1193821803.db2.gz GVTQVGXBJCTZQV-KRWDZBQOSA-N 1 3 368.522 0.548 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000550945796 1193821804 /nfs/dbraw/zinc/82/18/04/1193821804.db2.gz GVTQVGXBJCTZQV-KRWDZBQOSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000550986093 1193824674 /nfs/dbraw/zinc/82/46/74/1193824674.db2.gz MYRIUOQFXPMHOT-GDBMZVCRSA-N 1 3 364.490 0.971 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551135276 1193834815 /nfs/dbraw/zinc/83/48/15/1193834815.db2.gz BZXPVMHTDWKZLK-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551135276 1193834817 /nfs/dbraw/zinc/83/48/17/1193834817.db2.gz BZXPVMHTDWKZLK-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658761 1193861483 /nfs/dbraw/zinc/86/14/83/1193861483.db2.gz JOBWOVDSKCUISD-VVWQDTPRSA-N 1 3 368.522 0.040 20 0 FCADHO CN1CCN(c2ncc(NC(=O)c3ccc([C@H]([NH3+])CN)cc3)cn2)CC1 ZINC001218579789 1224176461 /nfs/dbraw/zinc/17/64/61/1224176461.db2.gz LAGUBWWFEVPCSQ-MRXNPFEDSA-N 1 3 355.446 0.439 20 0 FCADHO Cc1[nH]nc2ncc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])cc12 ZINC001218615905 1224182518 /nfs/dbraw/zinc/18/25/18/1224182518.db2.gz UMYWAUUJORVLLY-GJZGRUSLSA-N 1 3 373.461 0.652 20 0 FCADHO CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)ccn2)c1 ZINC001218621792 1224183088 /nfs/dbraw/zinc/18/30/88/1224183088.db2.gz MRKZPCSNGMLJCC-INIZCTEOSA-N 1 3 372.429 0.709 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1noc2cnccc21 ZINC001218644769 1224187704 /nfs/dbraw/zinc/18/77/04/1224187704.db2.gz AYDNJYFIZJBIMF-STQMWFEESA-N 1 3 360.418 0.609 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000842226201 1194108211 /nfs/dbraw/zinc/10/82/11/1194108211.db2.gz GWJSHWXFAUDDLD-GOSISDBHSA-N 1 3 360.502 0.735 20 0 FCADHO CC(C)(C)N1CCN[C@@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)C1 ZINC001218696094 1224198506 /nfs/dbraw/zinc/19/85/06/1224198506.db2.gz MWMBSJHWTDALAD-MRXNPFEDSA-N 1 3 360.506 0.821 20 0 FCADHO CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001218735119 1224207121 /nfs/dbraw/zinc/20/71/21/1224207121.db2.gz OKIGKSQZEPMDGB-INIZCTEOSA-N 1 3 374.489 0.198 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnc2nccn2c1 ZINC001218783952 1224218984 /nfs/dbraw/zinc/21/89/84/1224218984.db2.gz HSGCIHNVWOJNAD-KBPBESRZSA-N 1 3 359.434 0.115 20 0 FCADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001076447171 1194501990 /nfs/dbraw/zinc/50/19/90/1194501990.db2.gz UQIVJGUTUJGINT-OKZBNKHCSA-N 1 3 360.502 0.530 20 0 FCADHO CC(C)N1CC[C@H](N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465772 1194509277 /nfs/dbraw/zinc/50/92/77/1194509277.db2.gz VAPXGTVUDBNVHD-YESZJQIVSA-N 1 3 360.502 0.624 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnn2c1OCCC2 ZINC001218794886 1224225289 /nfs/dbraw/zinc/22/52/89/1224225289.db2.gz VUVYPADGJADFOH-JSGCOSHPSA-N 1 3 364.450 0.051 20 0 FCADHO CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218798306 1224226292 /nfs/dbraw/zinc/22/62/92/1224226292.db2.gz OZCBOQKHZDSCLG-GFCCVEGCSA-N 1 3 356.430 0.586 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@H](O)COC(C)(C)C)C2 ZINC001276798473 1224250694 /nfs/dbraw/zinc/25/06/94/1224250694.db2.gz DKCHPUHECYLLIL-QFBILLFUSA-N 1 3 371.522 0.275 20 0 FCADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001077219176 1195328792 /nfs/dbraw/zinc/32/87/92/1195328792.db2.gz LFCGDTQYWVKADW-OPQOLIRYSA-N 1 3 365.518 0.839 20 0 FCADHO N[C@H](C(=O)Nc1ccccc1NC(=O)c1cnccn1)C1CC[NH2+]CC1 ZINC001219020823 1224295638 /nfs/dbraw/zinc/29/56/38/1224295638.db2.gz OEKNXVHXHSSEMW-INIZCTEOSA-N 1 3 354.414 0.994 20 0 FCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC000910576118 1195821730 /nfs/dbraw/zinc/82/17/30/1195821730.db2.gz VJGSPQVYAFIWJN-UHFFFAOYSA-N 1 3 367.538 0.023 20 0 FCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC000910576118 1195821731 /nfs/dbraw/zinc/82/17/31/1195821731.db2.gz VJGSPQVYAFIWJN-UHFFFAOYSA-N 1 3 367.538 0.023 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)[C@@H]2C1 ZINC000910838724 1195849280 /nfs/dbraw/zinc/84/92/80/1195849280.db2.gz YZHRXFPAYPGKPH-DOTOQJQBSA-N 1 3 371.485 0.719 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000910831952 1195851560 /nfs/dbraw/zinc/85/15/60/1195851560.db2.gz MAPXDAQUZUGLMV-AEFFLSMTSA-N 1 3 371.485 0.815 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCCO1 ZINC000910984095 1195873320 /nfs/dbraw/zinc/87/33/20/1195873320.db2.gz LCVVPVRPTASETO-BMGDILEWSA-N 1 3 374.485 0.344 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCCO1 ZINC000910984095 1195873323 /nfs/dbraw/zinc/87/33/23/1195873323.db2.gz LCVVPVRPTASETO-BMGDILEWSA-N 1 3 374.485 0.344 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029226 1195880224 /nfs/dbraw/zinc/88/02/24/1195880224.db2.gz LSXOLJJJNYPLTC-LBTBCDHLSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029226 1195880226 /nfs/dbraw/zinc/88/02/26/1195880226.db2.gz LSXOLJJJNYPLTC-LBTBCDHLSA-N 1 3 358.486 0.964 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)c1cccc(OC)c1 ZINC000911047913 1195883459 /nfs/dbraw/zinc/88/34/59/1195883459.db2.gz JPMPOXMDDVRPEM-MRXNPFEDSA-N 1 3 362.474 0.802 20 0 FCADHO NC(=O)c1cc(Oc2cccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)c2)ccn1 ZINC001219072298 1224337835 /nfs/dbraw/zinc/33/78/35/1224337835.db2.gz NEZZQUIDQCCVOK-OAHLLOKOSA-N 1 3 367.409 0.720 20 0 FCADHO CC1(C)CC(C[N@H+]2C[C@@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655070 1196349964 /nfs/dbraw/zinc/34/99/64/1196349964.db2.gz UCDXMVXSNADDPY-LXJOXGFSSA-N 1 3 363.502 0.447 20 0 FCADHO CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655070 1196349970 /nfs/dbraw/zinc/34/99/70/1196349970.db2.gz UCDXMVXSNADDPY-LXJOXGFSSA-N 1 3 363.502 0.447 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000992320868 1197067077 /nfs/dbraw/zinc/06/70/77/1197067077.db2.gz YJWJKRXOEKPQEC-ZXYWRSMDSA-N 1 3 368.497 0.866 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC[N@H+]1C ZINC000992320868 1197067081 /nfs/dbraw/zinc/06/70/81/1197067081.db2.gz YJWJKRXOEKPQEC-ZXYWRSMDSA-N 1 3 368.497 0.866 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106245594 1197779071 /nfs/dbraw/zinc/77/90/71/1197779071.db2.gz DLWFHMGXCBEHMV-ZIAGYGMSSA-N 1 3 363.462 0.782 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246589 1197779714 /nfs/dbraw/zinc/77/97/14/1197779714.db2.gz PIUICTWKMQUXHA-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106249696 1197783403 /nfs/dbraw/zinc/78/34/03/1197783403.db2.gz NZDIVJZOGXKPRJ-MRRJBJDNSA-N 1 3 363.462 0.637 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249780 1197785068 /nfs/dbraw/zinc/78/50/68/1197785068.db2.gz PMWBXOJGLJDDEQ-OIISXLGYSA-N 1 3 367.538 0.718 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106256022 1197795172 /nfs/dbraw/zinc/79/51/72/1197795172.db2.gz UPSOJXZUKBVLOG-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855486 1197893921 /nfs/dbraw/zinc/89/39/21/1197893921.db2.gz FKBSZSNNNJARLH-NSHGMRRFSA-N 1 3 359.470 0.603 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855486 1197893924 /nfs/dbraw/zinc/89/39/24/1197893924.db2.gz FKBSZSNNNJARLH-NSHGMRRFSA-N 1 3 359.470 0.603 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1)N(C)C ZINC000993164212 1197915688 /nfs/dbraw/zinc/91/56/88/1197915688.db2.gz VHFHVYPSSPCUTR-TXPKVOOTSA-N 1 3 362.518 0.729 20 0 FCADHO COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453555 1197933811 /nfs/dbraw/zinc/93/38/11/1197933811.db2.gz OADXQULTRSLSTL-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO COc1coc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001086090550 1198155747 /nfs/dbraw/zinc/15/57/47/1198155747.db2.gz FBIXWKWKOJVRNM-HGTKMLMNSA-N 1 3 363.458 0.973 20 0 FCADHO COc1coc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001086090550 1198155749 /nfs/dbraw/zinc/15/57/49/1198155749.db2.gz FBIXWKWKOJVRNM-HGTKMLMNSA-N 1 3 363.458 0.973 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)Cc1c[nH]cn1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498348 1224488140 /nfs/dbraw/zinc/48/81/40/1224488140.db2.gz WTMJCOMIAZWEOK-SGTLLEGYSA-N 1 3 370.413 0.110 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)Cc1cnc[nH]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498348 1224488143 /nfs/dbraw/zinc/48/81/43/1224488143.db2.gz WTMJCOMIAZWEOK-SGTLLEGYSA-N 1 3 370.413 0.110 20 0 FCADHO CN1CCC(NC(=O)c2ccc(-n3cc4c(n3)CC[C@H]([NH3+])C4)nn2)CC1 ZINC001168814998 1199036191 /nfs/dbraw/zinc/03/61/91/1199036191.db2.gz DNWXDNYNWDNFSZ-ZDUSSCGKSA-N 1 3 355.446 0.302 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+]1CCCCC1 ZINC000766880135 1199100584 /nfs/dbraw/zinc/10/05/84/1199100584.db2.gz JXMNGBMJKHBQGI-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cc1=O ZINC001109977653 1200659491 /nfs/dbraw/zinc/65/94/91/1200659491.db2.gz SWQRUBLAUTXMCC-IKGGRYGDSA-N 1 3 362.474 0.185 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111451 1200863680 /nfs/dbraw/zinc/86/36/80/1200863680.db2.gz YQAGRNLAMGKLTF-SJORKVTESA-N 1 3 366.506 0.347 20 0 FCADHO COc1cccc([C@H](N)CC(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838752 1224647312 /nfs/dbraw/zinc/64/73/12/1224647312.db2.gz UFKGHHGJSOSENZ-BJZITVGISA-N 1 3 363.458 0.596 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793703922 1201259300 /nfs/dbraw/zinc/25/93/00/1201259300.db2.gz ZVQUEWKABPFMMZ-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894771 1201428436 /nfs/dbraw/zinc/42/84/36/1201428436.db2.gz RXKKIPNUCLSKMB-BBWFWOEESA-N 1 3 364.494 0.529 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012037 1201471051 /nfs/dbraw/zinc/47/10/51/1201471051.db2.gz LBHSTKATFWWYQZ-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001130009576 1201477680 /nfs/dbraw/zinc/47/76/80/1201477680.db2.gz WNFONWOSIYWIJU-IKGGRYGDSA-N 1 3 366.510 0.775 20 0 FCADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1)C(C)C ZINC001130045815 1201486046 /nfs/dbraw/zinc/48/60/46/1201486046.db2.gz BPXOANAPZRHZEV-IXDOHACOSA-N 1 3 366.510 0.632 20 0 FCADHO COCCN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001130067110 1201490737 /nfs/dbraw/zinc/49/07/37/1201490737.db2.gz UVGHUCRMYSHWSK-SJORKVTESA-N 1 3 364.494 0.386 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2ccnc2C)n1 ZINC001130249015 1201568547 /nfs/dbraw/zinc/56/85/47/1201568547.db2.gz FTPYKOCPPOHFSJ-KBPBESRZSA-N 1 3 361.450 0.498 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ccnc2C)[nH]1 ZINC001130249015 1201568552 /nfs/dbraw/zinc/56/85/52/1201568552.db2.gz FTPYKOCPPOHFSJ-KBPBESRZSA-N 1 3 361.450 0.498 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130590132 1202725935 /nfs/dbraw/zinc/72/59/35/1202725935.db2.gz ARQGLMIISHRVFH-CGTJXYLNSA-N 1 3 363.506 0.559 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCc2cncn2C)c1 ZINC001130669271 1202751080 /nfs/dbraw/zinc/75/10/80/1202751080.db2.gz DDZBBEPRYWCDPL-DOTOQJQBSA-N 1 3 359.478 0.190 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130736783 1202769515 /nfs/dbraw/zinc/76/95/15/1202769515.db2.gz OCYUNYSAJMCDFI-SOLBZPMBSA-N 1 3 363.506 0.681 20 0 FCADHO CN(CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)CC(C)(C)C ZINC001131073533 1202855836 /nfs/dbraw/zinc/85/58/36/1202855836.db2.gz GETWRHDTNKZWLG-HZPDHXFCSA-N 1 3 365.522 0.664 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070512 1202856625 /nfs/dbraw/zinc/85/66/25/1202856625.db2.gz ZDQPRAUHNBLEIE-BRWVUGGUSA-N 1 3 363.506 0.825 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001131549859 1202914534 /nfs/dbraw/zinc/91/45/34/1202914534.db2.gz CAVLDXXYYJMPNA-WBVHZDCISA-N 1 3 366.506 0.060 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131604669 1202918403 /nfs/dbraw/zinc/91/84/03/1202918403.db2.gz AZPYJWGHJAJLBN-JZXOWHBKSA-N 1 3 366.506 0.060 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131604669 1202918407 /nfs/dbraw/zinc/91/84/07/1202918407.db2.gz AZPYJWGHJAJLBN-JZXOWHBKSA-N 1 3 366.506 0.060 20 0 FCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604727 1202918593 /nfs/dbraw/zinc/91/85/93/1202918593.db2.gz DMSSWLWOMMLBPO-LESCRADOSA-N 1 3 366.506 0.202 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086712025 1202995564 /nfs/dbraw/zinc/99/55/64/1202995564.db2.gz MDJJISBBILIZDT-GVDBMIGSSA-N 1 3 365.522 0.761 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000817926204 1203126535 /nfs/dbraw/zinc/12/65/35/1203126535.db2.gz ADWPPJAUKUTMPI-SFHVURJKSA-N 1 3 360.502 0.817 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2[NH2+]CCO)cc1 ZINC001090875042 1203325259 /nfs/dbraw/zinc/32/52/59/1203325259.db2.gz ZYCSJPJFAVZUEX-OTWHNJEPSA-N 1 3 361.486 0.912 20 0 FCADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149918 1224790408 /nfs/dbraw/zinc/79/04/08/1224790408.db2.gz HZJOOYUWLLTAOJ-HACGYAERSA-N 1 3 371.485 0.786 20 0 FCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NCc1ncn2c1CNCCC2 ZINC001220313063 1224825980 /nfs/dbraw/zinc/82/59/80/1224825980.db2.gz JPWHJOGCPVWCFS-YJBOKZPZSA-N 1 3 357.458 0.314 20 0 FCADHO O=C(NCc1ncn2c1CNCCC2)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001220312861 1224826259 /nfs/dbraw/zinc/82/62/59/1224826259.db2.gz HNWKTWONVIRJCY-UHFFFAOYSA-N 1 3 368.485 0.712 20 0 FCADHO N[C@]1(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)CCC[NH2+]C1 ZINC001220358588 1224842213 /nfs/dbraw/zinc/84/22/13/1224842213.db2.gz VEANHVNHNJNZFJ-FUHIMQAGSA-N 1 3 374.485 0.643 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372575 1224846244 /nfs/dbraw/zinc/84/62/44/1224846244.db2.gz CTZKNZGNGZWTPQ-MOPGFXCFSA-N 1 3 363.502 0.747 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372575 1224846246 /nfs/dbraw/zinc/84/62/46/1224846246.db2.gz CTZKNZGNGZWTPQ-MOPGFXCFSA-N 1 3 363.502 0.747 20 0 FCADHO CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734914 1204836328 /nfs/dbraw/zinc/83/63/28/1204836328.db2.gz ALAVANGJCKJIGJ-GJYPPUQNSA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)C1=O ZINC001091734914 1204836329 /nfs/dbraw/zinc/83/63/29/1204836329.db2.gz ALAVANGJCKJIGJ-GJYPPUQNSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735776 1204836937 /nfs/dbraw/zinc/83/69/37/1204836937.db2.gz XIRYGAAWWJGYQF-LBTNJELSSA-N 1 3 362.474 0.056 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735776 1204836938 /nfs/dbraw/zinc/83/69/38/1204836938.db2.gz XIRYGAAWWJGYQF-LBTNJELSSA-N 1 3 362.474 0.056 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737690 1204837725 /nfs/dbraw/zinc/83/77/25/1204837725.db2.gz HNFSYBBKIKKELV-POAQFYNOSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737690 1204837726 /nfs/dbraw/zinc/83/77/26/1204837726.db2.gz HNFSYBBKIKKELV-POAQFYNOSA-N 1 3 362.518 0.729 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087080799 1204992915 /nfs/dbraw/zinc/99/29/15/1204992915.db2.gz GKOSPTYNVJEIJW-KBAYOESNSA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(C)ncn1 ZINC001087100973 1204996984 /nfs/dbraw/zinc/99/69/84/1204996984.db2.gz NJBPRUMPMAGQFD-JFIYKMOQSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(C)ncn1 ZINC001087100973 1204996991 /nfs/dbraw/zinc/99/69/91/1204996991.db2.gz NJBPRUMPMAGQFD-JFIYKMOQSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccn1CC ZINC001087100489 1204998066 /nfs/dbraw/zinc/99/80/66/1204998066.db2.gz VPEUAWQSFHVJRB-BRWVUGGUSA-N 1 3 363.506 0.808 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccn1CC ZINC001087100489 1204998083 /nfs/dbraw/zinc/99/80/83/1204998083.db2.gz VPEUAWQSFHVJRB-BRWVUGGUSA-N 1 3 363.506 0.808 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1)N1CCCC1 ZINC001091909926 1205068741 /nfs/dbraw/zinc/06/87/41/1205068741.db2.gz DOBHLFZVLOOOPG-QINHECLXSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1)N1CCCC1 ZINC001091909926 1205068743 /nfs/dbraw/zinc/06/87/43/1205068743.db2.gz DOBHLFZVLOOOPG-QINHECLXSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012988 1205113582 /nfs/dbraw/zinc/11/35/82/1205113582.db2.gz FYGBFRLLYJQMHU-MDZRGWNJSA-N 1 3 363.506 0.134 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012988 1205113585 /nfs/dbraw/zinc/11/35/85/1205113585.db2.gz FYGBFRLLYJQMHU-MDZRGWNJSA-N 1 3 363.506 0.134 20 0 FCADHO C[NH+](C)[C@](C)(C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001092190912 1205188570 /nfs/dbraw/zinc/18/85/70/1205188570.db2.gz ZSUHARXCHIRQME-UXPWSPDFSA-N 1 3 358.486 0.729 20 0 FCADHO COc1ccccc1C1(CNC(=O)[C@H]2C[NH2+]CC23CNC3)CCOCC1 ZINC001220445888 1224875061 /nfs/dbraw/zinc/87/50/61/1224875061.db2.gz XYGDFKIJMPAIEP-MRXNPFEDSA-N 1 3 359.470 0.669 20 0 FCADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3CNCCN3)cc2)CC1 ZINC001220515503 1224899184 /nfs/dbraw/zinc/89/91/84/1224899184.db2.gz DOFYIVNEPABZGX-VXTDNTOSSA-N 1 3 359.474 0.271 20 0 FCADHO [NH3+]CCNCC(=O)NC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220535975 1224912727 /nfs/dbraw/zinc/91/27/27/1224912727.db2.gz QXKLJBWRXTWODV-HXUWFJFHSA-N 1 3 370.497 0.714 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093826047 1206123795 /nfs/dbraw/zinc/12/37/95/1206123795.db2.gz ZMZKMAYJENFMMK-BFYDXBDKSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094043957 1206175263 /nfs/dbraw/zinc/17/52/63/1206175263.db2.gz FMLVPHLPGXKYDV-KFWWJZLASA-N 1 3 364.490 0.208 20 0 FCADHO COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)n1 ZINC001094074550 1206179928 /nfs/dbraw/zinc/17/99/28/1206179928.db2.gz ITHPDRCOMJOIIX-IUODEOHRSA-N 1 3 358.446 0.944 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CNCc1nccn1C ZINC001094137602 1206191205 /nfs/dbraw/zinc/19/12/05/1206191205.db2.gz RMQIPCHIRKMSGB-HZPDHXFCSA-N 1 3 363.506 0.715 20 0 FCADHO Cn1nnc2c1CCN(C(=O)Cc1c[nH]cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001176829373 1206321927 /nfs/dbraw/zinc/32/19/27/1206321927.db2.gz PWQYZWNPULSMIS-INIZCTEOSA-N 1 3 373.461 0.319 20 0 FCADHO C[C@H]1C[C@@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001178565268 1206360160 /nfs/dbraw/zinc/36/01/60/1206360160.db2.gz VYOVNFHYRAWDDS-AAQOISQYSA-N 1 3 371.522 0.938 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000774886845 1206481593 /nfs/dbraw/zinc/48/15/93/1206481593.db2.gz BEKDRLNEHGRTNV-JKSUJKDBSA-N 1 3 366.506 0.347 20 0 FCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783690 1206485541 /nfs/dbraw/zinc/48/55/41/1206485541.db2.gz BXAYGFJMVMYCNR-KURKYZTESA-N 1 3 358.486 0.658 20 0 FCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783690 1206485542 /nfs/dbraw/zinc/48/55/42/1206485542.db2.gz BXAYGFJMVMYCNR-KURKYZTESA-N 1 3 358.486 0.658 20 0 FCADHO CN(C1CN(C(=O)c2ccccc2N2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001186898364 1206509055 /nfs/dbraw/zinc/50/90/55/1206509055.db2.gz QGQSXJRQQHKFDS-INIZCTEOSA-N 1 3 358.486 0.984 20 0 FCADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001189732013 1207594967 /nfs/dbraw/zinc/59/49/67/1207594967.db2.gz CRXBKBDEGRMRNX-RBUKOAKNSA-N 1 3 365.518 0.650 20 0 FCADHO CN(CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290373 1207935635 /nfs/dbraw/zinc/93/56/35/1207935635.db2.gz UETFFMNHQPPUAB-RCCFBDPRSA-N 1 3 362.474 0.638 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O ZINC001197826428 1208201852 /nfs/dbraw/zinc/20/18/52/1208201852.db2.gz WXKOTDFYJPOHRH-QZTJIDSGSA-N 1 3 371.522 0.323 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001198038519 1208216378 /nfs/dbraw/zinc/21/63/78/1208216378.db2.gz USEPCCXZISNTPS-IAGOWNOFSA-N 1 3 366.510 0.342 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001198038519 1208216382 /nfs/dbraw/zinc/21/63/82/1208216382.db2.gz USEPCCXZISNTPS-IAGOWNOFSA-N 1 3 366.510 0.342 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001488827328 1208552410 /nfs/dbraw/zinc/55/24/10/1208552410.db2.gz CFEULODTGWRKTP-FDYHWXHSSA-N 1 3 366.491 0.301 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001488827328 1208552416 /nfs/dbraw/zinc/55/24/16/1208552416.db2.gz CFEULODTGWRKTP-FDYHWXHSSA-N 1 3 366.491 0.301 20 0 FCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001489050776 1208621697 /nfs/dbraw/zinc/62/16/97/1208621697.db2.gz PMQCUGRKIGCSNF-ZBFHGGJFSA-N 1 3 364.494 0.021 20 0 FCADHO C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](CNCC(N)=O)C1 ZINC001489051809 1208621773 /nfs/dbraw/zinc/62/17/73/1208621773.db2.gz DEWXXAJGZHUDMQ-PBHICJAKSA-N 1 3 350.507 0.810 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001489206087 1208669982 /nfs/dbraw/zinc/66/99/82/1208669982.db2.gz KVDGVHFTXPEFHQ-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001489206087 1208669986 /nfs/dbraw/zinc/66/99/86/1208669986.db2.gz KVDGVHFTXPEFHQ-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1O ZINC001489625835 1209057576 /nfs/dbraw/zinc/05/75/76/1209057576.db2.gz KIQHOPFUPKGGEE-CVEARBPZSA-N 1 3 368.522 0.281 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1O ZINC001489625835 1209057578 /nfs/dbraw/zinc/05/75/78/1209057578.db2.gz KIQHOPFUPKGGEE-CVEARBPZSA-N 1 3 368.522 0.281 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001489662984 1209077621 /nfs/dbraw/zinc/07/76/21/1209077621.db2.gz HWPOUIDFFFLAHG-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001489662984 1209077624 /nfs/dbraw/zinc/07/76/24/1209077624.db2.gz HWPOUIDFFFLAHG-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862330 1225113149 /nfs/dbraw/zinc/11/31/49/1225113149.db2.gz XLRCNPDTALEOIY-HRCADAONSA-N 1 3 370.494 0.093 20 0 FCADHO C[NH+](C)CCN1CCC2(CCN(C[C@H](O)C(=O)OC(C)(C)C)CC2)C1=O ZINC001276817265 1225140156 /nfs/dbraw/zinc/14/01/56/1225140156.db2.gz FJLZQDILZOOYSZ-HNNXBMFYSA-N 1 3 369.506 0.565 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220970999 1225166122 /nfs/dbraw/zinc/16/61/22/1225166122.db2.gz ORKZDKQCUMKCMH-JKSUJKDBSA-N 1 3 362.449 0.570 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000868303574 1210050732 /nfs/dbraw/zinc/05/07/32/1210050732.db2.gz GSXPRDIREIOHLE-GASCZTMLSA-N 1 3 359.474 0.621 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000868304315 1210050777 /nfs/dbraw/zinc/05/07/77/1210050777.db2.gz GSXPRDIREIOHLE-SHTZXODSSA-N 1 3 359.474 0.621 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884414608 1210733949 /nfs/dbraw/zinc/73/39/49/1210733949.db2.gz WVKSPAUSZLGCEB-KRWDZBQOSA-N 1 3 359.474 0.474 20 0 FCADHO CCN(C(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884509561 1210741979 /nfs/dbraw/zinc/74/19/79/1210741979.db2.gz JNPOLWHWLJVLQI-QAPCUYQASA-N 1 3 373.501 0.934 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)Cc2ccccc2C1 ZINC000884566399 1210752863 /nfs/dbraw/zinc/75/28/63/1210752863.db2.gz IZFDSAHJQAEUMS-QZTJIDSGSA-N 1 3 370.497 0.555 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000884576547 1210754397 /nfs/dbraw/zinc/75/43/97/1210754397.db2.gz KCSCXTIOFPMURW-MRXNPFEDSA-N 1 3 366.506 0.109 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884576426 1210754729 /nfs/dbraw/zinc/75/47/29/1210754729.db2.gz HIIAFXOLAFHVBK-SJLPKXTDSA-N 1 3 360.502 0.911 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000884576546 1210754954 /nfs/dbraw/zinc/75/49/54/1210754954.db2.gz KCSCXTIOFPMURW-INIZCTEOSA-N 1 3 366.506 0.109 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577152 1210755578 /nfs/dbraw/zinc/75/55/78/1210755578.db2.gz YPFZELMUCIIFAZ-HZPDHXFCSA-N 1 3 366.506 0.109 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884576920 1210755931 /nfs/dbraw/zinc/75/59/31/1210755931.db2.gz TUFQNBHVIRSFCP-QAPCUYQASA-N 1 3 358.486 0.665 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884576920 1210755939 /nfs/dbraw/zinc/75/59/39/1210755939.db2.gz TUFQNBHVIRSFCP-QAPCUYQASA-N 1 3 358.486 0.665 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884618175 1210763681 /nfs/dbraw/zinc/76/36/81/1210763681.db2.gz YCNUSNRCJJCXPF-QGZVFWFLSA-N 1 3 358.486 0.939 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616982 1210763800 /nfs/dbraw/zinc/76/38/00/1210763800.db2.gz FULRSSNUCJSOGK-CVEARBPZSA-N 1 3 366.506 0.252 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631629 1210768203 /nfs/dbraw/zinc/76/82/03/1210768203.db2.gz QOIZAUDDAOCCEP-ZWKOTPCHSA-N 1 3 356.470 0.418 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631629 1210768213 /nfs/dbraw/zinc/76/82/13/1210768213.db2.gz QOIZAUDDAOCCEP-ZWKOTPCHSA-N 1 3 356.470 0.418 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885152562 1210812930 /nfs/dbraw/zinc/81/29/30/1210812930.db2.gz QYIVMXMVWZFSNF-IAGOWNOFSA-N 1 3 358.486 0.806 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885152562 1210812933 /nfs/dbraw/zinc/81/29/33/1210812933.db2.gz QYIVMXMVWZFSNF-IAGOWNOFSA-N 1 3 358.486 0.806 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000885156029 1210813621 /nfs/dbraw/zinc/81/36/21/1210813621.db2.gz JHMZDWSHNCUABA-OALUTQOASA-N 1 3 370.497 0.904 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000885162334 1210814052 /nfs/dbraw/zinc/81/40/52/1210814052.db2.gz KZYXRKOWQFMLGA-MSOLQXFVSA-N 1 3 356.470 0.514 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691713674 1210841164 /nfs/dbraw/zinc/84/11/64/1210841164.db2.gz YPFAISKJRYCBFB-HYVNUMGLSA-N 1 3 351.495 0.679 20 0 FCADHO CCN(C(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000887070837 1210845638 /nfs/dbraw/zinc/84/56/38/1210845638.db2.gz UNKZUSRAWBFGQR-INIZCTEOSA-N 1 3 366.506 0.300 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000889909619 1210956834 /nfs/dbraw/zinc/95/68/34/1210956834.db2.gz BXAAHKHSTTZHMC-QGZVFWFLSA-N 1 3 359.474 0.587 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000889909619 1210956836 /nfs/dbraw/zinc/95/68/36/1210956836.db2.gz BXAAHKHSTTZHMC-QGZVFWFLSA-N 1 3 359.474 0.587 20 0 FCADHO COc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1OC ZINC000890149939 1210970151 /nfs/dbraw/zinc/97/01/51/1210970151.db2.gz NGDYXHJUYQWNPY-UHFFFAOYSA-N 1 3 366.462 0.594 20 0 FCADHO CCN1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)CC1 ZINC001274371529 1211039728 /nfs/dbraw/zinc/03/97/28/1211039728.db2.gz ZOENLLOZMRSCMY-FQEVSTJZSA-N 1 3 365.566 0.500 20 0 FCADHO CCN1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)CC1 ZINC001274371529 1211039731 /nfs/dbraw/zinc/03/97/31/1211039731.db2.gz ZOENLLOZMRSCMY-FQEVSTJZSA-N 1 3 365.566 0.500 20 0 FCADHO CCN1CCN(CC(=O)N2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001274371529 1211039735 /nfs/dbraw/zinc/03/97/35/1211039735.db2.gz ZOENLLOZMRSCMY-FQEVSTJZSA-N 1 3 365.566 0.500 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(Cc1ccc(CO)cc1)C2 ZINC001275177333 1211190274 /nfs/dbraw/zinc/19/02/74/1211190274.db2.gz PBEQFZUUSIJUFE-HXUWFJFHSA-N 1 3 361.486 0.791 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC2(C)COC2)CC1 ZINC001275790552 1211283780 /nfs/dbraw/zinc/28/37/80/1211283780.db2.gz NUDWIDHJBBICLF-QZTJIDSGSA-N 1 3 364.534 0.726 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC2(C)COC2)CC1 ZINC001275790552 1211283783 /nfs/dbraw/zinc/28/37/83/1211283783.db2.gz NUDWIDHJBBICLF-QZTJIDSGSA-N 1 3 364.534 0.726 20 0 FCADHO COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CCC[N@H+](C)C1 ZINC001275877955 1211303629 /nfs/dbraw/zinc/30/36/29/1211303629.db2.gz IKCHZMOVZPIKTH-YLFCFFPRSA-N 1 3 367.490 0.582 20 0 FCADHO COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001275877955 1211303630 /nfs/dbraw/zinc/30/36/30/1211303630.db2.gz IKCHZMOVZPIKTH-YLFCFFPRSA-N 1 3 367.490 0.582 20 0 FCADHO COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001275877953 1211304003 /nfs/dbraw/zinc/30/40/03/1211304003.db2.gz IKCHZMOVZPIKTH-QBPKDAKJSA-N 1 3 367.490 0.582 20 0 FCADHO COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275877953 1211304006 /nfs/dbraw/zinc/30/40/06/1211304006.db2.gz IKCHZMOVZPIKTH-QBPKDAKJSA-N 1 3 367.490 0.582 20 0 FCADHO CC(C)[C@H](C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)N(C)C ZINC001276048453 1211339363 /nfs/dbraw/zinc/33/93/63/1211339363.db2.gz CXJNIHJCEUVJAG-DLBZAZTESA-N 1 3 364.534 0.974 20 0 FCADHO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001221337643 1225299781 /nfs/dbraw/zinc/29/97/81/1225299781.db2.gz PYUFLUIHDQWCRR-KKUMJFAQSA-N 1 3 372.510 0.287 20 0 FCADHO CN1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001221404899 1225307108 /nfs/dbraw/zinc/30/71/08/1225307108.db2.gz MEFOWNUBOBYXCL-OXJNMPFZSA-N 1 3 358.486 0.285 20 0 FCADHO CN(C)[C@@H](CNC(=O)CN1CCC(O)(C[NH+](C)C)CC1)c1ccccc1 ZINC000931483211 1211757618 /nfs/dbraw/zinc/75/76/18/1211757618.db2.gz YKBFHMNCAAMMNC-SFHVURJKSA-N 1 3 362.518 0.794 20 0 FCADHO NCc1nnc(-c2ccc(NC(=O)C3(n4cccn4)CC[NH2+]CC3)cc2)[nH]1 ZINC000572723503 1211927651 /nfs/dbraw/zinc/92/76/51/1211927651.db2.gz MTIIFOBFFYXGOG-UHFFFAOYSA-N 1 3 366.429 0.844 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001111281114 1212232450 /nfs/dbraw/zinc/23/24/50/1212232450.db2.gz GUQJRJLZMASWPA-TVFCKZIOSA-N 1 3 363.502 0.999 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001221793288 1225482786 /nfs/dbraw/zinc/48/27/86/1225482786.db2.gz ZMCRNMCBZVPOFH-JFIYKMOQSA-N 1 3 365.474 0.642 20 0 FCADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276825591 1225502543 /nfs/dbraw/zinc/50/25/43/1225502543.db2.gz VTVKEDWGBFDPDL-GUDVDZBRSA-N 1 3 366.550 0.706 20 0 FCADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276825591 1225502547 /nfs/dbraw/zinc/50/25/47/1225502547.db2.gz VTVKEDWGBFDPDL-GUDVDZBRSA-N 1 3 366.550 0.706 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CC[C@H](C)C2)C3)CC[N@@H+]1C ZINC001019070151 1214190486 /nfs/dbraw/zinc/19/04/86/1214190486.db2.gz ATAYIKUEBBJQIS-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CC[C@H](C)C2)C3)CC[N@H+]1C ZINC001019070151 1214190492 /nfs/dbraw/zinc/19/04/92/1214190492.db2.gz ATAYIKUEBBJQIS-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001039787816 1214433490 /nfs/dbraw/zinc/43/34/90/1214433490.db2.gz QJLJRQSLRYYHMS-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001039787816 1214433493 /nfs/dbraw/zinc/43/34/93/1214433493.db2.gz QJLJRQSLRYYHMS-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039867297 1214451763 /nfs/dbraw/zinc/45/17/63/1214451763.db2.gz GOSPVLUYXYKXQU-SPYBWZPUSA-N 1 3 368.522 0.137 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039867297 1214451764 /nfs/dbraw/zinc/45/17/64/1214451764.db2.gz GOSPVLUYXYKXQU-SPYBWZPUSA-N 1 3 368.522 0.137 20 0 FCADHO CCN(CC)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055957079 1215926664 /nfs/dbraw/zinc/92/66/64/1215926664.db2.gz YGHWPJLJCJCLOX-GPMSIDNRSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055957079 1215926670 /nfs/dbraw/zinc/92/66/70/1215926670.db2.gz YGHWPJLJCJCLOX-GPMSIDNRSA-N 1 3 368.522 0.138 20 0 FCADHO CN1CCN(c2ccc(CN3CC[NH2+]C[C@]4(CCCCN4)C3)cn2)CC1 ZINC001222684140 1225646189 /nfs/dbraw/zinc/64/61/89/1225646189.db2.gz CODMYJRNPJQAEE-HXUWFJFHSA-N 1 3 358.534 0.751 20 0 FCADHO CN1CCN(c2ccc(CN3CCNC[C@]4(CCCC[NH2+]4)C3)cn2)CC1 ZINC001222684140 1225646193 /nfs/dbraw/zinc/64/61/93/1225646193.db2.gz CODMYJRNPJQAEE-HXUWFJFHSA-N 1 3 358.534 0.751 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNCc3nnnn3C)CC2)CC[N@@H+]1C ZINC001050328916 1216308605 /nfs/dbraw/zinc/30/86/05/1216308605.db2.gz OWPYWNCDVLBDRQ-YHUYYLMFSA-N 1 3 363.510 0.705 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNCc3nnnn3C)CC2)CC[N@H+]1C ZINC001050328916 1216308614 /nfs/dbraw/zinc/30/86/14/1216308614.db2.gz OWPYWNCDVLBDRQ-YHUYYLMFSA-N 1 3 363.510 0.705 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)(C)CO)CC1 ZINC001276958256 1225767120 /nfs/dbraw/zinc/76/71/20/1225767120.db2.gz GBGQIHZHFRWAAM-QZTJIDSGSA-N 1 3 366.550 0.708 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC(C)(C)CO)CC1 ZINC001276958256 1225767128 /nfs/dbraw/zinc/76/71/28/1225767128.db2.gz GBGQIHZHFRWAAM-QZTJIDSGSA-N 1 3 366.550 0.708 20 0 FCADHO C[C@H](CO)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276974054 1225780561 /nfs/dbraw/zinc/78/05/61/1225780561.db2.gz LZGCHTRCLKPMKS-ROUUACIJSA-N 1 3 366.550 0.471 20 0 FCADHO CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000903731642 1218509984 /nfs/dbraw/zinc/50/99/84/1218509984.db2.gz IUOHEZKGVLXXEP-INIZCTEOSA-N 1 3 373.501 0.497 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CC1 ZINC001097092372 1218686686 /nfs/dbraw/zinc/68/66/86/1218686686.db2.gz LATABYDZNAZUAW-QQXKLLMISA-N 1 3 365.518 0.837 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001226613429 1225848960 /nfs/dbraw/zinc/84/89/60/1225848960.db2.gz HOISGQLJPNGNPF-RBSFLKMASA-N 1 3 367.494 0.333 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC001226767107 1225854245 /nfs/dbraw/zinc/85/42/45/1225854245.db2.gz QJUNQGGLNIMONW-BRWVUGGUSA-N 1 3 363.506 0.745 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000826882996 1218909932 /nfs/dbraw/zinc/90/99/32/1218909932.db2.gz QSCQGLHKBRKOLL-DLBZAZTESA-N 1 3 366.506 0.347 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226890807 1225857000 /nfs/dbraw/zinc/85/70/00/1225857000.db2.gz OSXALJDPHVGYAJ-RRFJBIMHSA-N 1 3 367.494 0.333 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226890807 1225857002 /nfs/dbraw/zinc/85/70/02/1225857002.db2.gz OSXALJDPHVGYAJ-RRFJBIMHSA-N 1 3 367.494 0.333 20 0 FCADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804051646 1219105061 /nfs/dbraw/zinc/10/50/61/1219105061.db2.gz APOIPSXKILVEOZ-HZPDHXFCSA-N 1 3 364.490 0.053 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1C ZINC000804057587 1219111036 /nfs/dbraw/zinc/11/10/36/1219111036.db2.gz AZRMTDACWDJKNX-LUKYLMHMSA-N 1 3 366.506 0.297 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1C ZINC000804057587 1219111038 /nfs/dbraw/zinc/11/10/38/1219111038.db2.gz AZRMTDACWDJKNX-LUKYLMHMSA-N 1 3 366.506 0.297 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000804058931 1219112496 /nfs/dbraw/zinc/11/24/96/1219112496.db2.gz GYWYMNXUQWIJDH-BRWVUGGUSA-N 1 3 366.506 0.347 20 0 FCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059495 1219115433 /nfs/dbraw/zinc/11/54/33/1219115433.db2.gz IUNNTWTYGONNEJ-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059495 1219115438 /nfs/dbraw/zinc/11/54/38/1219115438.db2.gz IUNNTWTYGONNEJ-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070095137 1219165508 /nfs/dbraw/zinc/16/55/08/1219165508.db2.gz XLRCMFQATHEROK-ZACQAIPSSA-N 1 3 362.478 0.285 20 0 FCADHO COc1ccnc(CN2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277261522 1225893800 /nfs/dbraw/zinc/89/38/00/1225893800.db2.gz XQTYVIPTVANDOM-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070718642 1219541056 /nfs/dbraw/zinc/54/10/56/1219541056.db2.gz DEBCGPYDAOOKGQ-QZTJIDSGSA-N 1 3 368.485 0.995 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3cc4c[nH]ccc-4n3)C2)OCC1=O ZINC001277283471 1225906303 /nfs/dbraw/zinc/90/63/03/1225906303.db2.gz QTDGBAHNJJFRQM-IBGZPJMESA-N 1 3 357.458 0.928 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001071063225 1219598154 /nfs/dbraw/zinc/59/81/54/1219598154.db2.gz LBCLVEJOJYYTMI-MDZRGWNJSA-N 1 3 366.506 0.332 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001071063225 1219598157 /nfs/dbraw/zinc/59/81/57/1219598157.db2.gz LBCLVEJOJYYTMI-MDZRGWNJSA-N 1 3 366.506 0.332 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785692 1219681597 /nfs/dbraw/zinc/68/15/97/1219681597.db2.gz PLWQZEJHTWNPEO-QRVBRYPASA-N 1 3 361.486 0.531 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)[C@@H](c2ccccc2)C1 ZINC001073785692 1219681600 /nfs/dbraw/zinc/68/16/00/1219681600.db2.gz PLWQZEJHTWNPEO-QRVBRYPASA-N 1 3 361.486 0.531 20 0 FCADHO CCCN(C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074656386 1219711425 /nfs/dbraw/zinc/71/14/25/1219711425.db2.gz JPEVOQFGLRJZFO-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074656386 1219711429 /nfs/dbraw/zinc/71/14/29/1219711429.db2.gz JPEVOQFGLRJZFO-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001099504820 1220016165 /nfs/dbraw/zinc/01/61/65/1220016165.db2.gz BBBYHFPFAWVQMF-GMBSWORKSA-N 1 3 369.473 0.950 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268567 1220257378 /nfs/dbraw/zinc/25/73/78/1220257378.db2.gz IVLPMPSCPAFVNK-UZLBHIALSA-N 1 3 362.518 0.777 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CCC1 ZINC001101268567 1220257382 /nfs/dbraw/zinc/25/73/82/1220257382.db2.gz IVLPMPSCPAFVNK-UZLBHIALSA-N 1 3 362.518 0.777 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476120 1220366287 /nfs/dbraw/zinc/36/62/87/1220366287.db2.gz CTBRDUUNEZJJGK-AOIWGVFYSA-N 1 3 363.506 0.365 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476120 1220366290 /nfs/dbraw/zinc/36/62/90/1220366290.db2.gz CTBRDUUNEZJJGK-AOIWGVFYSA-N 1 3 363.506 0.365 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102101298 1220495611 /nfs/dbraw/zinc/49/56/11/1220495611.db2.gz WSQZJKKELYBSCD-ZACQAIPSSA-N 1 3 365.522 0.658 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102101298 1220495615 /nfs/dbraw/zinc/49/56/15/1220495615.db2.gz WSQZJKKELYBSCD-ZACQAIPSSA-N 1 3 365.522 0.658 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185530 1220541612 /nfs/dbraw/zinc/54/16/12/1220541612.db2.gz GVNHEIDAUFDFMB-SUMDDJOVSA-N 1 3 362.518 0.777 20 0 FCADHO CCOCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320643 1220582442 /nfs/dbraw/zinc/58/24/42/1220582442.db2.gz MTFPKHIVXHTGIF-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370156 1220596240 /nfs/dbraw/zinc/59/62/40/1220596240.db2.gz SLAPFRQWLCUPAY-JFIYKMOQSA-N 1 3 368.522 0.165 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370156 1220596245 /nfs/dbraw/zinc/59/62/45/1220596245.db2.gz SLAPFRQWLCUPAY-JFIYKMOQSA-N 1 3 368.522 0.165 20 0 FCADHO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601034 1220722684 /nfs/dbraw/zinc/72/26/84/1220722684.db2.gz HKDQRNCFEFNSQS-BRWVUGGUSA-N 1 3 370.538 0.552 20 0 FCADHO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601034 1220722686 /nfs/dbraw/zinc/72/26/86/1220722686.db2.gz HKDQRNCFEFNSQS-BRWVUGGUSA-N 1 3 370.538 0.552 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCCOC ZINC001229212896 1225989943 /nfs/dbraw/zinc/98/99/43/1225989943.db2.gz DUWQFZLWWORSDD-BRWVUGGUSA-N 1 3 370.538 0.886 20 0 FCADHO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102783178 1220781337 /nfs/dbraw/zinc/78/13/37/1220781337.db2.gz YGQWNHWXADKZTP-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102783178 1220781341 /nfs/dbraw/zinc/78/13/41/1220781341.db2.gz YGQWNHWXADKZTP-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102781988 1220781573 /nfs/dbraw/zinc/78/15/73/1220781573.db2.gz FXDPCUJLWFUVHG-BRWVUGGUSA-N 1 3 366.506 0.014 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102781988 1220781576 /nfs/dbraw/zinc/78/15/76/1220781576.db2.gz FXDPCUJLWFUVHG-BRWVUGGUSA-N 1 3 366.506 0.014 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993667 1220817342 /nfs/dbraw/zinc/81/73/42/1220817342.db2.gz DKHYUSWALAUGAP-NXHRZFHOSA-N 1 3 364.534 0.929 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103060595 1220826517 /nfs/dbraw/zinc/82/65/17/1220826517.db2.gz UUGDYHTUDTVHHU-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103060595 1220826518 /nfs/dbraw/zinc/82/65/18/1220826518.db2.gz UUGDYHTUDTVHHU-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308880 1220864960 /nfs/dbraw/zinc/86/49/60/1220864960.db2.gz JNNHRGCURYJDBD-ZIAGYGMSSA-N 1 3 367.494 0.130 20 0 FCADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CN(Cc3cnon3)C[C@H]2C)C1 ZINC001103365036 1220871460 /nfs/dbraw/zinc/87/14/60/1220871460.db2.gz RDCOIHCVAIDYQE-BFYDXBDKSA-N 1 3 365.478 0.753 20 0 FCADHO CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CN(Cc3cnon3)C[C@H]2C)C1 ZINC001103365036 1220871463 /nfs/dbraw/zinc/87/14/63/1220871463.db2.gz RDCOIHCVAIDYQE-BFYDXBDKSA-N 1 3 365.478 0.753 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380448 1220874363 /nfs/dbraw/zinc/87/43/63/1220874363.db2.gz XEBQFNMHERQUCZ-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722423 1220953210 /nfs/dbraw/zinc/95/32/10/1220953210.db2.gz MUAHVJNKMDFUEA-IAGOWNOFSA-N 1 3 368.522 0.309 20 0 FCADHO CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722423 1220953212 /nfs/dbraw/zinc/95/32/12/1220953212.db2.gz MUAHVJNKMDFUEA-IAGOWNOFSA-N 1 3 368.522 0.309 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001103999905 1220996768 /nfs/dbraw/zinc/99/67/68/1220996768.db2.gz ORJYBNIBICLPRT-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229693427 1226028720 /nfs/dbraw/zinc/02/87/20/1226028720.db2.gz SCVFZYHHVIBEDZ-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229693427 1226028727 /nfs/dbraw/zinc/02/87/27/1226028727.db2.gz SCVFZYHHVIBEDZ-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)Nc2cnccn2)C1 ZINC001230138850 1226057383 /nfs/dbraw/zinc/05/73/83/1226057383.db2.gz TXUIVUCKVZIKKD-RRFJBIMHSA-N 1 3 360.462 0.384 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)Nc2cnccn2)C1 ZINC001230138850 1226057389 /nfs/dbraw/zinc/05/73/89/1226057389.db2.gz TXUIVUCKVZIKKD-RRFJBIMHSA-N 1 3 360.462 0.384 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001230149250 1226057702 /nfs/dbraw/zinc/05/77/02/1226057702.db2.gz BDTOZKYZPYQPHC-USXIJHARSA-N 1 3 364.494 0.300 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)CC1 ZINC001118131005 1221716723 /nfs/dbraw/zinc/71/67/23/1221716723.db2.gz PSDMCNSTXHILOX-UHFFFAOYSA-N 1 3 371.489 0.304 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118678845 1221818401 /nfs/dbraw/zinc/81/84/01/1221818401.db2.gz RVLIQIMJNLDQOV-SJORKVTESA-N 1 3 364.490 0.053 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118678845 1221818402 /nfs/dbraw/zinc/81/84/02/1221818402.db2.gz RVLIQIMJNLDQOV-SJORKVTESA-N 1 3 364.490 0.053 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069795 1222238389 /nfs/dbraw/zinc/23/83/89/1222238389.db2.gz GALDXTLWWGNOPR-YESZJQIVSA-N 1 3 363.506 0.606 20 0 FCADHO C[C@@H]1Cn2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147976 1222244941 /nfs/dbraw/zinc/24/49/41/1222244941.db2.gz GNNITLVCHSTFQZ-GDBMZVCRSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@@H]1Cn2nc(C(=O)N(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147976 1222244945 /nfs/dbraw/zinc/24/49/45/1222244945.db2.gz GNNITLVCHSTFQZ-GDBMZVCRSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@@H]1Cn2nc(C(=O)N(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2CN1 ZINC001122147976 1222244951 /nfs/dbraw/zinc/24/49/51/1222244951.db2.gz GNNITLVCHSTFQZ-GDBMZVCRSA-N 1 3 360.506 0.615 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000841018533 1222805699 /nfs/dbraw/zinc/80/56/99/1222805699.db2.gz VZEKZPBVNYGTQJ-SFHVURJKSA-N 1 3 360.506 0.935 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841165479 1222811538 /nfs/dbraw/zinc/81/15/38/1222811538.db2.gz XEGDXWKFDXKBLC-INIZCTEOSA-N 1 3 359.474 0.635 20 0 FCADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000842011503 1222832498 /nfs/dbraw/zinc/83/24/98/1222832498.db2.gz PEAAMAAHRIXLOT-PKOBYXMFSA-N 1 3 362.474 0.253 20 0 FCADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000842011503 1222832503 /nfs/dbraw/zinc/83/25/03/1222832503.db2.gz PEAAMAAHRIXLOT-PKOBYXMFSA-N 1 3 362.474 0.253 20 0 FCADHO NC(=O)COc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843057865 1222858260 /nfs/dbraw/zinc/85/82/60/1222858260.db2.gz NAALLSBNBJYCAJ-AEFFLSMTSA-N 1 3 374.485 0.631 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703914 1226163924 /nfs/dbraw/zinc/16/39/24/1226163924.db2.gz ISTWFYDJLQGVJX-FXAWDEMLSA-N 1 3 361.486 0.912 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703914 1226163929 /nfs/dbraw/zinc/16/39/29/1226163929.db2.gz ISTWFYDJLQGVJX-FXAWDEMLSA-N 1 3 361.486 0.912 20 0 FCADHO CCOC(=O)[C@H]1CN(CCN(C)C)C(=O)C12CC[NH+](C[C@H](O)CC)CC2 ZINC001277712495 1226168185 /nfs/dbraw/zinc/16/81/85/1226168185.db2.gz IGLTWEGYCMLUHN-HZPDHXFCSA-N 1 3 369.506 0.423 20 0 FCADHO CN1CCN(c2ccc(N3CCN(CC4CC[NH+](C)CC4)CC3)nn2)CC1 ZINC001157837756 1223083035 /nfs/dbraw/zinc/08/30/35/1223083035.db2.gz YQRPUXNVHFVLMN-UHFFFAOYSA-N 1 3 373.549 0.692 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319556 1223094550 /nfs/dbraw/zinc/09/45/50/1223094550.db2.gz IEXNKNDRBDEYPR-DLBZAZTESA-N 1 3 354.454 0.900 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319556 1223094554 /nfs/dbraw/zinc/09/45/54/1223094554.db2.gz IEXNKNDRBDEYPR-DLBZAZTESA-N 1 3 354.454 0.900 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319558 1223094745 /nfs/dbraw/zinc/09/47/45/1223094745.db2.gz IEXNKNDRBDEYPR-IRXDYDNUSA-N 1 3 354.454 0.900 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319558 1223094748 /nfs/dbraw/zinc/09/47/48/1223094748.db2.gz IEXNKNDRBDEYPR-IRXDYDNUSA-N 1 3 354.454 0.900 20 0 FCADHO N[C@H](C(=O)N1CCC2(CCCN2c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001158759591 1223107306 /nfs/dbraw/zinc/10/73/06/1223107306.db2.gz RLNUQLAFDWIXDL-INIZCTEOSA-N 1 3 358.490 0.765 20 0 FCADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158791535 1223109492 /nfs/dbraw/zinc/10/94/92/1223109492.db2.gz XBAUTDKPXRMFRV-KBPBESRZSA-N 1 3 362.478 0.244 20 0 FCADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158791535 1223109496 /nfs/dbraw/zinc/10/94/96/1223109496.db2.gz XBAUTDKPXRMFRV-KBPBESRZSA-N 1 3 362.478 0.244 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158927049 1223112806 /nfs/dbraw/zinc/11/28/06/1223112806.db2.gz WAAWOBRAPMCZJE-QFBILLFUSA-N 1 3 362.449 0.843 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001158905505 1223112816 /nfs/dbraw/zinc/11/28/16/1223112816.db2.gz XQMXHMIOIHXVQV-DTZQCDIJSA-N 1 3 361.446 0.092 20 0 FCADHO O=C(CNC1CC[NH2+]CC1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159548523 1223129086 /nfs/dbraw/zinc/12/90/86/1223129086.db2.gz BIBWRVUWFBZJLZ-UHFFFAOYSA-N 1 3 360.506 0.599 20 0 FCADHO O=C(N1CCCn2cnc(CNC3CCC3)c2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159548408 1223129165 /nfs/dbraw/zinc/12/91/65/1223129165.db2.gz ADBTZUIPKAZSKM-KUHUBIRLSA-N 1 3 358.490 0.209 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159584105 1223129891 /nfs/dbraw/zinc/12/98/91/1223129891.db2.gz GNLGNOQJUZWMBP-HOTGVXAUSA-N 1 3 359.474 0.077 20 0 FCADHO [NH3+]CCCNCC(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159583495 1223129974 /nfs/dbraw/zinc/12/99/74/1223129974.db2.gz YIOHRCSANXZFEP-UHFFFAOYSA-N 1 3 373.505 0.156 20 0 FCADHO NC(=[NH2+])NCCCCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666250 1223132741 /nfs/dbraw/zinc/13/27/41/1223132741.db2.gz PQWBDWVWOPWOOV-IRXDYDNUSA-N 1 3 374.489 0.537 20 0 FCADHO NC(=[NH2+])NCCCCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666249 1223132853 /nfs/dbraw/zinc/13/28/53/1223132853.db2.gz PQWBDWVWOPWOOV-IAGOWNOFSA-N 1 3 374.489 0.537 20 0 FCADHO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@]45C[NH2+]C[C@H]4CNCC5)C[C@@H]32)C1=O ZINC001159687733 1223134066 /nfs/dbraw/zinc/13/40/66/1223134066.db2.gz HXWFXYMXVMKVCP-AOHSKODXSA-N 1 3 373.501 0.073 20 0 FCADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]12 ZINC001159993751 1223142291 /nfs/dbraw/zinc/14/22/91/1223142291.db2.gz QNINRAXRHOKILK-NSHGMRRFSA-N 1 3 358.486 0.844 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160353512 1223155602 /nfs/dbraw/zinc/15/56/02/1223155602.db2.gz PFGSYMUJAKKLCK-ZDUSSCGKSA-N 1 3 358.402 0.273 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356580 1223156426 /nfs/dbraw/zinc/15/64/26/1223156426.db2.gz DEXUJKDKDFVUIW-KDOFPFPSSA-N 1 3 364.446 0.179 20 0 FCADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160787487 1223172493 /nfs/dbraw/zinc/17/24/93/1223172493.db2.gz JXYZYMPNPBGJCU-BBRMVZONSA-N 1 3 365.478 0.894 20 0 FCADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160826209 1223176746 /nfs/dbraw/zinc/17/67/46/1223176746.db2.gz VMDYZEROMDELGQ-HOCLYGCPSA-N 1 3 365.478 0.894 20 0 FCADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161026408 1223183466 /nfs/dbraw/zinc/18/34/66/1223183466.db2.gz HGGBOKSPHZWMRO-DLBZAZTESA-N 1 3 357.454 0.987 20 0 FCADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161026408 1223183471 /nfs/dbraw/zinc/18/34/71/1223183471.db2.gz HGGBOKSPHZWMRO-DLBZAZTESA-N 1 3 357.454 0.987 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161275704 1223193576 /nfs/dbraw/zinc/19/35/76/1223193576.db2.gz CATVYJBUUKWACF-ROUUACIJSA-N 1 3 361.490 0.796 20 0 FCADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C2)nc1 ZINC001161299535 1223194609 /nfs/dbraw/zinc/19/46/09/1223194609.db2.gz WRDWFRVGAPXVEY-ZFWWWQNUSA-N 1 3 361.446 0.339 20 0 FCADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C2)nc1 ZINC001161299535 1223194615 /nfs/dbraw/zinc/19/46/15/1223194615.db2.gz WRDWFRVGAPXVEY-ZFWWWQNUSA-N 1 3 361.446 0.339 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H](N)c1ccc(OC)nc1)CC2 ZINC001161480560 1223201048 /nfs/dbraw/zinc/20/10/48/1223201048.db2.gz UVLVWJFILCYVHV-PMUMKWKESA-N 1 3 362.430 0.234 20 0 FCADHO Cc1nc(N)nc2c1nc(NCCCN1CCN(C)CC1)c(=O)n2C(C)C ZINC001161705605 1223206817 /nfs/dbraw/zinc/20/68/17/1223206817.db2.gz KEERSIGHXZWDSQ-UHFFFAOYSA-N 1 3 374.493 0.707 20 0 FCADHO c1cc(NCc2nnn3c2CNCCC3)cn2nnc([C@@H]3CCC[NH2+]3)c12 ZINC001162971797 1223222541 /nfs/dbraw/zinc/22/25/41/1223222541.db2.gz NYLOQZCNAYDQLE-ZDUSSCGKSA-N 1 3 353.434 0.851 20 0 FCADHO C[NH+]1CCC(COc2cnc(NCc3nnn4c3CNCCC4)nc2)CC1 ZINC001162974227 1223222655 /nfs/dbraw/zinc/22/26/55/1223222655.db2.gz WDNWWGXTSOYZPK-UHFFFAOYSA-N 1 3 372.477 0.894 20 0 FCADHO CCOC(=O)c1nc2ccn(C)c2c(NC(=[NH2+])NCCN(CC)CC)n1 ZINC001163128392 1223227389 /nfs/dbraw/zinc/22/73/89/1223227389.db2.gz JOVFQVLMHMNJDB-UHFFFAOYSA-N 1 3 361.450 0.845 20 0 FCADHO CN(C)CC(C)(C)C[N@@H+]1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001207281379 1223433527 /nfs/dbraw/zinc/43/35/27/1223433527.db2.gz ARRIMMRNYRDKQE-UHFFFAOYSA-N 1 3 362.518 0.925 20 0 FCADHO CN(C)CC(C)(C)C[N@H+]1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001207281379 1223433532 /nfs/dbraw/zinc/43/35/32/1223433532.db2.gz ARRIMMRNYRDKQE-UHFFFAOYSA-N 1 3 362.518 0.925 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495874 1223550822 /nfs/dbraw/zinc/55/08/22/1223550822.db2.gz BBFSYERDIXEGMK-HLLBOEOZSA-N 1 3 367.465 0.954 20 0 FCADHO CO[C@@H]1CN(C[C@H](O)CCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377990 1223792453 /nfs/dbraw/zinc/79/24/53/1223792453.db2.gz AJZBBXYWFWDPQT-GUDVDZBRSA-N 1 3 363.502 0.747 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213456009 1223801254 /nfs/dbraw/zinc/80/12/54/1223801254.db2.gz ZEZXBTLNGPPPLA-RCCFBDPRSA-N 1 3 371.522 0.729 20 0 FCADHO CO[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213745218 1223843299 /nfs/dbraw/zinc/84/32/99/1223843299.db2.gz YRWRJMAGAVXODO-KZNAEPCWSA-N 1 3 371.522 0.729 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856003 1223948430 /nfs/dbraw/zinc/94/84/30/1223948430.db2.gz UHVFOIFXDXZWHN-QLFBSQMISA-N 1 3 367.494 0.141 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856003 1223948432 /nfs/dbraw/zinc/94/84/32/1223948432.db2.gz UHVFOIFXDXZWHN-QLFBSQMISA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1NCc1cnnn1C ZINC001215015655 1223964333 /nfs/dbraw/zinc/96/43/33/1223964333.db2.gz ZIEZJZKVUSESLX-RHSMWYFYSA-N 1 3 357.462 0.673 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215539866 1224005169 /nfs/dbraw/zinc/00/51/69/1224005169.db2.gz AXHIRINLMACRPZ-MUKKUYKPSA-N 1 3 368.497 0.914 20 0 FCADHO CCCN(CCC)C(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216402032 1224048476 /nfs/dbraw/zinc/04/84/76/1224048476.db2.gz SRLLPLXSDROIGU-IAGOWNOFSA-N 1 3 370.538 0.650 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216410110 1224048945 /nfs/dbraw/zinc/04/89/45/1224048945.db2.gz REHBZUXKQVLEAU-HLLBOEOZSA-N 1 3 362.518 0.966 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001216510868 1224053893 /nfs/dbraw/zinc/05/38/93/1224053893.db2.gz BNKPQYSXWOIERE-IXDOHACOSA-N 1 3 368.522 0.308 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001216510868 1224053896 /nfs/dbraw/zinc/05/38/96/1224053896.db2.gz BNKPQYSXWOIERE-IXDOHACOSA-N 1 3 368.522 0.308 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216845138 1224078593 /nfs/dbraw/zinc/07/85/93/1224078593.db2.gz YVINXGDHZVDHSZ-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000986769859 1248993342 /nfs/dbraw/zinc/99/33/42/1248993342.db2.gz BQLLWEYTKFMGCA-CVEARBPZSA-N 1 3 371.485 0.888 20 0 FCADHO C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 ZINC000849071671 1245392043 /nfs/dbraw/zinc/39/20/43/1245392043.db2.gz SQRHTWNLSHURDT-INIZCTEOSA-N 1 3 360.510 0.006 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891480248 1245452256 /nfs/dbraw/zinc/45/22/56/1245452256.db2.gz ADNJKCABIQHWDW-YYIAUSFCSA-N 1 3 365.522 0.759 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516482 1245504904 /nfs/dbraw/zinc/50/49/04/1245504904.db2.gz KLOVFDMVFOFTBU-KBAYOESNSA-N 1 3 374.485 0.297 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1=O ZINC000922867957 1245691510 /nfs/dbraw/zinc/69/15/10/1245691510.db2.gz NKTCFARGLAYASE-HNNXBMFYSA-N 1 3 366.506 0.156 20 0 FCADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000923321511 1245709184 /nfs/dbraw/zinc/70/91/84/1245709184.db2.gz GPZAMPSBWJEWKM-MSOLQXFVSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000923321511 1245709188 /nfs/dbraw/zinc/70/91/88/1245709188.db2.gz GPZAMPSBWJEWKM-MSOLQXFVSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001328235340 1265510327 /nfs/dbraw/zinc/51/03/27/1265510327.db2.gz XOUAONGLGVNULI-QGZVFWFLSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001002950180 1252748768 /nfs/dbraw/zinc/74/87/68/1252748768.db2.gz VZLUNLRQBKHQMX-TVFCKZIOSA-N 1 3 360.502 0.672 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001004815836 1253411172 /nfs/dbraw/zinc/41/11/72/1253411172.db2.gz XFQXHVYWWPFJNM-ZJPZJRRFSA-N 1 3 359.474 0.849 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001004815836 1253411189 /nfs/dbraw/zinc/41/11/89/1253411189.db2.gz XFQXHVYWWPFJNM-ZJPZJRRFSA-N 1 3 359.474 0.849 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CN(C)C(C)C)CCO2)CC[N@@H+]1C ZINC001065257708 1254501704 /nfs/dbraw/zinc/50/17/04/1254501704.db2.gz ZBGHUWOJPPBIAW-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)CN(C)C(C)C)CCO2)CC[N@H+]1C ZINC001065257708 1254501715 /nfs/dbraw/zinc/50/17/15/1254501715.db2.gz ZBGHUWOJPPBIAW-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C(C)C)CCO3)C2)c1 ZINC001077565746 1254698978 /nfs/dbraw/zinc/69/89/78/1254698978.db2.gz WRPXNSJLNJHCTD-GUDVDZBRSA-N 1 3 361.486 0.766 20 0 FCADHO Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C(C)C)CCO3)C2)c1 ZINC001077565746 1254698986 /nfs/dbraw/zinc/69/89/86/1254698986.db2.gz WRPXNSJLNJHCTD-GUDVDZBRSA-N 1 3 361.486 0.766 20 0 FCADHO COc1cccc(CCCN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175799 1255289313 /nfs/dbraw/zinc/28/93/13/1255289313.db2.gz MSUMOPRGSOHFOF-BHIYHBOVSA-N 1 3 361.486 0.741 20 0 FCADHO COc1cccc(CCCN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175799 1255289325 /nfs/dbraw/zinc/28/93/25/1255289325.db2.gz MSUMOPRGSOHFOF-BHIYHBOVSA-N 1 3 361.486 0.741 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCc1cnn(C)c1 ZINC001082517999 1256802484 /nfs/dbraw/zinc/80/24/84/1256802484.db2.gz UFCDQFAABXJWAM-RHSMWYFYSA-N 1 3 359.478 0.429 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082544866 1256835203 /nfs/dbraw/zinc/83/52/03/1256835203.db2.gz VWSGGRBUEZDGLL-ZACQAIPSSA-N 1 3 366.506 0.156 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082544866 1256835211 /nfs/dbraw/zinc/83/52/11/1256835211.db2.gz VWSGGRBUEZDGLL-ZACQAIPSSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082653662 1256959749 /nfs/dbraw/zinc/95/97/49/1256959749.db2.gz XBZLOLUYODYURJ-PWRQTXRISA-N 1 3 359.474 0.220 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082743096 1257022422 /nfs/dbraw/zinc/02/24/22/1257022422.db2.gz HOGSGEUYBFKUSU-IIDMSEBBSA-N 1 3 366.485 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082851826 1257104303 /nfs/dbraw/zinc/10/43/03/1257104303.db2.gz FCHLDOHJGOAWPM-CRAIPNDOSA-N 1 3 362.518 0.777 20 0 FCADHO CC(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149099 1257404940 /nfs/dbraw/zinc/40/49/40/1257404940.db2.gz YSYRCOQMPWTPSS-KZIZELGASA-N 1 3 363.502 0.807 20 0 FCADHO CC(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149099 1257404941 /nfs/dbraw/zinc/40/49/41/1257404941.db2.gz YSYRCOQMPWTPSS-KZIZELGASA-N 1 3 363.502 0.807 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)n1 ZINC001083470186 1257461466 /nfs/dbraw/zinc/46/14/66/1257461466.db2.gz DHEZKUYXJAGJTA-MSOLQXFVSA-N 1 3 363.506 0.800 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001084631055 1258211518 /nfs/dbraw/zinc/21/15/18/1258211518.db2.gz AEWSDKPKMTTYBN-FGTMMUONSA-N 1 3 361.490 0.119 20 0 FCADHO C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092722117 1258817094 /nfs/dbraw/zinc/81/70/94/1258817094.db2.gz VOHPDDAWTRJXAB-ZACQAIPSSA-N 1 3 362.518 0.825 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1)N(C)C ZINC001106673558 1258939197 /nfs/dbraw/zinc/93/91/97/1258939197.db2.gz HGTLKYYXGMNBBV-KFWWJZLASA-N 1 3 362.478 0.439 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106705234 1258943960 /nfs/dbraw/zinc/94/39/60/1258943960.db2.gz XYGXVEXVDXNXAK-HZPDHXFCSA-N 1 3 361.490 0.895 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779552 1258961999 /nfs/dbraw/zinc/96/19/99/1258961999.db2.gz RLPNJLZLTNOZEP-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106798570 1258965661 /nfs/dbraw/zinc/96/56/61/1258965661.db2.gz LKPIJURLDJWYFC-IAGOWNOFSA-N 1 3 365.522 0.428 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1cc2n(n1)CCC2 ZINC001106880187 1258986046 /nfs/dbraw/zinc/98/60/46/1258986046.db2.gz CVTNMQRZIYSTMT-HZPDHXFCSA-N 1 3 363.506 0.592 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCCC2)CC[N@@H+]1C ZINC001127691036 1259185263 /nfs/dbraw/zinc/18/52/63/1259185263.db2.gz YSBXHIXQXCJFOD-UKRRQHHQSA-N 1 3 367.494 0.191 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCCC2)CC[N@H+]1C ZINC001127691036 1259185266 /nfs/dbraw/zinc/18/52/66/1259185266.db2.gz YSBXHIXQXCJFOD-UKRRQHHQSA-N 1 3 367.494 0.191 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3cccc(CNCCO)n3)C2)CC[N@@H+]1C ZINC001128106672 1259193125 /nfs/dbraw/zinc/19/31/25/1259193125.db2.gz BTNSANZBGRPKJG-DJIMGWMZSA-N 1 3 361.490 0.199 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3cccc(CNCCO)n3)C2)CC[N@H+]1C ZINC001128106672 1259193129 /nfs/dbraw/zinc/19/31/29/1259193129.db2.gz BTNSANZBGRPKJG-DJIMGWMZSA-N 1 3 361.490 0.199 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001200537648 1259415954 /nfs/dbraw/zinc/41/59/54/1259415954.db2.gz SISQRJMDXKWDGZ-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001200537648 1259415958 /nfs/dbraw/zinc/41/59/58/1259415958.db2.gz SISQRJMDXKWDGZ-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001200537577 1259416993 /nfs/dbraw/zinc/41/69/93/1259416993.db2.gz QYZKQMKVCMLLDR-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001200537577 1259416997 /nfs/dbraw/zinc/41/69/97/1259416997.db2.gz QYZKQMKVCMLLDR-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO CC1(C)OC[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)N1C(=O)CN ZINC001212285453 1259453728 /nfs/dbraw/zinc/45/37/28/1259453728.db2.gz XQIQKEZSZFRZFO-ZDUSSCGKSA-N 1 3 358.402 0.372 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215535988 1259534392 /nfs/dbraw/zinc/53/43/92/1259534392.db2.gz BQLGAYGWPLBMLP-HLLBOEOZSA-N 1 3 362.474 0.817 20 0 FCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206129 1259569417 /nfs/dbraw/zinc/56/94/17/1259569417.db2.gz RSBWRKHQISQVDF-HUUCEWRRSA-N 1 3 371.476 0.951 20 0 FCADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214464 1259622941 /nfs/dbraw/zinc/62/29/41/1259622941.db2.gz HBZYIZFGMHMGHN-KGLIPLIRSA-N 1 3 370.494 0.517 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CNCC12CC2 ZINC001246129605 1259648815 /nfs/dbraw/zinc/64/88/15/1259648815.db2.gz GFHBCTGSQYDEKF-KBPBESRZSA-N 1 3 374.489 0.334 20 0 FCADHO O=C1CCCN1CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246155584 1259650798 /nfs/dbraw/zinc/65/07/98/1259650798.db2.gz DXIFZOANMFLHOE-KRWDZBQOSA-N 1 3 358.486 0.670 20 0 FCADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CN1 ZINC001246191945 1259650886 /nfs/dbraw/zinc/65/08/86/1259650886.db2.gz BMTRBRLKMSYGFK-MOPGFXCFSA-N 1 3 360.502 0.817 20 0 FCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CCCO[C@]4(CNCCOC4)C3)C[C@H](C1)N2 ZINC001246668262 1259660619 /nfs/dbraw/zinc/66/06/19/1259660619.db2.gz MYBSQZKCMRBTKO-NEJPUZRRSA-N 1 3 367.490 0.140 20 0 FCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CCCO[C@]4(CNCCOC4)C3)C[C@H](C1)N2 ZINC001246668262 1259660630 /nfs/dbraw/zinc/66/06/30/1259660630.db2.gz MYBSQZKCMRBTKO-NEJPUZRRSA-N 1 3 367.490 0.140 20 0 FCADHO CN1CCN(c2ncnc3c2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)CC1 ZINC001246767338 1259686453 /nfs/dbraw/zinc/68/64/53/1259686453.db2.gz PQNQQXFWYMWBNP-SJPCQFCGSA-N 1 3 356.518 0.912 20 0 FCADHO COc1cc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)ccc1OC1COC1 ZINC001247832860 1259705984 /nfs/dbraw/zinc/70/59/84/1259705984.db2.gz ZZMJZURGSMSQSA-CYBMUJFWSA-N 1 3 358.398 0.799 20 0 FCADHO O=C(CC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)NCCc1c[nH]cn1 ZINC001252949350 1259812950 /nfs/dbraw/zinc/81/29/50/1259812950.db2.gz KIAHRSYMHJBXSR-FQEVSTJZSA-N 1 3 371.485 0.685 20 0 FCADHO O=C(CC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)NCCc1cnc[nH]1 ZINC001252949350 1259812954 /nfs/dbraw/zinc/81/29/54/1259812954.db2.gz KIAHRSYMHJBXSR-FQEVSTJZSA-N 1 3 371.485 0.685 20 0 FCADHO CC[NH+](CC)C[C@H](O)CNc1cc(N2CCN(CCO)CC2)nc(C)n1 ZINC001253176635 1259826122 /nfs/dbraw/zinc/82/61/22/1259826122.db2.gz LKEFYIRKQDNCRC-MRXNPFEDSA-N 1 3 366.510 0.014 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185885 1259828691 /nfs/dbraw/zinc/82/86/91/1259828691.db2.gz JOKHSZRZNKALRT-MJGOQNOKSA-N 1 3 363.506 0.942 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185885 1259828701 /nfs/dbraw/zinc/82/87/01/1259828701.db2.gz JOKHSZRZNKALRT-MJGOQNOKSA-N 1 3 363.506 0.942 20 0 FCADHO CCN(CC)C[C@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001253212303 1259831132 /nfs/dbraw/zinc/83/11/32/1259831132.db2.gz IBSZSDJBLLGPNQ-OAHLLOKOSA-N 1 3 372.510 0.358 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2CN([C@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523102 1259889247 /nfs/dbraw/zinc/88/92/47/1259889247.db2.gz SBRWPDMUQWIVBQ-BSDSXHPESA-N 1 3 361.490 0.866 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2CN([C@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523102 1259889253 /nfs/dbraw/zinc/88/92/53/1259889253.db2.gz SBRWPDMUQWIVBQ-BSDSXHPESA-N 1 3 361.490 0.866 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898427 /nfs/dbraw/zinc/89/84/27/1259898427.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 1 3 364.534 0.582 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898439 /nfs/dbraw/zinc/89/84/39/1259898439.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 1 3 364.534 0.582 20 0 FCADHO C[N@@H+]1CC[C@@](O)(CNC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999315 1259937169 /nfs/dbraw/zinc/93/71/69/1259937169.db2.gz DSDZZGWEGDTRAE-QZTJIDSGSA-N 1 3 357.495 0.795 20 0 FCADHO C[N@H+]1CC[C@@](O)(CNC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999315 1259937174 /nfs/dbraw/zinc/93/71/74/1259937174.db2.gz DSDZZGWEGDTRAE-QZTJIDSGSA-N 1 3 357.495 0.795 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001258373392 1260048136 /nfs/dbraw/zinc/04/81/36/1260048136.db2.gz HNUGBILHKQRGAM-DLBZAZTESA-N 1 3 367.538 0.071 20 0 FCADHO COc1ccc(F)c(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC001261769316 1260186954 /nfs/dbraw/zinc/18/69/54/1260186954.db2.gz WPCDCYRGLCXPKM-UHFFFAOYSA-N 1 3 368.453 0.402 20 0 FCADHO CN1CCN(C2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC001262007166 1260244837 /nfs/dbraw/zinc/24/48/37/1260244837.db2.gz WHWMWOMRHKBMDH-GOSISDBHSA-N 1 3 360.506 0.660 20 0 FCADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001336966252 1260271146 /nfs/dbraw/zinc/27/11/46/1260271146.db2.gz WLTAUAAIBIWFGG-DOTOQJQBSA-N 1 3 362.474 0.247 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001336979867 1260274979 /nfs/dbraw/zinc/27/49/79/1260274979.db2.gz ADIBJLRFFVOVRS-GOSISDBHSA-N 1 3 351.454 0.936 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650330 1260443969 /nfs/dbraw/zinc/44/39/69/1260443969.db2.gz FEJNYIVBPVOIRI-QFBILLFUSA-N 1 3 366.506 0.110 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650330 1260443974 /nfs/dbraw/zinc/44/39/74/1260443974.db2.gz FEJNYIVBPVOIRI-QFBILLFUSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN1C[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)OCC1=O ZINC001272831989 1260513796 /nfs/dbraw/zinc/51/37/96/1260513796.db2.gz CQLLBFHXSGAJNH-LJQANCHMSA-N 1 3 366.506 0.254 20 0 FCADHO CC/C=C\CC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001279520974 1260883196 /nfs/dbraw/zinc/88/31/96/1260883196.db2.gz JLKIDIIKDZFRDN-JEZUCGJFSA-N 1 3 362.518 0.943 20 0 FCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279916 1266369427 /nfs/dbraw/zinc/36/94/27/1266369427.db2.gz LMTFHFOJXXKILJ-QZTJIDSGSA-N 1 3 369.469 0.650 20 0 FCADHO CCN(CC)C(=O)CN1CCC[C@@]2(C1)C[N@H+](CCn1ccnc1)CCO2 ZINC001280169990 1261019750 /nfs/dbraw/zinc/01/97/50/1261019750.db2.gz OTTAHYQLURPQPC-IBGZPJMESA-N 1 3 363.506 0.918 20 0 FCADHO CCN(CC)C(=O)CN1CCC[C@@]2(C1)C[N@@H+](CCn1ccnc1)CCO2 ZINC001280169990 1261019755 /nfs/dbraw/zinc/01/97/55/1261019755.db2.gz OTTAHYQLURPQPC-IBGZPJMESA-N 1 3 363.506 0.918 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@@H]2COC(C)(C)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001280227676 1261040167 /nfs/dbraw/zinc/04/01/67/1261040167.db2.gz PZDRTCQHJOXOFL-APWZRJJASA-N 1 3 368.522 0.356 20 0 FCADHO CN1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259439 1261043128 /nfs/dbraw/zinc/04/31/28/1261043128.db2.gz ONGARQPFRRNBLN-AHCXZYCDSA-N 1 3 361.490 0.847 20 0 FCADHO CN1CCC[C@@H](C[N@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259439 1261043134 /nfs/dbraw/zinc/04/31/34/1261043134.db2.gz ONGARQPFRRNBLN-AHCXZYCDSA-N 1 3 361.490 0.847 20 0 FCADHO [NH3+]CCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001580302690 1278110413 /nfs/dbraw/zinc/11/04/13/1278110413.db2.gz NDAXEGZZFKJZTE-JKSUJKDBSA-N 1 3 364.494 0.637 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001479579042 1263261824 /nfs/dbraw/zinc/26/18/24/1263261824.db2.gz RMOJMXRBJCOJHR-ILXRZTDVSA-N 1 3 369.510 0.518 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001479579042 1263261827 /nfs/dbraw/zinc/26/18/27/1263261827.db2.gz RMOJMXRBJCOJHR-ILXRZTDVSA-N 1 3 369.510 0.518 20 0 FCADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001318502035 1263581036 /nfs/dbraw/zinc/58/10/36/1263581036.db2.gz FKKSGIBWMZRZCN-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001487189256 1263594277 /nfs/dbraw/zinc/59/42/77/1263594277.db2.gz CAIHIJUEAMLQBT-CKEIUWERSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001487189256 1263594284 /nfs/dbraw/zinc/59/42/84/1263594284.db2.gz CAIHIJUEAMLQBT-CKEIUWERSA-N 1 3 350.507 0.774 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC001320359194 1263788404 /nfs/dbraw/zinc/78/84/04/1263788404.db2.gz IZPXHIRBQJZTSF-FQEVSTJZSA-N 1 3 371.529 0.440 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC001320359194 1263788412 /nfs/dbraw/zinc/78/84/12/1263788412.db2.gz IZPXHIRBQJZTSF-FQEVSTJZSA-N 1 3 371.529 0.440 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001322598954 1264228051 /nfs/dbraw/zinc/22/80/51/1264228051.db2.gz WGDLITDUYNYUEI-SJORKVTESA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC001325087847 1264771422 /nfs/dbraw/zinc/77/14/22/1264771422.db2.gz ZHAJLSOZJIJRFT-XLIONFOSSA-N 1 3 360.502 0.785 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC2(CCOCC2)C1 ZINC001325199363 1264805188 /nfs/dbraw/zinc/80/51/88/1264805188.db2.gz DNOYEROBZDBNHE-UHFFFAOYSA-N 1 3 368.522 0.357 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580406509 1278240780 /nfs/dbraw/zinc/24/07/80/1278240780.db2.gz MWXVFPJEZUGHKK-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580406509 1278240795 /nfs/dbraw/zinc/24/07/95/1278240795.db2.gz MWXVFPJEZUGHKK-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580406509 1278240813 /nfs/dbraw/zinc/24/08/13/1278240813.db2.gz MWXVFPJEZUGHKK-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580406509 1278240831 /nfs/dbraw/zinc/24/08/31/1278240831.db2.gz MWXVFPJEZUGHKK-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(CN[C@H]2CCC[C@@H]2C(=O)OC)COC1 ZINC001326571254 1265137222 /nfs/dbraw/zinc/13/72/22/1265137222.db2.gz FVJDTRDCLJYMND-FZKCQIBNSA-N 1 3 368.474 0.866 20 0 FCADHO COC(=O)[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@H]2CCC[C@@H]2C(=O)OC)COC1 ZINC001326571254 1265137226 /nfs/dbraw/zinc/13/72/26/1265137226.db2.gz FVJDTRDCLJYMND-FZKCQIBNSA-N 1 3 368.474 0.866 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001327487891 1265340058 /nfs/dbraw/zinc/34/00/58/1265340058.db2.gz XZZLBGFPNSXEGY-OAHLLOKOSA-N 1 3 361.490 0.524 20 0 FCADHO CC(CN1CCN([C@H]2CCOC2)CC1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001327498241 1265342284 /nfs/dbraw/zinc/34/22/84/1265342284.db2.gz FHWUFSWRGUYDOM-PMACEKPBSA-N 1 3 366.550 0.436 20 0 FCADHO O=C1CC2(CN1)CCN(C/C=C\C[NH+]1CCC3(CNC(=O)C3)CC1)CC2 ZINC001327642432 1265384213 /nfs/dbraw/zinc/38/42/13/1265384213.db2.gz IPVYZFOCUVHRHA-UPHRSURJSA-N 1 3 360.502 0.747 20 0 FCADHO O=C1NCC2(CCN(C/C=C/C[NH+]3CCC4(CNC(=O)O4)CC3)CC2)O1 ZINC001332727918 1266468689 /nfs/dbraw/zinc/46/86/89/1266468689.db2.gz IWMBXUPTDIMGBI-OWOJBTEDSA-N 1 3 364.446 0.691 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397696 1266591109 /nfs/dbraw/zinc/59/11/09/1266591109.db2.gz MMPMPISWAVRPMK-JKSUJKDBSA-N 1 3 366.506 0.252 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C[C@@H]2[NH3+])cn1 ZINC001549034821 1267792816 /nfs/dbraw/zinc/79/28/16/1267792816.db2.gz SHEJDBJTTZOJRA-NEWSRXKRSA-N 1 3 368.485 0.980 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001550201828 1268092074 /nfs/dbraw/zinc/09/20/74/1268092074.db2.gz JGWFOFMROJKXTF-CABCVRRESA-N 1 3 354.470 0.657 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1CN3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476620 1268124245 /nfs/dbraw/zinc/12/42/45/1268124245.db2.gz ALGLFBORZGCHRT-FWCYYJLNSA-N 1 3 351.491 0.446 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1CN3CCC[C@H]3CO1)[C@@H](O)C2 ZINC001550476620 1268124250 /nfs/dbraw/zinc/12/42/50/1268124250.db2.gz ALGLFBORZGCHRT-FWCYYJLNSA-N 1 3 351.491 0.446 20 0 FCADHO Cn1nccc1[C@@H]1[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704556 1268153821 /nfs/dbraw/zinc/15/38/21/1268153821.db2.gz ZUMGYSXUZZXWDG-MDZRGWNJSA-N 1 3 373.501 0.973 20 0 FCADHO [NH3+][C@@]1(CO)CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001550745053 1268160452 /nfs/dbraw/zinc/16/04/52/1268160452.db2.gz RPOYZTQMRZCZEM-IBGZPJMESA-N 1 3 361.490 0.789 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)C[C@@H]2[NH3+])c1 ZINC001550757322 1268162478 /nfs/dbraw/zinc/16/24/78/1268162478.db2.gz OBSABRILQINBQQ-ZACQAIPSSA-N 1 3 354.458 0.571 20 0 FCADHO Cn1cc(-c2cc(CN[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)on2)cn1 ZINC001550913969 1268184406 /nfs/dbraw/zinc/18/44/06/1268184406.db2.gz QZCZXIIOXHEUOZ-CRAIPNDOSA-N 1 3 358.446 0.812 20 0 FCADHO COc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550911823 1268184463 /nfs/dbraw/zinc/18/44/63/1268184463.db2.gz GEOVEZGROYDFAK-QFBILLFUSA-N 1 3 360.458 0.870 20 0 FCADHO CN1[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]2C[C@H]1CO ZINC001551477848 1268258995 /nfs/dbraw/zinc/25/89/95/1268258995.db2.gz HZVCDPGCXJXPPA-LKGSSIFKSA-N 1 3 358.486 0.752 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001551498421 1268261657 /nfs/dbraw/zinc/26/16/57/1268261657.db2.gz QMRLKIZZHAPGLJ-VMWRSERWSA-N 1 3 354.495 0.515 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551542345 1268264384 /nfs/dbraw/zinc/26/43/84/1268264384.db2.gz BQRHJOYQKMLPJI-UXOAXIEHSA-N 1 3 362.396 0.691 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551547582 1268264549 /nfs/dbraw/zinc/26/45/49/1268264549.db2.gz DOXMQLIORWJUMS-BHEGOAEISA-N 1 3 363.506 0.594 20 0 FCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552258103 1268424701 /nfs/dbraw/zinc/42/47/01/1268424701.db2.gz PZDZWJBHMBBSQY-DGAVXFQQSA-N 1 3 350.442 0.771 20 0 FCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552258105 1268425025 /nfs/dbraw/zinc/42/50/25/1268425025.db2.gz PZDZWJBHMBBSQY-XUXIUFHCSA-N 1 3 350.442 0.771 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC001552304036 1268435596 /nfs/dbraw/zinc/43/55/96/1268435596.db2.gz YSGQQPPUKIGMQR-PKOBYXMFSA-N 1 3 358.486 0.912 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1=O ZINC001552304036 1268435606 /nfs/dbraw/zinc/43/56/06/1268435606.db2.gz YSGQQPPUKIGMQR-PKOBYXMFSA-N 1 3 358.486 0.912 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111435 1268438442 /nfs/dbraw/zinc/43/84/42/1268438442.db2.gz CAWGPQRNYZRSDH-TZIWHRDSSA-N 1 3 374.529 0.986 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(CN2CCOCC2)CC1 ZINC001340271031 1268493179 /nfs/dbraw/zinc/49/31/79/1268493179.db2.gz DRJVAAXYXUCHJT-QGZVFWFLSA-N 1 3 363.510 0.706 20 0 FCADHO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(CN2CCOCC2)CC1 ZINC001340271031 1268493185 /nfs/dbraw/zinc/49/31/85/1268493185.db2.gz DRJVAAXYXUCHJT-QGZVFWFLSA-N 1 3 363.510 0.706 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001552839457 1268557167 /nfs/dbraw/zinc/55/71/67/1268557167.db2.gz JEEQJWYWXTXBDK-GFCCVEGCSA-N 1 3 372.420 0.543 20 0 FCADHO Cn1cc([C@H]2[C@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCCN2C)cn1 ZINC001552976178 1268571251 /nfs/dbraw/zinc/57/12/51/1268571251.db2.gz OPOVONCGQKJUML-MAUKXSAKSA-N 1 3 362.522 0.413 20 0 FCADHO Cn1cc([C@H]2[C@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCCN2C)cn1 ZINC001552976178 1268571254 /nfs/dbraw/zinc/57/12/54/1268571254.db2.gz OPOVONCGQKJUML-MAUKXSAKSA-N 1 3 362.522 0.413 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)CC2)nc1 ZINC001553425816 1268648316 /nfs/dbraw/zinc/64/83/16/1268648316.db2.gz UMYSGUZVWQUTJH-YESZJQIVSA-N 1 3 359.474 0.311 20 0 FCADHO C[C@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553531804 1268663816 /nfs/dbraw/zinc/66/38/16/1268663816.db2.gz VUECMKDQIJWUNM-JKSUJKDBSA-N 1 3 365.522 0.747 20 0 FCADHO C[C@H]1CN2CCN1C[C@@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844833 1269243333 /nfs/dbraw/zinc/24/33/33/1269243333.db2.gz LOSAHYSOWCQCPF-PKOBYXMFSA-N 1 3 371.529 0.484 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)N(C)C ZINC001343451999 1269912881 /nfs/dbraw/zinc/91/28/81/1269912881.db2.gz IXHCAPBOFKMVKS-SOLBZPMBSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[NH2+]CC2)n1CCN1CCC[C@H](C)C1 ZINC001573646986 1270847466 /nfs/dbraw/zinc/84/74/66/1270847466.db2.gz ZBUHVRDUXNHUQK-HNNXBMFYSA-N 1 3 363.510 0.558 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574889672 1271652565 /nfs/dbraw/zinc/65/25/65/1271652565.db2.gz XSLAJRZCIOUFAL-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574889672 1271652569 /nfs/dbraw/zinc/65/25/69/1271652569.db2.gz XSLAJRZCIOUFAL-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896183 1271658659 /nfs/dbraw/zinc/65/86/59/1271658659.db2.gz BVXAPDGDLQKCSX-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896183 1271658669 /nfs/dbraw/zinc/65/86/69/1271658669.db2.gz BVXAPDGDLQKCSX-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575115955 1271728513 /nfs/dbraw/zinc/72/85/13/1271728513.db2.gz UAGTXRTWGWELCV-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575115955 1271728524 /nfs/dbraw/zinc/72/85/24/1271728524.db2.gz UAGTXRTWGWELCV-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575115955 1271728533 /nfs/dbraw/zinc/72/85/33/1271728533.db2.gz UAGTXRTWGWELCV-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575115955 1271728541 /nfs/dbraw/zinc/72/85/41/1271728541.db2.gz UAGTXRTWGWELCV-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCC[C@@](N)(CO)C2)CC1 ZINC001575172697 1271763923 /nfs/dbraw/zinc/76/39/23/1271763923.db2.gz OBDJQCVHBVRPFJ-YJBOKZPZSA-N 1 3 357.495 0.780 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2CCC[C@@](N)(CO)C2)CC1 ZINC001575172697 1271763929 /nfs/dbraw/zinc/76/39/29/1271763929.db2.gz OBDJQCVHBVRPFJ-YJBOKZPZSA-N 1 3 357.495 0.780 20 0 FCADHO CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C[C@H](O)C2CC[NH2+]CC2)C1 ZINC001575214492 1271794188 /nfs/dbraw/zinc/79/41/88/1271794188.db2.gz UXFBJZFKJUCKMM-YJBOKZPZSA-N 1 3 357.495 0.699 20 0 FCADHO C[C@H](NCc1cn[nH]n1)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695977 1272316006 /nfs/dbraw/zinc/31/60/06/1272316006.db2.gz KQLVFXBKMNEDNL-WMLDXEAASA-N 1 3 364.494 0.775 20 0 FCADHO C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)CN1 ZINC001576772341 1273651695 /nfs/dbraw/zinc/65/16/95/1273651695.db2.gz MFXMEDDQGNEANA-HZPDHXFCSA-N 1 3 353.511 0.175 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001576839703 1273775309 /nfs/dbraw/zinc/77/53/09/1273775309.db2.gz UBLILBYDOLZBKD-CVEARBPZSA-N 1 3 350.467 0.386 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001576839703 1273775317 /nfs/dbraw/zinc/77/53/17/1273775317.db2.gz UBLILBYDOLZBKD-CVEARBPZSA-N 1 3 350.467 0.386 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)CN2CCOCC2)C[C@H]1[NH2+]CCc1cn[nH]n1 ZINC001577148701 1274200700 /nfs/dbraw/zinc/20/07/00/1274200700.db2.gz DMFVLSJZQADKDY-GDBMZVCRSA-N 1 3 364.494 0.142 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)CN2CCOCC2)C[C@H]1[NH2+]CCc1c[nH]nn1 ZINC001577148701 1274200708 /nfs/dbraw/zinc/20/07/08/1274200708.db2.gz DMFVLSJZQADKDY-GDBMZVCRSA-N 1 3 364.494 0.142 20 0 FCADHO CCC[NH2+]CCn1c(C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001577564836 1274519949 /nfs/dbraw/zinc/51/99/49/1274519949.db2.gz OGNYAWDGTXQXOR-UHFFFAOYSA-N 1 3 365.526 0.577 20 0 FCADHO CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577633733 1274620614 /nfs/dbraw/zinc/62/06/14/1274620614.db2.gz IEKOZMXUQNCPDY-QZTJIDSGSA-N 1 3 358.486 0.978 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577872106 1275061637 /nfs/dbraw/zinc/06/16/37/1275061637.db2.gz VLSONUAGBVVEHP-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577872106 1275061642 /nfs/dbraw/zinc/06/16/42/1275061642.db2.gz VLSONUAGBVVEHP-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001577872106 1275061648 /nfs/dbraw/zinc/06/16/48/1275061648.db2.gz VLSONUAGBVVEHP-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001577872106 1275061654 /nfs/dbraw/zinc/06/16/54/1275061654.db2.gz VLSONUAGBVVEHP-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO O=C(CN1CCCC1)N1C[C@@H](C[NH2+]CCc2cn[nH]n2)[C@H](C(F)(F)F)C1 ZINC001577922630 1275130108 /nfs/dbraw/zinc/13/01/08/1275130108.db2.gz FMXCHCBALSIECI-TZMCWYRMSA-N 1 3 374.411 0.670 20 0 FCADHO CCOCc1nnc(N2CCN(C3CCOCC3)CC2)n1CC1C[NH2+]C1 ZINC001578142354 1275441816 /nfs/dbraw/zinc/44/18/16/1275441816.db2.gz TVJAQGLMTLAANP-UHFFFAOYSA-N 1 3 364.494 0.335 20 0 FCADHO C[NH2+]CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001578720641 1276194138 /nfs/dbraw/zinc/19/41/38/1276194138.db2.gz JRHSZPLROAFANG-INIZCTEOSA-N 1 3 371.489 0.718 20 0 FCADHO C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578975712 1276526452 /nfs/dbraw/zinc/52/64/52/1276526452.db2.gz DXEJDQQCORYPCP-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578975712 1276526457 /nfs/dbraw/zinc/52/64/57/1276526457.db2.gz DXEJDQQCORYPCP-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578988221 1276562489 /nfs/dbraw/zinc/56/24/89/1276562489.db2.gz RYLYNDSEQANSCK-OTVXOJSOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578988221 1276562498 /nfs/dbraw/zinc/56/24/98/1276562498.db2.gz RYLYNDSEQANSCK-OTVXOJSOSA-N 1 3 357.462 0.803 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CC1=O ZINC001579020671 1276599791 /nfs/dbraw/zinc/59/97/91/1276599791.db2.gz HNHOKXLFNHWHAV-CVEARBPZSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579323103 1277140487 /nfs/dbraw/zinc/14/04/87/1277140487.db2.gz PPVAWOOUGATEDT-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579323103 1277140491 /nfs/dbraw/zinc/14/04/91/1277140491.db2.gz PPVAWOOUGATEDT-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579323103 1277140493 /nfs/dbraw/zinc/14/04/93/1277140493.db2.gz PPVAWOOUGATEDT-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579323103 1277140496 /nfs/dbraw/zinc/14/04/96/1277140496.db2.gz PPVAWOOUGATEDT-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326008 1277149267 /nfs/dbraw/zinc/14/92/67/1277149267.db2.gz HNTVXXMNYVFKPN-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326008 1277149276 /nfs/dbraw/zinc/14/92/76/1277149276.db2.gz HNTVXXMNYVFKPN-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327897 1277155863 /nfs/dbraw/zinc/15/58/63/1277155863.db2.gz YKFFTTQOYOVANM-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327897 1277155866 /nfs/dbraw/zinc/15/58/66/1277155866.db2.gz YKFFTTQOYOVANM-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327897 1277155868 /nfs/dbraw/zinc/15/58/68/1277155868.db2.gz YKFFTTQOYOVANM-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327897 1277155869 /nfs/dbraw/zinc/15/58/69/1277155869.db2.gz YKFFTTQOYOVANM-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338337 1277181344 /nfs/dbraw/zinc/18/13/44/1277181344.db2.gz KEDNLBUHBGOXPG-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338337 1277181345 /nfs/dbraw/zinc/18/13/45/1277181345.db2.gz KEDNLBUHBGOXPG-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338337 1277181348 /nfs/dbraw/zinc/18/13/48/1277181348.db2.gz KEDNLBUHBGOXPG-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338337 1277181349 /nfs/dbraw/zinc/18/13/49/1277181349.db2.gz KEDNLBUHBGOXPG-OIISXLGYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339436 1277183679 /nfs/dbraw/zinc/18/36/79/1277183679.db2.gz IERCHQKGRSVEOR-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339436 1277183680 /nfs/dbraw/zinc/18/36/80/1277183680.db2.gz IERCHQKGRSVEOR-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339436 1277183681 /nfs/dbraw/zinc/18/36/81/1277183681.db2.gz IERCHQKGRSVEOR-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339436 1277183682 /nfs/dbraw/zinc/18/36/82/1277183682.db2.gz IERCHQKGRSVEOR-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028300 1279264767 /nfs/dbraw/zinc/26/47/67/1279264767.db2.gz PCWWXMINZRYCMI-ZIAGYGMSSA-N 1 3 372.477 0.735 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030249 1279265568 /nfs/dbraw/zinc/26/55/68/1279265568.db2.gz QZRLFULNTGLOBW-CYBMUJFWSA-N 1 3 372.477 0.783 20 0 FCADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582611091 1281804708 /nfs/dbraw/zinc/80/47/08/1281804708.db2.gz HGZTUFBXWAFMTO-WKILWMFISA-N 1 3 367.457 0.699 20 0 FCADHO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001582611091 1281804710 /nfs/dbraw/zinc/80/47/10/1281804710.db2.gz HGZTUFBXWAFMTO-WKILWMFISA-N 1 3 367.457 0.699 20 0 FCADHO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000740 1282987398 /nfs/dbraw/zinc/98/73/98/1282987398.db2.gz RBGVQOQHPDRXPC-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000740 1282987413 /nfs/dbraw/zinc/98/74/13/1282987413.db2.gz RBGVQOQHPDRXPC-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175331 1284267094 /nfs/dbraw/zinc/26/70/94/1284267094.db2.gz LOOKPUWGVVKOMV-MBVDDHJVSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175331 1284267104 /nfs/dbraw/zinc/26/71/04/1284267104.db2.gz LOOKPUWGVVKOMV-MBVDDHJVSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176720 1284270476 /nfs/dbraw/zinc/27/04/76/1284270476.db2.gz UCQCEAGGSAQTKG-MBVDDHJVSA-N 1 3 369.473 0.971 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176720 1284270486 /nfs/dbraw/zinc/27/04/86/1284270486.db2.gz UCQCEAGGSAQTKG-MBVDDHJVSA-N 1 3 369.473 0.971 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176723 1284271645 /nfs/dbraw/zinc/27/16/45/1284271645.db2.gz UCQCEAGGSAQTKG-XVWMLYKFSA-N 1 3 369.473 0.971 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176723 1284271655 /nfs/dbraw/zinc/27/16/55/1284271655.db2.gz UCQCEAGGSAQTKG-XVWMLYKFSA-N 1 3 369.473 0.971 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178595 1284277343 /nfs/dbraw/zinc/27/73/43/1284277343.db2.gz WTDLGEKMXUTHAT-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178595 1284277348 /nfs/dbraw/zinc/27/73/48/1284277348.db2.gz WTDLGEKMXUTHAT-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178595 1284277360 /nfs/dbraw/zinc/27/73/60/1284277360.db2.gz WTDLGEKMXUTHAT-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178595 1284277367 /nfs/dbraw/zinc/27/73/67/1284277367.db2.gz WTDLGEKMXUTHAT-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO O[C@H](COc1ccccc1-c1nnn[n-]1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001593512337 1286190709 /nfs/dbraw/zinc/19/07/09/1286190709.db2.gz UVJYHFMWUWQQRH-HOTGVXAUSA-N 1 3 372.473 0.928 20 0 FCADHO O[C@H](COc1ccccc1-c1nn[n-]n1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001593512337 1286190712 /nfs/dbraw/zinc/19/07/12/1286190712.db2.gz UVJYHFMWUWQQRH-HOTGVXAUSA-N 1 3 372.473 0.928 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]21 ZINC001735996358 1289115408 /nfs/dbraw/zinc/11/54/08/1289115408.db2.gz RPOILRSEVXUNCO-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]21 ZINC001735996358 1289115411 /nfs/dbraw/zinc/11/54/11/1289115411.db2.gz RPOILRSEVXUNCO-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001604962173 1287820951 /nfs/dbraw/zinc/82/09/51/1287820951.db2.gz JIXWQGITKZEGKS-KRXQYRFLSA-N 1 3 372.429 0.112 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001604962173 1287820952 /nfs/dbraw/zinc/82/09/52/1287820952.db2.gz JIXWQGITKZEGKS-KRXQYRFLSA-N 1 3 372.429 0.112 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001604962173 1287820953 /nfs/dbraw/zinc/82/09/53/1287820953.db2.gz JIXWQGITKZEGKS-KRXQYRFLSA-N 1 3 372.429 0.112 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001604962173 1287820954 /nfs/dbraw/zinc/82/09/54/1287820954.db2.gz JIXWQGITKZEGKS-KRXQYRFLSA-N 1 3 372.429 0.112 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243996 1287936929 /nfs/dbraw/zinc/93/69/29/1287936929.db2.gz PEAKESLSZACPNT-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CCC1 ZINC001719342682 1288102776 /nfs/dbraw/zinc/10/27/76/1288102776.db2.gz NPHBHMHYFNKXPV-NVXWUHKLSA-N 1 3 362.518 0.872 20 0 FCADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104869 1288663194 /nfs/dbraw/zinc/66/31/94/1288663194.db2.gz RYGANCDULCIZQH-SJORKVTESA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104869 1288663196 /nfs/dbraw/zinc/66/31/96/1288663196.db2.gz RYGANCDULCIZQH-SJORKVTESA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104869 1288663197 /nfs/dbraw/zinc/66/31/97/1288663197.db2.gz RYGANCDULCIZQH-SJORKVTESA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104869 1288663199 /nfs/dbraw/zinc/66/31/99/1288663199.db2.gz RYGANCDULCIZQH-SJORKVTESA-N 1 3 360.462 0.727 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001692042333 1289375105 /nfs/dbraw/zinc/37/51/05/1289375105.db2.gz PCKAMKAQNRDHSN-WOSRLPQWSA-N 1 3 363.462 0.072 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001692087052 1289395517 /nfs/dbraw/zinc/39/55/17/1289395517.db2.gz WXEIYYBFDODEGI-SJORKVTESA-N 1 3 367.538 0.815 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001692087052 1289395527 /nfs/dbraw/zinc/39/55/27/1289395527.db2.gz WXEIYYBFDODEGI-SJORKVTESA-N 1 3 367.538 0.815 20 0 FCADHO CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001692092431 1289398978 /nfs/dbraw/zinc/39/89/78/1289398978.db2.gz PZIRQGJASXEWQP-CVEARBPZSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001698952032 1289539561 /nfs/dbraw/zinc/53/95/61/1289539561.db2.gz NLLOLIKYONMWLT-UKRRQHHQSA-N 1 3 367.494 0.082 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001698952032 1289539566 /nfs/dbraw/zinc/53/95/66/1289539566.db2.gz NLLOLIKYONMWLT-UKRRQHHQSA-N 1 3 367.494 0.082 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309248 1289549717 /nfs/dbraw/zinc/54/97/17/1289549717.db2.gz XJOQUNAVFOCFAS-BQWVTDQKSA-N 1 3 370.497 0.872 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309248 1289549720 /nfs/dbraw/zinc/54/97/20/1289549720.db2.gz XJOQUNAVFOCFAS-BQWVTDQKSA-N 1 3 370.497 0.872 20 0 FCADHO CC[C@@H](NC/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309308 1289550722 /nfs/dbraw/zinc/55/07/22/1289550722.db2.gz XRERHVOSVVQMMO-OCXQYPQTSA-N 1 3 358.486 0.858 20 0 FCADHO CC[C@@H](NC/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309308 1289550727 /nfs/dbraw/zinc/55/07/27/1289550727.db2.gz XRERHVOSVVQMMO-OCXQYPQTSA-N 1 3 358.486 0.858 20 0 FCADHO Cc1noc(CCCN2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001699898544 1289573402 /nfs/dbraw/zinc/57/34/02/1289573402.db2.gz OLMPFRCYBFJXDT-DDUZABMNSA-N 1 3 365.478 0.204 20 0 FCADHO Cc1noc(CCCN2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001699898544 1289573407 /nfs/dbraw/zinc/57/34/07/1289573407.db2.gz OLMPFRCYBFJXDT-DDUZABMNSA-N 1 3 365.478 0.204 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001701916472 1289716027 /nfs/dbraw/zinc/71/60/27/1289716027.db2.gz BOWMPYISRDHAKF-PRLABOORSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001701916472 1289716036 /nfs/dbraw/zinc/71/60/36/1289716036.db2.gz BOWMPYISRDHAKF-PRLABOORSA-N 1 3 350.507 0.917 20 0 FCADHO CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001614036303 1289733932 /nfs/dbraw/zinc/73/39/32/1289733932.db2.gz IAVQPIXSDYYCBP-JKSUJKDBSA-N 1 3 350.511 0.949 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)N(C)C2CC2)C2CC2)CC[N@@H+]1C ZINC001754441862 1290627667 /nfs/dbraw/zinc/62/76/67/1290627667.db2.gz SASVVMUDYXOQKI-YESZJQIVSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)N(C)C2CC2)C2CC2)CC[N@H+]1C ZINC001754441862 1290627674 /nfs/dbraw/zinc/62/76/74/1290627674.db2.gz SASVVMUDYXOQKI-YESZJQIVSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001653481983 1291347411 /nfs/dbraw/zinc/34/74/11/1291347411.db2.gz BUMJWSOLABFZBN-QFBILLFUSA-N 1 3 363.502 0.688 20 0 FCADHO COC(=O)c1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)nc1 ZINC001659452051 1291639339 /nfs/dbraw/zinc/63/93/39/1291639339.db2.gz NIWSARYVXVURKP-UHFFFAOYSA-N 1 3 362.474 0.754 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001661310191 1291687502 /nfs/dbraw/zinc/68/75/02/1291687502.db2.gz GIZLLQZEQNVKKH-YESZJQIVSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001661310191 1291687511 /nfs/dbraw/zinc/68/75/11/1291687511.db2.gz GIZLLQZEQNVKKH-YESZJQIVSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001688979605 1294558059 /nfs/dbraw/zinc/55/80/59/1294558059.db2.gz COCDCSMJLDLWRH-XHSDSOJGSA-N 1 3 359.536 0.778 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1C[C@@H](O)Cn1cccn1 ZINC001689338242 1294759257 /nfs/dbraw/zinc/75/92/57/1294759257.db2.gz KWIIJWNKGWTLKB-KURKYZTESA-N 1 3 363.506 0.699 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)NCc2ccco2)C2CC2)CC[N@@H+]1C ZINC001690151757 1294859959 /nfs/dbraw/zinc/85/99/59/1294859959.db2.gz SBFJISRAVJBHFX-KBRIMQKVSA-N 1 3 362.474 0.720 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)NCc2ccco2)C2CC2)CC[N@H+]1C ZINC001690151757 1294859972 /nfs/dbraw/zinc/85/99/72/1294859972.db2.gz SBFJISRAVJBHFX-KBRIMQKVSA-N 1 3 362.474 0.720 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001690151454 1294860480 /nfs/dbraw/zinc/86/04/80/1294860480.db2.gz MGOOTGRPLUBERX-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N2CCCCC2)C2CC2)CC[N@H+]1C ZINC001690151454 1294860492 /nfs/dbraw/zinc/86/04/92/1294860492.db2.gz MGOOTGRPLUBERX-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cc(C)on3)C2)CC[N@@H+]1C ZINC001690338360 1294865047 /nfs/dbraw/zinc/86/50/47/1294865047.db2.gz UHAMGMUSGBRMIN-LJISPDSOSA-N 1 3 363.462 0.889 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cc(C)on3)C2)CC[N@H+]1C ZINC001690338360 1294865051 /nfs/dbraw/zinc/86/50/51/1294865051.db2.gz UHAMGMUSGBRMIN-LJISPDSOSA-N 1 3 363.462 0.889 20 0 FCADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4CCNC5)CC[N@@H+]3C2)c1 ZINC001164867995 721065396 /nfs/dbraw/zinc/06/53/96/721065396.db2.gz LVFWTQQJFGJZOC-IRXDYDNUSA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4CCNC5)CC[N@H+]3C2)c1 ZINC001164867995 721065399 /nfs/dbraw/zinc/06/53/99/721065399.db2.gz LVFWTQQJFGJZOC-IRXDYDNUSA-N 1 3 366.469 0.997 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C2CC2)N(C)C)CC[N@@H+]1C ZINC001067536392 837465395 /nfs/dbraw/zinc/46/53/95/837465395.db2.gz WRLRKUFDMNCXNI-DJIMGWMZSA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)[C@@H](C2CC2)N(C)C)CC[N@H+]1C ZINC001067536392 837465398 /nfs/dbraw/zinc/46/53/98/837465398.db2.gz WRLRKUFDMNCXNI-DJIMGWMZSA-N 1 3 352.523 0.974 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCCN2C)n1 ZINC001070354314 837648762 /nfs/dbraw/zinc/64/87/62/837648762.db2.gz BYHMJDFFGWVKMK-IHRRRGAJSA-N 1 3 350.467 0.387 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)N(C)C ZINC001071083704 837729349 /nfs/dbraw/zinc/72/93/49/837729349.db2.gz HYBNLMRIWIPZCS-OIISXLGYSA-N 1 3 354.495 0.044 20 0 FCADHO CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061605287 836698586 /nfs/dbraw/zinc/69/85/86/836698586.db2.gz RLTFKRAEPANIMF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061605287 836698591 /nfs/dbraw/zinc/69/85/91/836698591.db2.gz RLTFKRAEPANIMF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982648 844361655 /nfs/dbraw/zinc/36/16/55/844361655.db2.gz BMTGHQKZBUOMAK-QBPKDAKJSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982648 844361666 /nfs/dbraw/zinc/36/16/66/844361666.db2.gz BMTGHQKZBUOMAK-QBPKDAKJSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046028 844394087 /nfs/dbraw/zinc/39/40/87/844394087.db2.gz IQKNCAYJOPVMEI-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046028 844394094 /nfs/dbraw/zinc/39/40/94/844394094.db2.gz IQKNCAYJOPVMEI-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C)N(C)C ZINC001102087908 844408937 /nfs/dbraw/zinc/40/89/37/844408937.db2.gz ATUNWLXEPVVLMS-BZUAXINKSA-N 1 3 355.527 0.718 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C)N(C)C ZINC001102087908 844408939 /nfs/dbraw/zinc/40/89/39/844408939.db2.gz ATUNWLXEPVVLMS-BZUAXINKSA-N 1 3 355.527 0.718 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001077923751 839234392 /nfs/dbraw/zinc/23/43/92/839234392.db2.gz BIXZQOFKGXMMKF-RCCFBDPRSA-N 1 3 353.507 0.837 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189162 844438958 /nfs/dbraw/zinc/43/89/58/844438958.db2.gz YZUBETJMIJAYMG-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1C)[NH+](C)C ZINC001102330247 844467106 /nfs/dbraw/zinc/46/71/06/844467106.db2.gz KMPFPTGRXQWCKY-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001081796529 840034883 /nfs/dbraw/zinc/03/48/83/840034883.db2.gz ZMCZZMNZNIUXLP-FGTMMUONSA-N 1 3 351.491 0.855 20 0 FCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001081796529 840034889 /nfs/dbraw/zinc/03/48/89/840034889.db2.gz ZMCZZMNZNIUXLP-FGTMMUONSA-N 1 3 351.491 0.855 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102473548 844514601 /nfs/dbraw/zinc/51/46/01/844514601.db2.gz FPLNWIOZHYXMII-HUUCEWRRSA-N 1 3 352.479 0.161 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102473548 844514604 /nfs/dbraw/zinc/51/46/04/844514604.db2.gz FPLNWIOZHYXMII-HUUCEWRRSA-N 1 3 352.479 0.161 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082557692 840464867 /nfs/dbraw/zinc/46/48/67/840464867.db2.gz ZMTVFZRCDPUNHY-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082557528 840465579 /nfs/dbraw/zinc/46/55/79/840465579.db2.gz LBCVYONWONLCAS-ZIAGYGMSSA-N 1 3 350.463 0.056 20 0 FCADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1=O ZINC001082561635 840466954 /nfs/dbraw/zinc/46/69/54/840466954.db2.gz GQGGXPLETHIBMY-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1)N(C)C ZINC001082589760 840477526 /nfs/dbraw/zinc/47/75/26/840477526.db2.gz NREYVMIWRWBMCX-BPLDGKMQSA-N 1 3 351.447 0.925 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082612614 840493027 /nfs/dbraw/zinc/49/30/27/840493027.db2.gz WTDUKCPCDPUCBZ-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082612614 840493037 /nfs/dbraw/zinc/49/30/37/840493037.db2.gz WTDUKCPCDPUCBZ-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514369 844546227 /nfs/dbraw/zinc/54/62/27/844546227.db2.gz VCESUQSNRNUQPN-BZUAXINKSA-N 1 3 356.511 0.163 20 0 FCADHO CCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514370 844546378 /nfs/dbraw/zinc/54/63/78/844546378.db2.gz VCESUQSNRNUQPN-OWCLPIDISA-N 1 3 356.511 0.163 20 0 FCADHO Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001082742662 840542905 /nfs/dbraw/zinc/54/29/05/840542905.db2.gz NZUBRVLAYZMSGH-SQWLQELKSA-N 1 3 366.531 0.997 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082742414 840543166 /nfs/dbraw/zinc/54/31/66/840543166.db2.gz DUDFCJMQIMDUKZ-ZMSDIMECSA-N 1 3 371.547 0.590 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001082835585 840579852 /nfs/dbraw/zinc/57/98/52/840579852.db2.gz JLQRNMRXEVGGBZ-DJIMGWMZSA-N 1 3 350.507 0.774 20 0 FCADHO C[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CC[C@@H]4CCCO4)C[C@@H]32)CC1 ZINC001083182960 840780365 /nfs/dbraw/zinc/78/03/65/840780365.db2.gz GIYQMLMLHRGLHB-OKZBNKHCSA-N 1 3 351.491 0.809 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001275845538 861225958 /nfs/dbraw/zinc/22/59/58/861225958.db2.gz YGCJUEYRPUNROC-IBGZPJMESA-N 1 3 351.539 0.110 20 0 FCADHO CN(C)CC[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001275845538 861225975 /nfs/dbraw/zinc/22/59/75/861225975.db2.gz YGCJUEYRPUNROC-IBGZPJMESA-N 1 3 351.539 0.110 20 0 FCADHO CC[NH+]1CCC(CN2CC[C@@]3(C2)CN([C@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877803 861241453 /nfs/dbraw/zinc/24/14/53/861241453.db2.gz GEMDJTVFZLFJKE-DNVCBOLYSA-N 1 3 351.491 0.999 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088011235 842499155 /nfs/dbraw/zinc/49/91/55/842499155.db2.gz FHIYJDIJKBAPLH-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088011235 842499160 /nfs/dbraw/zinc/49/91/60/842499160.db2.gz FHIYJDIJKBAPLH-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093277402 843419930 /nfs/dbraw/zinc/41/99/30/843419930.db2.gz HKHAJYUHHFYOQE-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086688 844699115 /nfs/dbraw/zinc/69/91/15/844699115.db2.gz MYJHJKFTUOIWQV-QGPMSJSTSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086688 844699121 /nfs/dbraw/zinc/69/91/21/844699121.db2.gz MYJHJKFTUOIWQV-QGPMSJSTSA-N 1 3 352.523 0.879 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396994 844750750 /nfs/dbraw/zinc/75/07/50/844750750.db2.gz SMZYWVHERALTDS-HZPDHXFCSA-N 1 3 356.511 0.165 20 0 FCADHO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398241 844751000 /nfs/dbraw/zinc/75/10/00/844751000.db2.gz JFCGSHZOFAMBHZ-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642196 844793361 /nfs/dbraw/zinc/79/33/61/844793361.db2.gz UFPGEQLSUKEROK-HZPDHXFCSA-N 1 3 356.511 0.165 20 0 FCADHO Cc1nnsc1CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643873 844794156 /nfs/dbraw/zinc/79/41/56/844794156.db2.gz UKTCPSRIEUFTES-UKRRQHHQSA-N 1 3 369.535 0.999 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103663695 844798027 /nfs/dbraw/zinc/79/80/27/844798027.db2.gz OOVGORXFTQRLNC-HZPDHXFCSA-N 1 3 353.511 0.428 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103663695 844798030 /nfs/dbraw/zinc/79/80/30/844798030.db2.gz OOVGORXFTQRLNC-HZPDHXFCSA-N 1 3 353.511 0.428 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663529 844798168 /nfs/dbraw/zinc/79/81/68/844798168.db2.gz GIKCHUFOURIZNZ-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663529 844798172 /nfs/dbraw/zinc/79/81/72/844798172.db2.gz GIKCHUFOURIZNZ-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001104322526 844894548 /nfs/dbraw/zinc/89/45/48/844894548.db2.gz OZQGKPFFYQMILD-RKVPGOIHSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001104682179 844932293 /nfs/dbraw/zinc/93/22/93/844932293.db2.gz FHIWRCWYIKSDBN-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001104680555 844932936 /nfs/dbraw/zinc/93/29/36/844932936.db2.gz SIOZMKBOCGZWLX-ARFHVFGLSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CCNCc1ccn(C)n1 ZINC001104908419 844958349 /nfs/dbraw/zinc/95/83/49/844958349.db2.gz WHPAZGSYTZABHO-HZPDHXFCSA-N 1 3 351.495 0.573 20 0 FCADHO CC(C)[C@H]1N(C(=O)Cc2c[nH]cn2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655568 845010399 /nfs/dbraw/zinc/01/03/99/845010399.db2.gz JFEMQFWIYVOLEK-AHCXZYCDSA-N 1 3 350.463 0.301 20 0 FCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249549 845142924 /nfs/dbraw/zinc/14/29/24/845142924.db2.gz KGXWJFBBEVPXMD-KYJSFNMBSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106249591 845143027 /nfs/dbraw/zinc/14/30/27/845143027.db2.gz LLSZXKNSINCWBN-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1)N(C)C ZINC001106633616 845209546 /nfs/dbraw/zinc/20/95/46/845209546.db2.gz PQBWBDRWGZENPS-DJIMGWMZSA-N 1 3 352.523 0.783 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)C1 ZINC001106665998 845218580 /nfs/dbraw/zinc/21/85/80/845218580.db2.gz DNMMWAGQGZMMFT-BZUAXINKSA-N 1 3 351.495 0.038 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CC3)[C@H](C)C2)C1 ZINC001106666769 845220671 /nfs/dbraw/zinc/22/06/71/845220671.db2.gz UJYDGATWIOTFMA-ZMSDIMECSA-N 1 3 350.507 0.539 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1)N(C)C ZINC001106674137 845223727 /nfs/dbraw/zinc/22/37/27/845223727.db2.gz UBEORUINBPBJRP-XYPHTWIQSA-N 1 3 350.511 0.919 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106908168 845284373 /nfs/dbraw/zinc/28/43/73/845284373.db2.gz TVFHBVCPEXPDPC-HLLBOEOZSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001107040482 845316889 /nfs/dbraw/zinc/31/68/89/845316889.db2.gz GCOJCEVSQUWRMA-OWCLPIDISA-N 1 3 359.536 0.445 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109673332 845710787 /nfs/dbraw/zinc/71/07/87/845710787.db2.gz IZVHKMNZHKYWND-MQYQWHSLSA-N 1 3 367.412 0.599 20 0 FCADHO C[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001111984772 846282288 /nfs/dbraw/zinc/28/22/88/846282288.db2.gz OAIKEAWPADJXKQ-RYRKJORJSA-N 1 3 371.547 0.734 20 0 FCADHO C[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001111984772 846282293 /nfs/dbraw/zinc/28/22/93/846282293.db2.gz OAIKEAWPADJXKQ-RYRKJORJSA-N 1 3 371.547 0.734 20 0 FCADHO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2)C(N)=O ZINC001112401623 846500955 /nfs/dbraw/zinc/50/09/55/846500955.db2.gz OUGHHSGICMOGQO-GMBSWORKSA-N 1 3 350.507 0.953 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)N(C)C ZINC001112413325 846501948 /nfs/dbraw/zinc/50/19/48/846501948.db2.gz IZERDPDAVFIMRQ-LNLFQRSKSA-N 1 3 355.523 0.800 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001112425305 846502941 /nfs/dbraw/zinc/50/29/41/846502941.db2.gz HGZVVLRHOFJDKB-UXLLHSPISA-N 1 3 359.536 0.590 20 0 FCADHO CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535800 846517212 /nfs/dbraw/zinc/51/72/12/846517212.db2.gz AXFDTRWBKATUBE-BBRMVZONSA-N 1 3 354.476 0.215 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112568061 846526356 /nfs/dbraw/zinc/52/63/56/846526356.db2.gz VSQQWZUHAYEDIL-FCEWJHQRSA-N 1 3 350.507 0.777 20 0 FCADHO COCCN1CCC(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001118195605 847319350 /nfs/dbraw/zinc/31/93/50/847319350.db2.gz OTLBLUOJGBLIQD-UHFFFAOYSA-N 1 3 350.467 0.352 20 0 FCADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nnnn1C ZINC001120453376 848207857 /nfs/dbraw/zinc/20/78/57/848207857.db2.gz QAQNPXIYOGWAHZ-GFCCVEGCSA-N 1 3 350.471 0.129 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652900 848731269 /nfs/dbraw/zinc/73/12/69/848731269.db2.gz GXAIGVDCWPTDQK-IIAWOOMASA-N 1 3 366.531 0.841 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCCc1cccs1 ZINC001127652900 848731272 /nfs/dbraw/zinc/73/12/72/848731272.db2.gz GXAIGVDCWPTDQK-IIAWOOMASA-N 1 3 366.531 0.841 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129837467 848902263 /nfs/dbraw/zinc/90/22/63/848902263.db2.gz DXYGFOYTIQLWRQ-PMPSAXMXSA-N 1 3 352.458 0.852 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894310 848910093 /nfs/dbraw/zinc/91/00/93/848910093.db2.gz ACXZSOQXPDGLMZ-BMFZPTHFSA-N 1 3 350.467 0.139 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140362 848951497 /nfs/dbraw/zinc/95/14/97/848951497.db2.gz WZXKALZFJMNXMF-CVEARBPZSA-N 1 3 350.467 0.142 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130734504 849030569 /nfs/dbraw/zinc/03/05/69/849030569.db2.gz UNWTWIDBPBXFRP-DOTOQJQBSA-N 1 3 351.495 0.681 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131020042 849071500 /nfs/dbraw/zinc/07/15/00/849071500.db2.gz JFOAXECEAQVKNW-HUUCEWRRSA-N 1 3 351.495 0.417 20 0 FCADHO FC(F)(F)c1nn(-c2ccc(N3CC[NH2+]CC3)nn2)c2c1CNCC2 ZINC001154847525 849817723 /nfs/dbraw/zinc/81/77/23/849817723.db2.gz NJVXOUOXPNKDPY-UHFFFAOYSA-N 1 3 353.352 0.736 20 0 FCADHO CN1CCC[C@H](CCNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001156381429 849904993 /nfs/dbraw/zinc/90/49/93/849904993.db2.gz QOCNNIVNQTWBCP-CYBMUJFWSA-N 1 3 367.519 0.712 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CN(C)CC2(C)C)CC1=O ZINC001156591049 849916419 /nfs/dbraw/zinc/91/64/19/849916419.db2.gz SAWVTHHCLYIYJC-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CN(C)CC2(C)C)CC1=O ZINC001156591049 849916432 /nfs/dbraw/zinc/91/64/32/849916432.db2.gz SAWVTHHCLYIYJC-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)C[C@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC001157309798 849962489 /nfs/dbraw/zinc/96/24/89/849962489.db2.gz LKFATKUNWIBATL-OLZOCXBDSA-N 1 3 358.483 0.041 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157522747 849977366 /nfs/dbraw/zinc/97/73/66/849977366.db2.gz YLZDAOGYOIWHQP-SNVBAGLBSA-N 1 3 358.368 0.513 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157522747 849977374 /nfs/dbraw/zinc/97/73/74/849977374.db2.gz YLZDAOGYOIWHQP-SNVBAGLBSA-N 1 3 358.368 0.513 20 0 FCADHO COC1(C)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001157689624 849987608 /nfs/dbraw/zinc/98/76/08/849987608.db2.gz VGGBSZIUPXAPKK-GJZGRUSLSA-N 1 3 354.495 0.461 20 0 FCADHO C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157857001 850000670 /nfs/dbraw/zinc/00/06/70/850000670.db2.gz YTZZOEWEQPXBPD-VGWMRTNUSA-N 1 3 354.495 0.053 20 0 FCADHO CCC[C@H](N)C(=O)N1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158384463 850044342 /nfs/dbraw/zinc/04/43/42/850044342.db2.gz SXQFUNDVCDYTRO-BPNCWPANSA-N 1 3 351.369 0.657 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422298 850048602 /nfs/dbraw/zinc/04/86/02/850048602.db2.gz JVLMLRDBNBEYLI-XUXIUFHCSA-N 1 3 374.576 0.268 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422297 850049132 /nfs/dbraw/zinc/04/91/32/850049132.db2.gz JVLMLRDBNBEYLI-XDQVBPFNSA-N 1 3 374.576 0.268 20 0 FCADHO CN1CCC(N(c2nc(Cl)cc(C(N)=O)n2)C2CC[NH2+]CC2)CC1 ZINC001158575010 850060607 /nfs/dbraw/zinc/06/06/07/850060607.db2.gz GAQMZCYCEXXGRD-UHFFFAOYSA-N 1 3 352.870 0.882 20 0 FCADHO Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC3)cn1 ZINC001158992252 850090536 /nfs/dbraw/zinc/09/05/36/850090536.db2.gz UHRHJIDMGNWOHZ-HIFRSBDPSA-N 1 3 367.519 0.304 20 0 FCADHO Cc1nc(CO[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])[C@@H]3CCCO[C@H]23)cs1 ZINC001159508610 850120592 /nfs/dbraw/zinc/12/05/92/850120592.db2.gz ZFFMEYQXCAQCQA-JJXSEGSLSA-N 1 3 368.503 0.793 20 0 FCADHO N[C@H](CCC[NH3+])NC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001159780377 850136275 /nfs/dbraw/zinc/13/62/75/850136275.db2.gz ZEYBSQNYRPWZDX-JTQLQIEISA-N 1 3 350.801 0.629 20 0 FCADHO COCCN(C(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1)C1CCN(C)CC1 ZINC001160441732 850173753 /nfs/dbraw/zinc/17/37/53/850173753.db2.gz WZQCUMSOSCMVJX-WMZOPIPTSA-N 1 3 352.523 0.630 20 0 FCADHO Cc1cnc(-n2cc(Br)ccc2=NCCN)nc1C1C[NH2+]C1 ZINC001160978180 850217560 /nfs/dbraw/zinc/21/75/60/850217560.db2.gz YWPLNDOOUNZVIP-UHFFFAOYSA-N 1 3 363.263 0.884 20 0 FCADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)N)C[C@H]2C1 ZINC001161175460 850237724 /nfs/dbraw/zinc/23/77/24/850237724.db2.gz MFJYCBOISBEUMU-YJNKXOJESA-N 1 3 352.479 0.097 20 0 FCADHO CS(=O)(=O)N1CCN(c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)n2)CC1 ZINC001162391572 850312485 /nfs/dbraw/zinc/31/24/85/850312485.db2.gz BZEMKWDKPAQBFP-UONOGXRCSA-N 1 3 353.492 0.845 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(CN)ncn1)C2 ZINC001165372616 850438370 /nfs/dbraw/zinc/43/83/70/850438370.db2.gz IQZCBIPMHMAJQZ-UONOGXRCSA-N 1 3 359.352 0.457 20 0 FCADHO COCCCN1CCC([NH+]2CCC3(CC2)C(=O)N(C)CCN3C)CC1 ZINC001172251934 850708972 /nfs/dbraw/zinc/70/89/72/850708972.db2.gz ZASNCWOSRMFNBT-UHFFFAOYSA-N 1 3 352.523 0.726 20 0 FCADHO COCCC[NH+]1CCC(N2CCC3(CC2)C(=O)N(C)CCN3C)CC1 ZINC001172251934 850708977 /nfs/dbraw/zinc/70/89/77/850708977.db2.gz ZASNCWOSRMFNBT-UHFFFAOYSA-N 1 3 352.523 0.726 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(CC)C3CC3)C2)CC[N@@H+]1C ZINC001182693588 851192630 /nfs/dbraw/zinc/19/26/30/851192630.db2.gz XVRBFKHCTSFDQA-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(CC)C3CC3)C2)CC[N@H+]1C ZINC001182693588 851192640 /nfs/dbraw/zinc/19/26/40/851192640.db2.gz XVRBFKHCTSFDQA-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001182692128 851193104 /nfs/dbraw/zinc/19/31/04/851193104.db2.gz DTRICXSWZFYCLZ-IXDOHACOSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001182692128 851193111 /nfs/dbraw/zinc/19/31/11/851193111.db2.gz DTRICXSWZFYCLZ-IXDOHACOSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)NC(=O)NCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238326 851882058 /nfs/dbraw/zinc/88/20/58/851882058.db2.gz LGEOYFYKGOZHED-BZUAXINKSA-N 1 3 353.511 0.567 20 0 FCADHO CC(C)NC(=O)NCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238326 851882061 /nfs/dbraw/zinc/88/20/61/851882061.db2.gz LGEOYFYKGOZHED-BZUAXINKSA-N 1 3 353.511 0.567 20 0 FCADHO CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1)OC ZINC001194290246 852573213 /nfs/dbraw/zinc/57/32/13/852573213.db2.gz SHZGAXWXCGSGFO-BRWVUGGUSA-N 1 3 350.463 0.494 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@H]2O)CCCC1 ZINC001195005670 852691162 /nfs/dbraw/zinc/69/11/62/852691162.db2.gz AHUFKNOGIUVNOQ-BRWVUGGUSA-N 1 3 353.507 0.839 20 0 FCADHO CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CC1 ZINC001196208054 852916003 /nfs/dbraw/zinc/91/60/03/852916003.db2.gz XUWFAELLRPCBEP-ZACQAIPSSA-N 1 3 355.523 0.941 20 0 FCADHO CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CC1 ZINC001196208054 852916006 /nfs/dbraw/zinc/91/60/06/852916006.db2.gz XUWFAELLRPCBEP-ZACQAIPSSA-N 1 3 355.523 0.941 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001199057437 853361300 /nfs/dbraw/zinc/36/13/00/853361300.db2.gz JSWDCJTZGWJSMT-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO CCCN(C)CC(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21 ZINC001205516528 853619213 /nfs/dbraw/zinc/61/92/13/853619213.db2.gz ISALHNMLMZDQEI-DLBZAZTESA-N 1 3 353.507 0.914 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001208073628 853891880 /nfs/dbraw/zinc/89/18/80/853891880.db2.gz MVPZNCOKLVRPMS-IXDOHACOSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001208073628 853891881 /nfs/dbraw/zinc/89/18/81/853891881.db2.gz MVPZNCOKLVRPMS-IXDOHACOSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001208073629 853891895 /nfs/dbraw/zinc/89/18/95/853891895.db2.gz MVPZNCOKLVRPMS-YESZJQIVSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001208073629 853891897 /nfs/dbraw/zinc/89/18/97/853891897.db2.gz MVPZNCOKLVRPMS-YESZJQIVSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485833 853940613 /nfs/dbraw/zinc/94/06/13/853940613.db2.gz SYGWWCDLPUYNTH-BPQIPLTHSA-N 1 3 355.523 0.798 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040391 854073200 /nfs/dbraw/zinc/07/32/00/854073200.db2.gz GEPCTUNHVQADNQ-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040391 854073206 /nfs/dbraw/zinc/07/32/06/854073206.db2.gz GEPCTUNHVQADNQ-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO CO[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730067 854739753 /nfs/dbraw/zinc/73/97/53/854739753.db2.gz CCMWVNAUUQOPCW-RRFJBIMHSA-N 1 3 363.449 0.815 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214780315 855011945 /nfs/dbraw/zinc/01/19/45/855011945.db2.gz UYWBSOVAVOVDGV-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214780315 855011950 /nfs/dbraw/zinc/01/19/50/855011950.db2.gz UYWBSOVAVOVDGV-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001214855742 855023522 /nfs/dbraw/zinc/02/35/22/855023522.db2.gz MLCFFUCVNVGHRX-UNEWFSDZSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214860962 855024364 /nfs/dbraw/zinc/02/43/64/855024364.db2.gz CFVKEUMDJHSLKB-RHSMWYFYSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001214997637 855049214 /nfs/dbraw/zinc/04/92/14/855049214.db2.gz KNNWVSLIYRLVPU-GDBMZVCRSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215056730 855059271 /nfs/dbraw/zinc/05/92/71/855059271.db2.gz DYKKUDKZVFPYFA-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C)C1CC1 ZINC001215540321 855126656 /nfs/dbraw/zinc/12/66/56/855126656.db2.gz LUQBSVVVZNQWNP-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215550565 855127708 /nfs/dbraw/zinc/12/77/08/855127708.db2.gz AYWKYCMJXQPAMN-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551625 855128167 /nfs/dbraw/zinc/12/81/67/855128167.db2.gz UZXMEBMUDHDSMB-HZPDHXFCSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215567633 855128983 /nfs/dbraw/zinc/12/89/83/855128983.db2.gz BAOTWPZPNRWOMN-HUUCEWRRSA-N 1 3 361.552 0.836 20 0 FCADHO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215685946 855136457 /nfs/dbraw/zinc/13/64/57/855136457.db2.gz WRLCKWIIOCEAGB-UKRRQHHQSA-N 1 3 356.492 0.602 20 0 FCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327197 855192678 /nfs/dbraw/zinc/19/26/78/855192678.db2.gz NOGYXSJKOZFHQO-JKIFEVAISA-N 1 3 350.507 0.679 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001217988418 855389254 /nfs/dbraw/zinc/38/92/54/855389254.db2.gz OIMSTTGKSALWFB-WDEREUQCSA-N 1 3 352.435 0.528 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1 ZINC001218249852 855409609 /nfs/dbraw/zinc/40/96/09/855409609.db2.gz ZYFMIDGABXMQOW-AXFHLTTASA-N 1 3 350.419 0.280 20 0 FCADHO Cc1cc(F)ncc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218548220 855437496 /nfs/dbraw/zinc/43/74/96/855437496.db2.gz FPRJBOBHYBBJIU-JSGCOSHPSA-N 1 3 351.426 0.915 20 0 FCADHO O=C(Nc1nc(Br)cn2ccnc12)[C@H]1C[NH2+]CC12CNC2 ZINC001218563351 855439119 /nfs/dbraw/zinc/43/91/19/855439119.db2.gz KUZXCDMATKVSNL-MRVPVSSYSA-N 1 3 351.208 0.239 20 0 FCADHO Nc1c(F)cnc(Br)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218570400 855441476 /nfs/dbraw/zinc/44/14/76/855441476.db2.gz CIDGWMMOWXKWIX-FUXBKTLASA-N 1 3 358.215 0.703 20 0 FCADHO O=C(Nc1cccn2c(Br)cnc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001218566632 855441681 /nfs/dbraw/zinc/44/16/81/855441681.db2.gz FOTHXDUDUGFNFX-VIFPVBQESA-N 1 3 350.220 0.844 20 0 FCADHO CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218649194 855457160 /nfs/dbraw/zinc/45/71/60/855457160.db2.gz AUOAZFWYWLXAQX-LURJTMIESA-N 1 3 350.206 0.965 20 0 FCADHO O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218697718 855466559 /nfs/dbraw/zinc/46/65/59/855466559.db2.gz BWFAJPTTYMGODS-LBPRGKRZSA-N 1 3 351.838 0.319 20 0 FCADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710249 855468668 /nfs/dbraw/zinc/46/86/68/855468668.db2.gz DGXDRHHTPZSRCL-VXGBXAGGSA-N 1 3 368.459 0.452 20 0 FCADHO COC(=O)c1cc(Br)cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218734397 855472452 /nfs/dbraw/zinc/47/24/52/855472452.db2.gz URQNXAVTMITGHW-VIFPVBQESA-N 1 3 369.219 0.378 20 0 FCADHO CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218893771 855492899 /nfs/dbraw/zinc/49/28/99/855492899.db2.gz HAMNBTABYJZWKG-ZDUSSCGKSA-N 1 3 356.492 0.935 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 ZINC001219052391 855527713 /nfs/dbraw/zinc/52/77/13/855527713.db2.gz YHTWPTYTWUDRRE-FGTMMUONSA-N 1 3 351.491 0.811 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280776 855615556 /nfs/dbraw/zinc/61/55/56/855615556.db2.gz LUIIEYYIJKQREF-CYBMUJFWSA-N 1 3 352.410 0.773 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288049 855617834 /nfs/dbraw/zinc/61/78/34/855617834.db2.gz HPNKVLHZOKRQHT-CYBMUJFWSA-N 1 3 352.410 0.972 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219737260 855792941 /nfs/dbraw/zinc/79/29/41/855792941.db2.gz RLXZFFQYLOEHBJ-HOTGVXAUSA-N 1 3 365.499 0.750 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220263586 856034037 /nfs/dbraw/zinc/03/40/37/856034037.db2.gz QCAMSFFGRJXBOD-HNNXBMFYSA-N 1 3 354.476 0.022 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001220454554 856134102 /nfs/dbraw/zinc/13/41/02/856134102.db2.gz ZOXMEZAIHKSLDV-HOTGVXAUSA-N 1 3 356.511 0.482 20 0 FCADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519380 856164346 /nfs/dbraw/zinc/16/43/46/856164346.db2.gz MIEABGRIWDQLGO-QGZVFWFLSA-N 1 3 351.491 0.962 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)CCNC1 ZINC001220522589 856166464 /nfs/dbraw/zinc/16/64/64/856166464.db2.gz AOOSSWFGBLAVDC-BBRMVZONSA-N 1 3 350.463 0.130 20 0 FCADHO CCCCCCOC(=O)CCC(=O)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220569914 856190312 /nfs/dbraw/zinc/19/03/12/856190312.db2.gz UOTOHVSUUPBURE-QGZVFWFLSA-N 1 3 355.479 0.902 20 0 FCADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001220898558 856363152 /nfs/dbraw/zinc/36/31/52/856363152.db2.gz NOKHUHUAQIDSPP-DOTOQJQBSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(CC(N)=O)CC3)CC2)CC1 ZINC001225639850 857052440 /nfs/dbraw/zinc/05/24/40/857052440.db2.gz JNTXLZJWFQASSO-UHFFFAOYSA-N 1 3 351.495 0.500 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226162284 857086741 /nfs/dbraw/zinc/08/67/41/857086741.db2.gz YXTJYKPLBVYYDN-MCIONIFRSA-N 1 3 353.467 0.071 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001226801485 857126679 /nfs/dbraw/zinc/12/66/79/857126679.db2.gz YMVQTKPKQLIIJW-JFIYKMOQSA-N 1 3 350.507 0.870 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001226831964 857127574 /nfs/dbraw/zinc/12/75/74/857127574.db2.gz WODOYCUNKLOXEG-USXIJHARSA-N 1 3 371.547 0.922 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001226922987 857132106 /nfs/dbraw/zinc/13/21/06/857132106.db2.gz XPSZBVBGORGGKM-KFWWJZLASA-N 1 3 362.540 0.139 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001227150634 857147067 /nfs/dbraw/zinc/14/70/67/857147067.db2.gz WWBQFJAFOAGRHI-JHJVBQTASA-N 1 3 355.483 0.317 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138022 857305743 /nfs/dbraw/zinc/30/57/43/857305743.db2.gz CFGALLJJNXVTMD-BZUAXINKSA-N 1 3 354.495 0.108 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138022 857305749 /nfs/dbraw/zinc/30/57/49/857305749.db2.gz CFGALLJJNXVTMD-BZUAXINKSA-N 1 3 354.495 0.108 20 0 FCADHO CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266503 857319521 /nfs/dbraw/zinc/31/95/21/857319521.db2.gz LDTWGZQMZAWCNT-HZPDHXFCSA-N 1 3 359.536 0.924 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001230284654 857322795 /nfs/dbraw/zinc/32/27/95/857322795.db2.gz PJCDHKQCUSGQCH-HZPDHXFCSA-N 1 3 354.495 0.202 20 0 FCADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284543 857322868 /nfs/dbraw/zinc/32/28/68/857322868.db2.gz KBNZDSWJPXOSMW-GVDBMIGSSA-N 1 3 359.511 0.368 20 0 FCADHO CCOC(=O)[C@]12CN(Cc3nc4c(s3)CNCC4)C[C@H]1C[NH2+]CC2 ZINC001236042155 857435780 /nfs/dbraw/zinc/43/57/80/857435780.db2.gz ZFMKWIHLDVKWMP-SJKOYZFVSA-N 1 3 350.488 0.763 20 0 FCADHO CCOC(=O)[C@@H]1CN(Cc2nc3c(s2)CNCC3)CCC12C[NH2+]C2 ZINC001237430656 857452951 /nfs/dbraw/zinc/45/29/51/857452951.db2.gz LQVXCXQJBTVRBO-LBPRGKRZSA-N 1 3 350.488 0.763 20 0 FCADHO COc1cc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)ccc1F ZINC001238242798 857465038 /nfs/dbraw/zinc/46/50/38/857465038.db2.gz RFHNIDIAYKGTKC-LBPRGKRZSA-N 1 3 357.451 0.987 20 0 FCADHO COc1cc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)ccc1F ZINC001238242798 857465044 /nfs/dbraw/zinc/46/50/44/857465044.db2.gz RFHNIDIAYKGTKC-LBPRGKRZSA-N 1 3 357.451 0.987 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2nsnc2c1 ZINC001238239026 857465455 /nfs/dbraw/zinc/46/54/55/857465455.db2.gz BHNHUTPUQSGNJB-LLVKDONJSA-N 1 3 367.500 0.844 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2nsnc2c1 ZINC001238239026 857465457 /nfs/dbraw/zinc/46/54/57/857465457.db2.gz BHNHUTPUQSGNJB-LLVKDONJSA-N 1 3 367.500 0.844 20 0 FCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001238879154 857485454 /nfs/dbraw/zinc/48/54/54/857485454.db2.gz INRNRZALEOATRK-UHFFFAOYSA-N 1 3 365.297 0.841 20 0 FCADHO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)c(Cl)c1 ZINC001238879393 857485467 /nfs/dbraw/zinc/48/54/67/857485467.db2.gz RCDNOCQXFCYQPJ-UHFFFAOYSA-N 1 3 362.883 0.905 20 0 FCADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)CCN)C[C@@H]21 ZINC001239083744 857511594 /nfs/dbraw/zinc/51/15/94/857511594.db2.gz HDAXTUWMBGPKHQ-BHYGNILZSA-N 1 3 352.504 0.902 20 0 FCADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)CCN)C[C@@H]21 ZINC001239083744 857511598 /nfs/dbraw/zinc/51/15/98/857511598.db2.gz HDAXTUWMBGPKHQ-BHYGNILZSA-N 1 3 352.504 0.902 20 0 FCADHO S=C(NCCCN1CCOCC1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364439 857526497 /nfs/dbraw/zinc/52/64/97/857526497.db2.gz XYAMDNMLPDIFHU-OAHLLOKOSA-N 1 3 355.552 0.047 20 0 FCADHO COCCc1ccc(OC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246008041 857564653 /nfs/dbraw/zinc/56/46/53/857564653.db2.gz MPPBUYGGAWISHQ-RDJZCZTQSA-N 1 3 353.463 0.188 20 0 FCADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246034509 857566321 /nfs/dbraw/zinc/56/63/21/857566321.db2.gz XGFDYUUIJLTKKB-HRCADAONSA-N 1 3 357.401 0.032 20 0 FCADHO COC(=O)[C@H](C)CN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279518434 862933844 /nfs/dbraw/zinc/93/38/44/862933844.db2.gz VKVYEKWAZGPTBV-CRAIPNDOSA-N 1 3 354.495 0.014 20 0 FCADHO CN1CC[NH+](C2CCN(C[C@H](O)COCC(F)(F)C(F)F)CC2)CC1 ZINC001251576409 857731505 /nfs/dbraw/zinc/73/15/05/857731505.db2.gz ZKBOQCBRMYELST-AWEZNQCLSA-N 1 3 371.419 0.976 20 0 FCADHO COCCN1CCOC[C@@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253388277 857883850 /nfs/dbraw/zinc/88/38/50/857883850.db2.gz DXMVZLNINNXHGH-MJGOQNOKSA-N 1 3 357.539 0.796 20 0 FCADHO C[C@@H](CC(=O)N1CCOCC1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326067 858068254 /nfs/dbraw/zinc/06/82/54/858068254.db2.gz IMHZPKIFLICWRN-KBPBESRZSA-N 1 3 358.483 0.803 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCN1CCCCC1)CC[NH2+]CC2 ZINC001261526069 858580078 /nfs/dbraw/zinc/58/00/78/858580078.db2.gz XRNIYRFGTGRPPQ-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001262614824 859018833 /nfs/dbraw/zinc/01/88/33/859018833.db2.gz RGDOZOWPDQRLEG-IRXDYDNUSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001262614824 859018840 /nfs/dbraw/zinc/01/88/40/859018840.db2.gz RGDOZOWPDQRLEG-IRXDYDNUSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822609 860272257 /nfs/dbraw/zinc/27/22/57/860272257.db2.gz ZXPZISCNDAXOGL-VQIMIIECSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822609 860272269 /nfs/dbraw/zinc/27/22/69/860272269.db2.gz ZXPZISCNDAXOGL-VQIMIIECSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1)N(C)C ZINC001273183607 860402760 /nfs/dbraw/zinc/40/27/60/860402760.db2.gz XCNDVNDHLRSARU-MRXNPFEDSA-N 1 3 352.523 0.975 20 0 FCADHO CC[C@@H](C)CN1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068471 860926732 /nfs/dbraw/zinc/92/67/32/860926732.db2.gz HPFQTNICNNRKSE-QGZVFWFLSA-N 1 3 352.523 0.583 20 0 FCADHO CCCC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275104688 860933760 /nfs/dbraw/zinc/93/37/60/860933760.db2.gz YHQWFRFCMWTRAV-LJQANCHMSA-N 1 3 352.523 0.727 20 0 FCADHO CCCC[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275104688 860933777 /nfs/dbraw/zinc/93/37/77/860933777.db2.gz YHQWFRFCMWTRAV-LJQANCHMSA-N 1 3 352.523 0.727 20 0 FCADHO CC[NH+]1CCC(CN2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280257922 863364836 /nfs/dbraw/zinc/36/48/36/863364836.db2.gz YCXRAIPPEYPSEG-NVXWUHKLSA-N 1 3 357.520 0.201 20 0 FCADHO C[C@@H]1CCN(CC(=O)N(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001284736414 864593825 /nfs/dbraw/zinc/59/38/25/864593825.db2.gz KEQCJACYIGSZTJ-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCN(CC(=O)N(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001284736414 864593838 /nfs/dbraw/zinc/59/38/38/864593838.db2.gz KEQCJACYIGSZTJ-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CN1CCN(CC2CN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C2)CC1 ZINC001298438277 866113937 /nfs/dbraw/zinc/11/39/37/866113937.db2.gz UETLFZBTFCKXJQ-SFHVURJKSA-N 1 3 366.575 0.910 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001350033023 866494709 /nfs/dbraw/zinc/49/47/09/866494709.db2.gz UPVBYTUTGJCUDV-UONOGXRCSA-N 1 3 354.495 0.378 20 0 FCADHO C[C@@H](O)CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317819174 867562243 /nfs/dbraw/zinc/56/22/43/867562243.db2.gz SKHFMGASELCQCV-KZNAEPCWSA-N 1 3 354.539 0.564 20 0 FCADHO C[C@@H](O)CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001317819174 867562254 /nfs/dbraw/zinc/56/22/54/867562254.db2.gz SKHFMGASELCQCV-KZNAEPCWSA-N 1 3 354.539 0.564 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cnn(C(C)(C)C)c2)CC[N@@H+]1C ZINC001320231248 868115369 /nfs/dbraw/zinc/11/53/69/868115369.db2.gz LGNBDKJQTCQGSH-FVQBIDKESA-N 1 3 351.495 0.545 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cnn(C(C)(C)C)c2)CC[N@H+]1C ZINC001320231248 868115376 /nfs/dbraw/zinc/11/53/76/868115376.db2.gz LGNBDKJQTCQGSH-FVQBIDKESA-N 1 3 351.495 0.545 20 0 FCADHO COC(=O)NC1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001320313189 868138696 /nfs/dbraw/zinc/13/86/96/868138696.db2.gz MANDDHAYGGNURV-UHFFFAOYSA-N 1 3 353.467 0.295 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001343434023 870423116 /nfs/dbraw/zinc/42/31/16/870423116.db2.gz LPLXVMBIYDGCTB-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001343434023 870423126 /nfs/dbraw/zinc/42/31/26/870423126.db2.gz LPLXVMBIYDGCTB-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001327406711 870847323 /nfs/dbraw/zinc/84/73/23/870847323.db2.gz HCBUPWOKDXHSAW-DOXZYTNZSA-N 1 3 350.507 0.810 20 0 FCADHO [NH3+]CCCOC1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001327472358 870893481 /nfs/dbraw/zinc/89/34/81/870893481.db2.gz QEVXIZXJFSDEOG-MRXNPFEDSA-N 1 3 354.495 0.779 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001346696765 871962742 /nfs/dbraw/zinc/96/27/42/871962742.db2.gz UYPKVDAYROPFRB-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001346696765 871962749 /nfs/dbraw/zinc/96/27/49/871962749.db2.gz UYPKVDAYROPFRB-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001332517415 873540620 /nfs/dbraw/zinc/54/06/20/873540620.db2.gz QSTZTVBZZZAXNU-QZTJIDSGSA-N 1 3 352.523 0.759 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC(CO)(CO)C3)CC2)CC1 ZINC001333424574 873949502 /nfs/dbraw/zinc/94/95/02/873949502.db2.gz KXVWBSGICOZFPU-UHFFFAOYSA-N 1 3 353.507 0.432 20 0 FCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918590 948853750 /nfs/dbraw/zinc/85/37/50/948853750.db2.gz OGODGQQMNSABIA-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574918590 948853772 /nfs/dbraw/zinc/85/37/72/948853772.db2.gz OGODGQQMNSABIA-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909610 950406450 /nfs/dbraw/zinc/40/64/50/950406450.db2.gz ZOKPAGBOKUCAGR-XJKSGUPXSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091719 951782383 /nfs/dbraw/zinc/78/23/83/951782383.db2.gz WUMIAEVGGZATSQ-GFCCVEGCSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575093016 951797152 /nfs/dbraw/zinc/79/71/52/951797152.db2.gz GURZKTMQIZMBTR-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575093016 951797158 /nfs/dbraw/zinc/79/71/58/951797158.db2.gz GURZKTMQIZMBTR-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104841 951888058 /nfs/dbraw/zinc/88/80/58/951888058.db2.gz FFTALRZZOAPBCE-AWEZNQCLSA-N 1 3 369.473 0.804 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104841 951888062 /nfs/dbraw/zinc/88/80/62/951888062.db2.gz FFTALRZZOAPBCE-AWEZNQCLSA-N 1 3 369.473 0.804 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410843288 529861286 /nfs/dbraw/zinc/86/12/86/529861286.db2.gz MOJCDMNRDOPGQW-INIZCTEOSA-N 1 3 350.507 0.729 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410843288 529861287 /nfs/dbraw/zinc/86/12/87/529861287.db2.gz MOJCDMNRDOPGQW-INIZCTEOSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472843 529861471 /nfs/dbraw/zinc/86/14/71/529861471.db2.gz SFUJYQUVFUXRQF-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472843 529861472 /nfs/dbraw/zinc/86/14/72/529861472.db2.gz SFUJYQUVFUXRQF-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000332061497 215086169 /nfs/dbraw/zinc/08/61/69/215086169.db2.gz YDMHQXLSEDKQRR-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000332061497 215086172 /nfs/dbraw/zinc/08/61/72/215086172.db2.gz YDMHQXLSEDKQRR-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000264991058 210034118 /nfs/dbraw/zinc/03/41/18/210034118.db2.gz BPMVBDQEZSDYSI-QZTJIDSGSA-N 1 3 358.486 0.787 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000332128373 215097964 /nfs/dbraw/zinc/09/79/64/215097964.db2.gz HNFHLJHXWPEKOF-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000332128373 215097966 /nfs/dbraw/zinc/09/79/66/215097966.db2.gz HNFHLJHXWPEKOF-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@H](C)C1 ZINC000333707694 215310816 /nfs/dbraw/zinc/31/08/16/215310816.db2.gz RTGCOIXDXGSVMU-MRLCAUJQSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000333707694 215310819 /nfs/dbraw/zinc/31/08/19/215310819.db2.gz RTGCOIXDXGSVMU-MRLCAUJQSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000333774619 215318850 /nfs/dbraw/zinc/31/88/50/215318850.db2.gz CPWZSRKPCFGHEO-IAGOWNOFSA-N 1 3 367.538 0.422 20 0 FCADHO CCCN1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000334053294 215340396 /nfs/dbraw/zinc/34/03/96/215340396.db2.gz SSXDBCNLEWHVML-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000334075750 215341554 /nfs/dbraw/zinc/34/15/54/215341554.db2.gz JDVGUBQMMRMLQT-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CN(CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000284963159 213257191 /nfs/dbraw/zinc/25/71/91/213257191.db2.gz JOJUGXJJRAVVGL-GOSISDBHSA-N 1 3 374.485 0.080 20 0 FCADHO CN(CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000284963159 213257194 /nfs/dbraw/zinc/25/71/94/213257194.db2.gz JOJUGXJJRAVVGL-GOSISDBHSA-N 1 3 374.485 0.080 20 0 FCADHO CCN(CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CC1 ZINC000246431168 209386568 /nfs/dbraw/zinc/38/65/68/209386568.db2.gz MUYDZHVZYSKZOX-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)C1CC1 ZINC000246431168 209386573 /nfs/dbraw/zinc/38/65/73/209386573.db2.gz MUYDZHVZYSKZOX-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CC[NH2+]CC1 ZINC000237354571 209351005 /nfs/dbraw/zinc/35/10/05/209351005.db2.gz RWIDRGASZNDAAF-AWEZNQCLSA-N 1 3 364.494 0.525 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(OCCN(C)C)c1 ZINC000194931710 209329750 /nfs/dbraw/zinc/32/97/50/209329750.db2.gz NQOWIRYXQDKWSP-IYBDPMFKSA-N 1 3 374.485 0.894 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(OCCN(C)C)c1 ZINC000194931710 209329751 /nfs/dbraw/zinc/32/97/51/209329751.db2.gz NQOWIRYXQDKWSP-IYBDPMFKSA-N 1 3 374.485 0.894 20 0 FCADHO CN(C(=O)NCCCN1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368360065 216237803 /nfs/dbraw/zinc/23/78/03/216237803.db2.gz GNHYCUPYCQMQCC-GOSISDBHSA-N 1 3 367.538 0.519 20 0 FCADHO CCN(C)C(=O)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000190438975 209273805 /nfs/dbraw/zinc/27/38/05/209273805.db2.gz RFTIIOXAHZUVGP-CQSZACIVSA-N 1 3 353.511 0.711 20 0 FCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000187948868 209221417 /nfs/dbraw/zinc/22/14/17/209221417.db2.gz OPVCSGOEVJMABR-RBUKOAKNSA-N 1 3 360.502 0.640 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)cc2C1 ZINC000415119090 245350403 /nfs/dbraw/zinc/35/04/03/245350403.db2.gz YQINYUKORPQDNL-NVXWUHKLSA-N 1 3 371.485 0.923 20 0 FCADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415331816 245390116 /nfs/dbraw/zinc/39/01/16/245390116.db2.gz PLXLNAXUSVEEAO-KRWDZBQOSA-N 1 3 371.485 0.635 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1=O ZINC000374061627 217092039 /nfs/dbraw/zinc/09/20/39/217092039.db2.gz OGSAPPUXWLWMNX-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375961362 217338144 /nfs/dbraw/zinc/33/81/44/217338144.db2.gz BGDBSNKXNNHGET-KRWDZBQOSA-N 1 3 350.507 0.528 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419154331 246019194 /nfs/dbraw/zinc/01/91/94/246019194.db2.gz RHCHIAATADTGKF-ZIAGYGMSSA-N 1 3 352.504 0.787 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419151141 246020113 /nfs/dbraw/zinc/02/01/13/246020113.db2.gz NDHSEYHILGBUGC-KGLIPLIRSA-N 1 3 350.488 0.636 20 0 FCADHO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)N2CCCC2)cc1 ZINC000419163488 246026187 /nfs/dbraw/zinc/02/61/87/246026187.db2.gz WRBWNRMQSQZWQB-ZWKOTPCHSA-N 1 3 374.485 0.353 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419132215 246006313 /nfs/dbraw/zinc/00/63/13/246006313.db2.gz DPCJBLAKSVXBBA-HNNXBMFYSA-N 1 3 350.463 0.343 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000419141828 246012672 /nfs/dbraw/zinc/01/26/72/246012672.db2.gz XKZZERTXMFAWIX-QGZVFWFLSA-N 1 3 374.485 0.583 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000419148148 246018327 /nfs/dbraw/zinc/01/83/27/246018327.db2.gz JUOQZXLVSCQQLY-GDBMZVCRSA-N 1 3 362.474 0.439 20 0 FCADHO Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)N2CCCC2)cc1 ZINC000419163482 246026809 /nfs/dbraw/zinc/02/68/09/246026809.db2.gz WRBWNRMQSQZWQB-MSOLQXFVSA-N 1 3 374.485 0.353 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419170575 246033394 /nfs/dbraw/zinc/03/33/94/246033394.db2.gz NWIZKTUCAFQYAG-IXDOHACOSA-N 1 3 350.507 0.825 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419187689 246042577 /nfs/dbraw/zinc/04/25/77/246042577.db2.gz JMAWFTRUQIOYEO-GOSISDBHSA-N 1 3 358.486 0.944 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223466 246061694 /nfs/dbraw/zinc/06/16/94/246061694.db2.gz DAMBXHVHIMUISW-JQHSSLGASA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224546 246065474 /nfs/dbraw/zinc/06/54/74/246065474.db2.gz FUUCNQFCYOZXJY-QFBILLFUSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419229093 246066743 /nfs/dbraw/zinc/06/67/43/246066743.db2.gz NNWHFQZIXBZGQO-BPQIPLTHSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419229093 246066748 /nfs/dbraw/zinc/06/67/48/246066748.db2.gz NNWHFQZIXBZGQO-BPQIPLTHSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000419199023 246047425 /nfs/dbraw/zinc/04/74/25/246047425.db2.gz DIVGMUVTTOLRRN-GDBMZVCRSA-N 1 3 362.474 0.439 20 0 FCADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419235293 246070635 /nfs/dbraw/zinc/07/06/35/246070635.db2.gz YTBGYZWSCZNOPZ-XDNAFOTISA-N 1 3 362.518 0.871 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419370820 246123045 /nfs/dbraw/zinc/12/30/45/246123045.db2.gz KECDTQHSGHWBEZ-KRWDZBQOSA-N 1 3 350.507 0.895 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419370479 246123359 /nfs/dbraw/zinc/12/33/59/246123359.db2.gz JPOUNNQGLHMESE-DLBZAZTESA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CCC(C)CC1 ZINC000419375439 246123381 /nfs/dbraw/zinc/12/33/81/246123381.db2.gz RMRJIRCKSKNEAJ-IXDOHACOSA-N 1 3 352.523 0.973 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419375809 246124518 /nfs/dbraw/zinc/12/45/18/246124518.db2.gz RGDORGRZXOPRRN-YOEHRIQHSA-N 1 3 358.486 0.398 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419380709 246124709 /nfs/dbraw/zinc/12/47/09/246124709.db2.gz XJIWOFILKVBWEY-OAHLLOKOSA-N 1 3 358.486 0.318 20 0 FCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412859 246146439 /nfs/dbraw/zinc/14/64/39/246146439.db2.gz DMFGQSBOTAKRBC-ZWKOTPCHSA-N 1 3 373.501 0.041 20 0 FCADHO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419415793 246149144 /nfs/dbraw/zinc/14/91/44/246149144.db2.gz GNVATMQLMRUJFD-ROUUACIJSA-N 1 3 358.486 0.937 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400997 246134304 /nfs/dbraw/zinc/13/43/04/246134304.db2.gz ABPAGAKGEPRDDG-FZKCQIBNSA-N 1 3 368.522 0.700 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400997 246134309 /nfs/dbraw/zinc/13/43/09/246134309.db2.gz ABPAGAKGEPRDDG-FZKCQIBNSA-N 1 3 368.522 0.700 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000419403818 246136686 /nfs/dbraw/zinc/13/66/86/246136686.db2.gz FFVKXDZVBOSCBA-UHFFFAOYSA-N 1 3 354.495 0.191 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419421532 246155512 /nfs/dbraw/zinc/15/55/12/246155512.db2.gz LMJWVCVGUHLFSY-HOTGVXAUSA-N 1 3 358.486 0.747 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419425344 246156578 /nfs/dbraw/zinc/15/65/78/246156578.db2.gz PJEAEAHTFBXBQB-QAPCUYQASA-N 1 3 358.486 0.747 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419427998 246159485 /nfs/dbraw/zinc/15/94/85/246159485.db2.gz SKFPMOQUEFHDSS-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419428500 246159561 /nfs/dbraw/zinc/15/95/61/246159561.db2.gz SWLCEOOYLQXIDK-GOSISDBHSA-N 1 3 358.486 0.891 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H](CN)C1 ZINC000419659788 246233285 /nfs/dbraw/zinc/23/32/85/246233285.db2.gz AWQTUOJEAIGLNB-CVEARBPZSA-N 1 3 356.511 0.576 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000419663896 246235133 /nfs/dbraw/zinc/23/51/33/246235133.db2.gz LBFQNJDQNTZXIF-HXUWFJFHSA-N 1 3 373.501 0.920 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419667022 246237146 /nfs/dbraw/zinc/23/71/46/246237146.db2.gz RLGFOFJRUOETOA-SJORKVTESA-N 1 3 371.485 0.767 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000419664396 246237437 /nfs/dbraw/zinc/23/74/37/246237437.db2.gz MESOFXHALIWVCU-HUUCEWRRSA-N 1 3 356.511 0.841 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701231 246256361 /nfs/dbraw/zinc/25/63/61/246256361.db2.gz YWGKSSVMZJCMAH-GZBFAFLISA-N 1 3 352.479 0.349 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419766197 246291515 /nfs/dbraw/zinc/29/15/15/246291515.db2.gz RGRZJBPBCCVLCV-QRVBRYPASA-N 1 3 370.497 0.834 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419799995 246298890 /nfs/dbraw/zinc/29/88/90/246298890.db2.gz GNIPBEOQXKNOSC-UHFFFAOYSA-N 1 3 354.495 0.333 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000419872738 246339110 /nfs/dbraw/zinc/33/91/10/246339110.db2.gz CULYUCRKNPLSRM-BPQIPLTHSA-N 1 3 374.485 0.419 20 0 FCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419843097 246317238 /nfs/dbraw/zinc/31/72/38/246317238.db2.gz WYAKYXACKCZOCF-GJZGRUSLSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419863128 246332628 /nfs/dbraw/zinc/33/26/28/246332628.db2.gz NKJFGINXAPUVLD-MRXNPFEDSA-N 1 3 350.438 0.569 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000419867791 246338024 /nfs/dbraw/zinc/33/80/24/246338024.db2.gz CXYDODCGKYAPFF-CABCVRRESA-N 1 3 350.463 0.864 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419930759 246375849 /nfs/dbraw/zinc/37/58/49/246375849.db2.gz BUFKRFFXFQUWOM-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419876397 246343355 /nfs/dbraw/zinc/34/33/55/246343355.db2.gz PNFNRWZLJDWTJP-UHFFFAOYSA-N 1 3 356.417 0.581 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000419876873 246344736 /nfs/dbraw/zinc/34/47/36/246344736.db2.gz PZQWJXSBCVNDGN-KRWDZBQOSA-N 1 3 361.490 0.620 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000419900435 246359610 /nfs/dbraw/zinc/35/96/10/246359610.db2.gz QYBCCESLCJEGTM-MRXNPFEDSA-N 1 3 362.474 0.454 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000419908555 246363077 /nfs/dbraw/zinc/36/30/77/246363077.db2.gz YQGIGBCKGAQRFU-JYJNAYRXSA-N 1 3 354.495 0.060 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423270421 246991413 /nfs/dbraw/zinc/99/14/13/246991413.db2.gz WQAIGCILMCUNFS-SFHVURJKSA-N 1 3 354.495 0.015 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC000423566854 247054996 /nfs/dbraw/zinc/05/49/96/247054996.db2.gz CJCKXLSVHNHXHC-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCC(C[NH3+])CC1)Cc1ccco1 ZINC000423638748 247088110 /nfs/dbraw/zinc/08/81/10/247088110.db2.gz IQKNNJYMCVNYSD-UHFFFAOYSA-N 1 3 350.463 0.757 20 0 FCADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423649511 247091515 /nfs/dbraw/zinc/09/15/15/247091515.db2.gz PMDIMDUQDYNQGS-FXAWDEMLSA-N 1 3 374.485 0.032 20 0 FCADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423649514 247092495 /nfs/dbraw/zinc/09/24/95/247092495.db2.gz PMDIMDUQDYNQGS-YLJYHZDGSA-N 1 3 374.485 0.032 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccco1 ZINC000423713451 247119939 /nfs/dbraw/zinc/11/99/39/247119939.db2.gz VTLJLMDMEBZWTR-INIZCTEOSA-N 1 3 366.462 0.136 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423740676 247134542 /nfs/dbraw/zinc/13/45/42/247134542.db2.gz GVCQBJDCPIVCDI-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054671 247288019 /nfs/dbraw/zinc/28/80/19/247288019.db2.gz FQHKSUDMBIZZRG-WNRNVDISSA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054671 247288021 /nfs/dbraw/zinc/28/80/21/247288021.db2.gz FQHKSUDMBIZZRG-WNRNVDISSA-N 1 3 362.518 0.872 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424542984 247256391 /nfs/dbraw/zinc/25/63/91/247256391.db2.gz JAIIGJVVRRPETE-OKZBNKHCSA-N 1 3 356.470 0.588 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(OCC[NH+](C)C)CC3)[C@@H]2C1 ZINC000425384203 247329894 /nfs/dbraw/zinc/32/98/94/247329894.db2.gz JMQKKSYWIQSINP-DOTOQJQBSA-N 1 3 366.506 0.108 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425387830 247330299 /nfs/dbraw/zinc/33/02/99/247330299.db2.gz NWYOZLSWPVBPPL-HYVNUMGLSA-N 1 3 350.507 0.728 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425389496 247330362 /nfs/dbraw/zinc/33/03/62/247330362.db2.gz PXQUYYOTIASVFA-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO COCC(C)(C)N1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000425651811 247359223 /nfs/dbraw/zinc/35/92/23/247359223.db2.gz MZNCEGHWFUQMAS-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000439240794 248116780 /nfs/dbraw/zinc/11/67/80/248116780.db2.gz XCWMBGJLBDDFLT-ZWKOTPCHSA-N 1 3 355.523 0.989 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000440972905 248227250 /nfs/dbraw/zinc/22/72/50/248227250.db2.gz NUHJHEBRGOCQBU-VYDXJSESSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000440972905 248227257 /nfs/dbraw/zinc/22/72/57/248227257.db2.gz NUHJHEBRGOCQBU-VYDXJSESSA-N 1 3 365.522 0.854 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443377472 248323652 /nfs/dbraw/zinc/32/36/52/248323652.db2.gz GLUGMCUWPMREPC-QGZVFWFLSA-N 1 3 354.539 0.922 20 0 FCADHO CN(CCNC(=O)C1CCN(C(=O)[C@H]2CC[NH2+]2)CC1)Cc1ccccc1 ZINC000444261217 248352964 /nfs/dbraw/zinc/35/29/64/248352964.db2.gz DRVWFBZZCHVRIN-GOSISDBHSA-N 1 3 358.486 0.835 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943510 250299195 /nfs/dbraw/zinc/29/91/95/250299195.db2.gz XSTPXJRPUNDFSO-BBWFWOEESA-N 1 3 370.538 0.506 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943510 250299196 /nfs/dbraw/zinc/29/91/96/250299196.db2.gz XSTPXJRPUNDFSO-BBWFWOEESA-N 1 3 370.538 0.506 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C)CC1 ZINC000481018340 250308227 /nfs/dbraw/zinc/30/82/27/250308227.db2.gz DPZINDSRKNULCE-WMZOPIPTSA-N 1 3 371.595 0.995 20 0 FCADHO C[C@H]1CN(CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016783 208029212 /nfs/dbraw/zinc/02/92/12/208029212.db2.gz GHGBEPFJZPULGV-GJZGRUSLSA-N 1 3 352.479 0.750 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000105730475 208203959 /nfs/dbraw/zinc/20/39/59/208203959.db2.gz DXHNUARZYPWPMO-UHFFFAOYSA-N 1 3 350.463 0.723 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616579 208388843 /nfs/dbraw/zinc/38/88/43/208388843.db2.gz FPYYVABKNWDODX-HOTGVXAUSA-N 1 3 367.538 0.911 20 0 FCADHO CO[C@H](C[NH3+])C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290253612 229618121 /nfs/dbraw/zinc/61/81/21/229618121.db2.gz WPPLVCSXAAGMOB-IAGOWNOFSA-N 1 3 361.490 0.416 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845321 674276747 /nfs/dbraw/zinc/27/67/47/674276747.db2.gz BRCZBDFJHRMOJI-INIZCTEOSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845321 674276749 /nfs/dbraw/zinc/27/67/49/674276749.db2.gz BRCZBDFJHRMOJI-INIZCTEOSA-N 1 3 352.523 0.929 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000933851473 674277091 /nfs/dbraw/zinc/27/70/91/674277091.db2.gz YOIVCWMCKRRFIQ-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363847425 488891965 /nfs/dbraw/zinc/89/19/65/488891965.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 1 3 355.527 0.375 20 0 FCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363847425 488891967 /nfs/dbraw/zinc/89/19/67/488891967.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 1 3 355.527 0.375 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921612 488892783 /nfs/dbraw/zinc/89/27/83/488892783.db2.gz OTJCVRARSNBJCL-QAPCUYQASA-N 1 3 363.506 0.940 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c(OCC[NH+](C)C)c1 ZINC000288146915 488950000 /nfs/dbraw/zinc/95/00/00/488950000.db2.gz LVXRKECWCUEORY-AWEZNQCLSA-N 1 3 350.463 0.940 20 0 FCADHO C[C@@H](Sc1nncn1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797713 488114258 /nfs/dbraw/zinc/11/42/58/488114258.db2.gz WPHPSYDIGVZVDX-CYBMUJFWSA-N 1 3 366.535 0.971 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(-n4cnnn4)c3)CC2)CC1 ZINC000050803050 488115856 /nfs/dbraw/zinc/11/58/56/488115856.db2.gz NPGLHARPYOZYJZ-UHFFFAOYSA-N 1 3 369.473 0.951 20 0 FCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000074371563 488391956 /nfs/dbraw/zinc/39/19/56/488391956.db2.gz IEOMREFNMYFIIQ-ZWKOTPCHSA-N 1 3 369.554 0.528 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)n1 ZINC000183345166 488392121 /nfs/dbraw/zinc/39/21/21/488392121.db2.gz MXZXSPFTQOMEAW-UHFFFAOYSA-N 1 3 364.494 0.621 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335641 491194986 /nfs/dbraw/zinc/19/49/86/491194986.db2.gz ZCZAQQJLLBQKSQ-YJBOKZPZSA-N 1 3 372.513 0.801 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335641 491194990 /nfs/dbraw/zinc/19/49/90/491194990.db2.gz ZCZAQQJLLBQKSQ-YJBOKZPZSA-N 1 3 372.513 0.801 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000554336684 491196199 /nfs/dbraw/zinc/19/61/99/491196199.db2.gz IJWPVQUBDCQYTB-PMPSAXMXSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000554336684 491196205 /nfs/dbraw/zinc/19/62/05/491196205.db2.gz IJWPVQUBDCQYTB-PMPSAXMXSA-N 1 3 354.495 0.155 20 0 FCADHO COC(=O)C1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000186859143 488408442 /nfs/dbraw/zinc/40/84/42/488408442.db2.gz XRBRRMJHVLPOBR-UHFFFAOYSA-N 1 3 352.479 0.797 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000077806921 488418216 /nfs/dbraw/zinc/41/82/16/488418216.db2.gz AOEIDEUTGQJSRG-UHFFFAOYSA-N 1 3 361.490 0.711 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246122394 488470019 /nfs/dbraw/zinc/47/00/19/488470019.db2.gz HJPIHTGQUBXOLD-YVSFHVDLSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246122394 488470021 /nfs/dbraw/zinc/47/00/21/488470021.db2.gz HJPIHTGQUBXOLD-YVSFHVDLSA-N 1 3 352.523 0.879 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246848732 488476565 /nfs/dbraw/zinc/47/65/65/488476565.db2.gz KSLBYWIPKQYZSP-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246848732 488476566 /nfs/dbraw/zinc/47/65/66/488476566.db2.gz KSLBYWIPKQYZSP-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288105 488486830 /nfs/dbraw/zinc/48/68/30/488486830.db2.gz JQJRKXHUVLFTQA-RTBURBONSA-N 1 3 360.502 0.860 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000249110657 488505725 /nfs/dbraw/zinc/50/57/25/488505725.db2.gz MMCFDDPBRRJGLV-DLBZAZTESA-N 1 3 369.554 0.357 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000554462038 491204201 /nfs/dbraw/zinc/20/42/01/491204201.db2.gz UGMJRGQCSLJDJW-BFYDXBDKSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000554462038 491204204 /nfs/dbraw/zinc/20/42/04/491204204.db2.gz UGMJRGQCSLJDJW-BFYDXBDKSA-N 1 3 350.507 0.966 20 0 FCADHO CCOCC[N@@H+]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000106386538 488513489 /nfs/dbraw/zinc/51/34/89/488513489.db2.gz OTYJLKFPZMIYRJ-RDGPPVDQSA-N 1 3 357.539 0.889 20 0 FCADHO CCOCC[N@H+]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000106386538 488513490 /nfs/dbraw/zinc/51/34/90/488513490.db2.gz OTYJLKFPZMIYRJ-RDGPPVDQSA-N 1 3 357.539 0.889 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000111865032 488532323 /nfs/dbraw/zinc/53/23/23/488532323.db2.gz GWXHNUBPDYCQRA-DLBZAZTESA-N 1 3 356.511 0.489 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757812 488534737 /nfs/dbraw/zinc/53/47/37/488534737.db2.gz JLLXFRLCABSKDO-SJORKVTESA-N 1 3 362.518 0.921 20 0 FCADHO O=C1[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1c1ccccc1 ZINC000114501883 488540890 /nfs/dbraw/zinc/54/08/90/488540890.db2.gz KGMYYAAQHVOGGU-IBGZPJMESA-N 1 3 360.502 0.772 20 0 FCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114587576 488541849 /nfs/dbraw/zinc/54/18/49/488541849.db2.gz UIFNEAUYKBEYET-GOSISDBHSA-N 1 3 369.554 0.550 20 0 FCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114587574 488541860 /nfs/dbraw/zinc/54/18/60/488541860.db2.gz UIFNEAUYKBEYET-SFHVURJKSA-N 1 3 369.554 0.550 20 0 FCADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000261999279 488545102 /nfs/dbraw/zinc/54/51/02/488545102.db2.gz PAZJAOGMTMHCGG-INIZCTEOSA-N 1 3 360.506 0.835 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C[NH+]1CCCCC1 ZINC000120164970 488560418 /nfs/dbraw/zinc/56/04/18/488560418.db2.gz FGAAJMRQGGVAST-OAHLLOKOSA-N 1 3 364.494 0.621 20 0 FCADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262477287 488572560 /nfs/dbraw/zinc/57/25/60/488572560.db2.gz HKRJNIYTHWBUOS-RBUKOAKNSA-N 1 3 360.502 0.423 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530928 488586577 /nfs/dbraw/zinc/58/65/77/488586577.db2.gz AMFDAZRWZRTGCF-CQSZACIVSA-N 1 3 360.462 0.511 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530928 488586579 /nfs/dbraw/zinc/58/65/79/488586579.db2.gz AMFDAZRWZRTGCF-CQSZACIVSA-N 1 3 360.462 0.511 20 0 FCADHO C(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000129565710 488632059 /nfs/dbraw/zinc/63/20/59/488632059.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 1 3 366.550 0.295 20 0 FCADHO C(C[N@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000129565710 488632061 /nfs/dbraw/zinc/63/20/61/488632061.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 1 3 366.550 0.295 20 0 FCADHO C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@H](CN2CCOCC2)C1 ZINC000129565710 488632063 /nfs/dbraw/zinc/63/20/63/488632063.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 1 3 366.550 0.295 20 0 FCADHO C(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)N1CC[C@H](CN2CCOCC2)C1 ZINC000129565710 488632066 /nfs/dbraw/zinc/63/20/66/488632066.db2.gz OHAMIXMWNOTAQZ-BGYRXZFFSA-N 1 3 366.550 0.295 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000130609452 488638757 /nfs/dbraw/zinc/63/87/57/488638757.db2.gz PFBKBKYGDNLUGI-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133305835 488658829 /nfs/dbraw/zinc/65/88/29/488658829.db2.gz MFFGTEPMPJNOMT-CABCVRRESA-N 1 3 362.478 0.468 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)n1 ZINC000133383346 488659346 /nfs/dbraw/zinc/65/93/46/488659346.db2.gz JBEYYLYUSQOXQX-UHFFFAOYSA-N 1 3 364.494 0.766 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000136331716 488677210 /nfs/dbraw/zinc/67/72/10/488677210.db2.gz FZIMAONYLVVNAZ-QGZVFWFLSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[N@H+](C)C1CC1 ZINC000138950120 488683140 /nfs/dbraw/zinc/68/31/40/488683140.db2.gz OAIRQSULTFEVIA-GOEBONIOSA-N 1 3 351.495 0.417 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[N@@H+](C)C1CC1 ZINC000138950120 488683143 /nfs/dbraw/zinc/68/31/43/488683143.db2.gz OAIRQSULTFEVIA-GOEBONIOSA-N 1 3 351.495 0.417 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000139006841 488683182 /nfs/dbraw/zinc/68/31/82/488683182.db2.gz CESDEZAOTZVBBT-KRWDZBQOSA-N 1 3 365.522 0.809 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000139006841 488683185 /nfs/dbraw/zinc/68/31/85/488683185.db2.gz CESDEZAOTZVBBT-KRWDZBQOSA-N 1 3 365.522 0.809 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NCCN(C)C)cc1NC(=O)CC[NH+](C)C ZINC000274333629 488698982 /nfs/dbraw/zinc/69/89/82/488698982.db2.gz JHXZTFRJPKNTEE-UHFFFAOYSA-N 1 3 363.462 0.502 20 0 FCADHO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000151231178 488702895 /nfs/dbraw/zinc/70/28/95/488702895.db2.gz KBUAKZJWAPZFCU-UHFFFAOYSA-N 1 3 355.527 0.111 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CNCc3ccccc32)cn1 ZINC000563083434 491214362 /nfs/dbraw/zinc/21/43/62/491214362.db2.gz MWOJGXVAXVBPPG-QGZVFWFLSA-N 1 3 370.457 0.386 20 0 FCADHO CCN(CCO)CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000274614829 488723421 /nfs/dbraw/zinc/72/34/21/488723421.db2.gz DIVOTPHOYJLBRM-UHFFFAOYSA-N 1 3 352.479 0.740 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000155230927 488752777 /nfs/dbraw/zinc/75/27/77/488752777.db2.gz UGXMUMKMDYIEEP-GJZGRUSLSA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000155230927 488752779 /nfs/dbraw/zinc/75/27/79/488752779.db2.gz UGXMUMKMDYIEEP-GJZGRUSLSA-N 1 3 362.478 0.326 20 0 FCADHO C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000167410836 488812254 /nfs/dbraw/zinc/81/22/54/488812254.db2.gz CROWUYSIROGSED-SJORKVTESA-N 1 3 350.507 0.779 20 0 FCADHO C[N@H+](CCN1CCN(CCCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000171743206 488826951 /nfs/dbraw/zinc/82/69/51/488826951.db2.gz HNDCHUWCNHUNBC-UHFFFAOYSA-N 1 3 361.490 0.711 20 0 FCADHO C[N@@H+](CCN1CCN(CCCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000171743206 488826952 /nfs/dbraw/zinc/82/69/52/488826952.db2.gz HNDCHUWCNHUNBC-UHFFFAOYSA-N 1 3 361.490 0.711 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[NH+]1CCCCC1 ZINC000182138765 488864176 /nfs/dbraw/zinc/86/41/76/488864176.db2.gz ZMZKUGKOKSQGSX-HNNXBMFYSA-N 1 3 364.494 0.764 20 0 FCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CCCOCC3)C2)CC1 ZINC000364734860 488994237 /nfs/dbraw/zinc/99/42/37/488994237.db2.gz LSMVISNCUXHLLQ-MRXNPFEDSA-N 1 3 353.511 0.176 20 0 FCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CCCOCC3)C2)CC1 ZINC000364734860 488994241 /nfs/dbraw/zinc/99/42/41/488994241.db2.gz LSMVISNCUXHLLQ-MRXNPFEDSA-N 1 3 353.511 0.176 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCN3CCCOCC3)C2)CC1 ZINC000364734860 488994244 /nfs/dbraw/zinc/99/42/44/488994244.db2.gz LSMVISNCUXHLLQ-MRXNPFEDSA-N 1 3 353.511 0.176 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364787382 489002206 /nfs/dbraw/zinc/00/22/06/489002206.db2.gz BWIOZTWMCGEHNE-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCN(C(=O)CC2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000554934398 491233038 /nfs/dbraw/zinc/23/30/38/491233038.db2.gz LYMYBWJNANLTAM-LJQANCHMSA-N 1 3 366.550 0.708 20 0 FCADHO CCN1CCN(C(=O)CC2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000554934398 491233040 /nfs/dbraw/zinc/23/30/40/491233040.db2.gz LYMYBWJNANLTAM-LJQANCHMSA-N 1 3 366.550 0.708 20 0 FCADHO CCN1CCN(C(=O)CC2CC[NH+](C[C@H](O)CN(C)C3CC3)CC2)CC1 ZINC000554934398 491233041 /nfs/dbraw/zinc/23/30/41/491233041.db2.gz LYMYBWJNANLTAM-LJQANCHMSA-N 1 3 366.550 0.708 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCN2CCNC2=O)CC1 ZINC000570317154 491233496 /nfs/dbraw/zinc/23/34/96/491233496.db2.gz ZYYOGAFRIPPZRY-UHFFFAOYSA-N 1 3 353.511 0.572 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCO1 ZINC000331385389 489204767 /nfs/dbraw/zinc/20/47/67/489204767.db2.gz KPDDSVVDSZAEND-BBWFWOEESA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332971337 489252364 /nfs/dbraw/zinc/25/23/64/489252364.db2.gz DJPNHLMGJXIIKJ-BGTYHANMSA-N 1 3 368.522 0.461 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000283676245 489290047 /nfs/dbraw/zinc/29/00/47/489290047.db2.gz FNWGIMACHUENJI-UHFFFAOYSA-N 1 3 365.478 0.096 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000370075981 489313653 /nfs/dbraw/zinc/31/36/53/489313653.db2.gz CUWUBCXMYRUHFK-IAGOWNOFSA-N 1 3 353.511 0.175 20 0 FCADHO COc1cc(CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)ccc1OCCN(C)C ZINC000370648209 489385720 /nfs/dbraw/zinc/38/57/20/489385720.db2.gz OOZFFQCSRFNRBH-LSDHHAIUSA-N 1 3 351.447 0.629 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000286605073 489408956 /nfs/dbraw/zinc/40/89/56/489408956.db2.gz XMCKZXHFSCDGEF-CQSZACIVSA-N 1 3 365.478 0.095 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371225174 489468686 /nfs/dbraw/zinc/46/86/86/489468686.db2.gz GVOTXSZTIRRPPK-ROUUACIJSA-N 1 3 369.554 0.622 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371225174 489468688 /nfs/dbraw/zinc/46/86/88/489468688.db2.gz GVOTXSZTIRRPPK-ROUUACIJSA-N 1 3 369.554 0.622 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000555570759 491256413 /nfs/dbraw/zinc/25/64/13/491256413.db2.gz MISICEVACBJEMN-SJORKVTESA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423093070 489492540 /nfs/dbraw/zinc/49/25/40/489492540.db2.gz FQKYPWPTDMLKTQ-LSDHHAIUSA-N 1 3 364.465 0.912 20 0 FCADHO COC[C@@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423096169 489492651 /nfs/dbraw/zinc/49/26/51/489492651.db2.gz HDDVOALTZMKNQO-GFCCVEGCSA-N 1 3 351.419 0.587 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423098580 489492909 /nfs/dbraw/zinc/49/29/09/489492909.db2.gz SIWQROWCKIYOQR-UHFFFAOYSA-N 1 3 364.465 0.913 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423162989 489497916 /nfs/dbraw/zinc/49/79/16/489497916.db2.gz LZXRPDOBPXPPDD-DLBZAZTESA-N 1 3 359.474 0.454 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000423158839 489498012 /nfs/dbraw/zinc/49/80/12/489498012.db2.gz DOBDISASQDWEKE-JKSUJKDBSA-N 1 3 362.474 0.546 20 0 FCADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423158713 489498096 /nfs/dbraw/zinc/49/80/96/489498096.db2.gz XBESRCXZBWYJLB-ZWKOTPCHSA-N 1 3 362.518 0.921 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423163269 489498331 /nfs/dbraw/zinc/49/83/31/489498331.db2.gz MJQZUKGLGGIBOT-KBAYOESNSA-N 1 3 373.501 0.700 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000423169708 489498713 /nfs/dbraw/zinc/49/87/13/489498713.db2.gz KFMBVXDKYZGURD-XJKSGUPXSA-N 1 3 350.463 0.674 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423170284 489498938 /nfs/dbraw/zinc/49/89/38/489498938.db2.gz XRTDQQXSGWTVLV-KRWDZBQOSA-N 1 3 364.465 0.926 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000423165165 489499207 /nfs/dbraw/zinc/49/92/07/489499207.db2.gz APBBRZUNULBWHG-GOEBONIOSA-N 1 3 364.490 0.922 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423203186 489502257 /nfs/dbraw/zinc/50/22/57/489502257.db2.gz MJZVSRVXGPMSSC-AWEZNQCLSA-N 1 3 354.401 0.415 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423212134 489503254 /nfs/dbraw/zinc/50/32/54/489503254.db2.gz LQHXLVYAVSVKJI-XHSDSOJGSA-N 1 3 354.495 0.141 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423273126 489509659 /nfs/dbraw/zinc/50/96/59/489509659.db2.gz ZWMFKSVVJNIEKG-YESZJQIVSA-N 1 3 368.522 0.389 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423273125 489509981 /nfs/dbraw/zinc/50/99/81/489509981.db2.gz ZWMFKSVVJNIEKG-ULQDDVLXSA-N 1 3 368.522 0.389 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423270420 489510156 /nfs/dbraw/zinc/51/01/56/489510156.db2.gz WQAIGCILMCUNFS-GOSISDBHSA-N 1 3 354.495 0.015 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000423282278 489511451 /nfs/dbraw/zinc/51/14/51/489511451.db2.gz WJBUAWDRFPBOQC-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1Cl ZINC000415376302 489516501 /nfs/dbraw/zinc/51/65/01/489516501.db2.gz YGKMQNBPHAZSTK-NSHDSACASA-N 1 3 354.838 0.779 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)c2)CC1 ZINC000415394346 489517665 /nfs/dbraw/zinc/51/76/65/489517665.db2.gz MGQVHWFRCIHGAC-MRXNPFEDSA-N 1 3 373.501 0.835 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2)CC1 ZINC000415431490 489520445 /nfs/dbraw/zinc/52/04/45/489520445.db2.gz GMCIOMPOGKNKHJ-CRAIPNDOSA-N 1 3 373.501 0.963 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000425823285 489532007 /nfs/dbraw/zinc/53/20/07/489532007.db2.gz VUDSHDYMUUKBKT-GOEBONIOSA-N 1 3 374.489 0.641 20 0 FCADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000415656501 489539580 /nfs/dbraw/zinc/53/95/80/489539580.db2.gz PDSVDLGBBKKAPG-HNNXBMFYSA-N 1 3 361.490 0.927 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415653298 489539602 /nfs/dbraw/zinc/53/96/02/489539602.db2.gz FWPFMBKGILZEDG-GFCCVEGCSA-N 1 3 354.426 0.819 20 0 FCADHO Cc1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)ccc1OCCN(C)C ZINC000415791002 489553181 /nfs/dbraw/zinc/55/31/81/489553181.db2.gz QEZNMYNGUBTKCU-CYBMUJFWSA-N 1 3 372.416 0.973 20 0 FCADHO [NH3+]CC[C@@H](NC(=O)NCC(=O)NCCN1CCCCCC1)C(F)(F)F ZINC000416050923 489567925 /nfs/dbraw/zinc/56/79/25/489567925.db2.gz SJWGXNDGLIDWEU-GFCCVEGCSA-N 1 3 367.416 0.558 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426550019 489574546 /nfs/dbraw/zinc/57/45/46/489574546.db2.gz VNRGSMIUZXRKLY-CVEARBPZSA-N 1 3 354.495 0.120 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426572307 489575482 /nfs/dbraw/zinc/57/54/82/489575482.db2.gz BCVFIFXNOZZMFO-IRXDYDNUSA-N 1 3 356.511 0.584 20 0 FCADHO COc1cc(NC(=O)[C@H]2CN3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000416335667 489583711 /nfs/dbraw/zinc/58/37/11/489583711.db2.gz WCJYUSQXOTVHBD-MRXNPFEDSA-N 1 3 362.474 0.964 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000427878803 489625782 /nfs/dbraw/zinc/62/57/82/489625782.db2.gz AUKBXCZDYOCWPI-GASCZTMLSA-N 1 3 360.458 0.586 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000427878803 489625784 /nfs/dbraw/zinc/62/57/84/489625784.db2.gz AUKBXCZDYOCWPI-GASCZTMLSA-N 1 3 360.458 0.586 20 0 FCADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810609 489629862 /nfs/dbraw/zinc/62/98/62/489629862.db2.gz QYGVCYUVYXYTQM-IAGOWNOFSA-N 1 3 361.490 0.786 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000417062666 489640379 /nfs/dbraw/zinc/64/03/79/489640379.db2.gz HDISRMOGSIWLOI-KRWDZBQOSA-N 1 3 361.490 0.745 20 0 FCADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417090715 489640653 /nfs/dbraw/zinc/64/06/53/489640653.db2.gz XZZIYNAPTIFWQK-NUJGCVRESA-N 1 3 367.538 0.909 20 0 FCADHO CCCN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000417427971 489651748 /nfs/dbraw/zinc/65/17/48/489651748.db2.gz KBOHSVGPCLBLBE-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417419657 489651929 /nfs/dbraw/zinc/65/19/29/489651929.db2.gz DGKXPMWGAYTAPA-CVEARBPZSA-N 1 3 353.511 0.618 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000417429829 489652305 /nfs/dbraw/zinc/65/23/05/489652305.db2.gz NXPJUURGAXYHJL-XHSDSOJGSA-N 1 3 353.511 0.616 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417429273 489652786 /nfs/dbraw/zinc/65/27/86/489652786.db2.gz MTKUCNFEGRZLRF-GVDBMIGSSA-N 1 3 365.522 0.616 20 0 FCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417449768 489654839 /nfs/dbraw/zinc/65/48/39/489654839.db2.gz ANIAPBZDYMADRK-LSDHHAIUSA-N 1 3 361.490 0.870 20 0 FCADHO C[C@@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000417449764 489655103 /nfs/dbraw/zinc/65/51/03/489655103.db2.gz ANIAPBZDYMADRK-CABCVRRESA-N 1 3 361.490 0.870 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000417479364 489655347 /nfs/dbraw/zinc/65/53/47/489655347.db2.gz UCYZZGXQMMYECV-INIZCTEOSA-N 1 3 361.490 0.777 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000570921396 491273235 /nfs/dbraw/zinc/27/32/35/491273235.db2.gz ZNJPQDAPEUWDBS-CGHHPOIWSA-N 1 3 355.523 0.424 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000570921396 491273238 /nfs/dbraw/zinc/27/32/38/491273238.db2.gz ZNJPQDAPEUWDBS-CGHHPOIWSA-N 1 3 355.523 0.424 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C1CC1 ZINC000417550472 489658087 /nfs/dbraw/zinc/65/80/87/489658087.db2.gz LKJKGYHBTQTEFO-HLLBOEOZSA-N 1 3 365.522 0.759 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000417648711 489660499 /nfs/dbraw/zinc/66/04/99/489660499.db2.gz OTICMQJQVKIXBV-KRWDZBQOSA-N 1 3 369.554 0.454 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417694771 489661674 /nfs/dbraw/zinc/66/16/74/489661674.db2.gz DVUVFEVTGJXBKV-HZPDHXFCSA-N 1 3 353.511 0.747 20 0 FCADHO CN(C)C1(CNC(=O)NCCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000417732582 489663289 /nfs/dbraw/zinc/66/32/89/489663289.db2.gz HKRGAENOBIXAAX-UHFFFAOYSA-N 1 3 359.518 0.680 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1=O ZINC000428956948 489668504 /nfs/dbraw/zinc/66/85/04/489668504.db2.gz ZICALADQDJVLME-QBPKDAKJSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265563 489683301 /nfs/dbraw/zinc/68/33/01/489683301.db2.gz VFHHJWDGVNDFCT-HNNXBMFYSA-N 1 3 362.478 0.689 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418377658 489694611 /nfs/dbraw/zinc/69/46/11/489694611.db2.gz HJHSJIBATLWJSW-IRXDYDNUSA-N 1 3 361.490 0.327 20 0 FCADHO COCCNCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000418513182 489702567 /nfs/dbraw/zinc/70/25/67/489702567.db2.gz URTKYLCWMIKPQU-CALCHBBNSA-N 1 3 355.527 0.422 20 0 FCADHO COCCNCCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000418513182 489702573 /nfs/dbraw/zinc/70/25/73/489702573.db2.gz URTKYLCWMIKPQU-CALCHBBNSA-N 1 3 355.527 0.422 20 0 FCADHO [NH3+]C[C@H](NC(=O)NCC(=O)NCCN1CCCCCC1)C1CCCC1 ZINC000418621972 489711908 /nfs/dbraw/zinc/71/19/08/489711908.db2.gz MLPOYDLFSOWAJU-INIZCTEOSA-N 1 3 353.511 0.795 20 0 FCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000418715159 489719619 /nfs/dbraw/zinc/71/96/19/489719619.db2.gz IGDNGBUVUAZFCI-JKSUJKDBSA-N 1 3 351.495 0.454 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418724682 489720389 /nfs/dbraw/zinc/72/03/89/489720389.db2.gz OLVXTOOWINVUCP-JKSUJKDBSA-N 1 3 353.511 0.700 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418760964 489723097 /nfs/dbraw/zinc/72/30/97/489723097.db2.gz FPZWVYDVFBRJHI-CVEARBPZSA-N 1 3 351.495 0.467 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCN1CCCCCC1 ZINC000418793676 489728454 /nfs/dbraw/zinc/72/84/54/489728454.db2.gz OWNNJXRMJMMXFZ-BRWVUGGUSA-N 1 3 365.522 0.666 20 0 FCADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418804883 489730832 /nfs/dbraw/zinc/73/08/32/489730832.db2.gz ZPBMXNADCCDOBY-IAGOWNOFSA-N 1 3 350.463 0.976 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000418819686 489737252 /nfs/dbraw/zinc/73/72/52/489737252.db2.gz KDTVOJPPXZMGNT-LSDHHAIUSA-N 1 3 354.495 0.189 20 0 FCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000376464558 489738481 /nfs/dbraw/zinc/73/84/81/489738481.db2.gz TUOKFLWRPXHKFF-ZDUSSCGKSA-N 1 3 363.380 0.863 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000430571654 489746874 /nfs/dbraw/zinc/74/68/74/489746874.db2.gz OQCBZBAGZOPEAU-ZDUSSCGKSA-N 1 3 350.467 0.129 20 0 FCADHO CC[NH2+]CC1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000430584271 489748643 /nfs/dbraw/zinc/74/86/43/489748643.db2.gz ORXIMYBCBYHQRK-GOSISDBHSA-N 1 3 354.539 0.781 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838032 489749052 /nfs/dbraw/zinc/74/90/52/489749052.db2.gz ACQGMCLPYUOHTF-OCCSQVGLSA-N 1 3 354.495 0.595 20 0 FCADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608517 489752265 /nfs/dbraw/zinc/75/22/65/489752265.db2.gz FSKFMFRFNSVPIR-FUHWJXTLSA-N 1 3 360.502 0.829 20 0 FCADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608518 489752641 /nfs/dbraw/zinc/75/26/41/489752641.db2.gz FSKFMFRFNSVPIR-SJLPKXTDSA-N 1 3 360.502 0.829 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418849759 489755170 /nfs/dbraw/zinc/75/51/70/489755170.db2.gz NFCQFZPPHRSTKC-KSZLIROESA-N 1 3 358.486 0.343 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000418852803 489757392 /nfs/dbraw/zinc/75/73/92/489757392.db2.gz RGVDFHLCVPXDCZ-GOSISDBHSA-N 1 3 358.486 0.702 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000418852804 489757636 /nfs/dbraw/zinc/75/76/36/489757636.db2.gz RGVDFHLCVPXDCZ-SFHVURJKSA-N 1 3 358.486 0.702 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000418855228 489758622 /nfs/dbraw/zinc/75/86/22/489758622.db2.gz ULQPMDXLAFUGBR-GOSISDBHSA-N 1 3 360.502 0.734 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418855852 489759776 /nfs/dbraw/zinc/75/97/76/489759776.db2.gz VSTMPFJOUZAVIN-QZTJIDSGSA-N 1 3 360.502 0.734 20 0 FCADHO Cc1c(C(=O)NC[C@@]2(N(C)C)CCSC2)nnn1C1CC[NH2+]CC1 ZINC000430681652 489764899 /nfs/dbraw/zinc/76/48/99/489764899.db2.gz FIRPZMWJVKHRMS-INIZCTEOSA-N 1 3 352.508 0.678 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000430711214 489765386 /nfs/dbraw/zinc/76/53/86/489765386.db2.gz DNLCGGZJTNYRJP-UAGQMJEPSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418871277 489768229 /nfs/dbraw/zinc/76/82/29/489768229.db2.gz VEQWAZLLLBEMKU-GJZGRUSLSA-N 1 3 354.495 0.189 20 0 FCADHO COCCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCN1C ZINC000474658070 489777739 /nfs/dbraw/zinc/77/77/39/489777739.db2.gz GKMAHEWWKAMKHH-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO COCCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCN1C ZINC000474658070 489777743 /nfs/dbraw/zinc/77/77/43/489777743.db2.gz GKMAHEWWKAMKHH-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459908583 489787285 /nfs/dbraw/zinc/78/72/85/489787285.db2.gz QPIISSOCBNGGGE-IAGOWNOFSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459908583 489787288 /nfs/dbraw/zinc/78/72/88/489787288.db2.gz QPIISSOCBNGGGE-IAGOWNOFSA-N 1 3 352.523 0.975 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3COCCN3CC(F)F)CC2)CC1 ZINC000376759129 489791849 /nfs/dbraw/zinc/79/18/49/489791849.db2.gz DOJUVLCQTNWWOA-MRXNPFEDSA-N 1 3 374.476 0.627 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000459921171 489793951 /nfs/dbraw/zinc/79/39/51/489793951.db2.gz OKDVNNFJNAIHPD-QGZVFWFLSA-N 1 3 367.538 0.025 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](CN)C1 ZINC000418939052 489797139 /nfs/dbraw/zinc/79/71/39/489797139.db2.gz QJHWBFRAMSTTIX-SJORKVTESA-N 1 3 368.522 0.724 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941813 489797870 /nfs/dbraw/zinc/79/78/70/489797870.db2.gz WKSRAIILFADLQZ-HOTGVXAUSA-N 1 3 368.522 0.988 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@@H+]1C ZINC000418942232 489797986 /nfs/dbraw/zinc/79/79/86/489797986.db2.gz ASEKDJQJENSZHO-ISWURRPUSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@H+]1C ZINC000418942232 489797990 /nfs/dbraw/zinc/79/79/90/489797990.db2.gz ASEKDJQJENSZHO-ISWURRPUSA-N 1 3 362.449 0.678 20 0 FCADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CCCNCC1 ZINC000418956859 489803585 /nfs/dbraw/zinc/80/35/85/489803585.db2.gz CUGUNNANNUGIPI-UHFFFAOYSA-N 1 3 374.485 0.599 20 0 FCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418956895 489803852 /nfs/dbraw/zinc/80/38/52/489803852.db2.gz SUTSJWDEXZCOJH-BRWVUGGUSA-N 1 3 368.522 0.504 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](CN)C1 ZINC000419000396 489813287 /nfs/dbraw/zinc/81/32/87/489813287.db2.gz OHXOTGWVLLEQMT-CVEARBPZSA-N 1 3 354.495 0.189 20 0 FCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419015692 489818962 /nfs/dbraw/zinc/81/89/62/489818962.db2.gz LJWBWJBIMYHMDW-QGZVFWFLSA-N 1 3 362.474 0.249 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419019387 489820268 /nfs/dbraw/zinc/82/02/68/489820268.db2.gz DIRBYJVLAISCSI-LXTVHRRPSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419019387 489820273 /nfs/dbraw/zinc/82/02/73/489820273.db2.gz DIRBYJVLAISCSI-LXTVHRRPSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022315 489821405 /nfs/dbraw/zinc/82/14/05/489821405.db2.gz IEOAJWLWHYWBBL-ILXRZTDVSA-N 1 3 368.522 0.842 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022315 489821408 /nfs/dbraw/zinc/82/14/08/489821408.db2.gz IEOAJWLWHYWBBL-ILXRZTDVSA-N 1 3 368.522 0.842 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419032709 489826320 /nfs/dbraw/zinc/82/63/20/489826320.db2.gz KKBCNPXPLWFJNN-CQSZACIVSA-N 1 3 356.536 0.708 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419034028 489827822 /nfs/dbraw/zinc/82/78/22/489827822.db2.gz YYIVQSXTFXNRSP-GJZGRUSLSA-N 1 3 354.495 0.108 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419056063 489837586 /nfs/dbraw/zinc/83/75/86/489837586.db2.gz KQXDHNFXTRCOFV-USXIJHARSA-N 1 3 362.474 0.103 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NCCN1CCCCCC1 ZINC000432431865 489841596 /nfs/dbraw/zinc/84/15/96/489841596.db2.gz FHHAYESQAFRTDN-IAGOWNOFSA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)NCCN1CCCCCC1 ZINC000432431865 489841602 /nfs/dbraw/zinc/84/16/02/489841602.db2.gz FHHAYESQAFRTDN-IAGOWNOFSA-N 1 3 365.522 0.905 20 0 FCADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000419065492 489841685 /nfs/dbraw/zinc/84/16/85/489841685.db2.gz ADNLKHJANXOIBE-QZTJIDSGSA-N 1 3 374.485 0.467 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084191 489847480 /nfs/dbraw/zinc/84/74/80/489847480.db2.gz UENKCJOGAZCAFA-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000460084191 489847484 /nfs/dbraw/zinc/84/74/84/489847484.db2.gz UENKCJOGAZCAFA-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000460253727 489858264 /nfs/dbraw/zinc/85/82/64/489858264.db2.gz JLGLEPHCJRNOEU-QGZVFWFLSA-N 1 3 356.559 0.147 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000460253727 489858266 /nfs/dbraw/zinc/85/82/66/489858266.db2.gz JLGLEPHCJRNOEU-QGZVFWFLSA-N 1 3 356.559 0.147 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000460253727 489858268 /nfs/dbraw/zinc/85/82/68/489858268.db2.gz JLGLEPHCJRNOEU-QGZVFWFLSA-N 1 3 356.559 0.147 20 0 FCADHO C[C@H]1CN(C2CCN(C(=O)CCCN3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120153 489866898 /nfs/dbraw/zinc/86/68/98/489866898.db2.gz XXGVYPZJVXMAME-INIZCTEOSA-N 1 3 352.523 0.901 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419979360 489872551 /nfs/dbraw/zinc/87/25/51/489872551.db2.gz PHFDLHUYSAKCBR-JKSUJKDBSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@@H](CNC(=O)C1(CC(=O)NC[C@H](C)[NH+](C)C)CCOCC1)N(C)C ZINC000494244503 489876852 /nfs/dbraw/zinc/87/68/52/489876852.db2.gz JGISTKQHYIMMSE-GJZGRUSLSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H](CNC(=O)CC1(C(=O)NC[C@H](C)[NH+](C)C)CCOCC1)N(C)C ZINC000494244503 489876855 /nfs/dbraw/zinc/87/68/55/489876855.db2.gz JGISTKQHYIMMSE-GJZGRUSLSA-N 1 3 356.511 0.306 20 0 FCADHO CCN1CCN(CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433349205 489877082 /nfs/dbraw/zinc/87/70/82/489877082.db2.gz BGWLKEYZRJWQTK-UHFFFAOYSA-N 1 3 354.520 0.664 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420025338 489884458 /nfs/dbraw/zinc/88/44/58/489884458.db2.gz BKAUGFKKEYIYHT-SOUVJXGZSA-N 1 3 352.479 0.302 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433470148 489888174 /nfs/dbraw/zinc/88/81/74/489888174.db2.gz YGWVWOTXMGEDSS-MSOLQXFVSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433470148 489888176 /nfs/dbraw/zinc/88/81/76/489888176.db2.gz YGWVWOTXMGEDSS-MSOLQXFVSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000420044154 489891628 /nfs/dbraw/zinc/89/16/28/489891628.db2.gz SOZLKFJDWWGGKJ-BPUTZDHNSA-N 1 3 366.506 0.406 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044154 489891632 /nfs/dbraw/zinc/89/16/32/489891632.db2.gz SOZLKFJDWWGGKJ-BPUTZDHNSA-N 1 3 366.506 0.406 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420043629 489891730 /nfs/dbraw/zinc/89/17/30/489891730.db2.gz SBKYOTANZRKLAD-CABCVRRESA-N 1 3 354.495 0.550 20 0 FCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420076097 489904498 /nfs/dbraw/zinc/90/44/98/489904498.db2.gz LJCCSAJPMMDDKW-KBPBESRZSA-N 1 3 354.495 0.188 20 0 FCADHO CN(CCCN(C)[C@@H]1CCCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377489218 489910306 /nfs/dbraw/zinc/91/03/06/489910306.db2.gz DBBCDGGNOPGSJW-MRXNPFEDSA-N 1 3 350.511 0.731 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097683 489911373 /nfs/dbraw/zinc/91/13/73/489911373.db2.gz AFQJTXLYLKSDQH-PBHICJAKSA-N 1 3 364.465 0.973 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420097064 489911516 /nfs/dbraw/zinc/91/15/16/489911516.db2.gz HMVXCDJHHYOWRB-MSOLQXFVSA-N 1 3 356.470 0.991 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132894 489924938 /nfs/dbraw/zinc/92/49/38/489924938.db2.gz SQPXQLRQPJCLBP-UKRRQHHQSA-N 1 3 352.504 0.895 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134463 489924998 /nfs/dbraw/zinc/92/49/98/489924998.db2.gz USVPXHQPDWSFOS-GOEBONIOSA-N 1 3 364.465 0.973 20 0 FCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420145322 489929785 /nfs/dbraw/zinc/92/97/85/489929785.db2.gz OPNNOHFHRVQWJT-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000420186094 489944494 /nfs/dbraw/zinc/94/44/94/489944494.db2.gz PSGCCYKIHWNTRJ-UHFFFAOYSA-N 1 3 370.538 0.698 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420201960 489950064 /nfs/dbraw/zinc/95/00/64/489950064.db2.gz NQWTUURJNRHJCX-DOTOQJQBSA-N 1 3 364.465 0.960 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420205958 489952127 /nfs/dbraw/zinc/95/21/27/489952127.db2.gz JMJDMXPJHPPHFT-HZMVEIRTSA-N 1 3 366.506 0.060 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420206595 489952483 /nfs/dbraw/zinc/95/24/83/489952483.db2.gz WGVVLUIYARNOKE-KRWDZBQOSA-N 1 3 366.506 0.206 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420206595 489952487 /nfs/dbraw/zinc/95/24/87/489952487.db2.gz WGVVLUIYARNOKE-KRWDZBQOSA-N 1 3 366.506 0.206 20 0 FCADHO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299039 489961693 /nfs/dbraw/zinc/96/16/93/489961693.db2.gz GDMROJIMIFUBJK-WNHJNPCNSA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299039 489961696 /nfs/dbraw/zinc/96/16/96/489961696.db2.gz GDMROJIMIFUBJK-WNHJNPCNSA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@H]1CC[C@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299039 489961699 /nfs/dbraw/zinc/96/16/99/489961699.db2.gz GDMROJIMIFUBJK-WNHJNPCNSA-N 1 3 363.502 0.780 20 0 FCADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327215 489963896 /nfs/dbraw/zinc/96/38/96/489963896.db2.gz LBCTZTXXCPPLML-DLBZAZTESA-N 1 3 358.490 0.447 20 0 FCADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000420348218 489965950 /nfs/dbraw/zinc/96/59/50/489965950.db2.gz KEOVGRRCLKXSDL-MNEFBYGVSA-N 1 3 360.502 0.420 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420420225 489974084 /nfs/dbraw/zinc/97/40/84/489974084.db2.gz JQFSKFQZHKKRSZ-OAHLLOKOSA-N 1 3 355.508 0.577 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000477625388 489978930 /nfs/dbraw/zinc/97/89/30/489978930.db2.gz IJUOCMHSFAJDFV-MRXNPFEDSA-N 1 3 370.538 0.696 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000477650998 489981556 /nfs/dbraw/zinc/98/15/56/489981556.db2.gz HVERXJFBGITYGU-INIZCTEOSA-N 1 3 368.522 0.450 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420467416 489981874 /nfs/dbraw/zinc/98/18/74/489981874.db2.gz XFJWTZUXAHJDJJ-HUUCEWRRSA-N 1 3 357.524 0.857 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477652883 489982101 /nfs/dbraw/zinc/98/21/01/489982101.db2.gz NTXXJRSLIHCBKH-MRXNPFEDSA-N 1 3 354.495 0.156 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000556082942 491293145 /nfs/dbraw/zinc/29/31/45/491293145.db2.gz WMTOPRKDQIKSDB-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000378132410 490014479 /nfs/dbraw/zinc/01/44/79/490014479.db2.gz QBUQGPFIQGGDSA-KRWDZBQOSA-N 1 3 361.490 0.418 20 0 FCADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CN4CCN3CCC4)nc2)CC1 ZINC000378303964 490043545 /nfs/dbraw/zinc/04/35/45/490043545.db2.gz HTEVDKVHNNOOTC-GOSISDBHSA-N 1 3 372.517 0.940 20 0 FCADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)nc2)CC1 ZINC000378303965 490043935 /nfs/dbraw/zinc/04/39/35/490043935.db2.gz HTEVDKVHNNOOTC-SFHVURJKSA-N 1 3 372.517 0.940 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496266589 490109269 /nfs/dbraw/zinc/10/92/69/490109269.db2.gz NVOSAYZXAIDKLW-INIZCTEOSA-N 1 3 367.538 0.071 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)CC1 ZINC000479670462 490113810 /nfs/dbraw/zinc/11/38/10/490113810.db2.gz CPIINDOHMIZWLV-MSOLQXFVSA-N 1 3 369.554 0.501 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)CC1 ZINC000479670464 490114256 /nfs/dbraw/zinc/11/42/56/490114256.db2.gz CPIINDOHMIZWLV-ROUUACIJSA-N 1 3 369.554 0.501 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000496365773 490115256 /nfs/dbraw/zinc/11/52/56/490115256.db2.gz UWHFMZVYEMRNJV-HNNXBMFYSA-N 1 3 369.554 0.221 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496393495 490115693 /nfs/dbraw/zinc/11/56/93/490115693.db2.gz IOTVRORBUDCGCT-QGZVFWFLSA-N 1 3 368.522 0.594 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000496393495 490115699 /nfs/dbraw/zinc/11/56/99/490115699.db2.gz IOTVRORBUDCGCT-QGZVFWFLSA-N 1 3 368.522 0.594 20 0 FCADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000390958487 490140324 /nfs/dbraw/zinc/14/03/24/490140324.db2.gz XEJQYRRNXNZBLP-INIZCTEOSA-N 1 3 358.446 0.258 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000556206281 491303028 /nfs/dbraw/zinc/30/30/28/491303028.db2.gz KPVHDOFIVGXRDC-RHSMWYFYSA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446288163 490158180 /nfs/dbraw/zinc/15/81/80/490158180.db2.gz NYPMYTILCQSSPA-FUHIMQAGSA-N 1 3 366.550 0.909 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000422126484 490178709 /nfs/dbraw/zinc/17/87/09/490178709.db2.gz WVNXXPQOFINNAS-IRXDYDNUSA-N 1 3 350.507 0.729 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401121 491305207 /nfs/dbraw/zinc/30/52/07/491305207.db2.gz PYNVTMUBRWYQIF-SJLPKXTDSA-N 1 3 362.522 0.811 20 0 FCADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577748 490197202 /nfs/dbraw/zinc/19/72/02/490197202.db2.gz YXKQFOULKVCNRR-FUHWJXTLSA-N 1 3 367.538 0.158 20 0 FCADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577748 490197210 /nfs/dbraw/zinc/19/72/10/490197210.db2.gz YXKQFOULKVCNRR-FUHWJXTLSA-N 1 3 367.538 0.158 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603726 490216336 /nfs/dbraw/zinc/21/63/36/490216336.db2.gz APVUMJYAYKPYEQ-IEBWSBKVSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603726 490216344 /nfs/dbraw/zinc/21/63/44/490216344.db2.gz APVUMJYAYKPYEQ-IEBWSBKVSA-N 1 3 354.539 0.877 20 0 FCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000507413865 490218689 /nfs/dbraw/zinc/21/86/89/490218689.db2.gz MVBSIBLFSOXYLU-GOSISDBHSA-N 1 3 369.554 0.408 20 0 FCADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000507413865 490218696 /nfs/dbraw/zinc/21/86/96/490218696.db2.gz MVBSIBLFSOXYLU-GOSISDBHSA-N 1 3 369.554 0.408 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H](N)CC(F)F)c2)C1 ZINC000498209461 490272433 /nfs/dbraw/zinc/27/24/33/490272433.db2.gz YQKBMYMEWUMGCU-GJZGRUSLSA-N 1 3 368.428 0.983 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H](N)CC(F)F)c2)C1 ZINC000498209461 490272441 /nfs/dbraw/zinc/27/24/41/490272441.db2.gz YQKBMYMEWUMGCU-GJZGRUSLSA-N 1 3 368.428 0.983 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H](N)CC(F)F)c2)C1 ZINC000498209463 490273312 /nfs/dbraw/zinc/27/33/12/490273312.db2.gz YQKBMYMEWUMGCU-LSDHHAIUSA-N 1 3 368.428 0.983 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H](N)CC(F)F)c2)C1 ZINC000498209463 490273316 /nfs/dbraw/zinc/27/33/16/490273316.db2.gz YQKBMYMEWUMGCU-LSDHHAIUSA-N 1 3 368.428 0.983 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC1 ZINC000564577692 491314879 /nfs/dbraw/zinc/31/48/79/491314879.db2.gz QMSWFIMWSSTZAS-UHFFFAOYSA-N 1 3 366.506 0.348 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCn3ccccc3=O)CC2)CC1 ZINC000533890139 490296413 /nfs/dbraw/zinc/29/64/13/490296413.db2.gz UUSIBYQBDYQARZ-UHFFFAOYSA-N 1 3 361.490 0.706 20 0 FCADHO CCN1CCC(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000521849512 490302988 /nfs/dbraw/zinc/30/29/88/490302988.db2.gz KWMQLGQKNSDWET-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)[C@H]3CCCO3)CC2)CC1 ZINC000447983761 490306765 /nfs/dbraw/zinc/30/67/65/490306765.db2.gz UCBXXOFLZLPPPL-DLBZAZTESA-N 1 3 354.495 0.384 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1(C)C ZINC000483423207 490317269 /nfs/dbraw/zinc/31/72/69/490317269.db2.gz XXXAAOWJVMESBP-HOTGVXAUSA-N 1 3 367.538 0.118 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[C@H]2C)CC1=O ZINC000498725947 490331695 /nfs/dbraw/zinc/33/16/95/490331695.db2.gz KTZRZPPJPYXVJH-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[C@H]2C)CC1=O ZINC000498725947 490331700 /nfs/dbraw/zinc/33/17/00/490331700.db2.gz KTZRZPPJPYXVJH-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000571620058 491319228 /nfs/dbraw/zinc/31/92/28/491319228.db2.gz VPMZAGCATNUAKP-QGZVFWFLSA-N 1 3 368.522 0.356 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000571642256 491320475 /nfs/dbraw/zinc/32/04/75/491320475.db2.gz KHAOXFBLYLTKOK-ZIAGYGMSSA-N 1 3 352.454 0.958 20 0 FCADHO C[C@@H](O)C[C@@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000468090416 490364596 /nfs/dbraw/zinc/36/45/96/490364596.db2.gz UTLIYHQVYRDVRJ-CRAIPNDOSA-N 1 3 368.522 0.726 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000522449025 490379305 /nfs/dbraw/zinc/37/93/05/490379305.db2.gz FAJDOKIZPSAGPY-IRXDYDNUSA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000522449025 490379310 /nfs/dbraw/zinc/37/93/10/490379310.db2.gz FAJDOKIZPSAGPY-IRXDYDNUSA-N 1 3 367.538 0.912 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)CC1=O ZINC000484111220 490386496 /nfs/dbraw/zinc/38/64/96/490386496.db2.gz KVLQSKVAZHLKPC-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000564725331 491322597 /nfs/dbraw/zinc/32/25/97/491322597.db2.gz AHQUGGGYWSRSKS-SFHVURJKSA-N 1 3 374.485 0.128 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423518 490425742 /nfs/dbraw/zinc/42/57/42/490425742.db2.gz AUXUSDVKDZTUAA-KRWDZBQOSA-N 1 3 370.538 0.976 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423518 490425745 /nfs/dbraw/zinc/42/57/45/490425745.db2.gz AUXUSDVKDZTUAA-KRWDZBQOSA-N 1 3 370.538 0.976 20 0 FCADHO COCCN1CC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000534963088 490430481 /nfs/dbraw/zinc/43/04/81/490430481.db2.gz SMBJPFYFQZXDCA-INIZCTEOSA-N 1 3 365.478 0.542 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535007802 490435775 /nfs/dbraw/zinc/43/57/75/490435775.db2.gz NMLIFYNPRMNPIL-GUDVDZBRSA-N 1 3 363.550 0.393 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915764 490503728 /nfs/dbraw/zinc/50/37/28/490503728.db2.gz KAQMWNAKTJDUFE-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915764 490503733 /nfs/dbraw/zinc/50/37/33/490503733.db2.gz KAQMWNAKTJDUFE-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423059957 490534055 /nfs/dbraw/zinc/53/40/55/490534055.db2.gz GYKYSUSRKBMXKY-INIZCTEOSA-N 1 3 368.522 0.247 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541828 490540656 /nfs/dbraw/zinc/54/06/56/490540656.db2.gz ZOXADSKHXSDUHD-QGZVFWFLSA-N 1 3 358.486 0.835 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541828 490540661 /nfs/dbraw/zinc/54/06/61/490540661.db2.gz ZOXADSKHXSDUHD-QGZVFWFLSA-N 1 3 358.486 0.835 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000500779313 490552666 /nfs/dbraw/zinc/55/26/66/490552666.db2.gz JAJAUDCUFRNDCK-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC000500785842 490553262 /nfs/dbraw/zinc/55/32/62/490553262.db2.gz QVFDOMXUGIGFBB-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC000500785842 490553269 /nfs/dbraw/zinc/55/32/69/490553269.db2.gz QVFDOMXUGIGFBB-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000524783704 490560345 /nfs/dbraw/zinc/56/03/45/490560345.db2.gz XHFAULZIBSHQJG-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000524783704 490560347 /nfs/dbraw/zinc/56/03/47/490560347.db2.gz XHFAULZIBSHQJG-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO O=C(COC1CC[NH2+]CC1)NCCCN1CCN(c2ccncc2)CC1 ZINC000564914323 491336185 /nfs/dbraw/zinc/33/61/85/491336185.db2.gz AZCODQJZKXCAEL-UHFFFAOYSA-N 1 3 361.490 0.479 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000524932939 490570383 /nfs/dbraw/zinc/57/03/83/490570383.db2.gz ARZWBUJFTOERQE-UHFFFAOYSA-N 1 3 363.506 0.780 20 0 FCADHO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410159 490592529 /nfs/dbraw/zinc/59/25/29/490592529.db2.gz MYOZHKNERLXMCI-GOEBONIOSA-N 1 3 351.495 0.523 20 0 FCADHO C[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410159 490592535 /nfs/dbraw/zinc/59/25/35/490592535.db2.gz MYOZHKNERLXMCI-GOEBONIOSA-N 1 3 351.495 0.523 20 0 FCADHO CC(C)NC(=O)CN(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000501267360 490593316 /nfs/dbraw/zinc/59/33/16/490593316.db2.gz UZYCLCWALGLVCM-UHFFFAOYSA-N 1 3 367.538 0.118 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000571941755 491339110 /nfs/dbraw/zinc/33/91/10/491339110.db2.gz XVZPTKXLVYPBAW-YYIAUSFCSA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000571941755 491339111 /nfs/dbraw/zinc/33/91/11/491339111.db2.gz XVZPTKXLVYPBAW-YYIAUSFCSA-N 1 3 365.522 0.698 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCc1nncn1C ZINC000550008542 490619585 /nfs/dbraw/zinc/61/95/85/490619585.db2.gz BYITYVNULSVBHW-OAHLLOKOSA-N 1 3 352.483 0.206 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCc1nncn1C ZINC000550008542 490619589 /nfs/dbraw/zinc/61/95/89/490619589.db2.gz BYITYVNULSVBHW-OAHLLOKOSA-N 1 3 352.483 0.206 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)c2)CC1 ZINC000556987685 491346614 /nfs/dbraw/zinc/34/66/14/491346614.db2.gz KZMTWKXGDTWSPR-MRXNPFEDSA-N 1 3 373.501 0.964 20 0 FCADHO CCn1ncc2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc21 ZINC000527123931 490701177 /nfs/dbraw/zinc/70/11/77/490701177.db2.gz LEPPQTCYYXPQOI-UHFFFAOYSA-N 1 3 374.489 0.947 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000502419535 490703954 /nfs/dbraw/zinc/70/39/54/490703954.db2.gz OMPNFHCUUOJUPV-FQBWVUSXSA-N 1 3 355.523 0.642 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000502419535 490703956 /nfs/dbraw/zinc/70/39/56/490703956.db2.gz OMPNFHCUUOJUPV-FQBWVUSXSA-N 1 3 355.523 0.642 20 0 FCADHO COCCCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487671686 490724492 /nfs/dbraw/zinc/72/44/92/490724492.db2.gz GRQDWROGCIWXCC-IAGOWNOFSA-N 1 3 356.511 0.632 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483857 490734002 /nfs/dbraw/zinc/73/40/02/490734002.db2.gz LZNAEISOCFZKCW-CVEARBPZSA-N 1 3 370.538 0.648 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483861 490734032 /nfs/dbraw/zinc/73/40/32/490734032.db2.gz LZNAEISOCFZKCW-JKSUJKDBSA-N 1 3 370.538 0.648 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000514864587 490794344 /nfs/dbraw/zinc/79/43/44/490794344.db2.gz HSVMSWUTRPRARE-SJLPKXTDSA-N 1 3 372.517 0.978 20 0 FCADHO COCCN(C)C[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000514947260 490799809 /nfs/dbraw/zinc/79/98/09/490799809.db2.gz SSXTZRJKJQURDX-SFHVURJKSA-N 1 3 356.555 0.275 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)CCN(C)C3)CC2)CC1 ZINC000565194384 491359010 /nfs/dbraw/zinc/35/90/10/491359010.db2.gz HKYQAIQFLGZJBH-IBGZPJMESA-N 1 3 352.523 0.366 20 0 FCADHO CC[NH+]1CCC(CNC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000515471504 490827407 /nfs/dbraw/zinc/82/74/07/490827407.db2.gz HPHZJCYRHMQJFW-UHFFFAOYSA-N 1 3 369.554 0.408 20 0 FCADHO CN1CC=C(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000540561924 490828312 /nfs/dbraw/zinc/82/83/12/490828312.db2.gz DPOSJGNRBNQZJS-UHFFFAOYSA-N 1 3 360.458 0.944 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000515819345 490839244 /nfs/dbraw/zinc/83/92/44/490839244.db2.gz OKRAMZNIKZJALR-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557237401 491360997 /nfs/dbraw/zinc/36/09/97/491360997.db2.gz QXUGOJDTENBZRD-VNTMZGSJSA-N 1 3 369.513 0.806 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529308939 490849325 /nfs/dbraw/zinc/84/93/25/490849325.db2.gz WUUJYOVGPWLAJB-HNNXBMFYSA-N 1 3 351.495 0.513 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000516857398 490881088 /nfs/dbraw/zinc/88/10/88/490881088.db2.gz GPCJNYSORMSXGF-FQEVSTJZSA-N 1 3 356.470 0.589 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000516857398 490881090 /nfs/dbraw/zinc/88/10/90/490881090.db2.gz GPCJNYSORMSXGF-FQEVSTJZSA-N 1 3 356.470 0.589 20 0 FCADHO CN(C)CCn1c2cc(NC(=O)COC3CC[NH2+]CC3)ccc2oc1=O ZINC000516924225 490884979 /nfs/dbraw/zinc/88/49/79/490884979.db2.gz IVOCNEYSVNPVDI-UHFFFAOYSA-N 1 3 362.430 0.863 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241540 490894983 /nfs/dbraw/zinc/89/49/83/490894983.db2.gz QQOVSBDFSRUPCJ-OIISXLGYSA-N 1 3 366.506 0.189 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000517968740 490926649 /nfs/dbraw/zinc/92/66/49/490926649.db2.gz HNQQAXJXCMKZLD-QYZOEREBSA-N 1 3 372.513 0.971 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000517968740 490926651 /nfs/dbraw/zinc/92/66/51/490926651.db2.gz HNQQAXJXCMKZLD-QYZOEREBSA-N 1 3 372.513 0.971 20 0 FCADHO CCN1CCN(CCC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000530818692 490927082 /nfs/dbraw/zinc/92/70/82/490927082.db2.gz ZKMFPGPDIDCMCU-UHFFFAOYSA-N 1 3 352.523 0.775 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000530881337 490929790 /nfs/dbraw/zinc/92/97/90/490929790.db2.gz URLALUHGDOIOGB-UHFFFAOYSA-N 1 3 361.490 0.682 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000543751228 490944564 /nfs/dbraw/zinc/94/45/64/490944564.db2.gz GYSQILCLFLWYKY-MRXNPFEDSA-N 1 3 363.506 0.586 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000543751228 490944565 /nfs/dbraw/zinc/94/45/65/490944565.db2.gz GYSQILCLFLWYKY-MRXNPFEDSA-N 1 3 363.506 0.586 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000543991938 490954637 /nfs/dbraw/zinc/95/46/37/490954637.db2.gz GWWJDQVNSKHWIQ-HNNXBMFYSA-N 1 3 369.506 0.613 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000531484731 490960409 /nfs/dbraw/zinc/96/04/09/490960409.db2.gz JCTSGPSCGJSJKV-QGZVFWFLSA-N 1 3 365.522 0.666 20 0 FCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000531484731 490960411 /nfs/dbraw/zinc/96/04/11/490960411.db2.gz JCTSGPSCGJSJKV-QGZVFWFLSA-N 1 3 365.522 0.666 20 0 FCADHO O=C(Nc1cnc(N2CCNCC2)nc1)NC1CC[NH+](CC2CC2)CC1 ZINC000519588651 490977972 /nfs/dbraw/zinc/97/79/72/490977972.db2.gz PWEALGNPFHWSAY-UHFFFAOYSA-N 1 3 359.478 0.882 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000569482023 491163440 /nfs/dbraw/zinc/16/34/40/491163440.db2.gz ZXTKJDUKEUWNNP-CQSZACIVSA-N 1 3 363.462 0.492 20 0 FCADHO CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000569682812 491181547 /nfs/dbraw/zinc/18/15/47/491181547.db2.gz PACIATXOZISEJF-UHFFFAOYSA-N 1 3 356.536 0.862 20 0 FCADHO CC[N@@H+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000565617788 491389552 /nfs/dbraw/zinc/38/95/52/491389552.db2.gz PYCUKCAQXPIHDN-ALOPSCKCSA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@H+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000565617788 491389555 /nfs/dbraw/zinc/38/95/55/491389555.db2.gz PYCUKCAQXPIHDN-ALOPSCKCSA-N 1 3 365.522 0.807 20 0 FCADHO COCCN(C)C[C@H](O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000565754110 491397612 /nfs/dbraw/zinc/39/76/12/491397612.db2.gz VKLJMMNGRHGRII-FHWLQOOXSA-N 1 3 356.555 0.416 20 0 FCADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764338 491398271 /nfs/dbraw/zinc/39/82/71/491398271.db2.gz GEJWIGCZUOWMCB-MOPGFXCFSA-N 1 3 359.518 0.848 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070847 491410114 /nfs/dbraw/zinc/41/01/14/491410114.db2.gz ASXIDAGRMKGRPI-JSGCOSHPSA-N 1 3 350.467 1.384 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000566179143 491423237 /nfs/dbraw/zinc/42/32/37/491423237.db2.gz OKUUUNUEOPWXRS-GOSISDBHSA-N 1 3 360.502 0.959 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000566197814 491425028 /nfs/dbraw/zinc/42/50/28/491425028.db2.gz QOWUUZHDOYMKSI-ROUUACIJSA-N 1 3 374.485 0.262 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000573429823 491432663 /nfs/dbraw/zinc/43/26/63/491432663.db2.gz GQYRYCKYONOZSU-DBWAAGBOSA-N 1 3 350.507 0.665 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CC[C@H](CN3CCCCC3)C2)CC[NH2+]CC1 ZINC000566296085 491433543 /nfs/dbraw/zinc/43/35/43/491433543.db2.gz OYFURMXSXTZICO-OAHLLOKOSA-N 1 3 357.520 0.488 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000573570223 491441045 /nfs/dbraw/zinc/44/10/45/491441045.db2.gz MLIKIXQHNRTCIA-ZWKOTPCHSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000573570223 491441046 /nfs/dbraw/zinc/44/10/46/491441046.db2.gz MLIKIXQHNRTCIA-ZWKOTPCHSA-N 1 3 362.518 0.873 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000566562119 491453310 /nfs/dbraw/zinc/45/33/10/491453310.db2.gz HQMCQXVBBWLLSI-FHWLQOOXSA-N 1 3 360.502 0.061 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000566562119 491453312 /nfs/dbraw/zinc/45/33/12/491453312.db2.gz HQMCQXVBBWLLSI-FHWLQOOXSA-N 1 3 360.502 0.061 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cn1 ZINC000573962751 491466137 /nfs/dbraw/zinc/46/61/37/491466137.db2.gz NUFYPNIVXIZXEM-QGZVFWFLSA-N 1 3 372.473 0.980 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000559462163 491475505 /nfs/dbraw/zinc/47/55/05/491475505.db2.gz LXYCBRRVBQOSIC-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000559554361 491480805 /nfs/dbraw/zinc/48/08/05/491480805.db2.gz MFXGGFGRVLPUEN-UHFFFAOYSA-N 1 3 369.554 0.175 20 0 FCADHO CN1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262109 491484639 /nfs/dbraw/zinc/48/46/39/491484639.db2.gz GVWIHKMXCKQFHF-MSOLQXFVSA-N 1 3 361.490 0.038 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000567194298 491491704 /nfs/dbraw/zinc/49/17/04/491491704.db2.gz RQKKACOBIYYQEQ-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000574553547 491505018 /nfs/dbraw/zinc/50/50/18/491505018.db2.gz HNMSTZINFZJUHT-AWEZNQCLSA-N 1 3 356.511 0.401 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000559862368 491505602 /nfs/dbraw/zinc/50/56/02/491505602.db2.gz LBEFEVPMQJYJRN-QAPCUYQASA-N 1 3 370.563 0.730 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000559862368 491505603 /nfs/dbraw/zinc/50/56/03/491505603.db2.gz LBEFEVPMQJYJRN-QAPCUYQASA-N 1 3 370.563 0.730 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559866875 491506142 /nfs/dbraw/zinc/50/61/42/491506142.db2.gz GDSVPDMMPKYRNT-RDTXWAMCSA-N 1 3 370.563 0.777 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567522073 491511631 /nfs/dbraw/zinc/51/16/31/491511631.db2.gz FGOKQZCLOUVZKS-CVEARBPZSA-N 1 3 353.511 0.603 20 0 FCADHO COC[C@]1(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCC[NH2+]1 ZINC000567872113 491536501 /nfs/dbraw/zinc/53/65/01/491536501.db2.gz HWQVEDBEARSSNF-CRAIPNDOSA-N 1 3 354.495 0.650 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000568075789 491552138 /nfs/dbraw/zinc/55/21/38/491552138.db2.gz HKIABCDYQPZTLW-KRWDZBQOSA-N 1 3 369.535 0.778 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560727509 491553712 /nfs/dbraw/zinc/55/37/12/491553712.db2.gz FLRAINRWVZLQTK-QGZVFWFLSA-N 1 3 368.522 0.404 20 0 FCADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561148421 491578764 /nfs/dbraw/zinc/57/87/64/491578764.db2.gz YTJBQJJMAKPMPQ-OALUTQOASA-N 1 3 357.502 0.950 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC000561223849 491585856 /nfs/dbraw/zinc/58/58/56/491585856.db2.gz HFGZKIFNKCASSG-LJQANCHMSA-N 1 3 365.566 0.545 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(COC)C(=O)OC)CC2)CC1 ZINC000577230192 491605043 /nfs/dbraw/zinc/60/50/43/491605043.db2.gz JHWCFJGRASHMMX-LJQANCHMSA-N 1 3 369.506 0.877 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C[C@@H](C)O1 ZINC000576330392 491605433 /nfs/dbraw/zinc/60/54/33/491605433.db2.gz MZGIZAUERARXOX-NUJGCVRESA-N 1 3 367.538 0.421 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000568766660 491607725 /nfs/dbraw/zinc/60/77/25/491607725.db2.gz DPJVDDYGEQGLOA-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCCO1 ZINC000561674748 491624055 /nfs/dbraw/zinc/62/40/55/491624055.db2.gz GFNOLQPMJIVIOP-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCCO1 ZINC000561674748 491624056 /nfs/dbraw/zinc/62/40/56/491624056.db2.gz GFNOLQPMJIVIOP-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000577600749 491635132 /nfs/dbraw/zinc/63/51/32/491635132.db2.gz CKWKKVBTYJUSAC-FGTMMUONSA-N 1 3 356.470 0.636 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000577600750 491635140 /nfs/dbraw/zinc/63/51/40/491635140.db2.gz CKWKKVBTYJUSAC-OKZBNKHCSA-N 1 3 356.470 0.636 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000569266348 491647521 /nfs/dbraw/zinc/64/75/21/491647521.db2.gz UYHWOVYLYAIAFS-HOTGVXAUSA-N 1 3 354.495 0.012 20 0 FCADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576837917 491649242 /nfs/dbraw/zinc/64/92/42/491649242.db2.gz LPEJRUYSTMTROC-IUODEOHRSA-N 1 3 356.426 0.878 20 0 FCADHO COCCN1CC[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000576855605 491651271 /nfs/dbraw/zinc/65/12/71/491651271.db2.gz ITDGAASJDCZVIZ-INIZCTEOSA-N 1 3 365.478 0.542 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798402 491652959 /nfs/dbraw/zinc/65/29/59/491652959.db2.gz PCGHDFSDBOKENK-WMLDXEAASA-N 1 3 366.506 0.155 20 0 FCADHO CN1CCN(CC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000577842194 491656259 /nfs/dbraw/zinc/65/62/59/491656259.db2.gz MOEUAMCHKMZUBA-HNNXBMFYSA-N 1 3 374.485 0.259 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC[NH2+]CC1 ZINC000569458507 491663468 /nfs/dbraw/zinc/66/34/68/491663468.db2.gz MBQQZNXWSAIJTI-HOCLYGCPSA-N 1 3 369.531 0.629 20 0 FCADHO CCn1ccnc1CN(CCC(=O)N1CCNCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000569459020 491663635 /nfs/dbraw/zinc/66/36/35/491663635.db2.gz RFKDAYCSVWVFRK-KRWDZBQOSA-N 1 3 374.533 0.669 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000578226948 491672810 /nfs/dbraw/zinc/67/28/10/491672810.db2.gz WAJQAZRODOJLGI-MNZLEMJZSA-N 1 3 373.501 0.676 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000578620313 491680936 /nfs/dbraw/zinc/68/09/36/491680936.db2.gz FZTOSWWEVNVINA-UHFFFAOYSA-N 1 3 350.507 0.873 20 0 FCADHO Cc1cnc([C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000578796943 491684742 /nfs/dbraw/zinc/68/47/42/491684742.db2.gz ZBKKRBXMDHLXBK-CYBMUJFWSA-N 1 3 369.535 0.623 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000579060017 491690068 /nfs/dbraw/zinc/69/00/68/491690068.db2.gz DDODPGLZIDDNNT-UHFFFAOYSA-N 1 3 361.446 0.054 20 0 FCADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000579091399 491690734 /nfs/dbraw/zinc/69/07/34/491690734.db2.gz SPJBEEQHVFFSMG-RTBURBONSA-N 1 3 374.533 0.981 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C[NH+]1CCCC1 ZINC000579138011 491691839 /nfs/dbraw/zinc/69/18/39/491691839.db2.gz LKPLIZRRWLKVAV-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210955 491693130 /nfs/dbraw/zinc/69/31/30/491693130.db2.gz ALFJKYFWFKXLOO-MOPGFXCFSA-N 1 3 359.518 0.848 20 0 FCADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359989 491696334 /nfs/dbraw/zinc/69/63/34/491696334.db2.gz YYNQVNMJMIPGBH-ROUUACIJSA-N 1 3 372.517 0.979 20 0 FCADHO CN1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000579619562 491702005 /nfs/dbraw/zinc/70/20/05/491702005.db2.gz UUKNXUKFYCBAEP-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCC[C@@H]1C(=O)NCCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000579619562 491702006 /nfs/dbraw/zinc/70/20/06/491702006.db2.gz UUKNXUKFYCBAEP-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1)CC[NH2+]CC2 ZINC000579824082 491706070 /nfs/dbraw/zinc/70/60/70/491706070.db2.gz YGJZUKHAWQZZQB-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580414414 491730090 /nfs/dbraw/zinc/73/00/90/491730090.db2.gz SSQMIMDIULFRAF-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758593 491731523 /nfs/dbraw/zinc/73/15/23/491731523.db2.gz FTCWHWVFYQIUPS-KRWDZBQOSA-N 1 3 361.490 0.686 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758593 491731524 /nfs/dbraw/zinc/73/15/24/491731524.db2.gz FTCWHWVFYQIUPS-KRWDZBQOSA-N 1 3 361.490 0.686 20 0 FCADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000580449862 491731839 /nfs/dbraw/zinc/73/18/39/491731839.db2.gz DFGMLIAXVHNYIO-SFHVURJKSA-N 1 3 373.501 0.415 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](CN)C1 ZINC000580533513 491734969 /nfs/dbraw/zinc/73/49/69/491734969.db2.gz VDODROFUVLPJDN-DLBZAZTESA-N 1 3 365.522 0.001 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](CN)C1 ZINC000580533513 491734970 /nfs/dbraw/zinc/73/49/70/491734970.db2.gz VDODROFUVLPJDN-DLBZAZTESA-N 1 3 365.522 0.001 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NCCN1CCCCCC1 ZINC000580613196 491738796 /nfs/dbraw/zinc/73/87/96/491738796.db2.gz ZQIDZCXWMKZWJZ-IRXDYDNUSA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)NCCN1CCCCCC1 ZINC000580613196 491738798 /nfs/dbraw/zinc/73/87/98/491738798.db2.gz ZQIDZCXWMKZWJZ-IRXDYDNUSA-N 1 3 365.522 0.905 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580639662 491739748 /nfs/dbraw/zinc/73/97/48/491739748.db2.gz QBLLEWNVCBGDHW-OAQYLSRUSA-N 1 3 370.497 0.933 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580639662 491739750 /nfs/dbraw/zinc/73/97/50/491739750.db2.gz QBLLEWNVCBGDHW-OAQYLSRUSA-N 1 3 370.497 0.933 20 0 FCADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580785575 491745782 /nfs/dbraw/zinc/74/57/82/491745782.db2.gz GHNXEPWEAVEGDK-OIISXLGYSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580785575 491745783 /nfs/dbraw/zinc/74/57/83/491745783.db2.gz GHNXEPWEAVEGDK-OIISXLGYSA-N 1 3 359.474 0.460 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580832215 491747720 /nfs/dbraw/zinc/74/77/20/491747720.db2.gz TVAIUVLGSFDNMA-OAHLLOKOSA-N 1 3 354.495 0.250 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580832214 491747784 /nfs/dbraw/zinc/74/77/84/491747784.db2.gz TVAIUVLGSFDNMA-HNNXBMFYSA-N 1 3 354.495 0.250 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080604 491758479 /nfs/dbraw/zinc/75/84/79/491758479.db2.gz WDOWSUFWCFEYAD-KSZLIROESA-N 1 3 357.539 0.889 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080604 491758480 /nfs/dbraw/zinc/75/84/80/491758480.db2.gz WDOWSUFWCFEYAD-KSZLIROESA-N 1 3 357.539 0.889 20 0 FCADHO CCN(C)C[C@H](O)C[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080604 491758481 /nfs/dbraw/zinc/75/84/81/491758481.db2.gz WDOWSUFWCFEYAD-KSZLIROESA-N 1 3 357.539 0.889 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CCN2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c1 ZINC000581370133 491770297 /nfs/dbraw/zinc/77/02/97/491770297.db2.gz KMXNYBVWDPPLHG-UHOFOFEASA-N 1 3 366.487 0.722 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)C1=CC[N@H+](C)CC1 ZINC000581575559 491778514 /nfs/dbraw/zinc/77/85/14/491778514.db2.gz VPWYKSUOKBRRFR-OAHLLOKOSA-N 1 3 362.474 0.936 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)C1=CC[N@@H+](C)CC1 ZINC000581575559 491778516 /nfs/dbraw/zinc/77/85/16/491778516.db2.gz VPWYKSUOKBRRFR-OAHLLOKOSA-N 1 3 362.474 0.936 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581883268 491788786 /nfs/dbraw/zinc/78/87/86/491788786.db2.gz UNZIGDRXODXJDI-ZDUSSCGKSA-N 1 3 356.434 0.087 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC000581952624 491792006 /nfs/dbraw/zinc/79/20/06/491792006.db2.gz QCWLSVLSTKGBOP-IBGZPJMESA-N 1 3 367.490 0.631 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668498368 493364761 /nfs/dbraw/zinc/36/47/61/493364761.db2.gz QFBAJIHFDHSNFJ-QGZVFWFLSA-N 1 3 366.506 0.204 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000582423368 491811903 /nfs/dbraw/zinc/81/19/03/491811903.db2.gz USLNBOOSPWJHCB-KRWDZBQOSA-N 1 3 360.458 0.450 20 0 FCADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000582545762 491817041 /nfs/dbraw/zinc/81/70/41/491817041.db2.gz FSKJTKKOYDJRGG-RDJZCZTQSA-N 1 3 367.457 0.952 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCOC)C(=O)OC)CC2)CC1 ZINC000582616794 491820094 /nfs/dbraw/zinc/82/00/94/491820094.db2.gz MVRDALAFKHPJNI-QGZVFWFLSA-N 1 3 369.506 0.877 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000582664110 491821531 /nfs/dbraw/zinc/82/15/31/491821531.db2.gz ZTPWAJQLLBIXPR-MRXNPFEDSA-N 1 3 350.438 0.584 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668812 491821945 /nfs/dbraw/zinc/82/19/45/491821945.db2.gz MFMRLMFENJMCCJ-FSDCSDTHSA-N 1 3 363.506 0.606 20 0 FCADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CCN2C1=O ZINC000582914916 491832365 /nfs/dbraw/zinc/83/23/65/491832365.db2.gz HNJWKQCLUHEDLR-FGTMMUONSA-N 1 3 371.485 0.604 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253364 491840904 /nfs/dbraw/zinc/84/09/04/491840904.db2.gz QOZMQHSSSYHGMH-UONOGXRCSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253364 491840905 /nfs/dbraw/zinc/84/09/05/491840905.db2.gz QOZMQHSSSYHGMH-UONOGXRCSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000583452569 491845369 /nfs/dbraw/zinc/84/53/69/491845369.db2.gz PHRBPSKEBBNCJH-QAETUUGQSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@]3(C1)CCCN(C)C3)CC[NH2+]CC2 ZINC000583807771 491852297 /nfs/dbraw/zinc/85/22/97/491852297.db2.gz ZPJRUZYIWJNHEG-OXJNMPFZSA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000584014428 491856647 /nfs/dbraw/zinc/85/66/47/491856647.db2.gz NZWMHNYWAHANNT-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000584089436 491858284 /nfs/dbraw/zinc/85/82/84/491858284.db2.gz ANWZEKSNTAJLBL-MRXNPFEDSA-N 1 3 350.507 0.907 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000584099139 491858387 /nfs/dbraw/zinc/85/83/87/491858387.db2.gz CNTNMBDVICTBHN-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000584099139 491858388 /nfs/dbraw/zinc/85/83/88/491858388.db2.gz CNTNMBDVICTBHN-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@H]1[NH3+] ZINC000584226604 491861073 /nfs/dbraw/zinc/86/10/73/491861073.db2.gz CHUWXHHXDCDIIL-BZZMCLGOSA-N 1 3 356.470 0.525 20 0 FCADHO C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1=CCN(C)CC1 ZINC000611757682 491872481 /nfs/dbraw/zinc/87/24/81/491872481.db2.gz HBYLEHBBGAFOCW-HNNXBMFYSA-N 1 3 362.518 0.991 20 0 FCADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000595263271 491908536 /nfs/dbraw/zinc/90/85/36/491908536.db2.gz RMAGFJDYDWHJJV-GBJTYRQASA-N 1 3 363.462 0.662 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263546 491908718 /nfs/dbraw/zinc/90/87/18/491908718.db2.gz FEVRAEHPEKNLKF-DLBZAZTESA-N 1 3 372.473 0.251 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000612547523 491932462 /nfs/dbraw/zinc/93/24/62/491932462.db2.gz FJRQVXWXDLDPAZ-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO CCOC(=O)CC1(NCC(=O)NC2CC[NH+](CC)CC2)CCOCC1 ZINC000595887056 491959323 /nfs/dbraw/zinc/95/93/23/491959323.db2.gz LYXQTOOBKYOQMZ-UHFFFAOYSA-N 1 3 355.479 0.679 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957003 491965156 /nfs/dbraw/zinc/96/51/56/491965156.db2.gz SIZFXFLDQGVVPQ-OAHLLOKOSA-N 1 3 365.396 0.920 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506785 491990222 /nfs/dbraw/zinc/99/02/22/491990222.db2.gz PKKWJWROHMUDCQ-IEBWSBKVSA-N 1 3 360.502 0.803 20 0 FCADHO COC(=O)c1ccn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000602831173 491999849 /nfs/dbraw/zinc/99/98/49/491999849.db2.gz ZSEDEFMSAWEPQM-UHFFFAOYSA-N 1 3 363.462 0.345 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000597430357 492037858 /nfs/dbraw/zinc/03/78/58/492037858.db2.gz KCIVEHUZGHYGFC-HNNXBMFYSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000597430357 492037859 /nfs/dbraw/zinc/03/78/59/492037859.db2.gz KCIVEHUZGHYGFC-HNNXBMFYSA-N 1 3 353.511 0.570 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOC[C@@H]3CCOC3)CC2)CC1 ZINC000598095125 492082866 /nfs/dbraw/zinc/08/28/66/492082866.db2.gz FTWOXMNNWVGHRW-MRXNPFEDSA-N 1 3 368.522 0.897 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000607689506 492149095 /nfs/dbraw/zinc/14/90/95/492149095.db2.gz ATTGOOUIYYTXON-WCXIOVBPSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000607689506 492149097 /nfs/dbraw/zinc/14/90/97/492149097.db2.gz ATTGOOUIYYTXON-WCXIOVBPSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)CCN1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000654407781 492299358 /nfs/dbraw/zinc/29/93/58/492299358.db2.gz SRHIWJNEUITZOD-QGZVFWFLSA-N 1 3 354.564 0.910 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000642253933 492345657 /nfs/dbraw/zinc/34/56/57/492345657.db2.gz RGYFVILNFDCELN-ROUUACIJSA-N 1 3 374.485 0.119 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000642253933 492345663 /nfs/dbraw/zinc/34/56/63/492345663.db2.gz RGYFVILNFDCELN-ROUUACIJSA-N 1 3 374.485 0.119 20 0 FCADHO CN(CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642302693 492349714 /nfs/dbraw/zinc/34/97/14/492349714.db2.gz VDCNYJPTTJRASR-ZWKOTPCHSA-N 1 3 358.486 0.835 20 0 FCADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(N3CCNCC3)cn2)cnn1C ZINC000647735559 492352949 /nfs/dbraw/zinc/35/29/49/492352949.db2.gz ZUERGBCFRDGSIE-SJORKVTESA-N 1 3 369.473 0.475 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642645035 492368952 /nfs/dbraw/zinc/36/89/52/492368952.db2.gz GCSAADZBWIDGIJ-BBWFWOEESA-N 1 3 350.507 0.968 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642732918 492382874 /nfs/dbraw/zinc/38/28/74/492382874.db2.gz CLJZKHDRVBCNGP-HKUYNNGSSA-N 1 3 370.497 0.761 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975857 492388776 /nfs/dbraw/zinc/38/87/76/492388776.db2.gz GXWNFOMBLPUSIA-IAGOWNOFSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977444 492390389 /nfs/dbraw/zinc/39/03/89/492390389.db2.gz BJWBRCJGYCHMTN-ROUUACIJSA-N 1 3 362.518 0.779 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCC(=O)N3)CC2)CC1 ZINC000655038965 492394916 /nfs/dbraw/zinc/39/49/16/492394916.db2.gz STIVGYHDPPUXJN-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C(=O)C(=O)NCC[NH2+]C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000642918968 492403621 /nfs/dbraw/zinc/40/36/21/492403621.db2.gz JHSBRAMEKNNYMR-UHFFFAOYSA-N 1 3 358.486 0.978 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924110 492404953 /nfs/dbraw/zinc/40/49/53/492404953.db2.gz LDKMSKBTQVCAPF-WMZOPIPTSA-N 1 3 356.470 0.588 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924110 492404956 /nfs/dbraw/zinc/40/49/56/492404956.db2.gz LDKMSKBTQVCAPF-WMZOPIPTSA-N 1 3 356.470 0.588 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958471 492406452 /nfs/dbraw/zinc/40/64/52/492406452.db2.gz AJJZJGUHOZZFOA-GDBMZVCRSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958471 492406454 /nfs/dbraw/zinc/40/64/54/492406454.db2.gz AJJZJGUHOZZFOA-GDBMZVCRSA-N 1 3 366.506 0.693 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979905 492409083 /nfs/dbraw/zinc/40/90/83/492409083.db2.gz OOQRSAQGYPLXKR-QZTJIDSGSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973146 492409485 /nfs/dbraw/zinc/40/94/85/492409485.db2.gz LBYQIVHXHACFPD-LJQANCHMSA-N 1 3 350.507 0.969 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000642982012 492410110 /nfs/dbraw/zinc/41/01/10/492410110.db2.gz NSHKIMVRLLLEPJ-AEFFLSMTSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000642982012 492410113 /nfs/dbraw/zinc/41/01/13/492410113.db2.gz NSHKIMVRLLLEPJ-AEFFLSMTSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000642982013 492410560 /nfs/dbraw/zinc/41/05/60/492410560.db2.gz NSHKIMVRLLLEPJ-FUHWJXTLSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000642982013 492410563 /nfs/dbraw/zinc/41/05/63/492410563.db2.gz NSHKIMVRLLLEPJ-FUHWJXTLSA-N 1 3 356.470 0.849 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@H]2N)cn1 ZINC000648180626 492412418 /nfs/dbraw/zinc/41/24/18/492412418.db2.gz JPZQZRQDPRRVDU-ZWKOTPCHSA-N 1 3 353.470 0.995 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N(C)Cc1ccccc1 ZINC000621839505 492422064 /nfs/dbraw/zinc/42/20/64/492422064.db2.gz UHTUNBNNRMMVBM-SYNHAJSKSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843270 492424523 /nfs/dbraw/zinc/42/45/23/492424523.db2.gz BRVRCPBGAXHRLV-DYESRHJHSA-N 1 3 370.497 0.542 20 0 FCADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000643440561 492462101 /nfs/dbraw/zinc/46/21/01/492462101.db2.gz JQHIRPNNKRAHQR-UHFFFAOYSA-N 1 3 359.474 0.719 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635557995 492471910 /nfs/dbraw/zinc/47/19/10/492471910.db2.gz GJVHIMXRLNYGQE-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2ccncc2)CC1 ZINC000643478994 492475532 /nfs/dbraw/zinc/47/55/32/492475532.db2.gz ZKBWVYHHZQZWFT-IRXDYDNUSA-N 1 3 371.485 0.578 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643489791 492479919 /nfs/dbraw/zinc/47/99/19/492479919.db2.gz PZBGORSOLYJHJZ-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498779 492482789 /nfs/dbraw/zinc/48/27/89/492482789.db2.gz VKCCUYJCUNIZIG-FGTMMUONSA-N 1 3 362.518 0.921 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504146 492483835 /nfs/dbraw/zinc/48/38/35/492483835.db2.gz FTXNCJLXODNBOC-SQNIBIBYSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CCO1 ZINC000643524295 492489969 /nfs/dbraw/zinc/48/99/69/492489969.db2.gz DWMFXAHVUOBTGQ-DZGCQCFKSA-N 1 3 368.503 0.213 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531829 492491846 /nfs/dbraw/zinc/49/18/46/492491846.db2.gz OXFUIBRWLBMHFA-RYQLBKOJSA-N 1 3 358.486 0.915 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000643531926 492491875 /nfs/dbraw/zinc/49/18/75/492491875.db2.gz WYUWGYRYSXGOBH-QRVBRYPASA-N 1 3 370.497 0.930 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000643531889 492492461 /nfs/dbraw/zinc/49/24/61/492492461.db2.gz SRSJXPYXDWVKOG-OTWHNJEPSA-N 1 3 370.497 0.930 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532541 492493085 /nfs/dbraw/zinc/49/30/85/492493085.db2.gz TYPJCXCTJYDZCC-OKYOBFRVSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532541 492493089 /nfs/dbraw/zinc/49/30/89/492493089.db2.gz TYPJCXCTJYDZCC-OKYOBFRVSA-N 1 3 370.497 0.882 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022777 492520020 /nfs/dbraw/zinc/52/00/20/492520020.db2.gz LVOQNTMOKWNGEL-YJNKXOJESA-N 1 3 352.479 0.349 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022777 492520024 /nfs/dbraw/zinc/52/00/24/492520024.db2.gz LVOQNTMOKWNGEL-YJNKXOJESA-N 1 3 352.479 0.349 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000649357784 492547286 /nfs/dbraw/zinc/54/72/86/492547286.db2.gz JZUCXPCROOJFLN-YESZJQIVSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000649357784 492547289 /nfs/dbraw/zinc/54/72/89/492547289.db2.gz JZUCXPCROOJFLN-YESZJQIVSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363568 492547969 /nfs/dbraw/zinc/54/79/69/492547969.db2.gz GEZDOWYMCOXEEI-YESZJQIVSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656150503 492557997 /nfs/dbraw/zinc/55/79/97/492557997.db2.gz VYATUOBEXIBVCH-PMPSAXMXSA-N 1 3 351.495 0.765 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656150503 492557999 /nfs/dbraw/zinc/55/79/99/492557999.db2.gz VYATUOBEXIBVCH-PMPSAXMXSA-N 1 3 351.495 0.765 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623725396 492587158 /nfs/dbraw/zinc/58/71/58/492587158.db2.gz YAWAQFNMSWKMGT-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623725396 492587162 /nfs/dbraw/zinc/58/71/62/492587162.db2.gz YAWAQFNMSWKMGT-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656353971 492609229 /nfs/dbraw/zinc/60/92/29/492609229.db2.gz ADUFPUJHPWUVBU-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO Nc1nc(N)nc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000623971965 492610673 /nfs/dbraw/zinc/61/06/73/492610673.db2.gz MUDVWALMKJSNSD-LLVKDONJSA-N 1 3 353.352 0.824 20 0 FCADHO Nc1nc(N)nc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000623971965 492610675 /nfs/dbraw/zinc/61/06/75/492610675.db2.gz MUDVWALMKJSNSD-LLVKDONJSA-N 1 3 353.352 0.824 20 0 FCADHO O=C(NCc1cn(CCCN2CCSCC2)nn1)C1CC[NH2+]CC1 ZINC000656449741 492623193 /nfs/dbraw/zinc/62/31/93/492623193.db2.gz FUIJXFHOSKTFFO-UHFFFAOYSA-N 1 3 352.508 0.333 20 0 FCADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000629558955 492644524 /nfs/dbraw/zinc/64/45/24/492644524.db2.gz OALMUONVSLOQAA-LJQANCHMSA-N 1 3 360.502 0.772 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665021 492653972 /nfs/dbraw/zinc/65/39/72/492653972.db2.gz YTMCYZINTRMMBV-RHSMWYFYSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000644152290 492654110 /nfs/dbraw/zinc/65/41/10/492654110.db2.gz RLJJHAYEXQQNFT-IBGZPJMESA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000644152290 492654114 /nfs/dbraw/zinc/65/41/14/492654114.db2.gz RLJJHAYEXQQNFT-IBGZPJMESA-N 1 3 365.522 0.666 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000629793213 492674202 /nfs/dbraw/zinc/67/42/02/492674202.db2.gz BGMHDSGTKYSUGT-UHFFFAOYSA-N 1 3 360.502 0.961 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629796782 492676450 /nfs/dbraw/zinc/67/64/50/492676450.db2.gz SNBOSQKXSZABFW-JHJVBQTASA-N 1 3 364.412 0.525 20 0 FCADHO CN(CC(=O)N[C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708258 /nfs/dbraw/zinc/70/82/58/492708258.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CC(=O)N[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708264 /nfs/dbraw/zinc/70/82/64/492708264.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CC(=O)NC[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708268 /nfs/dbraw/zinc/70/82/68/492708268.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CC(=O)NC[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954217 492708271 /nfs/dbraw/zinc/70/82/71/492708271.db2.gz BKZKTCZODVMMLU-QGZVFWFLSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(NCCN1CC[C@@H](O)C1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000637036502 492755062 /nfs/dbraw/zinc/75/50/62/492755062.db2.gz LCHQRXWFYMUMLG-MSOLQXFVSA-N 1 3 362.474 0.119 20 0 FCADHO O=C(NCCN1CC[C@@H](O)C1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000637036502 492755068 /nfs/dbraw/zinc/75/50/68/492755068.db2.gz LCHQRXWFYMUMLG-MSOLQXFVSA-N 1 3 362.474 0.119 20 0 FCADHO CN(CCC[NH+](C)C)CCn1cc(-c2cccc(NC(=O)CN)c2)nn1 ZINC000630611834 492755077 /nfs/dbraw/zinc/75/50/77/492755077.db2.gz LMIVHJPYNFICDM-UHFFFAOYSA-N 1 3 359.478 0.726 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630809943 492776901 /nfs/dbraw/zinc/77/69/01/492776901.db2.gz JLNPRMGVBQHZCJ-UHFFFAOYSA-N 1 3 357.462 0.844 20 0 FCADHO CN(C)CCn1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000630862821 492779727 /nfs/dbraw/zinc/77/97/27/492779727.db2.gz MZLOYIRODXHXDP-UHFFFAOYSA-N 1 3 362.522 0.733 20 0 FCADHO CCN1CCN(CCCC[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000644562712 492785382 /nfs/dbraw/zinc/78/53/82/492785382.db2.gz LXPNLJPAYRHACD-FHWLQOOXSA-N 1 3 356.555 0.464 20 0 FCADHO CCN1CCN(CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644562713 492785730 /nfs/dbraw/zinc/78/57/30/492785730.db2.gz LXPNLJPAYRHACD-OTWHNJEPSA-N 1 3 356.555 0.464 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000644610945 492790835 /nfs/dbraw/zinc/79/08/35/492790835.db2.gz AEFGFURJCAYXJY-NUJGCVRESA-N 1 3 366.506 0.582 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000651848996 492834367 /nfs/dbraw/zinc/83/43/67/492834367.db2.gz PLRCYIQZTZXMIC-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000651848996 492834372 /nfs/dbraw/zinc/83/43/72/492834372.db2.gz PLRCYIQZTZXMIC-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000637639691 492854569 /nfs/dbraw/zinc/85/45/69/492854569.db2.gz OPBKESAWIMNNIO-GFCCVEGCSA-N 1 3 365.404 0.516 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652144693 492885629 /nfs/dbraw/zinc/88/56/29/492885629.db2.gz OQDRNMAHMRHZDV-INIZCTEOSA-N 1 3 353.511 0.618 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000631928718 492890351 /nfs/dbraw/zinc/89/03/51/492890351.db2.gz LERBETXWOBEGAE-UHFFFAOYSA-N 1 3 367.519 0.816 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)nn1 ZINC000652268568 492902935 /nfs/dbraw/zinc/90/29/35/492902935.db2.gz CEPDBLMTGAWSEK-OAHLLOKOSA-N 1 3 361.425 0.881 20 0 FCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000638089684 492903279 /nfs/dbraw/zinc/90/32/79/492903279.db2.gz CRPQGBSEAKIYJL-SCLBCKFNSA-N 1 3 362.430 0.862 20 0 FCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000638108109 492907673 /nfs/dbraw/zinc/90/76/73/492907673.db2.gz LAHGQKPNDJNNBX-APWZRJJASA-N 1 3 362.474 0.361 20 0 FCADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C2 ZINC000652351173 492914100 /nfs/dbraw/zinc/91/41/00/492914100.db2.gz JIOCHPUBLFKSRS-GUYCJALGSA-N 1 3 366.487 0.723 20 0 FCADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C2 ZINC000652351173 492914105 /nfs/dbraw/zinc/91/41/05/492914105.db2.gz JIOCHPUBLFKSRS-GUYCJALGSA-N 1 3 366.487 0.723 20 0 FCADHO CN(C)CCn1cc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000652612064 492971108 /nfs/dbraw/zinc/97/11/08/492971108.db2.gz GTPLIUXNUOOHGX-CQSZACIVSA-N 1 3 350.467 0.664 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000652624244 492972750 /nfs/dbraw/zinc/97/27/50/492972750.db2.gz DQQITZHEWOPKGU-LSDHHAIUSA-N 1 3 362.478 0.231 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000632369271 492985037 /nfs/dbraw/zinc/98/50/37/492985037.db2.gz NQRFYEGJESTHHO-UKRRQHHQSA-N 1 3 357.524 0.775 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673255 492985268 /nfs/dbraw/zinc/98/52/68/492985268.db2.gz ITFIYNVKAPEIHK-XHSDSOJGSA-N 1 3 352.523 0.975 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723665 493003631 /nfs/dbraw/zinc/00/36/31/493003631.db2.gz IBDTZBCQKGDESX-UHFFFAOYSA-N 1 3 350.463 0.676 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000626895229 493054791 /nfs/dbraw/zinc/05/47/91/493054791.db2.gz NOZBHGBBHWQWTM-UHFFFAOYSA-N 1 3 352.435 0.129 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000626923645 493063425 /nfs/dbraw/zinc/06/34/25/493063425.db2.gz YDXVSCZDFIULAD-FUHWJXTLSA-N 1 3 369.473 0.886 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H](N)CC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000653124859 493075869 /nfs/dbraw/zinc/07/58/69/493075869.db2.gz JHFZNYTYBRUBPD-RBUKOAKNSA-N 1 3 361.534 0.760 20 0 FCADHO CN1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000633004854 493102128 /nfs/dbraw/zinc/10/21/28/493102128.db2.gz ISQYUEFQENPQDW-BBRMVZONSA-N 1 3 360.462 0.299 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082231 493117756 /nfs/dbraw/zinc/11/77/56/493117756.db2.gz MZDLEALCJLXXKD-KSZLIROESA-N 1 3 371.485 0.467 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259663 493121775 /nfs/dbraw/zinc/12/17/75/493121775.db2.gz XHBHHQHJWCPJRE-WOJBJXKFSA-N 1 3 372.513 0.715 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259663 493121778 /nfs/dbraw/zinc/12/17/78/493121778.db2.gz XHBHHQHJWCPJRE-WOJBJXKFSA-N 1 3 372.513 0.715 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104664 493128119 /nfs/dbraw/zinc/12/81/19/493128119.db2.gz HCSJRYLXBFIQBB-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104664 493128122 /nfs/dbraw/zinc/12/81/22/493128122.db2.gz HCSJRYLXBFIQBB-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641167205 493174711 /nfs/dbraw/zinc/17/47/11/493174711.db2.gz FMOQBHATZAXNAJ-QGZVFWFLSA-N 1 3 363.510 0.062 20 0 FCADHO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641167205 493174715 /nfs/dbraw/zinc/17/47/15/493174715.db2.gz FMOQBHATZAXNAJ-QGZVFWFLSA-N 1 3 363.510 0.062 20 0 FCADHO C[C@H]1CCC[C@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659441495 493178629 /nfs/dbraw/zinc/17/86/29/493178629.db2.gz SYLHXYKRHMIVNZ-SJCJKPOMSA-N 1 3 350.467 0.951 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2ccco2)C1 ZINC000659318610 493189761 /nfs/dbraw/zinc/18/97/61/493189761.db2.gz RKPZWFXYVFTDDB-HNNXBMFYSA-N 1 3 350.463 0.547 20 0 FCADHO CCO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000659318512 493190154 /nfs/dbraw/zinc/19/01/54/493190154.db2.gz INHUWCODXKFMAO-HZPDHXFCSA-N 1 3 356.511 0.212 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)n1 ZINC000659581521 493216017 /nfs/dbraw/zinc/21/60/17/493216017.db2.gz ONVXBVQBWSPSFC-HUUCEWRRSA-N 1 3 374.420 0.725 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000666753432 493222250 /nfs/dbraw/zinc/22/22/50/493222250.db2.gz WJUBCKLSHTXMHQ-INIZCTEOSA-N 1 3 355.527 0.768 20 0 FCADHO C[NH+](C)CCCC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659630704 493224157 /nfs/dbraw/zinc/22/41/57/493224157.db2.gz MHUARLLSTMPUQP-UHFFFAOYSA-N 1 3 350.467 0.904 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672696190 493234765 /nfs/dbraw/zinc/23/47/65/493234765.db2.gz JORRGWXBNRWFFE-INIZCTEOSA-N 1 3 359.474 0.721 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000666927121 493238998 /nfs/dbraw/zinc/23/89/98/493238998.db2.gz GNPQCVLHZDEXMB-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000666927121 493239002 /nfs/dbraw/zinc/23/90/02/493239002.db2.gz GNPQCVLHZDEXMB-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1C ZINC000659678410 493247147 /nfs/dbraw/zinc/24/71/47/493247147.db2.gz MDUHPLNMBXYWLB-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659699067 493260021 /nfs/dbraw/zinc/26/00/21/493260021.db2.gz KGPJCEUGDXHCBK-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659717125 493269675 /nfs/dbraw/zinc/26/96/75/493269675.db2.gz ZYMVIUWFSQMASU-MSOLQXFVSA-N 1 3 373.501 0.796 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1F ZINC000667262932 493270169 /nfs/dbraw/zinc/27/01/69/493270169.db2.gz QSCIFAPCAGOEPO-AWEZNQCLSA-N 1 3 366.437 0.963 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659722642 493272871 /nfs/dbraw/zinc/27/28/71/493272871.db2.gz FKILEUMLWPBSMG-ZBFHGGJFSA-N 1 3 352.479 0.004 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@@H]1CN ZINC000659757427 493287006 /nfs/dbraw/zinc/28/70/06/493287006.db2.gz YDHDHFJDNVJPHA-WMLDXEAASA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H](CN)C1 ZINC000659756790 493287218 /nfs/dbraw/zinc/28/72/18/493287218.db2.gz VAVSSOWHSZMUKL-PBHICJAKSA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000667538626 493289042 /nfs/dbraw/zinc/28/90/42/493289042.db2.gz JAHPPAHRWYBURO-RHSMWYFYSA-N 1 3 360.458 0.776 20 0 FCADHO CC(C)[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000673470512 493332172 /nfs/dbraw/zinc/33/21/72/493332172.db2.gz OSZWOOFFTBREIC-HZPDHXFCSA-N 1 3 356.511 0.258 20 0 FCADHO CC(C)(CO)N1CCN(C/C=C\CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896581 493372497 /nfs/dbraw/zinc/37/24/97/493372497.db2.gz XKABHAFONVJRAI-WAYWQWQTSA-N 1 3 368.566 0.320 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)N(C)C1CC1 ZINC000668796459 493412401 /nfs/dbraw/zinc/41/24/01/493412401.db2.gz VAZCLLINQFQTNS-AWEZNQCLSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CN1CC[C@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450148 /nfs/dbraw/zinc/45/01/48/493450148.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H](CN1CC[C@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450150 /nfs/dbraw/zinc/45/01/50/493450150.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H](CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450152 /nfs/dbraw/zinc/45/01/52/493450152.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H](CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596723 493450155 /nfs/dbraw/zinc/45/01/55/493450155.db2.gz FELFEOUZDADFAT-ZKXLYKBJSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669135303 493466874 /nfs/dbraw/zinc/46/68/74/493466874.db2.gz DSEPTHXFYCVDGV-PBHICJAKSA-N 1 3 350.463 0.885 20 0 FCADHO O=C(CN1CC[C@H]2C[C@H]2C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978657 493479901 /nfs/dbraw/zinc/47/99/01/493479901.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 1 3 360.502 0.341 20 0 FCADHO O=C(CN1CC[C@H]2C[C@H]2C1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661978657 493479904 /nfs/dbraw/zinc/47/99/04/493479904.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 1 3 360.502 0.341 20 0 FCADHO O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661978657 493479906 /nfs/dbraw/zinc/47/99/06/493479906.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 1 3 360.502 0.341 20 0 FCADHO O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661978657 493479908 /nfs/dbraw/zinc/47/99/08/493479908.db2.gz QCXPWNDZBWUGTK-USTZCAOPSA-N 1 3 360.502 0.341 20 0 FCADHO CC(C)N1CCO[C@H](CN2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264086 493501640 /nfs/dbraw/zinc/50/16/40/493501640.db2.gz PSKJPYQBYFEGRJ-ZWKOTPCHSA-N 1 3 352.523 0.234 20 0 FCADHO COc1cc(NC(=O)CC[NH2+]C2(CO)CCNCC2)cc(OC)c1OC ZINC000662285923 493502295 /nfs/dbraw/zinc/50/22/95/493502295.db2.gz AJQWRJKFMHPCPM-UHFFFAOYSA-N 1 3 367.446 0.745 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669430850 493503504 /nfs/dbraw/zinc/50/35/04/493503504.db2.gz HGEKROBFROSYSQ-MJGOQNOKSA-N 1 3 372.517 0.987 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669430849 493503839 /nfs/dbraw/zinc/50/38/39/493503839.db2.gz HGEKROBFROSYSQ-IEBWSBKVSA-N 1 3 372.517 0.987 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298996 493504485 /nfs/dbraw/zinc/50/44/85/493504485.db2.gz ZDKNVTWVZUVYDO-PBHICJAKSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000662293783 493504653 /nfs/dbraw/zinc/50/46/53/493504653.db2.gz NTRJFFURCJLABW-GOSISDBHSA-N 1 3 372.517 0.837 20 0 FCADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685647946 493507835 /nfs/dbraw/zinc/50/78/35/493507835.db2.gz GUWTYGNMAREYOE-INIZCTEOSA-N 1 3 353.488 0.758 20 0 FCADHO C[C@@H](CN1CCOCC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337598 493507923 /nfs/dbraw/zinc/50/79/23/493507923.db2.gz LUOQFZRUUKUXTM-IRXDYDNUSA-N 1 3 362.522 0.719 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC[NH+](C)CC1 ZINC000675994312 493516916 /nfs/dbraw/zinc/51/69/16/493516916.db2.gz ABNRCCWGNBFPEB-DOTOQJQBSA-N 1 3 365.522 0.665 20 0 FCADHO COCCN1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662691707 493532142 /nfs/dbraw/zinc/53/21/42/493532142.db2.gz ICBNKNUFGZZFSO-OAHLLOKOSA-N 1 3 350.467 0.433 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712096 493533544 /nfs/dbraw/zinc/53/35/44/493533544.db2.gz PXJZREPUYLUPND-SWLSCSKDSA-N 1 3 364.412 0.587 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662755492 493539038 /nfs/dbraw/zinc/53/90/38/493539038.db2.gz CFOJIKNKILHBEW-MOPGFXCFSA-N 1 3 360.502 0.804 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000670545575 493579419 /nfs/dbraw/zinc/57/94/19/493579419.db2.gz XAWWXHYBBPLLBV-INIZCTEOSA-N 1 3 368.522 0.593 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H]1O ZINC000663585438 493602066 /nfs/dbraw/zinc/60/20/66/493602066.db2.gz JFLQDMJRPDFVBU-IRXDYDNUSA-N 1 3 350.463 0.443 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000670984968 493620678 /nfs/dbraw/zinc/62/06/78/493620678.db2.gz BHSIHPQBQQZPJD-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000670984968 493620679 /nfs/dbraw/zinc/62/06/79/493620679.db2.gz BHSIHPQBQQZPJD-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102353 493633604 /nfs/dbraw/zinc/63/36/04/493633604.db2.gz YIFMIPFIHPBZDA-IKGGRYGDSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102353 493633606 /nfs/dbraw/zinc/63/36/06/493633606.db2.gz YIFMIPFIHPBZDA-IKGGRYGDSA-N 1 3 366.506 0.347 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664066073 493634050 /nfs/dbraw/zinc/63/40/50/493634050.db2.gz QYADGDIJTYUILP-IAGOWNOFSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664066073 493634051 /nfs/dbraw/zinc/63/40/51/493634051.db2.gz QYADGDIJTYUILP-IAGOWNOFSA-N 1 3 354.495 0.338 20 0 FCADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671122982 493639143 /nfs/dbraw/zinc/63/91/43/493639143.db2.gz XFVJTCZUQXXPHI-OAHLLOKOSA-N 1 3 357.458 0.331 20 0 FCADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671122982 493639144 /nfs/dbraw/zinc/63/91/44/493639144.db2.gz XFVJTCZUQXXPHI-OAHLLOKOSA-N 1 3 357.458 0.331 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C ZINC000671171653 493645062 /nfs/dbraw/zinc/64/50/62/493645062.db2.gz BELMTXDWOYXDJL-KRWDZBQOSA-N 1 3 369.554 0.221 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000671170706 493645202 /nfs/dbraw/zinc/64/52/02/493645202.db2.gz FILMEWNNNGAACX-INIZCTEOSA-N 1 3 359.474 0.578 20 0 FCADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000664222099 493645997 /nfs/dbraw/zinc/64/59/97/493645997.db2.gz AAGXEGDDGKKVGE-UHFFFAOYSA-N 1 3 355.527 0.770 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404574 493666623 /nfs/dbraw/zinc/66/66/23/493666623.db2.gz NUKXQTMBTYXDRE-DLBZAZTESA-N 1 3 373.501 0.967 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@@H]1O ZINC000664625349 493673288 /nfs/dbraw/zinc/67/32/88/493673288.db2.gz MTPOXKULMYVNFE-BZSNNMDCSA-N 1 3 362.474 0.070 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H]1O ZINC000664625349 493673289 /nfs/dbraw/zinc/67/32/89/493673289.db2.gz MTPOXKULMYVNFE-BZSNNMDCSA-N 1 3 362.474 0.070 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000665458299 493716105 /nfs/dbraw/zinc/71/61/05/493716105.db2.gz CDIWFBLAKUSHFI-GOSISDBHSA-N 1 3 368.522 0.849 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556081 493723139 /nfs/dbraw/zinc/72/31/39/493723139.db2.gz QJKXWOMSLANYDO-JKSUJKDBSA-N 1 3 365.522 0.807 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556081 493723142 /nfs/dbraw/zinc/72/31/42/493723142.db2.gz QJKXWOMSLANYDO-JKSUJKDBSA-N 1 3 365.522 0.807 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000672165939 493740083 /nfs/dbraw/zinc/74/00/83/493740083.db2.gz UAQANFAXDHIGLP-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H]1C ZINC000672311501 493755272 /nfs/dbraw/zinc/75/52/72/493755272.db2.gz FFSRBFHZZIQAGE-UAGQMJEPSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H]1C ZINC000672311501 493755273 /nfs/dbraw/zinc/75/52/73/493755273.db2.gz FFSRBFHZZIQAGE-UAGQMJEPSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410431100 527802621 /nfs/dbraw/zinc/80/26/21/527802621.db2.gz GSCNZDZEOWYNKL-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410431100 527802623 /nfs/dbraw/zinc/80/26/23/527802623.db2.gz GSCNZDZEOWYNKL-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000410494962 527805585 /nfs/dbraw/zinc/80/55/85/527805585.db2.gz UBDDVXZZYHRWTJ-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000410494962 527805591 /nfs/dbraw/zinc/80/55/91/527805591.db2.gz UBDDVXZZYHRWTJ-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000410845233 527823970 /nfs/dbraw/zinc/82/39/70/527823970.db2.gz QMQVWNMIESDFTK-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000410845233 527823976 /nfs/dbraw/zinc/82/39/76/527823976.db2.gz QMQVWNMIESDFTK-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410946141 527891076 /nfs/dbraw/zinc/89/10/76/527891076.db2.gz PAUHQAAKJBZJLD-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410945931 527891647 /nfs/dbraw/zinc/89/16/47/527891647.db2.gz ONPPYLUKEYESLN-BBWFWOEESA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000410945931 527891652 /nfs/dbraw/zinc/89/16/52/527891652.db2.gz ONPPYLUKEYESLN-BBWFWOEESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000411027613 529059576 /nfs/dbraw/zinc/05/95/76/529059576.db2.gz OVASTLAAWKZIOJ-IAGOWNOFSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419131304 535200691 /nfs/dbraw/zinc/20/06/91/535200691.db2.gz CJAXXIFFFVWXIU-ZDUSSCGKSA-N 1 3 352.504 0.930 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419756987 535296656 /nfs/dbraw/zinc/29/66/56/535296656.db2.gz BXJLEFSPQKXVPR-DLBZAZTESA-N 1 3 364.465 0.927 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419756987 535296661 /nfs/dbraw/zinc/29/66/61/535296661.db2.gz BXJLEFSPQKXVPR-DLBZAZTESA-N 1 3 364.465 0.927 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839705 535522940 /nfs/dbraw/zinc/52/29/40/535522940.db2.gz HUJSGAAJULQEHA-CYBMUJFWSA-N 1 3 366.428 0.977 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860233 535597371 /nfs/dbraw/zinc/59/73/71/535597371.db2.gz KRCWEYSHQZYXNF-ROUUACIJSA-N 1 3 373.501 0.748 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972897 535856598 /nfs/dbraw/zinc/85/65/98/535856598.db2.gz ZYEZGBYMMMKCHP-IRXDYDNUSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972895 535856701 /nfs/dbraw/zinc/85/67/01/535856701.db2.gz ZYEZGBYMMMKCHP-DLBZAZTESA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419877820 535863457 /nfs/dbraw/zinc/86/34/57/535863457.db2.gz IVJCIDDANOPDKL-OAHLLOKOSA-N 1 3 352.866 0.708 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423368786 535865872 /nfs/dbraw/zinc/86/58/72/535865872.db2.gz NNZDOQLCYWSEPJ-USXIJHARSA-N 1 3 362.474 0.756 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000419216349 535903809 /nfs/dbraw/zinc/90/38/09/535903809.db2.gz OZERFOJAXGDJMU-UHFFFAOYSA-N 1 3 362.474 0.441 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419779714 536349929 /nfs/dbraw/zinc/34/99/29/536349929.db2.gz PQMOOVCXRNAJID-INIZCTEOSA-N 1 3 368.522 0.579 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000419194813 536368069 /nfs/dbraw/zinc/36/80/69/536368069.db2.gz UETYGWUTSRWTPC-GOSISDBHSA-N 1 3 358.486 0.630 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419152547 536417209 /nfs/dbraw/zinc/41/72/09/536417209.db2.gz ONSOEZFPFCUGDD-GJZGRUSLSA-N 1 3 364.515 0.897 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000419757788 536481070 /nfs/dbraw/zinc/48/10/70/536481070.db2.gz DCZVMSZNVOINJK-ROUUACIJSA-N 1 3 358.486 0.867 20 0 FCADHO COCCCN1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424164231 536546358 /nfs/dbraw/zinc/54/63/58/536546358.db2.gz YTNDASICWKHMIX-OAHLLOKOSA-N 1 3 350.467 0.433 20 0 FCADHO COC[C@@]1(CNC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000641800258 546959638 /nfs/dbraw/zinc/95/96/38/546959638.db2.gz AYMWYGDFBCASOR-WMZOPIPTSA-N 1 3 353.511 0.176 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574187 547041200 /nfs/dbraw/zinc/04/12/00/547041200.db2.gz LDKBMPWQRSTOEI-RDTXWAMCSA-N 1 3 355.479 0.223 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574187 547041201 /nfs/dbraw/zinc/04/12/01/547041201.db2.gz LDKBMPWQRSTOEI-RDTXWAMCSA-N 1 3 355.479 0.223 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000550835717 547109805 /nfs/dbraw/zinc/10/98/05/547109805.db2.gz MCTBGMKJPCQISV-QAPCUYQASA-N 1 3 370.563 0.777 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000550835717 547109809 /nfs/dbraw/zinc/10/98/09/547109809.db2.gz MCTBGMKJPCQISV-QAPCUYQASA-N 1 3 370.563 0.777 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550903877 547114298 /nfs/dbraw/zinc/11/42/98/547114298.db2.gz LARHLENHJVOUFE-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550903877 547114304 /nfs/dbraw/zinc/11/43/04/547114304.db2.gz LARHLENHJVOUFE-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCC12CCN(C)CC2)C[NH+]1CCCC1 ZINC000551110833 547126411 /nfs/dbraw/zinc/12/64/11/547126411.db2.gz BGHPCNSSMFTILU-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000552364060 547204980 /nfs/dbraw/zinc/20/49/80/547204980.db2.gz UBCNKMBHNMQVDN-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000552364060 547204985 /nfs/dbraw/zinc/20/49/85/547204985.db2.gz UBCNKMBHNMQVDN-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000553267514 547265111 /nfs/dbraw/zinc/26/51/11/547265111.db2.gz XIIFWIGWMIJFHR-AWEZNQCLSA-N 1 3 354.495 0.202 20 0 FCADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nc(C)cs1 ZINC000553669591 547299633 /nfs/dbraw/zinc/29/96/33/547299633.db2.gz HICLQHRAMYDDCQ-AWEZNQCLSA-N 1 3 369.535 0.971 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000950248441 674423574 /nfs/dbraw/zinc/42/35/74/674423574.db2.gz XHZQNVZXXULCCP-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCC(C)(C)C2)CC[N@H+]1C ZINC000950248441 674423575 /nfs/dbraw/zinc/42/35/75/674423575.db2.gz XHZQNVZXXULCCP-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC[N@@H+]1C ZINC000954413346 674497055 /nfs/dbraw/zinc/49/70/55/674497055.db2.gz ZMLNWKFKNMXKKQ-GVDBMIGSSA-N 1 3 352.523 0.972 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC[N@H+]1C ZINC000954413346 674497057 /nfs/dbraw/zinc/49/70/57/674497057.db2.gz ZMLNWKFKNMXKKQ-GVDBMIGSSA-N 1 3 352.523 0.972 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000955110046 674509318 /nfs/dbraw/zinc/50/93/18/674509318.db2.gz KITOFSHGVAXHCU-NVXWUHKLSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCC(C)CC3)C2)CC[N@H+]1C ZINC000955110046 674509322 /nfs/dbraw/zinc/50/93/22/674509322.db2.gz KITOFSHGVAXHCU-NVXWUHKLSA-N 1 3 350.507 0.728 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891480309 663408724 /nfs/dbraw/zinc/40/87/24/663408724.db2.gz AYIJSFKKDOZBOY-HDMKZQKVSA-N 1 3 351.495 0.513 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891480313 663408907 /nfs/dbraw/zinc/40/89/07/663408907.db2.gz AYIJSFKKDOZBOY-RLFYNMQTSA-N 1 3 351.495 0.513 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891484329 663409134 /nfs/dbraw/zinc/40/91/34/663409134.db2.gz UPXBQRWFUSNTRC-HOTGVXAUSA-N 1 3 353.511 0.842 20 0 FCADHO C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000891600570 663417853 /nfs/dbraw/zinc/41/78/53/663417853.db2.gz CRVIVRPTAZKAGO-MCIONIFRSA-N 1 3 365.444 0.649 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)N(C)C ZINC001022223355 663421219 /nfs/dbraw/zinc/42/12/19/663421219.db2.gz DIBQZUVVIOIAMF-YESZJQIVSA-N 1 3 350.507 0.728 20 0 FCADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933848608 663444740 /nfs/dbraw/zinc/44/47/40/663444740.db2.gz PPYZTQMVJFUPQY-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CN1CCN(CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000891880951 663446017 /nfs/dbraw/zinc/44/60/17/663446017.db2.gz QCLBUFFIEWLKTC-CHWSQXEVSA-N 1 3 365.444 0.791 20 0 FCADHO C[C@H]1C[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]1 ZINC000892096933 663475764 /nfs/dbraw/zinc/47/57/64/663475764.db2.gz KJSIXSDEASKMQC-LSDHHAIUSA-N 1 3 351.495 0.642 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000892336032 663574637 /nfs/dbraw/zinc/57/46/37/663574637.db2.gz YKNSQCPOSRGQBJ-DLBZAZTESA-N 1 3 354.495 0.338 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCCN(CCCO)C1 ZINC000892758054 664137513 /nfs/dbraw/zinc/13/75/13/664137513.db2.gz GWTNHTDGQWAKTE-HOTGVXAUSA-N 1 3 354.495 0.291 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892820856 664146575 /nfs/dbraw/zinc/14/65/75/664146575.db2.gz WRONKVPUKAXYMP-WCXIOVBPSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892820856 664146578 /nfs/dbraw/zinc/14/65/78/664146578.db2.gz WRONKVPUKAXYMP-WCXIOVBPSA-N 1 3 352.479 0.090 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)N(C)C ZINC000974593069 664267419 /nfs/dbraw/zinc/26/74/19/664267419.db2.gz VFKNMPTZZHTZFN-IXDOHACOSA-N 1 3 350.507 0.728 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000976595458 664390588 /nfs/dbraw/zinc/39/05/88/664390588.db2.gz KIFWTIBDABSPRV-FFRIZKCHSA-N 1 3 350.507 0.486 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000976595458 664390591 /nfs/dbraw/zinc/39/05/91/664390591.db2.gz KIFWTIBDABSPRV-FFRIZKCHSA-N 1 3 350.507 0.486 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)N(C)C ZINC000976609517 664392097 /nfs/dbraw/zinc/39/20/97/664392097.db2.gz NNALZEKTLLRSRF-ZDGDKENJSA-N 1 3 350.507 0.630 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)N(C)C ZINC000976609517 664392100 /nfs/dbraw/zinc/39/21/00/664392100.db2.gz NNALZEKTLLRSRF-ZDGDKENJSA-N 1 3 350.507 0.630 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894163737 664902079 /nfs/dbraw/zinc/90/20/79/664902079.db2.gz GQGNDYMXDOYLGB-IAGOWNOFSA-N 1 3 356.511 0.585 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727084473 665024393 /nfs/dbraw/zinc/02/43/93/665024393.db2.gz DTLWNSSRYGBZIP-HNNXBMFYSA-N 1 3 371.595 0.981 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC)N(C)C ZINC000985164997 665138321 /nfs/dbraw/zinc/13/83/21/665138321.db2.gz YQEIOMFCLVGQPJ-XHSDSOJGSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897433239 665258698 /nfs/dbraw/zinc/25/86/98/665258698.db2.gz SPCFFPCJIRZPOU-INIZCTEOSA-N 1 3 353.511 0.524 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897433239 665258701 /nfs/dbraw/zinc/25/87/01/665258701.db2.gz SPCFFPCJIRZPOU-INIZCTEOSA-N 1 3 353.511 0.524 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000888169349 665284892 /nfs/dbraw/zinc/28/48/92/665284892.db2.gz HNDPEGRIPHFEAK-CVEARBPZSA-N 1 3 353.511 0.868 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000888169349 665284893 /nfs/dbraw/zinc/28/48/93/665284893.db2.gz HNDPEGRIPHFEAK-CVEARBPZSA-N 1 3 353.511 0.868 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911561476 666366365 /nfs/dbraw/zinc/36/63/65/666366365.db2.gz HAQDSBWKUORQLJ-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000938681396 666477245 /nfs/dbraw/zinc/47/72/45/666477245.db2.gz MEGNFTFMFQQRAW-OWCLPIDISA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000938681396 666477249 /nfs/dbraw/zinc/47/72/49/666477249.db2.gz MEGNFTFMFQQRAW-OWCLPIDISA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000912811523 666479265 /nfs/dbraw/zinc/47/92/65/666479265.db2.gz KLZZMVGYBLRYPA-IKGGRYGDSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000940756303 666561432 /nfs/dbraw/zinc/56/14/32/666561432.db2.gz SSFVTODCOVKLEH-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC[N@H+]1C ZINC000940756303 666561434 /nfs/dbraw/zinc/56/14/34/666561434.db2.gz SSFVTODCOVKLEH-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992316155 666633283 /nfs/dbraw/zinc/63/32/83/666633283.db2.gz AKYKZIVHTATZAZ-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992316155 666633286 /nfs/dbraw/zinc/63/32/86/666633286.db2.gz AKYKZIVHTATZAZ-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CCOCCOCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500552 666872963 /nfs/dbraw/zinc/87/29/63/666872963.db2.gz OOMTZWXCWBAOKE-UHFFFAOYSA-N 1 3 356.511 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CCN(C)C1)c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC000732911752 666909721 /nfs/dbraw/zinc/90/97/21/666909721.db2.gz GWIZWIQAXVXVAA-QWHCGFSZSA-N 1 3 365.503 0.626 20 0 FCADHO CN(C(=O)[C@@H]1CCN(C)C1)c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC000732911752 666909724 /nfs/dbraw/zinc/90/97/24/666909724.db2.gz GWIZWIQAXVXVAA-QWHCGFSZSA-N 1 3 365.503 0.626 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994031513 666959070 /nfs/dbraw/zinc/95/90/70/666959070.db2.gz IJTRVLUHWSLAAJ-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994031513 666959071 /nfs/dbraw/zinc/95/90/71/666959071.db2.gz IJTRVLUHWSLAAJ-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)CCOCC1 ZINC000918666340 667130500 /nfs/dbraw/zinc/13/05/00/667130500.db2.gz PLRDONNJDUJAFP-INIZCTEOSA-N 1 3 354.495 0.650 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001001889671 667513970 /nfs/dbraw/zinc/51/39/70/667513970.db2.gz QYAVVQQVGWNEEW-DJIMGWMZSA-N 1 3 350.507 0.774 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001001889671 667513973 /nfs/dbraw/zinc/51/39/73/667513973.db2.gz QYAVVQQVGWNEEW-DJIMGWMZSA-N 1 3 350.507 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC001002262069 667527688 /nfs/dbraw/zinc/52/76/88/667527688.db2.gz BYBFSZVFXMJHMX-GVDBMIGSSA-N 1 3 350.507 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC001002262069 667527691 /nfs/dbraw/zinc/52/76/91/667527691.db2.gz BYBFSZVFXMJHMX-GVDBMIGSSA-N 1 3 350.507 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000946804296 667728593 /nfs/dbraw/zinc/72/85/93/667728593.db2.gz JBLOIGMUFHREJA-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000946804296 667728600 /nfs/dbraw/zinc/72/86/00/667728600.db2.gz JBLOIGMUFHREJA-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001034217807 667749868 /nfs/dbraw/zinc/74/98/68/667749868.db2.gz VINUYZMUATURFZ-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001034217807 667749872 /nfs/dbraw/zinc/74/98/72/667749872.db2.gz VINUYZMUATURFZ-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(=O)Nc1ccc(OC[C@@H](O)CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000923287685 667822596 /nfs/dbraw/zinc/82/25/96/667822596.db2.gz VTFDWQICQXWVOL-KRWDZBQOSA-N 1 3 350.463 0.222 20 0 FCADHO CC(C)OCC[C@H](O)CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378448 667829336 /nfs/dbraw/zinc/82/93/36/667829336.db2.gz CKIXSMWVFRDNOY-YESZJQIVSA-N 1 3 354.495 0.383 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000946909155 667841996 /nfs/dbraw/zinc/84/19/96/667841996.db2.gz ICTRIKGKIGIGLA-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000946909155 667841998 /nfs/dbraw/zinc/84/19/98/667841998.db2.gz ICTRIKGKIGIGLA-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000793738757 668947199 /nfs/dbraw/zinc/94/71/99/668947199.db2.gz UKWBSDDAMXVJKC-MRXNPFEDSA-N 1 3 350.507 0.966 20 0 FCADHO C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1(CN)CCC1 ZINC000843389378 670811461 /nfs/dbraw/zinc/81/14/61/670811461.db2.gz QWRGVGGDXURNIH-UHFFFAOYSA-N 1 3 351.451 0.476 20 0 FCADHO C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1(CN)CCC1 ZINC000843389378 670811466 /nfs/dbraw/zinc/81/14/66/670811466.db2.gz QWRGVGGDXURNIH-UHFFFAOYSA-N 1 3 351.451 0.476 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000968011454 675178045 /nfs/dbraw/zinc/17/80/45/675178045.db2.gz CDMCAZHJAHWWRV-KBRIMQKVSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000968011454 675178048 /nfs/dbraw/zinc/17/80/48/675178048.db2.gz CDMCAZHJAHWWRV-KBRIMQKVSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(CC)C(=O)CN1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733099 675965027 /nfs/dbraw/zinc/96/50/27/675965027.db2.gz JQLIACUGTIALHE-PKOBYXMFSA-N 1 3 352.523 0.631 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736240 675965196 /nfs/dbraw/zinc/96/51/96/675965196.db2.gz ITCJNRRIBSRVJW-QGZVFWFLSA-N 1 3 352.523 0.631 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000863752314 672149741 /nfs/dbraw/zinc/14/97/41/672149741.db2.gz CVTMBDXYKAOQQV-LBPRGKRZSA-N 1 3 356.417 0.661 20 0 FCADHO CCn1[nH]c(C)nc1=NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000888529046 672425656 /nfs/dbraw/zinc/42/56/56/672425656.db2.gz NWFNVHVPLGRMSD-OAHLLOKOSA-N 1 3 351.499 0.908 20 0 FCADHO CCn1[nH]c(C)nc1=NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000888529046 672425658 /nfs/dbraw/zinc/42/56/58/672425658.db2.gz NWFNVHVPLGRMSD-OAHLLOKOSA-N 1 3 351.499 0.908 20 0 FCADHO O=S(=O)(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCNCC1 ZINC000923607221 672425869 /nfs/dbraw/zinc/42/58/69/672425869.db2.gz YPKZTUFPMSBNBI-QGZVFWFLSA-N 1 3 352.504 0.291 20 0 FCADHO O=S(=O)(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCNCC1 ZINC000923607221 672425870 /nfs/dbraw/zinc/42/58/70/672425870.db2.gz YPKZTUFPMSBNBI-QGZVFWFLSA-N 1 3 352.504 0.291 20 0 FCADHO C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923613592 672443442 /nfs/dbraw/zinc/44/34/42/672443442.db2.gz YIVAKUCNMFABEX-OAHLLOKOSA-N 1 3 352.504 0.952 20 0 FCADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923622889 672510593 /nfs/dbraw/zinc/51/05/93/672510593.db2.gz TXMFHZRBJAMDFJ-GOSISDBHSA-N 1 3 366.531 0.980 20 0 FCADHO CN1CCN(CCCNC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000876779315 672979694 /nfs/dbraw/zinc/97/96/94/672979694.db2.gz APVQDVLPCLKOTR-UHFFFAOYSA-N 1 3 351.520 0.977 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@@H](C)C(=O)NC)CC3)CC[N@@H+]1C ZINC001050524042 676085555 /nfs/dbraw/zinc/08/55/55/676085555.db2.gz RMWPHKXXGBRQEV-HRCADAONSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@@H](C)C(=O)NC)CC3)CC[N@H+]1C ZINC001050524042 676085559 /nfs/dbraw/zinc/08/55/59/676085559.db2.gz RMWPHKXXGBRQEV-HRCADAONSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402680 673013010 /nfs/dbraw/zinc/01/30/10/673013010.db2.gz HWJONLHLLJAFRR-HZPDHXFCSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402675 673013065 /nfs/dbraw/zinc/01/30/65/673013065.db2.gz HWJONLHLLJAFRR-CVEARBPZSA-N 1 3 350.507 0.825 20 0 FCADHO N[C@H](CC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000884287619 673444409 /nfs/dbraw/zinc/44/44/09/673444409.db2.gz HNNNSQFSHNVZOL-QGZVFWFLSA-N 1 3 350.507 0.955 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884576177 673463185 /nfs/dbraw/zinc/46/31/85/673463185.db2.gz BKBHGEZIMFDPQI-VQIMIIECSA-N 1 3 350.507 0.827 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884616924 673466332 /nfs/dbraw/zinc/46/63/32/673466332.db2.gz FENKXIMUXJPGQV-APWZRJJASA-N 1 3 350.507 0.969 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664741 673470670 /nfs/dbraw/zinc/47/06/70/673470670.db2.gz TZQJUCIRXDMLRK-QKPAOTATSA-N 1 3 350.507 0.870 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884664145 673470721 /nfs/dbraw/zinc/47/07/21/673470721.db2.gz DTMWVWBOIIYRPX-CHWSQXEVSA-N 1 3 360.449 0.584 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884664146 673470747 /nfs/dbraw/zinc/47/07/47/673470747.db2.gz DTMWVWBOIIYRPX-OLZOCXBDSA-N 1 3 360.449 0.584 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884786594 673482284 /nfs/dbraw/zinc/48/22/84/673482284.db2.gz RXAZOCGCNNHWBW-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884786593 673482341 /nfs/dbraw/zinc/48/23/41/673482341.db2.gz RXAZOCGCNNHWBW-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO COCCC[NH+]1CCC(N2C(=O)N[C@H](CN3CCCCC3)C2=O)CC1 ZINC000924581957 673758900 /nfs/dbraw/zinc/75/89/00/673758900.db2.gz OCPBQEBQHDSPJX-MRXNPFEDSA-N 1 3 352.479 0.894 20 0 FCADHO COC1CC[NH+](C2(CN3C(=O)N[C@@H](CN(C)C)C3=O)CCCC2)CC1 ZINC000924610141 673759500 /nfs/dbraw/zinc/75/95/00/673759500.db2.gz YKJGMIKRKYWGNT-HNNXBMFYSA-N 1 3 352.479 0.892 20 0 FCADHO C[C@@H]1C[N@H+](CCCN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741185 673762318 /nfs/dbraw/zinc/76/23/18/673762318.db2.gz GJABVUTYYNQTNS-CVEARBPZSA-N 1 3 352.479 0.894 20 0 FCADHO C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741185 673762321 /nfs/dbraw/zinc/76/23/21/673762321.db2.gz GJABVUTYYNQTNS-CVEARBPZSA-N 1 3 352.479 0.894 20 0 FCADHO CC[C@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040707524 675469115 /nfs/dbraw/zinc/46/91/15/675469115.db2.gz DMMXMVMYNAKBJA-BZUAXINKSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040707524 675469117 /nfs/dbraw/zinc/46/91/17/675469117.db2.gz DMMXMVMYNAKBJA-BZUAXINKSA-N 1 3 350.507 0.905 20 0 FCADHO CNC(=O)[C@@H](C)N1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040708676 675469193 /nfs/dbraw/zinc/46/91/93/675469193.db2.gz XRVLVVBODZNLMT-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CNC(=O)[C@@H](C)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040708676 675469195 /nfs/dbraw/zinc/46/91/95/675469195.db2.gz XRVLVVBODZNLMT-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356190 1170005619 /nfs/dbraw/zinc/00/56/19/1170005619.db2.gz RLYKNFWJUDRQFA-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087175358 1170872835 /nfs/dbraw/zinc/87/28/35/1170872835.db2.gz JNHICHSCQBMXKS-KBMXLJTQSA-N 1 3 364.490 0.493 20 0 FCADHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001691251410 1170890642 /nfs/dbraw/zinc/89/06/42/1170890642.db2.gz WUXMTXWLNNZYPL-MELADBBJSA-N 1 3 369.510 0.422 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](OCC)C1 ZINC001691335325 1171133600 /nfs/dbraw/zinc/13/36/00/1171133600.db2.gz BCLOYKQBEHUYED-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3CN(C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083236139 1171548678 /nfs/dbraw/zinc/54/86/78/1171548678.db2.gz MVEFDFMOJQHFRH-BPQIPLTHSA-N 1 3 367.490 0.045 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC001022722307 1171814905 /nfs/dbraw/zinc/81/49/05/1171814905.db2.gz ZOGBTRDTLGFXIS-YESZJQIVSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC001022722307 1171814907 /nfs/dbraw/zinc/81/49/07/1171814907.db2.gz ZOGBTRDTLGFXIS-YESZJQIVSA-N 1 3 362.518 0.872 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724670 1171821198 /nfs/dbraw/zinc/82/11/98/1171821198.db2.gz BFGGRHDSLMBCGH-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724670 1171821200 /nfs/dbraw/zinc/82/12/00/1171821200.db2.gz BFGGRHDSLMBCGH-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000892267141 1171878906 /nfs/dbraw/zinc/87/89/06/1171878906.db2.gz SFVBOMNXFLXNPU-OAHLLOKOSA-N 1 3 363.506 0.644 20 0 FCADHO CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433773 1172143853 /nfs/dbraw/zinc/14/38/53/1172143853.db2.gz WXTGCOSWTSAZGC-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000897669442 1192840367 /nfs/dbraw/zinc/84/03/67/1192840367.db2.gz UQTBWLGQSOYNQG-NVXWUHKLSA-N 1 3 371.485 0.719 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)CCC1 ZINC000972637736 1180088642 /nfs/dbraw/zinc/08/86/42/1180088642.db2.gz AIKDMXAZFGYBFA-IAGOWNOFSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)C1 ZINC000972639273 1180095681 /nfs/dbraw/zinc/09/56/81/1180095681.db2.gz YIZLGDBKTWCQFX-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)C1 ZINC000972639273 1180095688 /nfs/dbraw/zinc/09/56/88/1180095688.db2.gz YIZLGDBKTWCQFX-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CC1 ZINC000972644728 1180166029 /nfs/dbraw/zinc/16/60/29/1180166029.db2.gz QTPNIOYZRVOTNI-ZACQAIPSSA-N 1 3 360.502 0.482 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001104680922 1182362199 /nfs/dbraw/zinc/36/21/99/1182362199.db2.gz ZHHQDHOXJYWPJX-LZLYRXPVSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC000974582764 1183362697 /nfs/dbraw/zinc/36/26/97/1183362697.db2.gz DRNNROIXFMIWQU-BRWVUGGUSA-N 1 3 360.502 0.483 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974585114 1183365345 /nfs/dbraw/zinc/36/53/45/1183365345.db2.gz URRKVXUYQJHKDM-GVDBMIGSSA-N 1 3 360.502 0.626 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CN(CCCO)CC2(C)C)CC1 ZINC000974596116 1183373925 /nfs/dbraw/zinc/37/39/25/1183373925.db2.gz ODRFVHPYLKOEBC-SQNIBIBYSA-N 1 3 367.534 0.942 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)CC[N@@H+]1C ZINC000976100075 1185884978 /nfs/dbraw/zinc/88/49/78/1185884978.db2.gz REGKKHLKYNIEPN-WTTBNOFXSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)CC[N@H+]1C ZINC000976100075 1185884979 /nfs/dbraw/zinc/88/49/79/1185884979.db2.gz REGKKHLKYNIEPN-WTTBNOFXSA-N 1 3 359.474 0.742 20 0 FCADHO CCOC(=O)C(C(=O)OCC)c1ccnc(NC(=N)NCCCC[NH3+])n1 ZINC001167878031 1186638255 /nfs/dbraw/zinc/63/82/55/1186638255.db2.gz MWDZWRUKESMMLA-UHFFFAOYSA-N 1 3 366.422 0.362 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211729578 1187511828 /nfs/dbraw/zinc/51/18/28/1187511828.db2.gz CZMGDRHDYZPZMV-RBUKOAKNSA-N 1 3 363.502 0.920 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)CN2CCCC2)CC3)CC1 ZINC001270096147 1188005608 /nfs/dbraw/zinc/00/56/08/1188005608.db2.gz RJBDNAJTSPUJAV-KRWDZBQOSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@H](C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1)N1CCCC1 ZINC001270491794 1188172110 /nfs/dbraw/zinc/17/21/10/1188172110.db2.gz YHYCXQFAISALHV-VQIMIIECSA-N 1 3 366.506 0.110 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536028 1188346794 /nfs/dbraw/zinc/34/67/94/1188346794.db2.gz MTHARWSUAQRZTB-KXBFYZLASA-N 1 3 361.490 0.943 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994884 1190148115 /nfs/dbraw/zinc/14/81/15/1190148115.db2.gz IOPDOBSGZDTVHQ-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994884 1190148118 /nfs/dbraw/zinc/14/81/18/1190148118.db2.gz IOPDOBSGZDTVHQ-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106665 1190593563 /nfs/dbraw/zinc/59/35/63/1190593563.db2.gz LPAAGTPGGOQEHV-KURKYZTESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106665 1190593575 /nfs/dbraw/zinc/59/35/75/1190593575.db2.gz LPAAGTPGGOQEHV-KURKYZTESA-N 1 3 362.518 0.731 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000985825177 1190825357 /nfs/dbraw/zinc/82/53/57/1190825357.db2.gz XHVGGIDLDLZLLO-IXDOHACOSA-N 1 3 360.502 0.483 20 0 FCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC000986138927 1190903988 /nfs/dbraw/zinc/90/39/88/1190903988.db2.gz ZYEYUFWMHKMEHA-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC000986138927 1190903992 /nfs/dbraw/zinc/90/39/92/1190903992.db2.gz ZYEYUFWMHKMEHA-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC000986681993 1191075161 /nfs/dbraw/zinc/07/51/61/1191075161.db2.gz WKWCJDYGJPZJRT-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC000986681993 1191075164 /nfs/dbraw/zinc/07/51/64/1191075164.db2.gz WKWCJDYGJPZJRT-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCCN1CCCC1=O ZINC001088568702 1191206569 /nfs/dbraw/zinc/20/65/69/1191206569.db2.gz RGTALIHWYCRYRU-NJAFHUGGSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C[C@@H](O)Cn1cccn1 ZINC001088702132 1193800252 /nfs/dbraw/zinc/80/02/52/1193800252.db2.gz FAFCGQWMJBQYPX-ZACQAIPSSA-N 1 3 361.490 0.451 20 0 FCADHO CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105654839 1193859315 /nfs/dbraw/zinc/85/93/15/1193859315.db2.gz BUWUFVDWDLZMGD-ZAWLATJESA-N 1 3 364.490 0.955 20 0 FCADHO O=C(Nc1cc(-c2ccccc2)nn1CCO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218597170 1224179020 /nfs/dbraw/zinc/17/90/20/1224179020.db2.gz XIOWWRIMTJULFT-DNVCBOLYSA-N 1 3 355.442 0.680 20 0 FCADHO COc1nccc(N)c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218634447 1224186982 /nfs/dbraw/zinc/18/69/82/1224186982.db2.gz UHGWLAQLBWKPHC-STQMWFEESA-N 1 3 364.450 0.058 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000842220734 1194105461 /nfs/dbraw/zinc/10/54/61/1194105461.db2.gz HMHTZDBUCWRYTE-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[NH2+]1 ZINC000842267281 1194143460 /nfs/dbraw/zinc/14/34/60/1194143460.db2.gz WFNJSWSRPCUFIM-WMZOPIPTSA-N 1 3 360.502 0.876 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696295 1224197911 /nfs/dbraw/zinc/19/79/11/1224197911.db2.gz RDEVYUYSYRPESM-WFASDCNBSA-N 1 3 360.462 0.087 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)CC1 ZINC001076418590 1194466664 /nfs/dbraw/zinc/46/66/64/1194466664.db2.gz GBUMRQRMFZIILL-ZWKOTPCHSA-N 1 3 360.506 0.931 20 0 FCADHO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC001076604171 1194589037 /nfs/dbraw/zinc/58/90/37/1194589037.db2.gz QCGNYUYEWATGEP-RCCFBDPRSA-N 1 3 356.470 0.783 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563447 1195222365 /nfs/dbraw/zinc/22/23/65/1195222365.db2.gz QDDAQLXBMWSHJI-KURKYZTESA-N 1 3 365.518 0.983 20 0 FCADHO O=C(N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077218989 1195327196 /nfs/dbraw/zinc/32/71/96/1195327196.db2.gz DUBDMGGGVRYLEO-RCCFBDPRSA-N 1 3 365.518 0.840 20 0 FCADHO CCO[C@H](CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CC1 ZINC001218965315 1224273196 /nfs/dbraw/zinc/27/31/96/1224273196.db2.gz JQEWXLFZQXYWAK-RCCFBDPRSA-N 1 3 363.502 0.809 20 0 FCADHO O=C(NCc1cccnc1)c1cccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218974225 1224276193 /nfs/dbraw/zinc/27/61/93/1224276193.db2.gz HSXTVSWQNQTWOI-QGZVFWFLSA-N 1 3 365.437 0.759 20 0 FCADHO C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ccc(C2([NH3+])CCC2)cc1)C(N)=O ZINC001218973437 1224276319 /nfs/dbraw/zinc/27/63/19/1224276319.db2.gz GQEBILZBYGMYJJ-SMDDNHRTSA-N 1 3 361.446 0.061 20 0 FCADHO O=C(Nc1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cnccn1 ZINC001219020886 1224296089 /nfs/dbraw/zinc/29/60/89/1224296089.db2.gz QQAPSMMQXKVCAY-BFUOFWGJSA-N 1 3 366.425 0.867 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911270547 1195925147 /nfs/dbraw/zinc/92/51/47/1195925147.db2.gz YMTMGZAVCZYVCF-DLBZAZTESA-N 1 3 367.538 0.025 20 0 FCADHO COC(=O)C1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000593737602 1196652007 /nfs/dbraw/zinc/65/20/07/1196652007.db2.gz PTMSWWJYZDPQEM-YESZJQIVSA-N 1 3 367.490 0.616 20 0 FCADHO [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001219290762 1224416699 /nfs/dbraw/zinc/41/66/99/1224416699.db2.gz KUCJZKONWOQQPQ-AWEZNQCLSA-N 1 3 363.437 0.022 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274356 1197743325 /nfs/dbraw/zinc/74/33/25/1197743325.db2.gz HITDELSPWBGJTD-RCCFBDPRSA-N 1 3 366.506 0.792 20 0 FCADHO Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CN(C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723697 1197756610 /nfs/dbraw/zinc/75/66/10/1197756610.db2.gz WRPXNSJLNJHCTD-CEXWTWQISA-N 1 3 361.486 0.766 20 0 FCADHO Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CN(C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723697 1197756621 /nfs/dbraw/zinc/75/66/21/1197756621.db2.gz WRPXNSJLNJHCTD-CEXWTWQISA-N 1 3 361.486 0.766 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106244479 1197775808 /nfs/dbraw/zinc/77/58/08/1197775808.db2.gz LZHGWASSCGFXOV-BRWVUGGUSA-N 1 3 363.506 0.412 20 0 FCADHO Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)n1 ZINC001106249656 1197782276 /nfs/dbraw/zinc/78/22/76/1197782276.db2.gz MHIPUXSMAMCYFI-FSPWUOQZSA-N 1 3 362.522 0.919 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106248012 1197782585 /nfs/dbraw/zinc/78/25/85/1197782585.db2.gz GWIXCBMNZYUMPM-HUUCEWRRSA-N 1 3 364.490 0.304 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249832 1197787529 /nfs/dbraw/zinc/78/75/29/1197787529.db2.gz SHGQJTXYSWXLLS-QGPMSJSTSA-N 1 3 368.522 0.163 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282051 1197826043 /nfs/dbraw/zinc/82/60/43/1197826043.db2.gz QUHZXJMLSJNYNR-NUJGCVRESA-N 1 3 370.538 0.409 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106336105 1197867989 /nfs/dbraw/zinc/86/79/89/1197867989.db2.gz CJJOBGNQZAARAA-MGPQQGTHSA-N 1 3 369.510 0.245 20 0 FCADHO COc1cc2c(cc1NC(=O)C[C@H]1CNCCO1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501587 1224489047 /nfs/dbraw/zinc/48/90/47/1224489047.db2.gz XIGOKOUQRXKLJK-BBATYDOGSA-N 1 3 360.414 0.195 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@H](N)Cc1c[nH]cn1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498347 1224488330 /nfs/dbraw/zinc/48/83/30/1224488330.db2.gz WTMJCOMIAZWEOK-KZULUSFZSA-N 1 3 370.413 0.110 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@H](N)Cc1cnc[nH]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498347 1224488334 /nfs/dbraw/zinc/48/83/34/1224488334.db2.gz WTMJCOMIAZWEOK-KZULUSFZSA-N 1 3 370.413 0.110 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1CCC3(CNC3)O1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501518 1224489424 /nfs/dbraw/zinc/48/94/24/1224489424.db2.gz VVLJYYATJIUKIU-IFXJQAMLSA-N 1 3 372.425 0.338 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)cc(=O)oc2c1 ZINC001219589533 1224518889 /nfs/dbraw/zinc/51/88/89/1224518889.db2.gz VTJXYUSIZDEEQY-RBOXIYTFSA-N 1 3 359.426 0.928 20 0 FCADHO C[C@H](CN)C[N@H+](C)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181350 1199055062 /nfs/dbraw/zinc/05/50/62/1199055062.db2.gz OHDXSTGJXDAVET-ZIAGYGMSSA-N 1 3 364.494 0.519 20 0 FCADHO C[C@H](CN)C[N@@H+](C)[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181350 1199055063 /nfs/dbraw/zinc/05/50/63/1199055063.db2.gz OHDXSTGJXDAVET-ZIAGYGMSSA-N 1 3 364.494 0.519 20 0 FCADHO O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617969 1224529589 /nfs/dbraw/zinc/52/95/89/1224529589.db2.gz SPFONQMIOYHSFC-JENIJYKNSA-N 1 3 364.465 0.029 20 0 FCADHO NC1(C(=O)NCc2noc3c2CNCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001219810917 1224628717 /nfs/dbraw/zinc/62/87/17/1224628717.db2.gz HCDMJXTXQBYNBD-UHFFFAOYSA-N 1 3 369.469 0.930 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000785521703 1200766563 /nfs/dbraw/zinc/76/65/63/1200766563.db2.gz VILPRKGWVLTOOE-IRXDYDNUSA-N 1 3 366.506 0.204 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112548695 1200774013 /nfs/dbraw/zinc/77/40/13/1200774013.db2.gz MGGJUTWLMRUODT-GLJUWKHASA-N 1 3 367.494 0.130 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787113597 1200863815 /nfs/dbraw/zinc/86/38/15/1200863815.db2.gz HRIJMHMFKARCLX-KRWDZBQOSA-N 1 3 368.522 0.545 20 0 FCADHO COc1cccc([C@H](N)CC(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838754 1224647758 /nfs/dbraw/zinc/64/77/58/1224647758.db2.gz UFKGHHGJSOSENZ-POZUXBRTSA-N 1 3 363.458 0.596 20 0 FCADHO Cc1ccc([C@@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)N2CCC[NH2+]CC2)cc1 ZINC001219848060 1224652768 /nfs/dbraw/zinc/65/27/68/1224652768.db2.gz VWYVWCFZMJIFSJ-LWYYNNOASA-N 1 3 372.513 0.967 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCCCC1 ZINC000793715095 1201254343 /nfs/dbraw/zinc/25/43/43/1201254343.db2.gz WPCHGJVPPWARKL-MRXNPFEDSA-N 1 3 367.538 0.119 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CCCCC1 ZINC000793715095 1201254346 /nfs/dbraw/zinc/25/43/46/1201254346.db2.gz WPCHGJVPPWARKL-MRXNPFEDSA-N 1 3 367.538 0.119 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000793707985 1201260855 /nfs/dbraw/zinc/26/08/55/1201260855.db2.gz HIQWIJXUFSKHFW-INIZCTEOSA-N 1 3 359.474 0.721 20 0 FCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000793737391 1201263250 /nfs/dbraw/zinc/26/32/50/1201263250.db2.gz IHJMNFZBGWBLCT-HOTGVXAUSA-N 1 3 366.506 0.345 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129393918 1201295173 /nfs/dbraw/zinc/29/51/73/1201295173.db2.gz XLWCGSQFOXMVRH-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892289 1201416028 /nfs/dbraw/zinc/41/60/28/1201416028.db2.gz PQUJVNABPAWXED-IXDOHACOSA-N 1 3 364.494 0.386 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894691 1201428340 /nfs/dbraw/zinc/42/83/40/1201428340.db2.gz PPAOOYVXVVRROL-CVEARBPZSA-N 1 3 364.494 0.529 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129992209 1201470589 /nfs/dbraw/zinc/47/05/89/1201470589.db2.gz RLGIYPNXKKLBLH-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011905 1201471246 /nfs/dbraw/zinc/47/12/46/1201471246.db2.gz DOOZPFBBQSBDMS-CVEARBPZSA-N 1 3 366.510 0.634 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130137328 1201515214 /nfs/dbraw/zinc/51/52/14/1201515214.db2.gz UFNIWQJAANBWRX-BBWFWOEESA-N 1 3 364.494 0.529 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130137419 1201515267 /nfs/dbraw/zinc/51/52/67/1201515267.db2.gz YHCXFVWAPOPEIJ-SJORKVTESA-N 1 3 364.494 0.386 20 0 FCADHO CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[n-]1)[NH+](C)C ZINC001130221164 1201550431 /nfs/dbraw/zinc/55/04/31/1201550431.db2.gz XPIYMQRCIMXZLY-MJBXVCDLSA-N 1 3 370.473 0.583 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130220778 1201550814 /nfs/dbraw/zinc/55/08/14/1201550814.db2.gz LTKPLZZNHKUJRZ-DZKIICNBSA-N 1 3 364.494 0.632 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130221181 1201551244 /nfs/dbraw/zinc/55/12/44/1201551244.db2.gz YKLCGXVDDNLYLJ-OFQRWUPVSA-N 1 3 364.494 0.633 20 0 FCADHO O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@H]1CNCc2ccnn2C1 ZINC001219929742 1224686665 /nfs/dbraw/zinc/68/66/65/1224686665.db2.gz QZXZJURKKMRPFL-INIZCTEOSA-N 1 3 354.458 0.781 20 0 FCADHO CC(C)(C)OC(=O)C1(NC(=O)[C@@H](N)C2CCC(O)CC2)CCC([NH3+])CC1 ZINC001220039458 1224735096 /nfs/dbraw/zinc/73/50/96/1224735096.db2.gz FUFDJHBQMDJCHF-ZBUUCQELSA-N 1 3 369.506 0.963 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607719 1202733834 /nfs/dbraw/zinc/73/38/34/1202733834.db2.gz LWQGJXISTVXDNR-QILLFSRXSA-N 1 3 363.506 0.823 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130719297 1202765783 /nfs/dbraw/zinc/76/57/83/1202765783.db2.gz IBMZGLYFSBDGMK-XYJFISCASA-N 1 3 363.506 0.682 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010336 1202844155 /nfs/dbraw/zinc/84/41/55/1202844155.db2.gz JJUBTLUOEJTHNW-USXIJHARSA-N 1 3 363.506 0.823 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131071890 1202856552 /nfs/dbraw/zinc/85/65/52/1202856552.db2.gz BGWMFEXTWWJDKM-HZPDHXFCSA-N 1 3 363.506 0.682 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072244 1202856778 /nfs/dbraw/zinc/85/67/78/1202856778.db2.gz PGYDGNZPVDKTIQ-HZPDHXFCSA-N 1 3 365.522 0.928 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131092072 1202861355 /nfs/dbraw/zinc/86/13/55/1202861355.db2.gz ZYXLVHBOZKRKDT-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001131608782 1202920707 /nfs/dbraw/zinc/92/07/07/1202920707.db2.gz MTGVFVYMCMGPEA-JZXOWHBKSA-N 1 3 368.522 0.576 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001134120572 1203014920 /nfs/dbraw/zinc/01/49/20/1203014920.db2.gz CAYZFVXJWQYLFJ-SJORKVTESA-N 1 3 360.502 0.952 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001134120572 1203014922 /nfs/dbraw/zinc/01/49/22/1203014922.db2.gz CAYZFVXJWQYLFJ-SJORKVTESA-N 1 3 360.502 0.952 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817927201 1203124563 /nfs/dbraw/zinc/12/45/63/1203124563.db2.gz ZCKPQYQJZIZFTG-WMZOPIPTSA-N 1 3 360.502 0.815 20 0 FCADHO CN(C1CN(C(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671506 1203323719 /nfs/dbraw/zinc/32/37/19/1203323719.db2.gz SJVMPROUMSZHGW-UHOSZYNNSA-N 1 3 359.470 0.553 20 0 FCADHO CN(C1CN(C(=O)[C@@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671506 1203323721 /nfs/dbraw/zinc/32/37/21/1203323721.db2.gz SJVMPROUMSZHGW-UHOSZYNNSA-N 1 3 359.470 0.553 20 0 FCADHO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCc1ncn2c1CNCCC2 ZINC001220310974 1224825333 /nfs/dbraw/zinc/82/53/33/1224825333.db2.gz IVKLXTHXHNGNMT-ZDUSSCGKSA-N 1 3 365.478 0.832 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2cc(O[C@@H]3CCN(CCO)C3)ccn2)CC[N@@H+]1C ZINC001091401443 1204668290 /nfs/dbraw/zinc/66/82/90/1204668290.db2.gz YZSDFGKVUNVUMT-ZTFGCOKTSA-N 1 3 362.474 0.483 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2cc(O[C@@H]3CCN(CCO)C3)ccn2)CC[N@H+]1C ZINC001091401443 1204668297 /nfs/dbraw/zinc/66/82/97/1204668297.db2.gz YZSDFGKVUNVUMT-ZTFGCOKTSA-N 1 3 362.474 0.483 20 0 FCADHO COC(=O)C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OC(C)(C)C ZINC001220379397 1224850331 /nfs/dbraw/zinc/85/03/31/1224850331.db2.gz SFMDOFSEVIDOFD-OLZOCXBDSA-N 1 3 369.462 0.250 20 0 FCADHO COC(=O)C[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C(=O)OC(C)(C)C ZINC001220379397 1224850333 /nfs/dbraw/zinc/85/03/33/1224850333.db2.gz SFMDOFSEVIDOFD-OLZOCXBDSA-N 1 3 369.462 0.250 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387276 1224852197 /nfs/dbraw/zinc/85/21/97/1224852197.db2.gz FWPHOILKWQDEKH-KSZLIROESA-N 1 3 371.522 0.465 20 0 FCADHO C[C@@H](C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)N1CCCC1 ZINC001273448829 1204848367 /nfs/dbraw/zinc/84/83/67/1204848367.db2.gz CMLITPATLGSQCR-DOTOQJQBSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H](C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)N1CCCC1 ZINC001273448830 1204848396 /nfs/dbraw/zinc/84/83/96/1204848396.db2.gz CMLITPATLGSQCR-NVXWUHKLSA-N 1 3 362.518 0.872 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009654 1204897090 /nfs/dbraw/zinc/89/70/90/1204897090.db2.gz RCZCYEXFGVQWNS-BPQIPLTHSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087009654 1204897092 /nfs/dbraw/zinc/89/70/92/1204897092.db2.gz RCZCYEXFGVQWNS-BPQIPLTHSA-N 1 3 371.489 0.190 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087059371 1204942645 /nfs/dbraw/zinc/94/26/45/1204942645.db2.gz BIXCYFDKZWPRSW-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059710 1204943889 /nfs/dbraw/zinc/94/38/89/1204943889.db2.gz RNMYTEJWDMVMNZ-OIISXLGYSA-N 1 3 364.494 0.108 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(OC)no1 ZINC001087100994 1204997447 /nfs/dbraw/zinc/99/74/47/1204997447.db2.gz OISFTCSIHHBLLO-SQWLQELKSA-N 1 3 366.462 0.588 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(OC)no1 ZINC001087100994 1204997463 /nfs/dbraw/zinc/99/74/63/1204997463.db2.gz OISFTCSIHHBLLO-SQWLQELKSA-N 1 3 366.462 0.588 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676433 1205336381 /nfs/dbraw/zinc/33/63/81/1205336381.db2.gz YBZBIKBYYOJVQZ-KZNAEPCWSA-N 1 3 364.534 0.881 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676433 1205336386 /nfs/dbraw/zinc/33/63/86/1205336386.db2.gz YBZBIKBYYOJVQZ-KZNAEPCWSA-N 1 3 364.534 0.881 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](Oc3ccccc3)C[NH2+]2)CCNC1 ZINC001220521505 1224904612 /nfs/dbraw/zinc/90/46/12/1224904612.db2.gz HMUPSNROVQKCGX-YOEHRIQHSA-N 1 3 359.426 0.723 20 0 FCADHO CC(C)N1CC[C@H](N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133435 1206032868 /nfs/dbraw/zinc/03/28/68/1206032868.db2.gz FJQGKJAPBGUFLQ-ZACQAIPSSA-N 1 3 362.518 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CNCc1nncn1C ZINC001093857216 1206146203 /nfs/dbraw/zinc/14/62/03/1206146203.db2.gz VVFGTMAQWCAERM-HZPDHXFCSA-N 1 3 360.506 0.875 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1C ZINC001094165579 1206197893 /nfs/dbraw/zinc/19/78/93/1206197893.db2.gz RNSNNWDDUCEABS-BZUAXINKSA-N 1 3 362.522 0.903 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1C ZINC001094165579 1206197894 /nfs/dbraw/zinc/19/78/94/1206197894.db2.gz RNSNNWDDUCEABS-BZUAXINKSA-N 1 3 362.522 0.903 20 0 FCADHO CN(C(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577904 1206240441 /nfs/dbraw/zinc/24/04/41/1206240441.db2.gz OWPDUUVGUWCWQB-WRWLIDTKSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577904 1206240443 /nfs/dbraw/zinc/24/04/43/1206240443.db2.gz OWPDUUVGUWCWQB-WRWLIDTKSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182661582 1206442049 /nfs/dbraw/zinc/44/20/49/1206442049.db2.gz OLCQFMKWKRDFQS-NUJGCVRESA-N 1 3 366.506 0.012 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000774814397 1206474746 /nfs/dbraw/zinc/47/47/46/1206474746.db2.gz HYHIZDLKTQUZNO-HOTGVXAUSA-N 1 3 366.506 0.347 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001188673220 1207474727 /nfs/dbraw/zinc/47/47/27/1207474727.db2.gz FUQZOJOWEQRKEO-GVDBMIGSSA-N 1 3 362.518 0.920 20 0 FCADHO CCOC(=O)C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cccc(O)c1 ZINC001220667934 1225001564 /nfs/dbraw/zinc/00/15/64/1225001564.db2.gz HLKWGLGOZCTYAI-SIXWZSSISA-N 1 3 361.442 0.702 20 0 FCADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194961749 1207984442 /nfs/dbraw/zinc/98/44/42/1207984442.db2.gz QGTRBGIQZADWRR-RTBURBONSA-N 1 3 363.502 0.992 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197320095 1208153203 /nfs/dbraw/zinc/15/32/03/1208153203.db2.gz VNXQVYQOBLEVAJ-CGTJXYLNSA-N 1 3 369.506 0.075 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCCc2ccccc2)C[C@H]1O ZINC001197826396 1208201915 /nfs/dbraw/zinc/20/19/15/1208201915.db2.gz VFTFLASSZZDYJX-RTBURBONSA-N 1 3 363.502 0.749 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661101 1208280322 /nfs/dbraw/zinc/28/03/22/1208280322.db2.gz AFVNMKKCXOPKKH-BHIYHBOVSA-N 1 3 361.486 0.959 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661101 1208280326 /nfs/dbraw/zinc/28/03/26/1208280326.db2.gz AFVNMKKCXOPKKH-BHIYHBOVSA-N 1 3 361.486 0.959 20 0 FCADHO CN1CCN(c2ccncc2C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)CC1 ZINC001199361059 1208343363 /nfs/dbraw/zinc/34/33/63/1208343363.db2.gz PTEXNGMLZJYOOB-LBPRGKRZSA-N 1 3 372.498 0.680 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273790108 1208374183 /nfs/dbraw/zinc/37/41/83/1208374183.db2.gz XCPVJIKFJSEIMQ-INIZCTEOSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001691701369 1208418212 /nfs/dbraw/zinc/41/82/12/1208418212.db2.gz PKESHLBOQBPANW-KSZLIROESA-N 1 3 363.506 0.559 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001488982387 1208599598 /nfs/dbraw/zinc/59/95/98/1208599598.db2.gz UBFDUALTSSMPQQ-HYVNUMGLSA-N 1 3 351.495 0.681 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220799212 1225080381 /nfs/dbraw/zinc/08/03/81/1225080381.db2.gz QZDMGOFMERERCW-SJORKVTESA-N 1 3 366.510 0.342 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000851665772 1209508447 /nfs/dbraw/zinc/50/84/47/1209508447.db2.gz CWDUJNOPQJNAIF-QGZVFWFLSA-N 1 3 361.490 0.535 20 0 FCADHO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220921052 1225141168 /nfs/dbraw/zinc/14/11/68/1225141168.db2.gz XQZCWEPGKUMXNO-HZPDHXFCSA-N 1 3 357.458 0.287 20 0 FCADHO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220921052 1225141171 /nfs/dbraw/zinc/14/11/71/1225141171.db2.gz XQZCWEPGKUMXNO-HZPDHXFCSA-N 1 3 357.458 0.287 20 0 FCADHO O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220924597 1225143664 /nfs/dbraw/zinc/14/36/64/1225143664.db2.gz YNYSYELUAFBGSG-QGZVFWFLSA-N 1 3 374.460 0.603 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000861745477 1209878906 /nfs/dbraw/zinc/87/89/06/1209878906.db2.gz MKDOGDDMYTXPSG-DOTOQJQBSA-N 1 3 362.474 0.199 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000861771024 1209881374 /nfs/dbraw/zinc/88/13/74/1209881374.db2.gz SNICMKLAXOVBBU-AWEZNQCLSA-N 1 3 362.474 0.065 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000868302340 1210050688 /nfs/dbraw/zinc/05/06/88/1210050688.db2.gz HRSQTJSKEMLOJE-GASCZTMLSA-N 1 3 359.474 0.621 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)cn1 ZINC000873101144 1210233447 /nfs/dbraw/zinc/23/34/47/1210233447.db2.gz AFHZOIFJANPLSK-MRXNPFEDSA-N 1 3 370.457 0.214 20 0 FCADHO O=C(NCc1ccc(OCC2CCOCC2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001221078502 1225211982 /nfs/dbraw/zinc/21/19/82/1225211982.db2.gz IHZIXPPCSCNYQK-GOSISDBHSA-N 1 3 359.470 0.917 20 0 FCADHO COc1cccc(C2([NH3+])CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2)c1 ZINC001221092189 1225218866 /nfs/dbraw/zinc/21/88/66/1225218866.db2.gz SBCJUIQQAYJHSF-OAHLLOKOSA-N 1 3 363.462 0.247 20 0 FCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332198 1210662360 /nfs/dbraw/zinc/66/23/60/1210662360.db2.gz PPPXUNYPICOUKK-ROUUACIJSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332199 1210662780 /nfs/dbraw/zinc/66/27/80/1210662780.db2.gz PPPXUNYPICOUKK-ZWKOTPCHSA-N 1 3 366.506 0.792 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883659087 1210682005 /nfs/dbraw/zinc/68/20/05/1210682005.db2.gz WQCSFNRBIINTPB-UHFFFAOYSA-N 1 3 366.506 0.300 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CCNCCC23CCC3)CCN1c1cc[nH+]cc1 ZINC000883660509 1210682382 /nfs/dbraw/zinc/68/23/82/1210682382.db2.gz MGJMABRFEODJBZ-MRXNPFEDSA-N 1 3 371.485 0.863 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234211 1210724713 /nfs/dbraw/zinc/72/47/13/1210724713.db2.gz MAERPXISGAEBMS-INIZCTEOSA-N 1 3 360.506 0.247 20 0 FCADHO C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000884340522 1210731184 /nfs/dbraw/zinc/73/11/84/1210731184.db2.gz KIBZVOKCUFLCHZ-HNNXBMFYSA-N 1 3 358.446 0.812 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884509321 1210741395 /nfs/dbraw/zinc/74/13/95/1210741395.db2.gz CNVQNURGKAXWCC-RHSMWYFYSA-N 1 3 359.474 0.673 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884577433 1210755527 /nfs/dbraw/zinc/75/55/27/1210755527.db2.gz FFQQPFFSGGHYMY-JKSUJKDBSA-N 1 3 366.506 0.252 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631627 1210767958 /nfs/dbraw/zinc/76/79/58/1210767958.db2.gz QOIZAUDDAOCCEP-QZTJIDSGSA-N 1 3 356.470 0.418 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631627 1210767963 /nfs/dbraw/zinc/76/79/63/1210767963.db2.gz QOIZAUDDAOCCEP-QZTJIDSGSA-N 1 3 356.470 0.418 20 0 FCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000884646792 1210772479 /nfs/dbraw/zinc/77/24/79/1210772479.db2.gz GOZRXEMQEATJMB-WMLDXEAASA-N 1 3 374.485 0.208 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670430 1210775457 /nfs/dbraw/zinc/77/54/57/1210775457.db2.gz ZPIOWPOJADEKDH-OKZBNKHCSA-N 1 3 356.470 0.560 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670430 1210775462 /nfs/dbraw/zinc/77/54/62/1210775462.db2.gz ZPIOWPOJADEKDH-OKZBNKHCSA-N 1 3 356.470 0.560 20 0 FCADHO O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221151540 1225240879 /nfs/dbraw/zinc/24/08/79/1225240879.db2.gz IDRKGLXRDJEMKC-HNNXBMFYSA-N 1 3 357.458 0.414 20 0 FCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000884787207 1210795598 /nfs/dbraw/zinc/79/55/98/1210795598.db2.gz KLMXMPHNGWJIFW-CVEARBPZSA-N 1 3 366.506 0.250 20 0 FCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000884787208 1210796340 /nfs/dbraw/zinc/79/63/40/1210796340.db2.gz KLMXMPHNGWJIFW-HOTGVXAUSA-N 1 3 366.506 0.250 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968816 1210805747 /nfs/dbraw/zinc/80/57/47/1210805747.db2.gz VODRBBPBOQECAE-JKSUJKDBSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000885141609 1210812067 /nfs/dbraw/zinc/81/20/67/1210812067.db2.gz OQMNCRBLUXVAPX-INIZCTEOSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000889805653 1210954718 /nfs/dbraw/zinc/95/47/18/1210954718.db2.gz QVYVZHLHXOMPLF-CRAIPNDOSA-N 1 3 373.501 0.976 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000889805653 1210954722 /nfs/dbraw/zinc/95/47/22/1210954722.db2.gz QVYVZHLHXOMPLF-CRAIPNDOSA-N 1 3 373.501 0.976 20 0 FCADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715977 1210985127 /nfs/dbraw/zinc/98/51/27/1210985127.db2.gz CZILEPQPWFCJMH-OAHLLOKOSA-N 1 3 361.490 0.682 20 0 FCADHO O=C1C[C@@]2(CN1CCN1CCOCC1)CCCCN2CC1CC[NH2+]CC1 ZINC001275738092 1211279298 /nfs/dbraw/zinc/27/92/98/1211279298.db2.gz UOLRNLIZVOVQPQ-HXUWFJFHSA-N 1 3 364.534 0.775 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245892 1225280211 /nfs/dbraw/zinc/28/02/11/1225280211.db2.gz HINMSNUDKDGRFV-HNAYVOBHSA-N 1 3 374.489 0.352 20 0 FCADHO CN1CCC[C@@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303210 /nfs/dbraw/zinc/30/32/10/1211303210.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 1 3 361.490 0.528 20 0 FCADHO CN1CCC[C@@H](C[N@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303213 /nfs/dbraw/zinc/30/32/13/1211303213.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 1 3 361.490 0.528 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303215 /nfs/dbraw/zinc/30/32/15/1211303215.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 1 3 361.490 0.528 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303217 /nfs/dbraw/zinc/30/32/17/1211303217.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 1 3 361.490 0.528 20 0 FCADHO COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001275877954 1211304067 /nfs/dbraw/zinc/30/40/67/1211304067.db2.gz IKCHZMOVZPIKTH-VQHPVUNQSA-N 1 3 367.490 0.582 20 0 FCADHO COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275877954 1211304069 /nfs/dbraw/zinc/30/40/69/1211304069.db2.gz IKCHZMOVZPIKTH-VQHPVUNQSA-N 1 3 367.490 0.582 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371304406 1211335337 /nfs/dbraw/zinc/33/53/37/1211335337.db2.gz SZDGAGWQIYGIIH-SQNIBIBYSA-N 1 3 367.538 0.375 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)N(C)C ZINC001276049826 1211340502 /nfs/dbraw/zinc/34/05/02/1211340502.db2.gz SYNHNWSKFCBNAW-WRWLIDTKSA-N 1 3 364.534 0.974 20 0 FCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cc4c(cn3)OCCO4)C2)C1=O ZINC001276233237 1211385805 /nfs/dbraw/zinc/38/58/05/1211385805.db2.gz INFAWOYAMICYRB-LJQANCHMSA-N 1 3 360.458 0.839 20 0 FCADHO CC(C)[C@H](CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O)N1CCN(C)CC1 ZINC000924457088 1211470255 /nfs/dbraw/zinc/47/02/55/1211470255.db2.gz PIBISLPDWDWJGH-SJORKVTESA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926296464 1211527844 /nfs/dbraw/zinc/52/78/44/1211527844.db2.gz DZOBCQCHKKSVLE-SFHVURJKSA-N 1 3 360.502 0.817 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926301874 1211528474 /nfs/dbraw/zinc/52/84/74/1211528474.db2.gz ZXPPMKMPRQMMMQ-HNNXBMFYSA-N 1 3 364.465 0.913 20 0 FCADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC[NH3+] ZINC001221344900 1225301560 /nfs/dbraw/zinc/30/15/60/1225301560.db2.gz HLHWBMQUMKBQRU-MRXNPFEDSA-N 1 3 359.474 0.788 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cn2cccn2)CC1 ZINC001110956371 1211614829 /nfs/dbraw/zinc/61/48/29/1211614829.db2.gz FXVAPLWYBLQJCP-TWMKSMIVSA-N 1 3 361.490 0.307 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221398307 1225306048 /nfs/dbraw/zinc/30/60/48/1225306048.db2.gz XCRKBBGRCQALPY-BZSNNMDCSA-N 1 3 356.470 0.560 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935365660 1211876748 /nfs/dbraw/zinc/87/67/48/1211876748.db2.gz KBTIIRJHLLPJGO-ULQDDVLXSA-N 1 3 368.522 0.325 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935365660 1211876751 /nfs/dbraw/zinc/87/67/51/1211876751.db2.gz KBTIIRJHLLPJGO-ULQDDVLXSA-N 1 3 368.522 0.325 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000949943677 1212490178 /nfs/dbraw/zinc/49/01/78/1212490178.db2.gz PHHUUNCJLMPRLA-HYVNUMGLSA-N 1 3 362.518 0.776 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001007849407 1212591587 /nfs/dbraw/zinc/59/15/87/1212591587.db2.gz WTUADYMFPCXVCA-DOXZYTNZSA-N 1 3 359.474 0.791 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001007849407 1212591593 /nfs/dbraw/zinc/59/15/93/1212591593.db2.gz WTUADYMFPCXVCA-DOXZYTNZSA-N 1 3 359.474 0.791 20 0 FCADHO CC(C)[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824108 1225416900 /nfs/dbraw/zinc/41/69/00/1225416900.db2.gz LQRGBHFUVVUJJY-QUCCMNQESA-N 1 3 366.550 0.708 20 0 FCADHO CC(C)[C@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824108 1225416906 /nfs/dbraw/zinc/41/69/06/1225416906.db2.gz LQRGBHFUVVUJJY-QUCCMNQESA-N 1 3 366.550 0.708 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@@H+]1C ZINC000953178577 1213001943 /nfs/dbraw/zinc/00/19/43/1213001943.db2.gz SEGCUDPJJFUUPZ-IDHHARJASA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@H+]1C ZINC000953178577 1213001948 /nfs/dbraw/zinc/00/19/48/1213001948.db2.gz SEGCUDPJJFUUPZ-IDHHARJASA-N 1 3 359.474 0.743 20 0 FCADHO CCOC(=O)[C@@H]1CN(CCN(C)C)C(=O)C12CC[NH+](CCCOC)CC2 ZINC001276316812 1213403156 /nfs/dbraw/zinc/40/31/56/1213403156.db2.gz ZZYSYHOFGNKMOH-INIZCTEOSA-N 1 3 369.506 0.688 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CN(C)C4CCC4)C3)C2)CC[N@@H+]1C ZINC001019121800 1214199279 /nfs/dbraw/zinc/19/92/79/1214199279.db2.gz KNFHGLUOBYWHGN-NVXWUHKLSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CN(C)C4CCC4)C3)C2)CC[N@H+]1C ZINC001019121800 1214199284 /nfs/dbraw/zinc/19/92/84/1214199284.db2.gz KNFHGLUOBYWHGN-NVXWUHKLSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccn(C)c(=O)c3)CC2)CC[N@@H+]1C ZINC001000700723 1216108205 /nfs/dbraw/zinc/10/82/05/1216108205.db2.gz VEUBWGCNKBSLBM-CRAIPNDOSA-N 1 3 358.486 0.974 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccn(C)c(=O)c3)CC2)CC[N@H+]1C ZINC001000700723 1216108209 /nfs/dbraw/zinc/10/82/09/1216108209.db2.gz VEUBWGCNKBSLBM-CRAIPNDOSA-N 1 3 358.486 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1C ZINC001057746192 1216536776 /nfs/dbraw/zinc/53/67/76/1216536776.db2.gz OPVWTBPZNMSWIA-BBWFWOEESA-N 1 3 370.538 0.240 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1C ZINC001057746192 1216536783 /nfs/dbraw/zinc/53/67/83/1216536783.db2.gz OPVWTBPZNMSWIA-BBWFWOEESA-N 1 3 370.538 0.240 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCN2CCNC2=O)CC[N@@H+]1C ZINC001049485076 1218462809 /nfs/dbraw/zinc/46/28/09/1218462809.db2.gz KUHMTSBFWOSAEP-QBPKDAKJSA-N 1 3 363.506 0.417 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCN2CCNC2=O)CC[N@H+]1C ZINC001049485076 1218462817 /nfs/dbraw/zinc/46/28/17/1218462817.db2.gz KUHMTSBFWOSAEP-QBPKDAKJSA-N 1 3 363.506 0.417 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCc3ncnn32)CC1 ZINC001097779548 1218844973 /nfs/dbraw/zinc/84/49/73/1218844973.db2.gz QPGUYGDXJANVKR-TWMKSMIVSA-N 1 3 358.490 0.829 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226942269 1225858526 /nfs/dbraw/zinc/85/85/26/1225858526.db2.gz VBMQCKKGWMSPNF-NUJGCVRESA-N 1 3 370.538 0.742 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001226942086 1225858762 /nfs/dbraw/zinc/85/87/62/1225858762.db2.gz OPRDNNHKQSCAMB-NUJGCVRESA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@@H]3C2)CC[N@@H+]1C ZINC001055347818 1219031403 /nfs/dbraw/zinc/03/14/03/1219031403.db2.gz FBAUHNLRLSWWMC-XWTMOSNGSA-N 1 3 364.534 0.975 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@@H]3C2)CC[N@H+]1C ZINC001055347818 1219031409 /nfs/dbraw/zinc/03/14/09/1219031409.db2.gz FBAUHNLRLSWWMC-XWTMOSNGSA-N 1 3 364.534 0.975 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC001055358742 1219033789 /nfs/dbraw/zinc/03/37/89/1219033789.db2.gz HPLNDFMYPHPOLT-XWTMOSNGSA-N 1 3 364.534 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)CC[N@H+]1C ZINC001055358742 1219033793 /nfs/dbraw/zinc/03/37/93/1219033793.db2.gz HPLNDFMYPHPOLT-XWTMOSNGSA-N 1 3 364.534 0.974 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804049245 1219102627 /nfs/dbraw/zinc/10/26/27/1219102627.db2.gz CAQCTDQGYQBSKY-SJORKVTESA-N 1 3 366.506 0.156 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804058336 1219113704 /nfs/dbraw/zinc/11/37/04/1219113704.db2.gz ZVLLLJZMCCYPEQ-IKGGRYGDSA-N 1 3 366.506 0.347 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804058336 1219113707 /nfs/dbraw/zinc/11/37/07/1219113707.db2.gz ZVLLLJZMCCYPEQ-IKGGRYGDSA-N 1 3 366.506 0.347 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000804060991 1219114388 /nfs/dbraw/zinc/11/43/88/1219114388.db2.gz QWDYKISQIJEUOX-IXDOHACOSA-N 1 3 364.490 0.053 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000804062209 1219117777 /nfs/dbraw/zinc/11/77/77/1219117777.db2.gz DDXHBZTUVKRVLO-IAGOWNOFSA-N 1 3 368.522 0.591 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804061171 1219118127 /nfs/dbraw/zinc/11/81/27/1219118127.db2.gz RURNQRWAGRSWHE-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070132761 1219207343 /nfs/dbraw/zinc/20/73/43/1219207343.db2.gz RHUSFRYUSISLNB-OAGGEKHMSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070132761 1219207349 /nfs/dbraw/zinc/20/73/49/1219207349.db2.gz RHUSFRYUSISLNB-OAGGEKHMSA-N 1 3 368.522 0.448 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209263 1219294789 /nfs/dbraw/zinc/29/47/89/1219294789.db2.gz VJEGEHPTCVXYFE-OAGGEKHMSA-N 1 3 362.478 0.140 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515685 1219448818 /nfs/dbraw/zinc/44/88/18/1219448818.db2.gz QAHSGOBMHULZOO-BGBZDWQGSA-N 1 3 359.474 0.187 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670185 1219517316 /nfs/dbraw/zinc/51/73/16/1219517316.db2.gz CCIQYJHIVDSRQX-XPSUUDRWSA-N 1 3 359.474 0.187 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001070705238 1219534183 /nfs/dbraw/zinc/53/41/83/1219534183.db2.gz KJWCPSXYXMHRNX-BRWVUGGUSA-N 1 3 363.506 0.417 20 0 FCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719320 1219541732 /nfs/dbraw/zinc/54/17/32/1219541732.db2.gz ZKUXISFJFMYVJX-USXIJHARSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719320 1219541734 /nfs/dbraw/zinc/54/17/34/1219541734.db2.gz ZKUXISFJFMYVJX-USXIJHARSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cccnc1 ZINC001070719127 1219541838 /nfs/dbraw/zinc/54/18/38/1219541838.db2.gz TXLUBBJEWJOSJA-RCCFBDPRSA-N 1 3 368.485 0.851 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cccnc1 ZINC001070719127 1219541843 /nfs/dbraw/zinc/54/18/43/1219541843.db2.gz TXLUBBJEWJOSJA-RCCFBDPRSA-N 1 3 368.485 0.851 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cnccn1 ZINC001228255161 1225905076 /nfs/dbraw/zinc/90/50/76/1225905076.db2.gz RFACDXUNCIFZMY-HUUCEWRRSA-N 1 3 362.478 0.774 20 0 FCADHO CC[C@@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074646790 1219709325 /nfs/dbraw/zinc/70/93/25/1219709325.db2.gz CWDZMVYTROEWNR-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H](C(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074646790 1219709327 /nfs/dbraw/zinc/70/93/27/1219709327.db2.gz CWDZMVYTROEWNR-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCn2cncn2)C3)CC[N@@H+]1C ZINC001098996439 1219883462 /nfs/dbraw/zinc/88/34/62/1219883462.db2.gz HSEGOAVOMFWLAZ-DWRORGKVSA-N 1 3 360.506 0.979 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCn2cncn2)C3)CC[N@H+]1C ZINC001098996439 1219883466 /nfs/dbraw/zinc/88/34/66/1219883466.db2.gz HSEGOAVOMFWLAZ-DWRORGKVSA-N 1 3 360.506 0.979 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001099446631 1219999345 /nfs/dbraw/zinc/99/93/45/1219999345.db2.gz RBXLIRYZINPPAQ-IEZWGBDMSA-N 1 3 360.506 0.874 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099525874 1220023695 /nfs/dbraw/zinc/02/36/95/1220023695.db2.gz DGRHRLSYDBYAGY-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099525874 1220023700 /nfs/dbraw/zinc/02/37/00/1220023700.db2.gz DGRHRLSYDBYAGY-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4cncc4c3)C[C@]2(C)C1 ZINC001101291437 1220272563 /nfs/dbraw/zinc/27/25/63/1220272563.db2.gz KNRJXQNNZXGGGB-BEFAXECRSA-N 1 3 355.442 0.864 20 0 FCADHO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4cncc4c3)C[C@]2(C)C1 ZINC001101291437 1220272567 /nfs/dbraw/zinc/27/25/67/1220272567.db2.gz KNRJXQNNZXGGGB-BEFAXECRSA-N 1 3 355.442 0.864 20 0 FCADHO CC[N@H+](C)[C@H](C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428553 1220338414 /nfs/dbraw/zinc/33/84/14/1220338414.db2.gz GKRLVWRXRWMOMP-KPFFTGBYSA-N 1 3 358.486 0.945 20 0 FCADHO CC[N@@H+](C)[C@H](C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428553 1220338420 /nfs/dbraw/zinc/33/84/20/1220338420.db2.gz GKRLVWRXRWMOMP-KPFFTGBYSA-N 1 3 358.486 0.945 20 0 FCADHO C[C@@]12CN(CCNC(=O)C3CC3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001101431391 1220341045 /nfs/dbraw/zinc/34/10/45/1220341045.db2.gz MNPUTNJZXKIQIX-APWZRJJASA-N 1 3 360.502 0.389 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975842 1220449474 /nfs/dbraw/zinc/44/94/74/1220449474.db2.gz DDDHZPMPHQHUFQ-KBAYOESNSA-N 1 3 364.534 0.879 20 0 FCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044721 1220474752 /nfs/dbraw/zinc/47/47/52/1220474752.db2.gz BTXNMBKMVUBPTD-HUUCEWRRSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044721 1220474757 /nfs/dbraw/zinc/47/47/57/1220474757.db2.gz BTXNMBKMVUBPTD-HUUCEWRRSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044923 1220476177 /nfs/dbraw/zinc/47/61/77/1220476177.db2.gz KOTMCVJZKWMFPO-ZACQAIPSSA-N 1 3 363.506 0.412 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044923 1220476182 /nfs/dbraw/zinc/47/61/82/1220476182.db2.gz KOTMCVJZKWMFPO-ZACQAIPSSA-N 1 3 363.506 0.412 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108621 1220498861 /nfs/dbraw/zinc/49/88/61/1220498861.db2.gz UZHLATDOXMXVBA-BFYDXBDKSA-N 1 3 361.490 0.856 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102215786 1220557665 /nfs/dbraw/zinc/55/76/65/1220557665.db2.gz ZABBOQNCPOTJGU-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102215786 1220557672 /nfs/dbraw/zinc/55/76/72/1220557672.db2.gz ZABBOQNCPOTJGU-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001229239028 1225992364 /nfs/dbraw/zinc/99/23/64/1225992364.db2.gz UYCLWIVYEXOTLO-GVDBMIGSSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085314 1220831155 /nfs/dbraw/zinc/83/11/55/1220831155.db2.gz PRNPDSYGOTVPAB-HZSPNIEDSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085314 1220831157 /nfs/dbraw/zinc/83/11/57/1220831157.db2.gz PRNPDSYGOTVPAB-HZSPNIEDSA-N 1 3 367.494 0.128 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396783 1220877314 /nfs/dbraw/zinc/87/73/14/1220877314.db2.gz JIANBMHVWFQGNK-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001103448252 1220884447 /nfs/dbraw/zinc/88/44/47/1220884447.db2.gz CSSUFHUWQJECRL-IXDOHACOSA-N 1 3 368.522 0.308 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103550197 1220899169 /nfs/dbraw/zinc/89/91/69/1220899169.db2.gz DHZKOFZTBZAXFH-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103550197 1220899171 /nfs/dbraw/zinc/89/91/71/1220899171.db2.gz DHZKOFZTBZAXFH-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612710 1220913616 /nfs/dbraw/zinc/91/36/16/1220913616.db2.gz QUDBLDOPJABJGN-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612710 1220913619 /nfs/dbraw/zinc/91/36/19/1220913619.db2.gz QUDBLDOPJABJGN-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643130 1220926565 /nfs/dbraw/zinc/92/65/65/1220926565.db2.gz FADHRRAXCIOYPP-IAGOWNOFSA-N 1 3 370.538 0.411 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103663519 1220933621 /nfs/dbraw/zinc/93/36/21/1220933621.db2.gz FYCLMDVWYNNZKD-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103663519 1220933622 /nfs/dbraw/zinc/93/36/22/1220933622.db2.gz FYCLMDVWYNNZKD-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665696 1220933905 /nfs/dbraw/zinc/93/39/05/1220933905.db2.gz QEOUTUCNYIWQCG-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665696 1220933909 /nfs/dbraw/zinc/93/39/09/1220933909.db2.gz QEOUTUCNYIWQCG-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CCNCc1cnnn1C ZINC001104202898 1221020822 /nfs/dbraw/zinc/02/08/22/1221020822.db2.gz VDXSZASBVVSTMA-QGPMSJSTSA-N 1 3 360.506 0.731 20 0 FCADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000782588193 1221173294 /nfs/dbraw/zinc/17/32/94/1221173294.db2.gz VVZJSSRNCCPBFW-DLBZAZTESA-N 1 3 374.485 0.709 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001112401425 1221252733 /nfs/dbraw/zinc/25/27/33/1221252733.db2.gz CTKKMOPKSSLCBF-LPHOPBHVSA-N 1 3 360.506 0.981 20 0 FCADHO O=C1N[C@H]2CCN(C/C=C\C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179338 1221304269 /nfs/dbraw/zinc/30/42/69/1221304269.db2.gz IMCFPHCXMLWFJP-SBWHVVLFSA-N 1 3 364.446 0.403 20 0 FCADHO O=C1N[C@H]2CCN(C/C=C\C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179338 1221304272 /nfs/dbraw/zinc/30/42/72/1221304272.db2.gz IMCFPHCXMLWFJP-SBWHVVLFSA-N 1 3 364.446 0.403 20 0 FCADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)cc(OC)c1OCC(N)=O ZINC001116116079 1221337004 /nfs/dbraw/zinc/33/70/04/1221337004.db2.gz XAYDOLGWDCMNSB-UHFFFAOYSA-N 1 3 367.446 0.114 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229807906 1226036274 /nfs/dbraw/zinc/03/62/74/1226036274.db2.gz IWWLRURXGVYDNL-HUUCEWRRSA-N 1 3 369.510 0.581 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229939997 1226041320 /nfs/dbraw/zinc/04/13/20/1226041320.db2.gz SGQGDOLPNXLRGF-ARFHVFGLSA-N 1 3 360.462 0.535 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC001118107676 1221711945 /nfs/dbraw/zinc/71/19/45/1221711945.db2.gz MOJNYMFSBIPZOS-DOTOQJQBSA-N 1 3 364.465 0.750 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118678521 1221818316 /nfs/dbraw/zinc/81/83/16/1221818316.db2.gz JLAGZENTELILEQ-KRWDZBQOSA-N 1 3 366.506 0.156 20 0 FCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001119296127 1221898117 /nfs/dbraw/zinc/89/81/17/1221898117.db2.gz MLVDNFOAQBVKBV-UYAOXDASSA-N 1 3 360.502 0.817 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000828284779 1222399661 /nfs/dbraw/zinc/39/96/61/1222399661.db2.gz RXJJPWCREDARNI-ZACQAIPSSA-N 1 3 366.506 0.345 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000841209591 1222813797 /nfs/dbraw/zinc/81/37/97/1222813797.db2.gz SDDBUDWSFGZAHN-UHFFFAOYSA-N 1 3 359.474 0.765 20 0 FCADHO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842164384 1222838855 /nfs/dbraw/zinc/83/88/55/1222838855.db2.gz JMFSSCCKOVRZPX-DLBZAZTESA-N 1 3 366.506 0.394 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C)([NH3+])C1 ZINC001157650875 1223079867 /nfs/dbraw/zinc/07/98/67/1223079867.db2.gz FXRZPMDVKFBXAD-HOTGVXAUSA-N 1 3 362.474 0.353 20 0 FCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001157720407 1223081298 /nfs/dbraw/zinc/08/12/98/1223081298.db2.gz IMXJXNVRXVDILZ-HOTGVXAUSA-N 1 3 363.458 0.648 20 0 FCADHO COC(=O)c1nc2cnccc2c(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158262812 1223092413 /nfs/dbraw/zinc/09/24/13/1223092413.db2.gz WDUNEWWWJJSNHY-LBPRGKRZSA-N 1 3 356.430 0.813 20 0 FCADHO COC(=O)c1nc2cnccc2c(N2CCC([N@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158262812 1223092415 /nfs/dbraw/zinc/09/24/15/1223092415.db2.gz WDUNEWWWJJSNHY-LBPRGKRZSA-N 1 3 356.430 0.813 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3C[C@@H]4CC[NH2+][C@@H]4C3)cc(=O)oc2c1 ZINC001158305146 1223094707 /nfs/dbraw/zinc/09/47/07/1223094707.db2.gz DMOSNPYALRJGQK-KNXALSJPSA-N 1 3 357.410 0.492 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H](N)c1ccc(OC)nc1 ZINC001158495949 1223100115 /nfs/dbraw/zinc/10/01/15/1223100115.db2.gz GVKGABBYMOPGIP-ZQDZILKHSA-N 1 3 362.430 0.232 20 0 FCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533440 1223101705 /nfs/dbraw/zinc/10/17/05/1223101705.db2.gz LRNCULDDIOVNLV-HLNWXESRSA-N 1 3 359.470 0.771 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158671187 1223105128 /nfs/dbraw/zinc/10/51/28/1223105128.db2.gz DUGGKROPMQBCEJ-XMTFNYHQSA-N 1 3 372.469 0.166 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734861 1223106295 /nfs/dbraw/zinc/10/62/95/1223106295.db2.gz GVVPXBUVNZOWII-QZWWFDLISA-N 1 3 358.442 0.028 20 0 FCADHO O=C(N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158735565 1223106924 /nfs/dbraw/zinc/10/69/24/1223106924.db2.gz VLFLPBFWGHZILF-SORZXXQLSA-N 1 3 372.469 0.418 20 0 FCADHO CC(C)N(C(=O)[C@@H](N)C1CCC(O)CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759639 1223107278 /nfs/dbraw/zinc/10/72/78/1223107278.db2.gz SKAZDZOQSQNSHS-KVULBXGLSA-N 1 3 361.490 0.785 20 0 FCADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158791536 1223109572 /nfs/dbraw/zinc/10/95/72/1223109572.db2.gz XBAUTDKPXRMFRV-KGLIPLIRSA-N 1 3 362.478 0.244 20 0 FCADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158791536 1223109574 /nfs/dbraw/zinc/10/95/74/1223109574.db2.gz XBAUTDKPXRMFRV-KGLIPLIRSA-N 1 3 362.478 0.244 20 0 FCADHO Cn1ncc2c1CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]2COc1cccnc1 ZINC001158842934 1223111081 /nfs/dbraw/zinc/11/10/81/1223111081.db2.gz PPXNMTOGWFGBND-YOEHRIQHSA-N 1 3 372.473 0.776 20 0 FCADHO CCOC[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)Cc2cnn(C)c21 ZINC001159393913 1223126049 /nfs/dbraw/zinc/12/60/49/1223126049.db2.gz IVSGYGUTSYLHAR-CVEARBPZSA-N 1 3 361.490 0.757 20 0 FCADHO CCOC[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)Cc2cnn(C)c21 ZINC001159393913 1223126052 /nfs/dbraw/zinc/12/60/52/1223126052.db2.gz IVSGYGUTSYLHAR-CVEARBPZSA-N 1 3 361.490 0.757 20 0 FCADHO O=C(C1CC2(C[NH2+]C2)C1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667767 1223132865 /nfs/dbraw/zinc/13/28/65/1223132865.db2.gz UXMGBROWSYVKOL-ROUUACIJSA-N 1 3 356.470 0.883 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819150 1223136970 /nfs/dbraw/zinc/13/69/70/1223136970.db2.gz UTHRVQCRNOUZNP-HOCLYGCPSA-N 1 3 366.506 0.509 20 0 FCADHO CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159844405 1223137572 /nfs/dbraw/zinc/13/75/72/1223137572.db2.gz GNZQJENPUKAYDN-HOTGVXAUSA-N 1 3 368.522 0.613 20 0 FCADHO [NH3+]CCNCC(=O)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001159888697 1223139160 /nfs/dbraw/zinc/13/91/60/1223139160.db2.gz VHFMOEAFGPXSCJ-QGZVFWFLSA-N 1 3 367.444 0.690 20 0 FCADHO O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159929717 1223140063 /nfs/dbraw/zinc/14/00/63/1223140063.db2.gz KHSFQAKQJLMVHV-UIPMGKATSA-N 1 3 358.442 0.086 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159994659 1223142558 /nfs/dbraw/zinc/14/25/58/1223142558.db2.gz SUIDBSGDHCVUGQ-QGZVFWFLSA-N 1 3 373.501 0.046 20 0 FCADHO N[C@H](C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C1CC[NH2+]CC1 ZINC001160086545 1223144461 /nfs/dbraw/zinc/14/44/61/1223144461.db2.gz UYLLLKYVZBKRFB-FUHIMQAGSA-N 1 3 371.485 0.263 20 0 FCADHO N[C@@H](C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110607 1223145849 /nfs/dbraw/zinc/14/58/49/1223145849.db2.gz NODCASASTRJHIX-IAGOWNOFSA-N 1 3 371.485 0.373 20 0 FCADHO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001160203512 1223149586 /nfs/dbraw/zinc/14/95/86/1223149586.db2.gz WPKZHEOAWNNAEQ-IRXDYDNUSA-N 1 3 374.529 0.731 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160230138 1223150896 /nfs/dbraw/zinc/15/08/96/1223150896.db2.gz IBDRXHGDXQMEPU-DLBZAZTESA-N 1 3 372.473 0.520 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160229838 1223150940 /nfs/dbraw/zinc/15/09/40/1223150940.db2.gz DEPKVUOSZRWESC-CJNGLKHVSA-N 1 3 368.432 0.607 20 0 FCADHO CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001160323185 1223155174 /nfs/dbraw/zinc/15/51/74/1223155174.db2.gz JFAOJTNVEZVDQZ-GJZGRUSLSA-N 1 3 374.489 0.032 20 0 FCADHO C[C@@]1(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)CC[NH2+]C1 ZINC001160408920 1223157902 /nfs/dbraw/zinc/15/79/02/1223157902.db2.gz WKPIKZZEMFAXGK-GOSISDBHSA-N 1 3 355.446 0.699 20 0 FCADHO N[C@@H](C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415367 1223158402 /nfs/dbraw/zinc/15/84/02/1223158402.db2.gz SGQRAVBHLMPBQB-VQIMIIECSA-N 1 3 372.473 0.149 20 0 FCADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160708589 1223169250 /nfs/dbraw/zinc/16/92/50/1223169250.db2.gz AAJGKIUGGBUFIR-IBGZPJMESA-N 1 3 370.497 0.366 20 0 FCADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160708589 1223169253 /nfs/dbraw/zinc/16/92/53/1223169253.db2.gz AAJGKIUGGBUFIR-IBGZPJMESA-N 1 3 370.497 0.366 20 0 FCADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160708591 1223169355 /nfs/dbraw/zinc/16/93/55/1223169355.db2.gz AAJGKIUGGBUFIR-LJQANCHMSA-N 1 3 370.497 0.366 20 0 FCADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160708591 1223169357 /nfs/dbraw/zinc/16/93/57/1223169357.db2.gz AAJGKIUGGBUFIR-LJQANCHMSA-N 1 3 370.497 0.366 20 0 FCADHO COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160909040 1223180293 /nfs/dbraw/zinc/18/02/93/1223180293.db2.gz JJICDOTVZWPQAN-ALILYOIUSA-N 1 3 366.506 0.602 20 0 FCADHO O=C([C@H]1CNC[C@@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196350 1223188687 /nfs/dbraw/zinc/18/86/87/1223188687.db2.gz DLJBKQKOLJZETI-MSOLQXFVSA-N 1 3 370.513 0.485 20 0 FCADHO COc1ccc(C(=O)N2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC2)cc1 ZINC001161303112 1223194998 /nfs/dbraw/zinc/19/49/98/1223194998.db2.gz AUTQTJASUKUJOX-QGZVFWFLSA-N 1 3 360.458 0.307 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412198 1223198621 /nfs/dbraw/zinc/19/86/21/1223198621.db2.gz HIPAAXSQRSSQGR-FPCVCCKLSA-N 1 3 359.474 0.505 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H](N)c1cccc(OC)c1)CC2 ZINC001161480226 1223200743 /nfs/dbraw/zinc/20/07/43/1223200743.db2.gz OGKBLUCQPHZDDQ-JTDSTZFVSA-N 1 3 361.442 0.839 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H](N)c1cccc(OC)c1)CC2 ZINC001161480228 1223200779 /nfs/dbraw/zinc/20/07/79/1223200779.db2.gz OGKBLUCQPHZDDQ-MDZRGWNJSA-N 1 3 361.442 0.839 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@](C)(N)Cc1ccc(F)cc1)CC2 ZINC001161479721 1223200831 /nfs/dbraw/zinc/20/08/31/1223200831.db2.gz LPQJRCLPFZLKGE-ZYSHUDEJSA-N 1 3 363.433 0.839 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1Cc3ccccc3C1)CC2 ZINC001161480844 1223200968 /nfs/dbraw/zinc/20/09/68/1223200968.db2.gz VMGBPUAVNAWATR-UWVAXJGDSA-N 1 3 357.454 0.482 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161481485 1223201313 /nfs/dbraw/zinc/20/13/13/1223201313.db2.gz XZWGOEMPMPVGHG-JCGVRSQUSA-N 1 3 369.462 0.060 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161481487 1223201596 /nfs/dbraw/zinc/20/15/96/1223201596.db2.gz XZWGOEMPMPVGHG-LXIYXOSZSA-N 1 3 369.462 0.060 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161596122 1223205528 /nfs/dbraw/zinc/20/55/28/1223205528.db2.gz ZZBKFMFKWYKPAF-YOEHRIQHSA-N 1 3 356.470 0.946 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1)C(N)=O ZINC001205307225 1223319671 /nfs/dbraw/zinc/31/96/71/1223319671.db2.gz WGZAWGJDJAREFJ-RRQGHBQHSA-N 1 3 364.465 0.925 20 0 FCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036484 1223507844 /nfs/dbraw/zinc/50/78/44/1223507844.db2.gz MKOQCOMXBXYBIK-LVPSCPSHSA-N 1 3 363.502 0.713 20 0 FCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036484 1223507848 /nfs/dbraw/zinc/50/78/48/1223507848.db2.gz MKOQCOMXBXYBIK-LVPSCPSHSA-N 1 3 363.502 0.713 20 0 FCADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036536 1223507989 /nfs/dbraw/zinc/50/79/89/1223507989.db2.gz ORXZBIBWJAMFHA-QUJXQBBWSA-N 1 3 365.518 0.959 20 0 FCADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036536 1223507993 /nfs/dbraw/zinc/50/79/93/1223507993.db2.gz ORXZBIBWJAMFHA-QUJXQBBWSA-N 1 3 365.518 0.959 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070591 1223513108 /nfs/dbraw/zinc/51/31/08/1223513108.db2.gz NOYNMIMTVATUHD-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070591 1223513112 /nfs/dbraw/zinc/51/31/12/1223513112.db2.gz NOYNMIMTVATUHD-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CC(=O)N1CC2(C1)CN(CC1(C[NH+](C)C)CCCC1)C[C@@H]2C(=O)N(C)C ZINC001208188891 1223521521 /nfs/dbraw/zinc/52/15/21/1223521521.db2.gz OXUAFBRKIAKFNH-QGZVFWFLSA-N 1 3 364.534 0.977 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497744 1223694914 /nfs/dbraw/zinc/69/49/14/1223694914.db2.gz INRSWXIQYHVULW-HUUCEWRRSA-N 1 3 367.494 0.097 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210497744 1223694918 /nfs/dbraw/zinc/69/49/18/1223694918.db2.gz INRSWXIQYHVULW-HUUCEWRRSA-N 1 3 367.494 0.097 20 0 FCADHO CO[C@@H]1CN(CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213860270 1223863021 /nfs/dbraw/zinc/86/30/21/1223863021.db2.gz YHKYRPQQHIAVHP-BRWVUGGUSA-N 1 3 364.494 0.216 20 0 FCADHO CO[C@@H]1CN(CCCCCn2cncn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213860270 1223863023 /nfs/dbraw/zinc/86/30/23/1223863023.db2.gz YHKYRPQQHIAVHP-BRWVUGGUSA-N 1 3 364.494 0.216 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214343727 1223902755 /nfs/dbraw/zinc/90/27/55/1223902755.db2.gz DUFMOWFLNQMHLI-OIISXLGYSA-N 1 3 359.474 0.229 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214856164 1223948461 /nfs/dbraw/zinc/94/84/61/1223948461.db2.gz XOWJFUCWNAJKJI-QBIMZIAESA-N 1 3 362.474 0.673 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001214905113 1223954223 /nfs/dbraw/zinc/95/42/23/1223954223.db2.gz YYFRZKHKLOBIAD-KYJSFNMBSA-N 1 3 368.522 0.304 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215224730 1223983671 /nfs/dbraw/zinc/98/36/71/1223983671.db2.gz XANQOZIJULRCLY-BJZITVGISA-N 1 3 362.518 0.918 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778311 1224017553 /nfs/dbraw/zinc/01/75/53/1224017553.db2.gz FYMDIGBGUAKMGJ-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215989728 1224028952 /nfs/dbraw/zinc/02/89/52/1224028952.db2.gz KIZMJZSOBMLMCZ-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216830089 1224076366 /nfs/dbraw/zinc/07/63/66/1224076366.db2.gz KITKWIWPMMMMQS-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986773249 1248994303 /nfs/dbraw/zinc/99/43/03/1248994303.db2.gz YFDKJZPUMUZODI-PNBKFKSVSA-N 1 3 359.474 0.599 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC[N@H+]1C ZINC000986773249 1248994316 /nfs/dbraw/zinc/99/43/16/1248994316.db2.gz YFDKJZPUMUZODI-PNBKFKSVSA-N 1 3 359.474 0.599 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000849056605 1245391086 /nfs/dbraw/zinc/39/10/86/1245391086.db2.gz ZRSBUUNEBXQGEX-AWEZNQCLSA-N 1 3 364.494 0.839 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517282 1245504419 /nfs/dbraw/zinc/50/44/19/1245504419.db2.gz RERFJPDKIGDZEA-BMGDILEWSA-N 1 3 358.486 0.918 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517282 1245504424 /nfs/dbraw/zinc/50/44/24/1245504424.db2.gz RERFJPDKIGDZEA-BMGDILEWSA-N 1 3 358.486 0.918 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@@H]21 ZINC000911517261 1245504803 /nfs/dbraw/zinc/50/48/03/1245504803.db2.gz QZIANCLOUSRWMT-NRSFXHEJSA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@@H]21 ZINC000911517261 1245504809 /nfs/dbraw/zinc/50/48/09/1245504809.db2.gz QZIANCLOUSRWMT-NRSFXHEJSA-N 1 3 356.470 0.670 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000911518278 1245506440 /nfs/dbraw/zinc/50/64/40/1245506440.db2.gz RRNNKBJRAUHWPE-CGTJXYLNSA-N 1 3 356.470 0.814 20 0 FCADHO COCC1(NCC2(C[NH2+]C3(COC)CCOCC3)COC2)CCOCC1 ZINC001328409762 1265541236 /nfs/dbraw/zinc/54/12/36/1265541236.db2.gz HGXUEKNMDONNCO-UHFFFAOYSA-N 1 3 372.506 0.573 20 0 FCADHO NC(=O)C[C@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@H](CC(N)=O)C3)c2)C1 ZINC001328481223 1265559560 /nfs/dbraw/zinc/55/95/60/1265559560.db2.gz BWKJFQGJXRLLFI-HUUCEWRRSA-N 1 3 359.474 0.476 20 0 FCADHO NC(=O)C[C@H]1CCN(Cc2cncc(C[N@H+]3CC[C@H](CC(N)=O)C3)c2)C1 ZINC001328481223 1265559565 /nfs/dbraw/zinc/55/95/65/1265559565.db2.gz BWKJFQGJXRLLFI-HUUCEWRRSA-N 1 3 359.474 0.476 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001328837815 1265622848 /nfs/dbraw/zinc/62/28/48/1265622848.db2.gz SHSJDCAPHXOSHT-BRWVUGGUSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001328837815 1265622852 /nfs/dbraw/zinc/62/28/52/1265622852.db2.gz SHSJDCAPHXOSHT-BRWVUGGUSA-N 1 3 364.490 0.099 20 0 FCADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CCC1 ZINC001004396390 1253313121 /nfs/dbraw/zinc/31/31/21/1253313121.db2.gz PPIZDACVXNKEHQ-ZACQAIPSSA-N 1 3 360.502 0.815 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001004816716 1253413111 /nfs/dbraw/zinc/41/31/11/1253413111.db2.gz JTSLNBTXTRBDSD-ABFRBSLYSA-N 1 3 359.474 0.851 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001004816716 1253413116 /nfs/dbraw/zinc/41/31/16/1253413116.db2.gz JTSLNBTXTRBDSD-ABFRBSLYSA-N 1 3 359.474 0.851 20 0 FCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)cc1 ZINC001077685185 1254877129 /nfs/dbraw/zinc/87/71/29/1254877129.db2.gz CNBOJKLSGRFKOE-QXAKKESOSA-N 1 3 361.486 0.602 20 0 FCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077838532 1255038330 /nfs/dbraw/zinc/03/83/30/1255038330.db2.gz AOEKSHRYTNDPLH-QXAKKESOSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001078227139 1255339695 /nfs/dbraw/zinc/33/96/95/1255339695.db2.gz KXSHQPNZTUVNPK-ATZDWAIDSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001078227139 1255339702 /nfs/dbraw/zinc/33/97/02/1255339702.db2.gz KXSHQPNZTUVNPK-ATZDWAIDSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001078228197 1255343158 /nfs/dbraw/zinc/34/31/58/1255343158.db2.gz HGWMTZMHSDTWQO-RTBURBONSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001078228197 1255343167 /nfs/dbraw/zinc/34/31/67/1255343167.db2.gz HGWMTZMHSDTWQO-RTBURBONSA-N 1 3 361.486 0.950 20 0 FCADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405592 1255408527 /nfs/dbraw/zinc/40/85/27/1255408527.db2.gz SFNVJDYMDKQODD-KBAYOESNSA-N 1 3 363.506 0.776 20 0 FCADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405592 1255408530 /nfs/dbraw/zinc/40/85/30/1255408530.db2.gz SFNVJDYMDKQODD-KBAYOESNSA-N 1 3 363.506 0.776 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079240763 1255484056 /nfs/dbraw/zinc/48/40/56/1255484056.db2.gz BRWDLKDLACCUIE-OKZBNKHCSA-N 1 3 365.518 0.791 20 0 FCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161208 1255765522 /nfs/dbraw/zinc/76/55/22/1255765522.db2.gz RFOWJGNULFTKPR-LDBBTLTOSA-N 1 3 359.474 0.183 20 0 FCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161208 1255765528 /nfs/dbraw/zinc/76/55/28/1255765528.db2.gz RFOWJGNULFTKPR-LDBBTLTOSA-N 1 3 359.474 0.183 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081189028 1256201757 /nfs/dbraw/zinc/20/17/57/1256201757.db2.gz LNDURCDHYQRUBH-ZWKOTPCHSA-N 1 3 365.441 0.828 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082448488 1256765622 /nfs/dbraw/zinc/76/56/22/1256765622.db2.gz SAYOYZRCTLQSTN-YUELXQCFSA-N 1 3 358.446 0.053 20 0 FCADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515662 1256800871 /nfs/dbraw/zinc/80/08/71/1256800871.db2.gz UJVASELUXSZAPD-XOKHGSTOSA-N 1 3 360.506 0.885 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082705540 1256996251 /nfs/dbraw/zinc/99/62/51/1256996251.db2.gz KEHVAAROZVQTNV-LTIDMASMSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082705540 1256996258 /nfs/dbraw/zinc/99/62/58/1256996258.db2.gz KEHVAAROZVQTNV-LTIDMASMSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1NCc1cnnn1C ZINC001082742769 1257024233 /nfs/dbraw/zinc/02/42/33/1257024233.db2.gz RAOYBIOHSDZNJU-SIIHOXLZSA-N 1 3 366.485 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1NCc1cnnn1C ZINC001082742769 1257024240 /nfs/dbraw/zinc/02/42/40/1257024240.db2.gz RAOYBIOHSDZNJU-SIIHOXLZSA-N 1 3 366.485 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082744247 1257025251 /nfs/dbraw/zinc/02/52/51/1257025251.db2.gz ZTGSJSXLFFMFQQ-OWCLPIDISA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082745875 1257027371 /nfs/dbraw/zinc/02/73/71/1257027371.db2.gz VQXCLCPFTQHZAQ-ZTFGCOKTSA-N 1 3 358.486 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082784384 1257048540 /nfs/dbraw/zinc/04/85/40/1257048540.db2.gz SYCHDKWTWSVRJO-NVXWUHKLSA-N 1 3 366.506 0.014 20 0 FCADHO CCn1nncc1CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082827999 1257086091 /nfs/dbraw/zinc/08/60/91/1257086091.db2.gz LMFGMDPJOFJLDU-RHSMWYFYSA-N 1 3 364.494 0.345 20 0 FCADHO CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@H]2C)n1 ZINC001082923593 1257148079 /nfs/dbraw/zinc/14/80/79/1257148079.db2.gz RJQTVECDYJNAKL-SOLBZPMBSA-N 1 3 363.506 0.808 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092720986 1258819064 /nfs/dbraw/zinc/81/90/64/1258819064.db2.gz BKBVAVNSAYCKMT-IAGOWNOFSA-N 1 3 362.518 0.779 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665094 1258936157 /nfs/dbraw/zinc/93/61/57/1258936157.db2.gz HSPCUXLGYMBGRU-SOLBZPMBSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)C1 ZINC001106666885 1258936731 /nfs/dbraw/zinc/93/67/31/1258936731.db2.gz YEIWEUPTZQKJKE-LZLYRXPVSA-N 1 3 364.534 0.929 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001107039484 1259022908 /nfs/dbraw/zinc/02/29/08/1259022908.db2.gz UHGLJANSXDAXSJ-HUUCEWRRSA-N 1 3 362.478 0.439 20 0 FCADHO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)no1 ZINC001107040824 1259024169 /nfs/dbraw/zinc/02/41/69/1259024169.db2.gz OUYMIPKKLWTFRW-UKRRQHHQSA-N 1 3 365.478 0.946 20 0 FCADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439041 1259088312 /nfs/dbraw/zinc/08/83/12/1259088312.db2.gz PAGKAMNSKRKPRJ-ZHALLVOQSA-N 1 3 360.506 0.979 20 0 FCADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439041 1259088318 /nfs/dbraw/zinc/08/83/18/1259088318.db2.gz PAGKAMNSKRKPRJ-ZHALLVOQSA-N 1 3 360.506 0.979 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(CCNC(=O)C2CC2)CC3)C1 ZINC001107632023 1259139494 /nfs/dbraw/zinc/13/94/94/1259139494.db2.gz MJFKROTZCXVCGR-SQGPQFPESA-N 1 3 362.518 0.825 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(CCNC(=O)C2CC2)CC3)C1 ZINC001107632023 1259139498 /nfs/dbraw/zinc/13/94/98/1259139498.db2.gz MJFKROTZCXVCGR-SQGPQFPESA-N 1 3 362.518 0.825 20 0 FCADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571200 1259181462 /nfs/dbraw/zinc/18/14/62/1259181462.db2.gz NHLDKKAMZLDUJP-AEFFLSMTSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644063 1259182460 /nfs/dbraw/zinc/18/24/60/1259182460.db2.gz STCXFYQUKLXMCR-SQWLQELKSA-N 1 3 364.465 0.876 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644063 1259182463 /nfs/dbraw/zinc/18/24/63/1259182463.db2.gz STCXFYQUKLXMCR-SQWLQELKSA-N 1 3 364.465 0.876 20 0 FCADHO COc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001127644259 1259183059 /nfs/dbraw/zinc/18/30/59/1259183059.db2.gz XCANKCPYVYQOHE-RHSMWYFYSA-N 1 3 362.474 0.357 20 0 FCADHO COc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001127644259 1259183066 /nfs/dbraw/zinc/18/30/66/1259183066.db2.gz XCANKCPYVYQOHE-RHSMWYFYSA-N 1 3 362.474 0.357 20 0 FCADHO Cc1nccn1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130249278 1259376075 /nfs/dbraw/zinc/37/60/75/1259376075.db2.gz VGCDIXVXVPIAPL-KBPBESRZSA-N 1 3 361.450 0.497 20 0 FCADHO Cc1nccn1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130249278 1259376080 /nfs/dbraw/zinc/37/60/80/1259376080.db2.gz VGCDIXVXVPIAPL-KBPBESRZSA-N 1 3 361.450 0.497 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001200536723 1259416662 /nfs/dbraw/zinc/41/66/62/1259416662.db2.gz GCBRJQIVZXJDMN-OWCLPIDISA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001200536723 1259416668 /nfs/dbraw/zinc/41/66/68/1259416668.db2.gz GCBRJQIVZXJDMN-OWCLPIDISA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001200554375 1259416735 /nfs/dbraw/zinc/41/67/35/1259416735.db2.gz JEGLGTWWJMEEOA-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001200554375 1259416739 /nfs/dbraw/zinc/41/67/39/1259416739.db2.gz JEGLGTWWJMEEOA-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674683 1259425897 /nfs/dbraw/zinc/42/58/97/1259425897.db2.gz GOHCAUJQNFFMPU-RYQLBKOJSA-N 1 3 358.486 0.658 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674683 1259425899 /nfs/dbraw/zinc/42/58/99/1259425899.db2.gz GOHCAUJQNFFMPU-RYQLBKOJSA-N 1 3 358.486 0.658 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)C(=O)N(C)C ZINC001211669146 1259425931 /nfs/dbraw/zinc/42/59/31/1259425931.db2.gz KUHMZWXCFWYMKC-BPQIPLTHSA-N 1 3 360.502 0.999 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673410 1259426109 /nfs/dbraw/zinc/42/61/09/1259426109.db2.gz ICRCMNBQFGBSQY-BPQIPLTHSA-N 1 3 358.486 0.801 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673410 1259426114 /nfs/dbraw/zinc/42/61/14/1259426114.db2.gz ICRCMNBQFGBSQY-BPQIPLTHSA-N 1 3 358.486 0.801 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673411 1259426650 /nfs/dbraw/zinc/42/66/50/1259426650.db2.gz ICRCMNBQFGBSQY-RYQLBKOJSA-N 1 3 358.486 0.801 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673411 1259426652 /nfs/dbraw/zinc/42/66/52/1259426652.db2.gz ICRCMNBQFGBSQY-RYQLBKOJSA-N 1 3 358.486 0.801 20 0 FCADHO Cc1nc(C)c(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)[nH]1 ZINC001234616528 1259563523 /nfs/dbraw/zinc/56/35/23/1259563523.db2.gz KUXBNCDJKIXQAX-UHFFFAOYSA-N 1 3 362.522 0.697 20 0 FCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)CC1 ZINC001235616649 1259580001 /nfs/dbraw/zinc/58/00/01/1259580001.db2.gz RKPVLHXRKDDJOI-SJORKVTESA-N 1 3 362.522 0.287 20 0 FCADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CN1 ZINC001246199914 1259650159 /nfs/dbraw/zinc/65/01/59/1259650159.db2.gz YXHBHEBSJCKIMH-MOPGFXCFSA-N 1 3 360.502 0.817 20 0 FCADHO CCC[C@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC ZINC001246512978 1259654460 /nfs/dbraw/zinc/65/44/60/1259654460.db2.gz IOVLKUZGZXXUMP-KKUMJFAQSA-N 1 3 370.542 0.673 20 0 FCADHO CCC[C@@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC ZINC001246512977 1259654722 /nfs/dbraw/zinc/65/47/22/1259654722.db2.gz IOVLKUZGZXXUMP-ILXRZTDVSA-N 1 3 370.542 0.673 20 0 FCADHO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709477 1259666656 /nfs/dbraw/zinc/66/66/56/1259666656.db2.gz OQJXROFBDHWOEU-SQGPQFPESA-N 1 3 371.485 0.595 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738828 1259676003 /nfs/dbraw/zinc/67/60/03/1259676003.db2.gz OPJDZGKJAZAOLN-WFXMFSGNSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@@H]3CC[C@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738828 1259676012 /nfs/dbraw/zinc/67/60/12/1259676012.db2.gz OPJDZGKJAZAOLN-WFXMFSGNSA-N 1 3 358.490 0.634 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745172 1259676794 /nfs/dbraw/zinc/67/67/94/1259676794.db2.gz MQYPUTBDAMGKGK-WOCWXWTJSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745172 1259676805 /nfs/dbraw/zinc/67/68/05/1259676805.db2.gz MQYPUTBDAMGKGK-WOCWXWTJSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744807 1259677427 /nfs/dbraw/zinc/67/74/27/1259677427.db2.gz LTVVCOONFRCBAF-AXVVYFOYSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744807 1259677436 /nfs/dbraw/zinc/67/74/36/1259677436.db2.gz LTVVCOONFRCBAF-AXVVYFOYSA-N 1 3 372.517 0.976 20 0 FCADHO O=C1N(Cc2cccnc2)CC[C@@]12CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752298 1259680180 /nfs/dbraw/zinc/68/01/80/1259680180.db2.gz ZCXZIUDIEKZDQS-AZUAARDMSA-N 1 3 369.513 0.990 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765217 1259684575 /nfs/dbraw/zinc/68/45/75/1259684575.db2.gz INISOKNCESDHCA-RIUYPTKQSA-N 1 3 359.474 0.684 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765217 1259684578 /nfs/dbraw/zinc/68/45/78/1259684578.db2.gz INISOKNCESDHCA-RIUYPTKQSA-N 1 3 359.474 0.684 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1=O ZINC001335498712 1259688524 /nfs/dbraw/zinc/68/85/24/1259688524.db2.gz QWPFASLNGDGYOU-SJORKVTESA-N 1 3 353.438 0.628 20 0 FCADHO c1cc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc(N2CCCC2)n1 ZINC001246865081 1259692221 /nfs/dbraw/zinc/69/22/21/1259692221.db2.gz VUKWXJBIJOVOMI-MRXNPFEDSA-N 1 3 357.506 0.293 20 0 FCADHO CN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251035862 1259734434 /nfs/dbraw/zinc/73/44/34/1259734434.db2.gz PXUANYLLEQNHKX-FQEVSTJZSA-N 1 3 362.518 0.217 20 0 FCADHO C[NH+]1CCN(c2cc(CNC(=O)CN3CCC(CO)CC3)ccn2)CC1 ZINC001335717117 1259802147 /nfs/dbraw/zinc/80/21/47/1259802147.db2.gz SEFDQCGZWVBXFT-UHFFFAOYSA-N 1 3 361.490 0.154 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181597 1259825078 /nfs/dbraw/zinc/82/50/78/1259825078.db2.gz FVHUUDBINHIKSU-ROUUACIJSA-N 1 3 365.518 0.816 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CCN([C@H]2CCOC2)CC1 ZINC001331891267 1266301729 /nfs/dbraw/zinc/30/17/29/1266301729.db2.gz YGNFILPYUALQKB-IRXDYDNUSA-N 1 3 366.506 0.698 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001261452279 1260141101 /nfs/dbraw/zinc/14/11/01/1260141101.db2.gz YVBGMVKJNTWJIW-KRWDZBQOSA-N 1 3 359.474 0.635 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500435 1260151760 /nfs/dbraw/zinc/15/17/60/1260151760.db2.gz RUBOIXGGBNIWGS-DNVCBOLYSA-N 1 3 368.522 0.578 20 0 FCADHO O=C(CCCCC(=O)N[C@@H]1C[NH+]2CCC1CC2)N[C@@H]1CN2CCC1CC2 ZINC001336614632 1260184627 /nfs/dbraw/zinc/18/46/27/1260184627.db2.gz IUIYJSWHKHTKSK-QZTJIDSGSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@@H]1Cn2nc(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)cc2CN1 ZINC001263098007 1260339623 /nfs/dbraw/zinc/33/96/23/1260339623.db2.gz PHBQICJFXQUWCL-CQSZACIVSA-N 1 3 360.506 0.663 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC001337337397 1260374133 /nfs/dbraw/zinc/37/41/33/1260374133.db2.gz ANXRDEBMIFAOEM-GOSISDBHSA-N 1 3 374.485 0.044 20 0 FCADHO COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(Cc3cc(C)nn3C)C[C@@H]12 ZINC001278272041 1260689182 /nfs/dbraw/zinc/68/91/82/1260689182.db2.gz DMHJMYFUUBKVIF-IRXDYDNUSA-N 1 3 361.490 0.387 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cc(C)nn3C)C[C@@H]12 ZINC001278272041 1260689186 /nfs/dbraw/zinc/68/91/86/1260689186.db2.gz DMHJMYFUUBKVIF-IRXDYDNUSA-N 1 3 361.490 0.387 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cc(C)nn3C)C[C@@H]12 ZINC001278272041 1260689192 /nfs/dbraw/zinc/68/91/92/1260689192.db2.gz DMHJMYFUUBKVIF-IRXDYDNUSA-N 1 3 361.490 0.387 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001278273525 1260689223 /nfs/dbraw/zinc/68/92/23/1260689223.db2.gz YSMZUXAZZCRRAS-HZPDHXFCSA-N 1 3 360.458 0.446 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001278273525 1260689229 /nfs/dbraw/zinc/68/92/29/1260689229.db2.gz YSMZUXAZZCRRAS-HZPDHXFCSA-N 1 3 360.458 0.446 20 0 FCADHO CN(C)C(=O)CN1CCCC2(CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001279307562 1260832942 /nfs/dbraw/zinc/83/29/42/1260832942.db2.gz AVGXJBRWFDZRJY-UHFFFAOYSA-N 1 3 363.462 0.654 20 0 FCADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(N3CCOCC3)nc1)C2 ZINC001279714613 1260919430 /nfs/dbraw/zinc/91/94/30/1260919430.db2.gz OAVZYIVWDDTEKS-MOPGFXCFSA-N 1 3 359.518 0.986 20 0 FCADHO CN1CCN(C(=O)CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)CC1 ZINC001280075280 1260992200 /nfs/dbraw/zinc/99/22/00/1260992200.db2.gz XYDANSINWYLDNM-UHFFFAOYSA-N 1 3 360.506 0.055 20 0 FCADHO CC(=O)N1CCC[C@H](CN2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280081401 1260994284 /nfs/dbraw/zinc/99/42/84/1260994284.db2.gz RCAWOKOVFISVPU-ABSDTBQOSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+]1CCC(C)(CN2CC[C@H]3C[C@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280211582 1261033652 /nfs/dbraw/zinc/03/36/52/1261033652.db2.gz XGNIWONHWJBUNX-HNAYVOBHSA-N 1 3 358.490 0.817 20 0 FCADHO Cn1ccnc1NC(=O)C1=NO[C@@H]2CN(CC3(C)CC[NH+](C)CC3)C[C@H]12 ZINC001280211522 1261033870 /nfs/dbraw/zinc/03/38/70/1261033870.db2.gz VWBHQNLRVSTZSD-UONOGXRCSA-N 1 3 360.462 0.777 20 0 FCADHO CN(C)CCN1Cc2ccnn2CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280219492 1261037950 /nfs/dbraw/zinc/03/79/50/1261037950.db2.gz TTXOQDHMWLLJRZ-GOSISDBHSA-N 1 3 362.522 0.572 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001281629990 1261128597 /nfs/dbraw/zinc/12/85/97/1261128597.db2.gz RQCLZTSZLQHXLM-BBWFWOEESA-N 1 3 364.534 0.974 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC001290540239 1262468193 /nfs/dbraw/zinc/46/81/93/1262468193.db2.gz SNUSEHYIGCEYAV-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC001290540239 1262468195 /nfs/dbraw/zinc/46/81/95/1262468195.db2.gz SNUSEHYIGCEYAV-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001580369315 1278178214 /nfs/dbraw/zinc/17/82/14/1278178214.db2.gz XHRWWAVWJZGGJZ-OALUTQOASA-N 1 3 354.454 0.834 20 0 FCADHO N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001580369315 1278178218 /nfs/dbraw/zinc/17/82/18/1278178218.db2.gz XHRWWAVWJZGGJZ-OALUTQOASA-N 1 3 354.454 0.834 20 0 FCADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@H]1CCCN(CCCO)C1 ZINC001312013344 1263271278 /nfs/dbraw/zinc/27/12/78/1263271278.db2.gz RCVRURQXNJWFBA-ZWKOTPCHSA-N 1 3 368.522 0.776 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(CN[C@@H]2CCC[C@@H]2C(=O)NC)COC1 ZINC001321806573 1264068664 /nfs/dbraw/zinc/06/86/64/1264068664.db2.gz QXYMGMPKWPSABA-SYMSYNOKSA-N 1 3 366.506 0.012 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)COC1 ZINC001321806573 1264068673 /nfs/dbraw/zinc/06/86/73/1264068673.db2.gz QXYMGMPKWPSABA-SYMSYNOKSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580402116 1278230821 /nfs/dbraw/zinc/23/08/21/1278230821.db2.gz GBSAOWDAZFYUJI-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580402116 1278230837 /nfs/dbraw/zinc/23/08/37/1278230837.db2.gz GBSAOWDAZFYUJI-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@H](C)[NH3+])c1 ZINC001333627388 1266656483 /nfs/dbraw/zinc/65/64/83/1266656483.db2.gz XRMTVCDALSOKDF-AWEZNQCLSA-N 1 3 350.463 0.439 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001512982331 1264793972 /nfs/dbraw/zinc/79/39/72/1264793972.db2.gz XAAJHWVHPUCTCD-BRWVUGGUSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001512982331 1264793975 /nfs/dbraw/zinc/79/39/75/1264793975.db2.gz XAAJHWVHPUCTCD-BRWVUGGUSA-N 1 3 366.506 0.031 20 0 FCADHO C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC001326185230 1265074537 /nfs/dbraw/zinc/07/45/37/1265074537.db2.gz AWKYQYIUBXZVDP-BJWYYQGGSA-N 1 3 370.538 0.648 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580408201 1278246606 /nfs/dbraw/zinc/24/66/06/1278246606.db2.gz FHJCQDBXUPIEDA-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580408201 1278246612 /nfs/dbraw/zinc/24/66/12/1278246612.db2.gz FHJCQDBXUPIEDA-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580408201 1278246621 /nfs/dbraw/zinc/24/66/21/1278246621.db2.gz FHJCQDBXUPIEDA-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580408201 1278246624 /nfs/dbraw/zinc/24/66/24/1278246624.db2.gz FHJCQDBXUPIEDA-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO NC1(CNC(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001333550024 1266628232 /nfs/dbraw/zinc/62/82/32/1266628232.db2.gz UQVIERPAQSUIHF-QZTJIDSGSA-N 1 3 370.497 0.965 20 0 FCADHO O=C(c1cccc2c1CNC2)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636431 1266660906 /nfs/dbraw/zinc/66/09/06/1266660906.db2.gz SFWSZDSAESRRLH-ZWKOTPCHSA-N 1 3 369.469 0.650 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC001549045834 1267794652 /nfs/dbraw/zinc/79/46/52/1267794652.db2.gz ALNHCDYADDEVBG-WMLDXEAASA-N 1 3 372.429 0.101 20 0 FCADHO Cn1cc([C@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@@H]2[NH3+])cn1 ZINC001549074332 1267799282 /nfs/dbraw/zinc/79/92/82/1267799282.db2.gz QTMYBDOWCQJVDP-SJORKVTESA-N 1 3 361.490 0.708 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC001549213614 1267858800 /nfs/dbraw/zinc/85/88/00/1267858800.db2.gz CXANXFFFWQIQHD-CABCVRRESA-N 1 3 356.430 0.586 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3C[NH2+]CC[C@H]3c3ccccc3)CCN2C1=O ZINC001549215377 1267859053 /nfs/dbraw/zinc/85/90/53/1267859053.db2.gz QTQIAFXXOVLZDZ-TWMKSMIVSA-N 1 3 357.458 0.086 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549348041 1267904031 /nfs/dbraw/zinc/90/40/31/1267904031.db2.gz HUUPNCQYUMZZCQ-ZACQAIPSSA-N 1 3 365.522 0.175 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549348041 1267904035 /nfs/dbraw/zinc/90/40/35/1267904035.db2.gz HUUPNCQYUMZZCQ-ZACQAIPSSA-N 1 3 365.522 0.175 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H]2Cc3ccccc3CN2)cnn1C ZINC001550114884 1268076753 /nfs/dbraw/zinc/07/67/53/1268076753.db2.gz BTORTELWRDMUKV-NZSAHSFTSA-N 1 3 353.470 0.862 20 0 FCADHO COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCc2cnn3c2CNCC3)cc1 ZINC001550283909 1268104335 /nfs/dbraw/zinc/10/43/35/1268104335.db2.gz JROWUAISRRFBNZ-QGZVFWFLSA-N 1 3 370.457 0.851 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1ccnn1CCN(C)C)C2 ZINC001550478240 1268124709 /nfs/dbraw/zinc/12/47/09/1268124709.db2.gz MIKBSILUEBSNEG-RUENVJTFSA-N 1 3 363.506 0.654 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)c1ccnn1CCN(C)C)C2 ZINC001550478240 1268124711 /nfs/dbraw/zinc/12/47/11/1268124711.db2.gz MIKBSILUEBSNEG-RUENVJTFSA-N 1 3 363.506 0.654 20 0 FCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)C[C@H]21 ZINC001550745787 1268160363 /nfs/dbraw/zinc/16/03/63/1268160363.db2.gz UKSMAAIMJOBTIL-ICBNADEASA-N 1 3 358.486 0.839 20 0 FCADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551159374 1268209917 /nfs/dbraw/zinc/20/99/17/1268209917.db2.gz PSPDVSRFFCMUNN-NKELODKYSA-N 1 3 353.507 0.983 20 0 FCADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551159374 1268209926 /nfs/dbraw/zinc/20/99/26/1268209926.db2.gz PSPDVSRFFCMUNN-NKELODKYSA-N 1 3 353.507 0.983 20 0 FCADHO C[N@@H+]1C[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229808 1268214913 /nfs/dbraw/zinc/21/49/13/1268214913.db2.gz RUTBSVIRKXDVAA-WJFTUGDTSA-N 1 3 358.486 0.792 20 0 FCADHO C[N@H+]1C[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229808 1268214921 /nfs/dbraw/zinc/21/49/21/1268214921.db2.gz RUTBSVIRKXDVAA-WJFTUGDTSA-N 1 3 358.486 0.792 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551547585 1268264912 /nfs/dbraw/zinc/26/49/12/1268264912.db2.gz DOXMQLIORWJUMS-BWRBCVJASA-N 1 3 363.506 0.594 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001552013508 1268352857 /nfs/dbraw/zinc/35/28/57/1268352857.db2.gz SYKMQEDIJRSBJB-BSDSXHPESA-N 1 3 366.506 0.744 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001552214956 1268412285 /nfs/dbraw/zinc/41/22/85/1268412285.db2.gz XIJAICLKNRELRX-ZIAGYGMSSA-N 1 3 364.450 0.036 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC2CCN([C@@H]3CCOC3)CC2)cnn1C ZINC001552215128 1268412592 /nfs/dbraw/zinc/41/25/92/1268412592.db2.gz CDHOJRXLAHGJHC-NJAFHUGGSA-N 1 3 361.490 0.401 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340111738 1268438782 /nfs/dbraw/zinc/43/87/82/1268438782.db2.gz HXVGLSUILHUETB-OAQYLSRUSA-N 1 3 374.529 0.945 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001552652796 1268509982 /nfs/dbraw/zinc/50/99/82/1268509982.db2.gz OOIFKABZYOFCFT-KGLIPLIRSA-N 1 3 361.454 0.055 20 0 FCADHO [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)nn1 ZINC001552701107 1268523616 /nfs/dbraw/zinc/52/36/16/1268523616.db2.gz NPXINLYZJYEUNE-BFYDXBDKSA-N 1 3 362.478 0.704 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552840020 1268558390 /nfs/dbraw/zinc/55/83/90/1268558390.db2.gz YQEQEFRGSOJDFI-QWRGUYRKSA-N 1 3 358.393 0.153 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552954960 1268569562 /nfs/dbraw/zinc/56/95/62/1268569562.db2.gz PHTHSZQPGMDJSC-OAHLLOKOSA-N 1 3 351.495 0.644 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]C[C@H]2F)CC1 ZINC001553546276 1268666979 /nfs/dbraw/zinc/66/69/79/1268666979.db2.gz GKJIUOAXJMXSOU-HUUCEWRRSA-N 1 3 369.485 0.592 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N2CCCC[C@H]3[C@@H]2[C@H]3[NH3+])CC1 ZINC001553555494 1268669653 /nfs/dbraw/zinc/66/96/53/1268669653.db2.gz IZNWZQSFYMGMTD-OWCLPIDISA-N 1 3 363.506 0.724 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001341500089 1269034971 /nfs/dbraw/zinc/03/49/71/1269034971.db2.gz IXHCAPBOFKMVKS-JFIYKMOQSA-N 1 3 368.522 0.137 20 0 FCADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341527245 1269056285 /nfs/dbraw/zinc/05/62/85/1269056285.db2.gz VHAHJIDYVALVSO-HXUWFJFHSA-N 1 3 371.485 0.584 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1=O ZINC001342082627 1269337646 /nfs/dbraw/zinc/33/76/46/1269337646.db2.gz XOBLVJXCWFPOSZ-QGZVFWFLSA-N 1 3 372.513 0.916 20 0 FCADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037538 1269405495 /nfs/dbraw/zinc/40/54/95/1269405495.db2.gz OIOBTCXPTJPQAC-IRXDYDNUSA-N 1 3 355.527 0.016 20 0 FCADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037538 1269405500 /nfs/dbraw/zinc/40/55/00/1269405500.db2.gz OIOBTCXPTJPQAC-IRXDYDNUSA-N 1 3 355.527 0.016 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001567035923 1269676037 /nfs/dbraw/zinc/67/60/37/1269676037.db2.gz LARIHNYVAUCBGV-WMZOPIPTSA-N 1 3 353.507 0.696 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](O)[C@@H](CO)C3)CC2)CC1 ZINC001570401649 1269876780 /nfs/dbraw/zinc/87/67/80/1269876780.db2.gz KNWVEBJHMIZXNH-SJLPKXTDSA-N 1 3 353.507 0.384 20 0 FCADHO O=C(NC[C@@]1(O)CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001580635364 1278596380 /nfs/dbraw/zinc/59/63/80/1278596380.db2.gz NLXGMUGCIDUZEG-NVXWUHKLSA-N 1 3 353.413 0.984 20 0 FCADHO O=C(NC[C@H]1CCCN1CCCO)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001580654891 1278637194 /nfs/dbraw/zinc/63/71/94/1278637194.db2.gz PUDHYEAJLYIDRK-LSDHHAIUSA-N 1 3 350.467 0.169 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874826 1271629146 /nfs/dbraw/zinc/62/91/46/1271629146.db2.gz DVHZWCKLRIWVCF-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874826 1271629148 /nfs/dbraw/zinc/62/91/48/1271629148.db2.gz DVHZWCKLRIWVCF-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO CC(C)[C@@H]1[NH2+]CC12CCN([C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)CC2 ZINC001575524984 1272178684 /nfs/dbraw/zinc/17/86/84/1272178684.db2.gz XISONDVIVOIBDB-JYJNAYRXSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@H](C[NH2+]CCc1cn[nH]n1)N(C)C(=O)C(C)(C)CN1CCOCC1 ZINC001575613361 1272236264 /nfs/dbraw/zinc/23/62/64/1272236264.db2.gz SYRRLDIGEAJIPF-CQSZACIVSA-N 1 3 352.483 0.142 20 0 FCADHO C[C@H](C[NH2+]CCc1c[nH]nn1)N(C)C(=O)C(C)(C)CN1CCOCC1 ZINC001575613361 1272236266 /nfs/dbraw/zinc/23/62/66/1272236266.db2.gz SYRRLDIGEAJIPF-CQSZACIVSA-N 1 3 352.483 0.142 20 0 FCADHO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2ccncc2)c1 ZINC001576061996 1272808288 /nfs/dbraw/zinc/80/82/88/1272808288.db2.gz YATVMOJZMZIIBW-CZUORRHYSA-N 1 3 366.429 0.821 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)CN)C1 ZINC001576259802 1273049093 /nfs/dbraw/zinc/04/90/93/1273049093.db2.gz RIYKYAHUGFSMOW-GUYCJALGSA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](C[C@@](C)(O)CN)C1 ZINC001576259802 1273049100 /nfs/dbraw/zinc/04/91/00/1273049100.db2.gz RIYKYAHUGFSMOW-GUYCJALGSA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@@](C)(O)C[NH3+])C1 ZINC001576259802 1273049104 /nfs/dbraw/zinc/04/91/04/1273049104.db2.gz RIYKYAHUGFSMOW-GUYCJALGSA-N 1 3 358.483 0.049 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCc3cn[nH]n3)C2)CC1 ZINC001576751754 1273623223 /nfs/dbraw/zinc/62/32/23/1273623223.db2.gz LIGGQIKPPLRYBD-CHWSQXEVSA-N 1 3 374.411 0.668 20 0 FCADHO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCC1 ZINC001576798920 1273705314 /nfs/dbraw/zinc/70/53/14/1273705314.db2.gz ZAJGNTSIGAFUED-CABCVRRESA-N 1 3 361.494 0.465 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902871 1273909641 /nfs/dbraw/zinc/90/96/41/1273909641.db2.gz GHEAOACJRZJPSZ-CVEARBPZSA-N 1 3 362.478 0.181 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902871 1273909646 /nfs/dbraw/zinc/90/96/46/1273909646.db2.gz GHEAOACJRZJPSZ-CVEARBPZSA-N 1 3 362.478 0.181 20 0 FCADHO CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577759519 1274840087 /nfs/dbraw/zinc/84/00/87/1274840087.db2.gz GZBAQKLTONMWRY-MGPQQGTHSA-N 1 3 351.499 0.682 20 0 FCADHO O=C(NCC=CC[NH2+]CCc1cn[nH]n1)c1ccn(-c2ccncc2)n1 ZINC001578005616 1275268728 /nfs/dbraw/zinc/26/87/28/1275268728.db2.gz BWJPDKCYNWXEBL-OWOJBTEDSA-N 1 3 352.402 0.504 20 0 FCADHO O=C(NCC=CC[NH2+]CCc1c[nH]nn1)c1ccn(-c2ccncc2)n1 ZINC001578005616 1275268734 /nfs/dbraw/zinc/26/87/34/1275268734.db2.gz BWJPDKCYNWXEBL-OWOJBTEDSA-N 1 3 352.402 0.504 20 0 FCADHO CCc1nnc(N2CC[C@H]([NH2+]C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001578314871 1275655193 /nfs/dbraw/zinc/65/51/93/1275655193.db2.gz FGGMVNDDUNEXCT-IRXDYDNUSA-N 1 3 363.554 0.912 20 0 FCADHO CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578315632 1275655345 /nfs/dbraw/zinc/65/53/45/1275655345.db2.gz VBFLAHHMIPHYHK-IRXDYDNUSA-N 1 3 363.554 0.912 20 0 FCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC001578423392 1275792979 /nfs/dbraw/zinc/79/29/79/1275792979.db2.gz FGPNZIQNDWLWQL-KDYLLFBJSA-N 1 3 357.462 0.865 20 0 FCADHO C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001578972551 1276517837 /nfs/dbraw/zinc/51/78/37/1276517837.db2.gz RAHFAATWHKDLLM-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001578972551 1276517838 /nfs/dbraw/zinc/51/78/38/1276517838.db2.gz RAHFAATWHKDLLM-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C[NH+](C)C ZINC001578992555 1276567788 /nfs/dbraw/zinc/56/77/88/1276567788.db2.gz ZPPNXQFIRKFELL-IAGOWNOFSA-N 1 3 371.489 0.607 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C[NH+](C)C ZINC001578992555 1276567792 /nfs/dbraw/zinc/56/77/92/1276567792.db2.gz ZPPNXQFIRKFELL-IAGOWNOFSA-N 1 3 371.489 0.607 20 0 FCADHO C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177191 1276937643 /nfs/dbraw/zinc/93/76/43/1276937643.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177191 1276937647 /nfs/dbraw/zinc/93/76/47/1276937647.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177191 1276937652 /nfs/dbraw/zinc/93/76/52/1276937652.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177191 1276937656 /nfs/dbraw/zinc/93/76/56/1276937656.db2.gz ZHJKMACIKRLWDW-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331356 1277160377 /nfs/dbraw/zinc/16/03/77/1277160377.db2.gz AUXZVINJRJZYOI-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331356 1277160382 /nfs/dbraw/zinc/16/03/82/1277160382.db2.gz AUXZVINJRJZYOI-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331692 1277162574 /nfs/dbraw/zinc/16/25/74/1277162574.db2.gz GPYIXTPUKBFDOS-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331692 1277162578 /nfs/dbraw/zinc/16/25/78/1277162578.db2.gz GPYIXTPUKBFDOS-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331692 1277162580 /nfs/dbraw/zinc/16/25/80/1277162580.db2.gz GPYIXTPUKBFDOS-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331692 1277162585 /nfs/dbraw/zinc/16/25/85/1277162585.db2.gz GPYIXTPUKBFDOS-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338336 1277180106 /nfs/dbraw/zinc/18/01/06/1277180106.db2.gz KEDNLBUHBGOXPG-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338336 1277180108 /nfs/dbraw/zinc/18/01/08/1277180108.db2.gz KEDNLBUHBGOXPG-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338336 1277180111 /nfs/dbraw/zinc/18/01/11/1277180111.db2.gz KEDNLBUHBGOXPG-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338336 1277180237 /nfs/dbraw/zinc/18/02/37/1277180237.db2.gz KEDNLBUHBGOXPG-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338224 1277180954 /nfs/dbraw/zinc/18/09/54/1277180954.db2.gz JVAPRRDCQJKDQX-CWRNSKLLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338224 1277180956 /nfs/dbraw/zinc/18/09/56/1277180956.db2.gz JVAPRRDCQJKDQX-CWRNSKLLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338224 1277180959 /nfs/dbraw/zinc/18/09/59/1277180959.db2.gz JVAPRRDCQJKDQX-CWRNSKLLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338224 1277180964 /nfs/dbraw/zinc/18/09/64/1277180964.db2.gz JVAPRRDCQJKDQX-CWRNSKLLSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580280022 1278079077 /nfs/dbraw/zinc/07/90/77/1278079077.db2.gz QVPRUOBWDMTVCJ-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580280022 1278079087 /nfs/dbraw/zinc/07/90/87/1278079087.db2.gz QVPRUOBWDMTVCJ-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958798 1279162001 /nfs/dbraw/zinc/16/20/01/1279162001.db2.gz KZLGNADIYMDOOC-CZUORRHYSA-N 1 3 372.477 0.851 20 0 FCADHO Cc1cc(N[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994958 1279203126 /nfs/dbraw/zinc/20/31/26/1279203126.db2.gz UMOAFDWZLONEGP-ZDUSSCGKSA-N 1 3 372.477 0.783 20 0 FCADHO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003674 1279220946 /nfs/dbraw/zinc/22/09/46/1279220946.db2.gz FGXSODPKLSIYJQ-CZUORRHYSA-N 1 3 372.477 0.591 20 0 FCADHO Cc1cc(NC[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581009996 1279236020 /nfs/dbraw/zinc/23/60/20/1279236020.db2.gz BHIUIRFLTIZKLK-BLLLJJGKSA-N 1 3 374.493 0.742 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030103 1279266412 /nfs/dbraw/zinc/26/64/12/1279266412.db2.gz LDHHXAPNDYEEML-CZUORRHYSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030103 1279266419 /nfs/dbraw/zinc/26/64/19/1279266419.db2.gz LDHHXAPNDYEEML-CZUORRHYSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1C ZINC001581612494 1280242034 /nfs/dbraw/zinc/24/20/34/1280242034.db2.gz PVFBCVRPDCYNBX-ZIAGYGMSSA-N 1 3 359.482 0.449 20 0 FCADHO Cc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(-c2nn[n-]n2)c1C ZINC001581612494 1280242041 /nfs/dbraw/zinc/24/20/41/1280242041.db2.gz PVFBCVRPDCYNBX-ZIAGYGMSSA-N 1 3 359.482 0.449 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001581809053 1280548723 /nfs/dbraw/zinc/54/87/23/1280548723.db2.gz BSTACBWNERYHLT-BRWVUGGUSA-N 1 3 352.523 0.975 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001581809053 1280548731 /nfs/dbraw/zinc/54/87/31/1280548731.db2.gz BSTACBWNERYHLT-BRWVUGGUSA-N 1 3 352.523 0.975 20 0 FCADHO CC[NH2+]CC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001604357138 1287613249 /nfs/dbraw/zinc/61/32/49/1287613249.db2.gz UZNHSRCRXHRSIM-INIZCTEOSA-N 1 3 360.462 0.928 20 0 FCADHO CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001719238847 1287926566 /nfs/dbraw/zinc/92/65/66/1287926566.db2.gz GAZBQQZWJVZLHM-BRWVUGGUSA-N 1 3 368.522 0.256 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001719419653 1288115230 /nfs/dbraw/zinc/11/52/30/1288115230.db2.gz XKVHJIXSQSSJFT-PNBKFKSVSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001719419653 1288115234 /nfs/dbraw/zinc/11/52/34/1288115234.db2.gz XKVHJIXSQSSJFT-PNBKFKSVSA-N 1 3 350.507 0.822 20 0 FCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)CC(C)(C)C ZINC001691917030 1289341986 /nfs/dbraw/zinc/34/19/86/1289341986.db2.gz CTVXXTIMCOZJER-LSDHHAIUSA-N 1 3 361.552 0.883 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001691917940 1289343180 /nfs/dbraw/zinc/34/31/80/1289343180.db2.gz UNQIIWRKYJSMQK-IXDOHACOSA-N 1 3 350.507 0.825 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cnn(C)c1 ZINC001691978759 1289355925 /nfs/dbraw/zinc/35/59/25/1289355925.db2.gz TUAUSCIIMUCVRQ-DLBZAZTESA-N 1 3 360.462 0.697 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001692042455 1289375332 /nfs/dbraw/zinc/37/53/32/1289375332.db2.gz VDBKLLGJCYSDGK-OWCLPIDISA-N 1 3 368.522 0.306 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(=O)NCCNCCF)C2)CC[N@@H+]1C ZINC001752926124 1290616432 /nfs/dbraw/zinc/61/64/32/1290616432.db2.gz JSXKCXPTUKRZQO-HRCADAONSA-N 1 3 356.486 0.631 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(=O)NCCNCCF)C2)CC[N@H+]1C ZINC001752926124 1290616437 /nfs/dbraw/zinc/61/64/37/1290616437.db2.gz JSXKCXPTUKRZQO-HRCADAONSA-N 1 3 356.486 0.631 20 0 FCADHO CCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001754225996 1290626846 /nfs/dbraw/zinc/62/68/46/1290626846.db2.gz VINVNLYOIKPNIV-HZSPNIEDSA-N 1 3 355.483 0.047 20 0 FCADHO CCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001754225996 1290626858 /nfs/dbraw/zinc/62/68/58/1290626858.db2.gz VINVNLYOIKPNIV-HZSPNIEDSA-N 1 3 355.483 0.047 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)C1 ZINC001757182571 1290731878 /nfs/dbraw/zinc/73/18/78/1290731878.db2.gz GAUOWGXMJWMLOH-BBWFWOEESA-N 1 3 368.522 0.137 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)C1 ZINC001757182571 1290731882 /nfs/dbraw/zinc/73/18/82/1290731882.db2.gz GAUOWGXMJWMLOH-BBWFWOEESA-N 1 3 368.522 0.137 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC001677437900 1292235359 /nfs/dbraw/zinc/23/53/59/1292235359.db2.gz FQDPTTNDSXHJHU-UHFFFAOYSA-N 1 3 369.554 0.813 20 0 FCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC001679408581 1292303765 /nfs/dbraw/zinc/30/37/65/1292303765.db2.gz DETROLLMSQJOAP-FUHWJXTLSA-N 1 3 368.522 0.633 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CN3CCC[C@H]3C)CC2)CC[N@@H+]1C ZINC001689588123 1294801545 /nfs/dbraw/zinc/80/15/45/1294801545.db2.gz VHASKQLKRJGEIB-OWCLPIDISA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CN3CCC[C@H]3C)CC2)CC[N@H+]1C ZINC001689588123 1294801554 /nfs/dbraw/zinc/80/15/54/1294801554.db2.gz VHASKQLKRJGEIB-OWCLPIDISA-N 1 3 350.507 0.966 20 0 FCADHO CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001691837443 1294932238 /nfs/dbraw/zinc/93/22/38/1294932238.db2.gz BUQXBTKRYMYNMT-CABCVRRESA-N 1 3 369.510 0.391 20 0 FCADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866888 721060261 /nfs/dbraw/zinc/06/02/61/721060261.db2.gz GPJLXDKTLNTTKN-ROUUACIJSA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866618 721112326 /nfs/dbraw/zinc/11/23/26/721112326.db2.gz UGOSRUDTKNCJEV-MSOLQXFVSA-N 1 3 366.469 0.997 20 0 FCADHO CN1CCN(c2nccc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)n2)CC1 ZINC001164929160 721884747 /nfs/dbraw/zinc/88/47/47/721884747.db2.gz AGYPVSHZQWLBHX-DLBZAZTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929160 721884750 /nfs/dbraw/zinc/88/47/50/721884750.db2.gz AGYPVSHZQWLBHX-DLBZAZTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929160 721884751 /nfs/dbraw/zinc/88/47/51/721884751.db2.gz AGYPVSHZQWLBHX-DLBZAZTESA-N 1 3 359.522 0.443 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCCN2C)n1 ZINC001070354315 837648419 /nfs/dbraw/zinc/64/84/19/837648419.db2.gz BYHMJDFFGWVKMK-MJBXVCDLSA-N 1 3 350.467 0.387 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001100343362 844051891 /nfs/dbraw/zinc/05/18/91/844051891.db2.gz CFEULODTGWRKTP-IKWCTNDRSA-N 1 3 366.491 0.301 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001100343362 844051898 /nfs/dbraw/zinc/05/18/98/844051898.db2.gz CFEULODTGWRKTP-IKWCTNDRSA-N 1 3 366.491 0.301 20 0 FCADHO C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379656528 836050342 /nfs/dbraw/zinc/05/03/42/836050342.db2.gz PKHXBOWEZHQEAZ-WBVHZDCISA-N 1 3 352.504 0.779 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC4(C3)OCCO4)CC2)CC1 ZINC000745789960 836152355 /nfs/dbraw/zinc/15/23/55/836152355.db2.gz SRIBYYJFJROCCZ-UHFFFAOYSA-N 1 3 352.479 0.703 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCCC1 ZINC000746371939 836177357 /nfs/dbraw/zinc/17/73/57/836177357.db2.gz LOSQDFUZOJDKCQ-AWEZNQCLSA-N 1 3 350.467 0.374 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001059678517 836639473 /nfs/dbraw/zinc/63/94/73/836639473.db2.gz VGFHRIIXUFAVOL-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001059678517 836639479 /nfs/dbraw/zinc/63/94/79/836639479.db2.gz VGFHRIIXUFAVOL-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001077892667 839210091 /nfs/dbraw/zinc/21/00/91/839210091.db2.gz CZOQKEXYIJMHPQ-HZPDHXFCSA-N 1 3 366.531 0.887 20 0 FCADHO Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001077892667 839210104 /nfs/dbraw/zinc/21/01/04/839210104.db2.gz CZOQKEXYIJMHPQ-HZPDHXFCSA-N 1 3 366.531 0.887 20 0 FCADHO Cc1ncsc1CCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892667 839210110 /nfs/dbraw/zinc/21/01/10/839210110.db2.gz CZOQKEXYIJMHPQ-HZPDHXFCSA-N 1 3 366.531 0.887 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259536 839501897 /nfs/dbraw/zinc/50/18/97/839501897.db2.gz FMSULEXAVIDAFT-IXDOHACOSA-N 1 3 351.491 0.260 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214734 844447137 /nfs/dbraw/zinc/44/71/37/844447137.db2.gz BNVNWNGFUNJOHC-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288824 844459988 /nfs/dbraw/zinc/45/99/88/844459988.db2.gz XGOIHSXTXQAKGR-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320503 844466573 /nfs/dbraw/zinc/46/65/73/844466573.db2.gz FTDDKGRCGWWGFA-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001102330172 844467554 /nfs/dbraw/zinc/46/75/54/844467554.db2.gz HAGRWAPXLLJEPO-DJIMGWMZSA-N 1 3 352.523 0.783 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001102330172 844467562 /nfs/dbraw/zinc/46/75/62/844467562.db2.gz HAGRWAPXLLJEPO-DJIMGWMZSA-N 1 3 352.523 0.783 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369941 844478395 /nfs/dbraw/zinc/47/83/95/844478395.db2.gz LGHBZANDYDOXPD-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369941 844478396 /nfs/dbraw/zinc/47/83/96/844478396.db2.gz LGHBZANDYDOXPD-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433981 844497163 /nfs/dbraw/zinc/49/71/63/844497163.db2.gz JMPYDZAWCBJTTQ-BFYDXBDKSA-N 1 3 352.523 0.879 20 0 FCADHO CO[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840769 840060751 /nfs/dbraw/zinc/06/07/51/840060751.db2.gz SUNKRDFSYFYEOL-BRWVUGGUSA-N 1 3 351.491 0.714 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)C1 ZINC001082096063 840183227 /nfs/dbraw/zinc/18/32/27/840183227.db2.gz WYEPSFUNAZAUSB-XAWIXRBMSA-N 1 3 353.507 0.959 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475503 844516081 /nfs/dbraw/zinc/51/60/81/844516081.db2.gz REDVTSHFMBKZKC-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475503 844516089 /nfs/dbraw/zinc/51/60/89/844516089.db2.gz REDVTSHFMBKZKC-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102475600 844516351 /nfs/dbraw/zinc/51/63/51/844516351.db2.gz VUCZCRPXKVVQQA-NVXWUHKLSA-N 1 3 356.511 0.165 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102475600 844516356 /nfs/dbraw/zinc/51/63/56/844516356.db2.gz VUCZCRPXKVVQQA-NVXWUHKLSA-N 1 3 356.511 0.165 20 0 FCADHO CO[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328344 840311247 /nfs/dbraw/zinc/31/12/47/840311247.db2.gz PAVIFADQTVADIL-BRWVUGGUSA-N 1 3 351.491 0.857 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082562158 840466035 /nfs/dbraw/zinc/46/60/35/840466035.db2.gz SLNLSWMVGOEEJY-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N1CCCC1 ZINC001082570556 840470516 /nfs/dbraw/zinc/47/05/16/840470516.db2.gz QIGLCVQZZKVDKD-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N1CCCC1 ZINC001082570556 840470521 /nfs/dbraw/zinc/47/05/21/840470521.db2.gz QIGLCVQZZKVDKD-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511019 844542024 /nfs/dbraw/zinc/54/20/24/844542024.db2.gz GINCJRKVRLOUJL-HZPDHXFCSA-N 1 3 356.511 0.117 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515509 844546279 /nfs/dbraw/zinc/54/62/79/844546279.db2.gz WVPPRIBBMWJCLD-HZPDHXFCSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741111 840543550 /nfs/dbraw/zinc/54/35/50/840543550.db2.gz PWBOJZVJFLMCTC-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524669 844551309 /nfs/dbraw/zinc/55/13/09/844551309.db2.gz QCYKPRNZELXYPW-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524669 844551312 /nfs/dbraw/zinc/55/13/12/844551312.db2.gz QCYKPRNZELXYPW-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082943624 840616624 /nfs/dbraw/zinc/61/66/24/840616624.db2.gz SVUSGZPNBQHQCO-BZUAXINKSA-N 1 3 351.495 0.323 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274860 840857293 /nfs/dbraw/zinc/85/72/93/840857293.db2.gz CVTUSUPFFXNRFQ-OKZBNKHCSA-N 1 3 351.491 0.666 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC4CCOCC4)C[C@@H]32)C1 ZINC001083274860 840857301 /nfs/dbraw/zinc/85/73/01/840857301.db2.gz CVTUSUPFFXNRFQ-OKZBNKHCSA-N 1 3 351.491 0.666 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601768 844594370 /nfs/dbraw/zinc/59/43/70/844594370.db2.gz OZLYBJQRIPNJLK-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)CN1CC[C@H](O)C1)CC2 ZINC001275799912 861195871 /nfs/dbraw/zinc/19/58/71/861195871.db2.gz PKWLFIZMKKWNIE-HNNXBMFYSA-N 1 3 364.515 0.943 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001275799912 861195874 /nfs/dbraw/zinc/19/58/74/861195874.db2.gz PKWLFIZMKKWNIE-HNNXBMFYSA-N 1 3 364.515 0.943 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001275799912 861195877 /nfs/dbraw/zinc/19/58/77/861195877.db2.gz PKWLFIZMKKWNIE-HNNXBMFYSA-N 1 3 364.515 0.943 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001083833158 841478234 /nfs/dbraw/zinc/47/82/34/841478234.db2.gz LPYLMYXNHNZUSF-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO CC(=O)[C@@H](C)N1C[C@]2(CCN(CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833365 861218701 /nfs/dbraw/zinc/21/87/01/861218701.db2.gz CIULDASTJJPPSJ-DNVCBOLYSA-N 1 3 351.491 0.999 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1CNCc1cnns1 ZINC001087055355 842251271 /nfs/dbraw/zinc/25/12/71/842251271.db2.gz IHIPMDYXZDHAHT-RRCSTGOVSA-N 1 3 367.519 0.831 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1CNCc1cnns1 ZINC001087055355 842251286 /nfs/dbraw/zinc/25/12/86/842251286.db2.gz IHIPMDYXZDHAHT-RRCSTGOVSA-N 1 3 367.519 0.831 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001087249227 842326873 /nfs/dbraw/zinc/32/68/73/842326873.db2.gz QBZAWEHSKNFMBK-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087797121 842433655 /nfs/dbraw/zinc/43/36/55/842433655.db2.gz YWKSGZKZUUMRIR-OWCLPIDISA-N 1 3 351.495 0.323 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087797121 842433658 /nfs/dbraw/zinc/43/36/58/842433658.db2.gz YWKSGZKZUUMRIR-OWCLPIDISA-N 1 3 351.495 0.323 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093285537 843420770 /nfs/dbraw/zinc/42/07/70/843420770.db2.gz QTYVXHYCKMXJCJ-OAGGEKHMSA-N 1 3 350.507 0.681 20 0 FCADHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1=O ZINC001093821162 843475462 /nfs/dbraw/zinc/47/54/62/843475462.db2.gz TTXMBFLMPWYMGW-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001094074530 843508277 /nfs/dbraw/zinc/50/82/77/843508277.db2.gz GNLLNVYONPJCFW-QLFBSQMISA-N 1 3 368.503 0.461 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094074753 843508378 /nfs/dbraw/zinc/50/83/78/843508378.db2.gz KJMLYWXASFYAKW-MGPQQGTHSA-N 1 3 354.476 0.071 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083665 844697720 /nfs/dbraw/zinc/69/77/20/844697720.db2.gz CNFFGCDWEJHHIF-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083665 844697722 /nfs/dbraw/zinc/69/77/22/844697722.db2.gz CNFFGCDWEJHHIF-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141417 844706806 /nfs/dbraw/zinc/70/68/06/844706806.db2.gz DYSYSCVJYNGPOS-HZPDHXFCSA-N 1 3 350.507 0.683 20 0 FCADHO COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438518 844758676 /nfs/dbraw/zinc/75/86/76/844758676.db2.gz NQROJWZIVCKYRW-ZACQAIPSSA-N 1 3 355.523 0.800 20 0 FCADHO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438518 844758679 /nfs/dbraw/zinc/75/86/79/844758679.db2.gz NQROJWZIVCKYRW-ZACQAIPSSA-N 1 3 355.523 0.800 20 0 FCADHO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721627 844807755 /nfs/dbraw/zinc/80/77/55/844807755.db2.gz ZYAMMBDCUOSGFE-OAGGEKHMSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721627 844807758 /nfs/dbraw/zinc/80/77/58/844807758.db2.gz ZYAMMBDCUOSGFE-OAGGEKHMSA-N 1 3 359.536 0.447 20 0 FCADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291831 844891520 /nfs/dbraw/zinc/89/15/20/844891520.db2.gz WSTKZYNFEWFINE-KYJSFNMBSA-N 1 3 352.523 0.927 20 0 FCADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683928 844932262 /nfs/dbraw/zinc/93/22/62/844932262.db2.gz VLHJNSYYWUJGHY-BRWVUGGUSA-N 1 3 355.523 0.800 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001104678777 844932767 /nfs/dbraw/zinc/93/27/67/844932767.db2.gz BIMYVDLSZFVDKN-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105664158 845012688 /nfs/dbraw/zinc/01/26/88/845012688.db2.gz WXUPUXSECOBZDV-ZAWLATJESA-N 1 3 355.523 0.941 20 0 FCADHO CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105668036 845014836 /nfs/dbraw/zinc/01/48/36/845014836.db2.gz VZEGAWFPUMUKIL-XYVMCAHJSA-N 1 3 359.486 0.500 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001105946286 845064747 /nfs/dbraw/zinc/06/47/47/845064747.db2.gz PLWGJQLPFZAZRF-JHJVBQTASA-N 1 3 366.491 0.255 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001105945323 845065221 /nfs/dbraw/zinc/06/52/21/845065221.db2.gz SYGPCYJWFLJNHD-MGPQQGTHSA-N 1 3 365.503 0.860 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246495 845142006 /nfs/dbraw/zinc/14/20/06/845142006.db2.gz MEDHWPPWLCMLSI-HZPDHXFCSA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249550 845143078 /nfs/dbraw/zinc/14/30/78/845143078.db2.gz KGXWJFBBEVPXMD-QGPMSJSTSA-N 1 3 352.523 0.879 20 0 FCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249642 845143149 /nfs/dbraw/zinc/14/31/49/845143149.db2.gz LUOZYAVNKWHGJG-KYJSFNMBSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1)N(C)C ZINC001106308864 845151789 /nfs/dbraw/zinc/15/17/89/845151789.db2.gz FJOSUOWJDUUWDK-DJIMGWMZSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)N(C)C ZINC001106635404 845209333 /nfs/dbraw/zinc/20/93/33/845209333.db2.gz ZLFGSVFSNDBFHS-QGPMSJSTSA-N 1 3 352.523 0.783 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106664874 845218258 /nfs/dbraw/zinc/21/82/58/845218258.db2.gz BLLKFJCTNLFDPJ-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106785200 845253113 /nfs/dbraw/zinc/25/31/13/845253113.db2.gz ZTYHMZOAMUVCEV-ARFHVFGLSA-N 1 3 361.552 0.693 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109673333 845711578 /nfs/dbraw/zinc/71/15/78/845711578.db2.gz IZVHKMNZHKYWND-RFGFWPKPSA-N 1 3 367.412 0.599 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918585 845760483 /nfs/dbraw/zinc/76/04/83/845760483.db2.gz PSEULOQOTFHLQP-BDXSIMOUSA-N 1 3 353.507 0.836 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798136 861612898 /nfs/dbraw/zinc/61/28/98/861612898.db2.gz AYKDBNXPTOTROQ-QAPCUYQASA-N 1 3 357.495 0.027 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111952584 846273716 /nfs/dbraw/zinc/27/37/16/846273716.db2.gz PCUUCKFEAWPJNZ-IYOUNJFTSA-N 1 3 350.463 0.104 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111952584 846273726 /nfs/dbraw/zinc/27/37/26/846273726.db2.gz PCUUCKFEAWPJNZ-IYOUNJFTSA-N 1 3 350.463 0.104 20 0 FCADHO CCCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984953 846283852 /nfs/dbraw/zinc/28/38/52/846283852.db2.gz WINPJOUMLZOBNJ-GJYPPUQNSA-N 1 3 350.507 0.968 20 0 FCADHO COC[C@H](O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154292 846422565 /nfs/dbraw/zinc/42/25/65/846422565.db2.gz DZAUUNJWCAIYQM-JHJVBQTASA-N 1 3 355.401 0.314 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C1CCC1 ZINC001112401388 846500868 /nfs/dbraw/zinc/50/08/68/846500868.db2.gz BAPOJUYSRWWTDR-LPHOPBHVSA-N 1 3 353.507 0.698 20 0 FCADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531681 846516646 /nfs/dbraw/zinc/51/66/46/846516646.db2.gz KZHGQIMFYSXASQ-KXBFYZLASA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112540237 846518861 /nfs/dbraw/zinc/51/88/61/846518861.db2.gz MRDJPOIMQYGRAB-BXWFABGCSA-N 1 3 350.507 0.953 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112568060 846526019 /nfs/dbraw/zinc/52/60/19/846526019.db2.gz VSQQWZUHAYEDIL-BXWFABGCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001117122030 846898768 /nfs/dbraw/zinc/89/87/68/846898768.db2.gz FNRADXBEGDAOKX-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001117122030 846898776 /nfs/dbraw/zinc/89/87/76/846898776.db2.gz FNRADXBEGDAOKX-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC001117847292 847183751 /nfs/dbraw/zinc/18/37/51/847183751.db2.gz PGLUJTZOIQQMDR-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC001117858761 847187708 /nfs/dbraw/zinc/18/77/08/847187708.db2.gz QNOHWEWIPQSPRQ-GOSISDBHSA-N 1 3 370.563 0.684 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CCCCCS(N)(=O)=O)CC2)CC1 ZINC001118302878 847371477 /nfs/dbraw/zinc/37/14/77/847371477.db2.gz BCYDWEPIHJTIDQ-UHFFFAOYSA-N 1 3 374.551 0.510 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121928366 848419827 /nfs/dbraw/zinc/41/98/27/848419827.db2.gz NVYCOPKOKRUYCS-OAHLLOKOSA-N 1 3 351.495 0.275 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001121928022 848420079 /nfs/dbraw/zinc/42/00/79/848420079.db2.gz MAIVPTVUGUORRK-KURKYZTESA-N 1 3 352.523 0.677 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001122009385 848434069 /nfs/dbraw/zinc/43/40/69/848434069.db2.gz NUPOFEORUSSYDV-BDXSIMOUSA-N 1 3 352.523 0.676 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C2CC2)C2CCCC2)CC[N@@H+]1C ZINC001127643683 848729959 /nfs/dbraw/zinc/72/99/59/848729959.db2.gz GQVLCAPMVKRSBK-RHSMWYFYSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C2CC2)C2CCCC2)CC[N@H+]1C ZINC001127643683 848729971 /nfs/dbraw/zinc/72/99/71/848729971.db2.gz GQVLCAPMVKRSBK-RHSMWYFYSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCCNS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC001127643804 848730248 /nfs/dbraw/zinc/73/02/48/848730248.db2.gz MIJAWZXDOZRISR-GDBMZVCRSA-N 1 3 368.503 0.011 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCCNS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC001127643804 848730250 /nfs/dbraw/zinc/73/02/50/848730250.db2.gz MIJAWZXDOZRISR-GDBMZVCRSA-N 1 3 368.503 0.011 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127643852 848730469 /nfs/dbraw/zinc/73/04/69/848730469.db2.gz NZILGLQOOHBVTC-IJLUTSLNSA-N 1 3 350.385 0.196 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127643852 848730472 /nfs/dbraw/zinc/73/04/72/848730472.db2.gz NZILGLQOOHBVTC-IJLUTSLNSA-N 1 3 350.385 0.196 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001127705348 848733257 /nfs/dbraw/zinc/73/32/57/848733257.db2.gz ARGKSSSAYABAED-SDDRHHMPSA-N 1 3 352.401 0.490 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001127705348 848733263 /nfs/dbraw/zinc/73/32/63/848733263.db2.gz ARGKSSSAYABAED-SDDRHHMPSA-N 1 3 352.401 0.490 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129919173 848916375 /nfs/dbraw/zinc/91/63/75/848916375.db2.gz PLPIUUZOQNSBTM-KFWWJZLASA-N 1 3 352.483 0.385 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130075623 848939265 /nfs/dbraw/zinc/93/92/65/848939265.db2.gz XIJZTOWUVKCKKG-CVEARBPZSA-N 1 3 352.483 0.386 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130075623 848939270 /nfs/dbraw/zinc/93/92/70/848939270.db2.gz XIJZTOWUVKCKKG-CVEARBPZSA-N 1 3 352.483 0.386 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136935 848950641 /nfs/dbraw/zinc/95/06/41/848950641.db2.gz AAOQGYWKQBNWHV-CVEARBPZSA-N 1 3 352.483 0.386 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130611885 849019271 /nfs/dbraw/zinc/01/92/71/849019271.db2.gz JSFOPUXERINITJ-UAGQMJEPSA-N 1 3 351.495 0.537 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1 ZINC001131091616 849078583 /nfs/dbraw/zinc/07/85/83/849078583.db2.gz LTMVOIDMDUTMLI-HZPDHXFCSA-N 1 3 351.495 0.682 20 0 FCADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1)N(C)C ZINC001131570088 849124592 /nfs/dbraw/zinc/12/45/92/849124592.db2.gz AMDNCADXWJDSSV-VYDXJSESSA-N 1 3 354.495 0.058 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC)CC1 ZINC001131587792 849127874 /nfs/dbraw/zinc/12/78/74/849127874.db2.gz AABQAHOMVCNRQH-QAPCUYQASA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC)CC1 ZINC001131587792 849127878 /nfs/dbraw/zinc/12/78/78/849127878.db2.gz AABQAHOMVCNRQH-QAPCUYQASA-N 1 3 354.495 0.060 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001131594812 849128709 /nfs/dbraw/zinc/12/87/09/849128709.db2.gz FLZJTOBJYLKSJZ-QAPCUYQASA-N 1 3 354.495 0.189 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001131594812 849128711 /nfs/dbraw/zinc/12/87/11/849128711.db2.gz FLZJTOBJYLKSJZ-QAPCUYQASA-N 1 3 354.495 0.189 20 0 FCADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)on1 ZINC001136542063 849227050 /nfs/dbraw/zinc/22/70/50/849227050.db2.gz VTEBBQANRWNCNS-ZDUSSCGKSA-N 1 3 352.435 0.949 20 0 FCADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277695618 862001712 /nfs/dbraw/zinc/00/17/12/862001712.db2.gz QEMAJYJAQAXHOL-SMDDNHRTSA-N 1 3 351.369 0.312 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CCC3(CCCN3CC(=O)NC)CC2)CC1 ZINC001146780319 849566040 /nfs/dbraw/zinc/56/60/40/849566040.db2.gz WZIPSWYJXGGLJO-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)N(C)C[C@H]2C[NH2+]CCO2)cc1 ZINC001157721489 849988684 /nfs/dbraw/zinc/98/86/84/849988684.db2.gz YPTZZAAINLTAKT-CVEARBPZSA-N 1 3 353.488 0.703 20 0 FCADHO [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)CC1 ZINC001157755777 849990494 /nfs/dbraw/zinc/99/04/94/849990494.db2.gz SKIAPCWAOXSWJD-FZMZJTMJSA-N 1 3 370.391 0.842 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810381 849996951 /nfs/dbraw/zinc/99/69/51/849996951.db2.gz MXKFUJKCNYOOGQ-AICCOOGYSA-N 1 3 358.552 0.793 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001158180038 850020889 /nfs/dbraw/zinc/02/08/89/850020889.db2.gz RBJSEPGDIFTKSK-HYVNUMGLSA-N 1 3 365.499 0.703 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306981 850036059 /nfs/dbraw/zinc/03/60/59/850036059.db2.gz ZRNOUVJRWHTSIG-LXFSFDBISA-N 1 3 356.536 0.418 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2cc(C)on2)CC[N@@H+]1C ZINC001158404506 850048059 /nfs/dbraw/zinc/04/80/59/850048059.db2.gz ULRMVIVKFRVDFS-UONOGXRCSA-N 1 3 351.451 0.748 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2cc(C)on2)CC[N@H+]1C ZINC001158404506 850048063 /nfs/dbraw/zinc/04/80/63/850048063.db2.gz ULRMVIVKFRVDFS-UONOGXRCSA-N 1 3 351.451 0.748 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422295 850048550 /nfs/dbraw/zinc/04/85/50/850048550.db2.gz JVLMLRDBNBEYLI-CRWXNKLISA-N 1 3 374.576 0.268 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1csc([C@H]2CCCN2)n1 ZINC001158506657 850057191 /nfs/dbraw/zinc/05/71/91/850057191.db2.gz PRHXXGPQDSKHCF-UZGDPCLZSA-N 1 3 364.471 0.933 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534792 850059017 /nfs/dbraw/zinc/05/90/17/850059017.db2.gz TYDZEAUFYQDUBI-MOROJQBDSA-N 1 3 353.463 0.286 20 0 FCADHO CN1CCC(N(c2ncnc(Cl)c2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158581828 850061667 /nfs/dbraw/zinc/06/16/67/850061667.db2.gz XOCMUEUWVROJLR-UHFFFAOYSA-N 1 3 352.870 0.882 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)C1CCC(C[NH3+])CC1)CC2 ZINC001158890207 850082603 /nfs/dbraw/zinc/08/26/03/850082603.db2.gz BOQUIUQCUGUUBD-UHFFFAOYSA-N 1 3 350.507 0.955 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160921 850098865 /nfs/dbraw/zinc/09/88/65/850098865.db2.gz VRHHZXZPRDWKIA-XACMVJRISA-N 1 3 359.536 0.621 20 0 FCADHO CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159540649 850121042 /nfs/dbraw/zinc/12/10/42/850121042.db2.gz DJVCSKHNOFUPGV-VKJFTORMSA-N 1 3 354.495 0.080 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159585937 850122875 /nfs/dbraw/zinc/12/28/75/850122875.db2.gz VQJFWOLVVBUMTJ-CABCVRRESA-N 1 3 367.519 0.287 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834935 850140209 /nfs/dbraw/zinc/14/02/09/850140209.db2.gz WUHBQMZEWMRRGS-RDBSUJKOSA-N 1 3 369.560 0.585 20 0 FCADHO N[C@H](C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611189 850185133 /nfs/dbraw/zinc/18/51/33/850185133.db2.gz SFRIPMQNYISADH-HOTGVXAUSA-N 1 3 351.472 0.388 20 0 FCADHO O=C(N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160610629 850185202 /nfs/dbraw/zinc/18/52/02/850185202.db2.gz IHTQQVFGFARXAQ-QGPMSJSTSA-N 1 3 363.483 0.260 20 0 FCADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](COCc1ccccc1)NC ZINC001161158159 850236246 /nfs/dbraw/zinc/23/62/46/850236246.db2.gz PZJFMYDYMCPVGW-INIZCTEOSA-N 1 3 351.447 0.532 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(N2CCCOC2=O)CC1 ZINC001161264695 850246409 /nfs/dbraw/zinc/24/64/09/850246409.db2.gz RFOYTJRWRYNAIR-OAHLLOKOSA-N 1 3 350.463 0.694 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(N2CCCOC2=O)CC1 ZINC001161264695 850246414 /nfs/dbraw/zinc/24/64/14/850246414.db2.gz RFOYTJRWRYNAIR-OAHLLOKOSA-N 1 3 350.463 0.694 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382241 850256029 /nfs/dbraw/zinc/25/60/29/850256029.db2.gz VVDAKOCRYUIGED-JYJNAYRXSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001161438651 850258756 /nfs/dbraw/zinc/25/87/56/850258756.db2.gz KANLCSUVWXDYEA-HIFRSBDPSA-N 1 3 350.488 0.379 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1)CC2 ZINC001161481108 850263462 /nfs/dbraw/zinc/26/34/62/850263462.db2.gz WIVDASMLCXTUQD-OHTBPHCPSA-N 1 3 363.380 0.671 20 0 FCADHO C[NH+]1CCN(C(=N)Nc2nc3ncsc3c(N3CCOCC3)n2)CC1 ZINC001168736633 850593453 /nfs/dbraw/zinc/59/34/53/850593453.db2.gz OSWWYRBHYGAUGM-UHFFFAOYSA-N 1 3 362.463 0.517 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132958 850607627 /nfs/dbraw/zinc/60/76/27/850607627.db2.gz ANQGQABRKOTHKE-OREBXVKISA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132958 850607634 /nfs/dbraw/zinc/60/76/34/850607634.db2.gz ANQGQABRKOTHKE-OREBXVKISA-N 1 3 351.491 0.998 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913483 851841712 /nfs/dbraw/zinc/84/17/12/851841712.db2.gz RZGYGHIMKQWSME-SOUVJXGZSA-N 1 3 350.463 0.056 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913483 851841716 /nfs/dbraw/zinc/84/17/16/851841716.db2.gz RZGYGHIMKQWSME-SOUVJXGZSA-N 1 3 350.463 0.056 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001190213128 851876841 /nfs/dbraw/zinc/87/68/41/851876841.db2.gz YDTQTYURBNGKNS-ZWKOTPCHSA-N 1 3 353.507 0.794 20 0 FCADHO CC(C)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001278423666 862322710 /nfs/dbraw/zinc/32/27/10/862322710.db2.gz WCJLXJYSEOQERE-HOTGVXAUSA-N 1 3 350.507 0.633 20 0 FCADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251992 852925002 /nfs/dbraw/zinc/92/50/02/852925002.db2.gz POTAHNCMRQBPIT-GVDBMIGSSA-N 1 3 357.495 0.075 20 0 FCADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001199057811 853361091 /nfs/dbraw/zinc/36/10/91/853361091.db2.gz UQAUNCYANHVTEK-OPQOLIRYSA-N 1 3 353.507 0.839 20 0 FCADHO CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057448 853361367 /nfs/dbraw/zinc/36/13/67/853361367.db2.gz JXXOPCZXPGBRTD-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO CCN(CC)CC(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21 ZINC001205514020 853619492 /nfs/dbraw/zinc/61/94/92/853619492.db2.gz XPPNJCTWXZHHJE-DLBZAZTESA-N 1 3 353.507 0.914 20 0 FCADHO CNC(=O)CN1CCOC[C@@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207280080 853796490 /nfs/dbraw/zinc/79/64/90/853796490.db2.gz MZBRGOPNIDNYFA-IBGZPJMESA-N 1 3 354.539 0.735 20 0 FCADHO C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001207553671 853823857 /nfs/dbraw/zinc/82/38/57/853823857.db2.gz KJBSIECGQFOAMB-KYJSFNMBSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001207553671 853823867 /nfs/dbraw/zinc/82/38/67/853823867.db2.gz KJBSIECGQFOAMB-KYJSFNMBSA-N 1 3 350.507 0.776 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208610010 853959449 /nfs/dbraw/zinc/95/94/49/853959449.db2.gz OJNGSJSTSITHRH-XLAORIBOSA-N 1 3 351.491 0.524 20 0 FCADHO C[N@H+]1CCC[C@H](CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208610010 853959452 /nfs/dbraw/zinc/95/94/52/853959452.db2.gz OJNGSJSTSITHRH-XLAORIBOSA-N 1 3 351.491 0.524 20 0 FCADHO CC(=O)N1CCC[C@H](C[NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)C1 ZINC001208983579 853986469 /nfs/dbraw/zinc/98/64/69/853986469.db2.gz UEPVBBJWAOTUQY-MRXNPFEDSA-N 1 3 350.507 0.907 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213369330 854590037 /nfs/dbraw/zinc/59/00/37/854590037.db2.gz OKVSWAFNHNLCRR-FGTMMUONSA-N 1 3 353.507 0.959 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214343966 854928127 /nfs/dbraw/zinc/92/81/27/854928127.db2.gz KVPSKBGETDXZTO-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NC(C)(C)C ZINC001214643437 854986229 /nfs/dbraw/zinc/98/62/29/854986229.db2.gz QKJKTCLCVUFBDW-VNQPRFMTSA-N 1 3 350.507 0.679 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855798 855023005 /nfs/dbraw/zinc/02/30/05/855023005.db2.gz OCHPPNBCXBJMQV-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855798 855023017 /nfs/dbraw/zinc/02/30/17/855023017.db2.gz OCHPPNBCXBJMQV-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1NCCS(C)(=O)=O ZINC001215015079 855052475 /nfs/dbraw/zinc/05/24/75/855052475.db2.gz FSKNVTOLBWRSHZ-GDBMZVCRSA-N 1 3 368.503 0.389 20 0 FCADHO CCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058384 855060306 /nfs/dbraw/zinc/06/03/06/855060306.db2.gz MXXGXTYMXLXBDA-OWCLPIDISA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001215234461 855086990 /nfs/dbraw/zinc/08/69/90/855086990.db2.gz WMOQYEPYTBJAOO-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCc1ccco1 ZINC001215458851 855117371 /nfs/dbraw/zinc/11/73/71/855117371.db2.gz NETSAEQNVSAAOF-IIAWOOMASA-N 1 3 350.463 0.673 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536549 855125972 /nfs/dbraw/zinc/12/59/72/855125972.db2.gz RZBJAPQAIZMMBC-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215539912 855126674 /nfs/dbraw/zinc/12/66/74/855126674.db2.gz CIAPXGOSOFUHRL-ZMSDIMECSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215558258 855128275 /nfs/dbraw/zinc/12/82/75/855128275.db2.gz PAZDQWLFEBCVLO-HUUCEWRRSA-N 1 3 359.536 0.590 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001216852073 855259009 /nfs/dbraw/zinc/25/90/09/855259009.db2.gz NUIRJORZPGRTEH-GDBMZVCRSA-N 1 3 359.536 0.588 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216852398 855260243 /nfs/dbraw/zinc/26/02/43/855260243.db2.gz XXCOVKJHNWPODY-MGPQQGTHSA-N 1 3 369.428 0.703 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H](C)C1CC[NH2+]CC1 ZINC001218002859 855389197 /nfs/dbraw/zinc/38/91/97/855389197.db2.gz MJKQQHYJSDLYKE-JTQLQIEISA-N 1 3 352.435 0.528 20 0 FCADHO CC[NH+](CC)C[C@H](C)Oc1c(C(=O)OC)nc(C(C)(C)N)n(C)c1=O ZINC001218192503 855406304 /nfs/dbraw/zinc/40/63/04/855406304.db2.gz IXHFDSFHBHHNBR-NSHDSACASA-N 1 3 354.451 0.870 20 0 FCADHO CC[N@@H+]1CCC[C@H](Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)C1 ZINC001218346997 855416474 /nfs/dbraw/zinc/41/64/74/855416474.db2.gz FVTDMDNJNROLIM-NSHDSACASA-N 1 3 352.435 0.624 20 0 FCADHO CC[N@H+]1CCC[C@H](Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)C1 ZINC001218346997 855416476 /nfs/dbraw/zinc/41/64/76/855416476.db2.gz FVTDMDNJNROLIM-NSHDSACASA-N 1 3 352.435 0.624 20 0 FCADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Br)ccc1O ZINC001218513215 855432218 /nfs/dbraw/zinc/43/22/18/855432218.db2.gz FBQUOXTXHBWIRH-SECBINFHSA-N 1 3 358.240 0.239 20 0 FCADHO COC(=O)c1nc(Br)cnc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218523129 855434176 /nfs/dbraw/zinc/43/41/76/855434176.db2.gz CLUBWHNCJOXRLY-VIFPVBQESA-N 1 3 372.223 0.291 20 0 FCADHO COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001218597390 855446354 /nfs/dbraw/zinc/44/63/54/855446354.db2.gz UAYRWXMOZBWZIB-NSHDSACASA-N 1 3 354.407 0.586 20 0 FCADHO CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001218735563 855472202 /nfs/dbraw/zinc/47/22/02/855472202.db2.gz QDVSCDNJIWSJLL-HNNXBMFYSA-N 1 3 350.467 0.455 20 0 FCADHO CN[C@@H](CCCC[NH3+])C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092358 855544329 /nfs/dbraw/zinc/54/43/29/855544329.db2.gz GMAZQSWTZCJHCC-HNNXBMFYSA-N 1 3 357.476 0.498 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCC[NH3+])c(NC(C)=O)cc1OC ZINC001219225720 855591697 /nfs/dbraw/zinc/59/16/97/855591697.db2.gz JAWFBXQESCSWJU-NSHDSACASA-N 1 3 352.391 0.445 20 0 FCADHO N[C@H](C(=O)Nc1ccc(Br)c2c1C(=O)NC2)C1CC[NH2+]CC1 ZINC001219446898 855674009 /nfs/dbraw/zinc/67/40/09/855674009.db2.gz ZNZVJHONBWUVFK-ZDUSSCGKSA-N 1 3 367.247 0.958 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796808 855817632 /nfs/dbraw/zinc/81/76/32/855817632.db2.gz RBRSMRULEDBOJV-KSZLIROESA-N 1 3 355.523 0.942 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796808 855817635 /nfs/dbraw/zinc/81/76/35/855817635.db2.gz RBRSMRULEDBOJV-KSZLIROESA-N 1 3 355.523 0.942 20 0 FCADHO CO[C@H](C[N@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369349 856088764 /nfs/dbraw/zinc/08/87/64/856088764.db2.gz HJCYAEMPEUUOBM-IXDOHACOSA-N 1 3 355.523 0.941 20 0 FCADHO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369349 856088771 /nfs/dbraw/zinc/08/87/71/856088771.db2.gz HJCYAEMPEUUOBM-IXDOHACOSA-N 1 3 355.523 0.941 20 0 FCADHO C[C@H](COCC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387323 856100709 /nfs/dbraw/zinc/10/07/09/856100709.db2.gz HLKJYUVVHFYHTQ-ZACQAIPSSA-N 1 3 359.486 0.788 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220565669 856187519 /nfs/dbraw/zinc/18/75/19/856187519.db2.gz OUBKVYHFOJVNIB-JKSUJKDBSA-N 1 3 350.463 0.731 20 0 FCADHO CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220569913 856189793 /nfs/dbraw/zinc/18/97/93/856189793.db2.gz UOTOHVSUUPBURE-KRWDZBQOSA-N 1 3 355.479 0.902 20 0 FCADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O)C(C)C ZINC001220575521 856190613 /nfs/dbraw/zinc/19/06/13/856190613.db2.gz VSBSUPPCXUMIHJ-SQNIBIBYSA-N 1 3 355.523 0.941 20 0 FCADHO COc1ccc(F)c(CN2CCC(NC(=O)CNCCC[NH3+])CC2)c1 ZINC001220911135 856370209 /nfs/dbraw/zinc/37/02/09/856370209.db2.gz HSKLRGJMFUDHHT-UHFFFAOYSA-N 1 3 352.454 0.853 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220936559 856385195 /nfs/dbraw/zinc/38/51/95/856385195.db2.gz HEZPDZGKACNZDM-HOTGVXAUSA-N 1 3 353.488 0.750 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220994391 856413310 /nfs/dbraw/zinc/41/33/10/856413310.db2.gz OQEJINYEGIIGTF-KSZLIROESA-N 1 3 353.507 0.983 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073217 856448978 /nfs/dbraw/zinc/44/89/78/856448978.db2.gz LHTCZAFZNASGEM-SQNIBIBYSA-N 1 3 353.507 0.839 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221921598 856734660 /nfs/dbraw/zinc/73/46/60/856734660.db2.gz AXGQHUARPUDLLT-KZNAEPCWSA-N 1 3 355.523 0.894 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221921598 856734663 /nfs/dbraw/zinc/73/46/63/856734663.db2.gz AXGQHUARPUDLLT-KZNAEPCWSA-N 1 3 355.523 0.894 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(CCNC(=O)C3CC3)[C@H]2C1 ZINC001223378116 856911553 /nfs/dbraw/zinc/91/15/53/856911553.db2.gz DXDFKEAQNKJJPV-WBVHZDCISA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001226323855 857097512 /nfs/dbraw/zinc/09/75/12/857097512.db2.gz USVHMHXAQOKWPB-MWQQHZPXSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)CC[N@H+]1C ZINC001226323855 857097514 /nfs/dbraw/zinc/09/75/14/857097514.db2.gz USVHMHXAQOKWPB-MWQQHZPXSA-N 1 3 350.507 0.870 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001226800537 857126633 /nfs/dbraw/zinc/12/66/33/857126633.db2.gz LQOFWNWZYWNUHE-ZACQAIPSSA-N 1 3 350.507 0.870 20 0 FCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615210 857278275 /nfs/dbraw/zinc/27/82/75/857278275.db2.gz FGSCEZRWEZSMOO-IAGOWNOFSA-N 1 3 350.507 0.871 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC001229869080 857290075 /nfs/dbraw/zinc/29/00/75/857290075.db2.gz WUTXHMMIVNTMPE-BRWVUGGUSA-N 1 3 359.511 0.369 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229877166 857291611 /nfs/dbraw/zinc/29/16/11/857291611.db2.gz MJWOCWDNCDUINN-GVDBMIGSSA-N 1 3 351.495 0.603 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC(F)(F)F)C1 ZINC001230138157 857306609 /nfs/dbraw/zinc/30/66/09/857306609.db2.gz IFVMFRXHZPVGLP-JHJVBQTASA-N 1 3 364.412 0.634 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC(F)(F)F)C1 ZINC001230138157 857306614 /nfs/dbraw/zinc/30/66/14/857306614.db2.gz IFVMFRXHZPVGLP-JHJVBQTASA-N 1 3 364.412 0.634 20 0 FCADHO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238226074 857463859 /nfs/dbraw/zinc/46/38/59/857463859.db2.gz DXGBJRHCIWVEFY-OAHLLOKOSA-N 1 3 366.487 0.798 20 0 FCADHO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238226074 857463862 /nfs/dbraw/zinc/46/38/62/857463862.db2.gz DXGBJRHCIWVEFY-OAHLLOKOSA-N 1 3 366.487 0.798 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c(OC)c1 ZINC001238238904 857464031 /nfs/dbraw/zinc/46/40/31/857464031.db2.gz ABCQPBZUMZJFRX-ZDUSSCGKSA-N 1 3 369.487 0.856 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)c(OC)c1 ZINC001238238904 857464040 /nfs/dbraw/zinc/46/40/40/857464040.db2.gz ABCQPBZUMZJFRX-ZDUSSCGKSA-N 1 3 369.487 0.856 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2nccnc2c1 ZINC001238241153 857464768 /nfs/dbraw/zinc/46/47/68/857464768.db2.gz JGMWSBQGORFJNX-ZDUSSCGKSA-N 1 3 361.471 0.782 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2nccnc2c1 ZINC001238241153 857464777 /nfs/dbraw/zinc/46/47/77/857464777.db2.gz JGMWSBQGORFJNX-ZDUSSCGKSA-N 1 3 361.471 0.782 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1cccc2nccnc21 ZINC001238241709 857464946 /nfs/dbraw/zinc/46/49/46/857464946.db2.gz KVSCDGBLTPSHPA-CYBMUJFWSA-N 1 3 361.471 0.782 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1cccc2nccnc21 ZINC001238241709 857464952 /nfs/dbraw/zinc/46/49/52/857464952.db2.gz KVSCDGBLTPSHPA-CYBMUJFWSA-N 1 3 361.471 0.782 20 0 FCADHO COC(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239719 857465468 /nfs/dbraw/zinc/46/54/68/857465468.db2.gz FWDGITRBKIYWBZ-ZDUSSCGKSA-N 1 3 367.471 0.626 20 0 FCADHO CCOc1ccc(C(=O)OC)cc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238880038 857485530 /nfs/dbraw/zinc/48/55/30/857485530.db2.gz ZXMBFOIXSCTUDI-UHFFFAOYSA-N 1 3 373.475 0.479 20 0 FCADHO C[C@H]1C[C@H](N2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700536 857591560 /nfs/dbraw/zinc/59/15/60/857591560.db2.gz GYBYYHGOGWDTHS-ATIFRJIPSA-N 1 3 351.491 0.998 20 0 FCADHO COc1cc(Br)cnc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247850043 857617968 /nfs/dbraw/zinc/61/79/68/857617968.db2.gz HBQTUQOOUHBNTG-UHFFFAOYSA-N 1 3 366.219 0.963 20 0 FCADHO CC(=O)N1CCN(c2ccncc2NC(=S)NCC[NH+](C)C)CC1 ZINC001249829956 857649202 /nfs/dbraw/zinc/64/92/02/857649202.db2.gz LYWLTIRXHYYJAZ-UHFFFAOYSA-N 1 3 350.492 0.598 20 0 FCADHO C[C@@H](CC(=O)N1CCOCC1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326070 858068122 /nfs/dbraw/zinc/06/81/22/858068122.db2.gz IMHZPKIFLICWRN-UONOGXRCSA-N 1 3 358.483 0.803 20 0 FCADHO COC(=O)[C@@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)C[C@H]1C(=O)OC ZINC001257731977 858158048 /nfs/dbraw/zinc/15/80/48/858158048.db2.gz FPCZCLLHYBQQPU-BZUAXINKSA-N 1 3 355.479 0.474 20 0 FCADHO CCCN1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1 ZINC001258774079 858210551 /nfs/dbraw/zinc/21/05/51/858210551.db2.gz VDZSWKVDUWYYKI-UAGQMJEPSA-N 1 3 359.536 0.889 20 0 FCADHO COCCc1ccc(OC[C@@H](O)C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC001262567660 859002374 /nfs/dbraw/zinc/00/23/74/859002374.db2.gz ZLGPGIKVVCINTJ-KRWDZBQOSA-N 1 3 352.475 0.662 20 0 FCADHO CN1CCC([NH+]2CCC(NC(=O)CN3CCC(CO)CC3)CC2)CC1 ZINC001262605900 859017344 /nfs/dbraw/zinc/01/73/44/859017344.db2.gz SBSNZKFISJXEMI-UHFFFAOYSA-N 1 3 352.523 0.366 20 0 FCADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001269992249 859624480 /nfs/dbraw/zinc/62/44/80/859624480.db2.gz DHUUUSSKBAXHAC-OAGGEKHMSA-N 1 3 353.511 0.940 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001270237210 859695019 /nfs/dbraw/zinc/69/50/19/859695019.db2.gz MSHJDUKBSZHQPE-LJQANCHMSA-N 1 3 350.507 0.731 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822601 860272437 /nfs/dbraw/zinc/27/24/37/860272437.db2.gz ZXPZISCNDAXOGL-APWZRJJASA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822601 860272445 /nfs/dbraw/zinc/27/24/45/860272445.db2.gz ZXPZISCNDAXOGL-APWZRJJASA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001272834658 860276096 /nfs/dbraw/zinc/27/60/96/860276096.db2.gz YZTWAHFIKAYSHR-IBGZPJMESA-N 1 3 350.507 0.875 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001273790043 860600702 /nfs/dbraw/zinc/60/07/02/860600702.db2.gz VOLJVOQIHJDXRA-MRXNPFEDSA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CC)CC(=O)NC12CC(C(=O)N3CCC([NH+](C)C)CC3)(C1)C2 ZINC001273790346 860600786 /nfs/dbraw/zinc/60/07/86/860600786.db2.gz YMXCBUGTYBGDBO-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](C)CN1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068469 860926966 /nfs/dbraw/zinc/92/69/66/860926966.db2.gz HPFQTNICNNRKSE-KRWDZBQOSA-N 1 3 352.523 0.583 20 0 FCADHO CSCCCN1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275104162 860934781 /nfs/dbraw/zinc/93/47/81/860934781.db2.gz UDHQLRHERZVXNJ-UHFFFAOYSA-N 1 3 370.563 0.290 20 0 FCADHO CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001279914646 863134275 /nfs/dbraw/zinc/13/42/75/863134275.db2.gz SISSACOHHVZBKN-JLVBRIDZSA-N 1 3 350.507 0.585 20 0 FCADHO CCOC(C)(C)CN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280101065 863265208 /nfs/dbraw/zinc/26/52/08/863265208.db2.gz PUZWTEFWGMVBBU-LSDHHAIUSA-N 1 3 352.479 0.699 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2COCCC23CN(C[C@H]2CCCO2)C3)CC1 ZINC001280191051 863320503 /nfs/dbraw/zinc/32/05/03/863320503.db2.gz CELQMWOOTKQOPJ-IAGOWNOFSA-N 1 3 351.491 0.714 20 0 FCADHO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001312995290 867223561 /nfs/dbraw/zinc/22/35/61/867223561.db2.gz USRZNOYVDZIFDH-RRFJBIMHSA-N 1 3 358.483 0.136 20 0 FCADHO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001312995290 867223579 /nfs/dbraw/zinc/22/35/79/867223579.db2.gz USRZNOYVDZIFDH-RRFJBIMHSA-N 1 3 358.483 0.136 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001325346093 869858926 /nfs/dbraw/zinc/85/89/26/869858926.db2.gz LNJSGQUMRKVBSW-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC001325963739 870116063 /nfs/dbraw/zinc/11/60/63/870116063.db2.gz DXFNBSRTPMMZFT-HNNXBMFYSA-N 1 3 356.511 0.260 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001346696767 871962521 /nfs/dbraw/zinc/96/25/21/871962521.db2.gz UYPKVDAYROPFRB-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001346696767 871962526 /nfs/dbraw/zinc/96/25/26/871962526.db2.gz UYPKVDAYROPFRB-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO COCCN1[C@H](C)CN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC001346996252 872108496 /nfs/dbraw/zinc/10/84/96/872108496.db2.gz GPLRILOAWZIIPN-YESZJQIVSA-N 1 3 355.527 0.373 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119786 872967518 /nfs/dbraw/zinc/96/75/18/872967518.db2.gz PXTJMZKWAJSQCG-BPKGMFCQSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001575090271 951759445 /nfs/dbraw/zinc/75/94/45/951759445.db2.gz KFTONEMJBZFOCV-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104842 951888452 /nfs/dbraw/zinc/88/84/52/951888452.db2.gz FFTALRZZOAPBCE-CQSZACIVSA-N 1 3 369.473 0.804 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104842 951888454 /nfs/dbraw/zinc/88/84/54/951888454.db2.gz FFTALRZZOAPBCE-CQSZACIVSA-N 1 3 369.473 0.804 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571105293 952393395 /nfs/dbraw/zinc/39/33/95/952393395.db2.gz MQPRWESWYBGUEV-UONOGXRCSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571105293 952393404 /nfs/dbraw/zinc/39/34/04/952393404.db2.gz MQPRWESWYBGUEV-UONOGXRCSA-N 1 3 373.436 0.648 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)C[NH+](C)C ZINC000293311679 214164183 /nfs/dbraw/zinc/16/41/83/214164183.db2.gz XGDISLKBNZAZOZ-CQSZACIVSA-N 1 3 350.463 0.879 20 0 FCADHO COc1cc(CN(CCO)C[C@H](C)O)cc(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000293331787 214165421 /nfs/dbraw/zinc/16/54/21/214165421.db2.gz MQEBNCUWYAVBLU-HOTGVXAUSA-N 1 3 370.490 0.045 20 0 FCADHO COc1cc(CN(CCO)C[C@H](C)O)cc(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000293331787 214165422 /nfs/dbraw/zinc/16/54/22/214165422.db2.gz MQEBNCUWYAVBLU-HOTGVXAUSA-N 1 3 370.490 0.045 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)C1CC1 ZINC000265399928 210123219 /nfs/dbraw/zinc/12/32/19/210123219.db2.gz SRYSCRBNQYEFOC-UHFFFAOYSA-N 1 3 374.485 0.710 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)C1CC1 ZINC000265399928 210123220 /nfs/dbraw/zinc/12/32/20/210123220.db2.gz SRYSCRBNQYEFOC-UHFFFAOYSA-N 1 3 374.485 0.710 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000332028176 215079831 /nfs/dbraw/zinc/07/98/31/215079831.db2.gz XYPQNPFIEACXLU-BFYDXBDKSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000332128376 215098146 /nfs/dbraw/zinc/09/81/46/215098146.db2.gz HNFHLJHXWPEKOF-PMPSAXMXSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000332128376 215098150 /nfs/dbraw/zinc/09/81/50/215098150.db2.gz HNFHLJHXWPEKOF-PMPSAXMXSA-N 1 3 350.507 0.918 20 0 FCADHO COC(=O)[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000332161798 215103436 /nfs/dbraw/zinc/10/34/36/215103436.db2.gz QSJAGQSYBPVGSD-AWEZNQCLSA-N 1 3 352.479 0.750 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000332268029 215119076 /nfs/dbraw/zinc/11/90/76/215119076.db2.gz GAMVFWLADYKAHE-BFYDXBDKSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000332345566 215133686 /nfs/dbraw/zinc/13/36/86/215133686.db2.gz YCGXRHPOCYIJQK-XOYOTBSWSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000332345566 215133690 /nfs/dbraw/zinc/13/36/90/215133690.db2.gz YCGXRHPOCYIJQK-XOYOTBSWSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC000333707697 215310231 /nfs/dbraw/zinc/31/02/31/215310231.db2.gz RTGCOIXDXGSVMU-VYMRPNJYSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000333707697 215310238 /nfs/dbraw/zinc/31/02/38/215310238.db2.gz RTGCOIXDXGSVMU-VYMRPNJYSA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333864549 215325590 /nfs/dbraw/zinc/32/55/90/215325590.db2.gz SRRUOYHFUWRWLP-MAUKXSAKSA-N 1 3 351.495 0.324 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855636 215326520 /nfs/dbraw/zinc/32/65/20/215326520.db2.gz QVWONLPGBIOODP-IAGOWNOFSA-N 1 3 365.522 0.842 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333891216 215328400 /nfs/dbraw/zinc/32/84/00/215328400.db2.gz GYPSVWQWIMIKJC-QBPKDAKJSA-N 1 3 363.506 0.323 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)C1CC1 ZINC000285364062 213330587 /nfs/dbraw/zinc/33/05/87/213330587.db2.gz ZAYLUIRYKJJGGG-QGZVFWFLSA-N 1 3 360.502 0.876 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)C1CC1 ZINC000285364062 213330592 /nfs/dbraw/zinc/33/05/92/213330592.db2.gz ZAYLUIRYKJJGGG-QGZVFWFLSA-N 1 3 360.502 0.876 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182833 213093033 /nfs/dbraw/zinc/09/30/33/213093033.db2.gz RDFACZLULVNBLZ-KDOFPFPSSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284137839 213082568 /nfs/dbraw/zinc/08/25/68/213082568.db2.gz DMLDUAGETINGGO-SJORKVTESA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284137839 213082570 /nfs/dbraw/zinc/08/25/70/213082570.db2.gz DMLDUAGETINGGO-SJORKVTESA-N 1 3 362.474 0.913 20 0 FCADHO COC[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1COC ZINC000411911245 237100153 /nfs/dbraw/zinc/10/01/53/237100153.db2.gz NINZTOWVKVEDDS-MUGJNUQGSA-N 1 3 364.486 0.850 20 0 FCADHO COC[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411911245 237100158 /nfs/dbraw/zinc/10/01/58/237100158.db2.gz NINZTOWVKVEDDS-MUGJNUQGSA-N 1 3 364.486 0.850 20 0 FCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000367046316 216068495 /nfs/dbraw/zinc/06/84/95/216068495.db2.gz VTCNMVQBCCEPMA-GOSISDBHSA-N 1 3 350.507 0.480 20 0 FCADHO C[C@H]1CCCCN1CCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000367649656 216146140 /nfs/dbraw/zinc/14/61/40/216146140.db2.gz VWWWXASRMAZYEC-HNNXBMFYSA-N 1 3 359.536 0.924 20 0 FCADHO C[C@@H]1C[C@H](C)CN(CCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367654266 216147651 /nfs/dbraw/zinc/14/76/51/216147651.db2.gz URNGGSFULFSSLP-GASCZTMLSA-N 1 3 359.536 0.637 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000246513587 209388958 /nfs/dbraw/zinc/38/89/58/209388958.db2.gz UGXMUMKMDYIEEP-LSDHHAIUSA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000246513587 209388962 /nfs/dbraw/zinc/38/89/62/209388962.db2.gz UGXMUMKMDYIEEP-LSDHHAIUSA-N 1 3 362.478 0.326 20 0 FCADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCN1C1CCOCC1 ZINC000245706064 209375102 /nfs/dbraw/zinc/37/51/02/209375102.db2.gz OGGAXRPEBCKWHE-ZWKOTPCHSA-N 1 3 353.507 0.983 20 0 FCADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCCN1C1CCOCC1 ZINC000245706064 209375106 /nfs/dbraw/zinc/37/51/06/209375106.db2.gz OGGAXRPEBCKWHE-ZWKOTPCHSA-N 1 3 353.507 0.983 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CCN3CCCS3(=O)=O)CC2)CC1 ZINC000195204161 209332630 /nfs/dbraw/zinc/33/26/30/209332630.db2.gz OOUIDLKDKHAOMY-UHFFFAOYSA-N 1 3 372.535 0.087 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000194922206 209330329 /nfs/dbraw/zinc/33/03/29/209330329.db2.gz PGWMXZIFINFXNI-GASCZTMLSA-N 1 3 360.458 0.586 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000194922206 209330333 /nfs/dbraw/zinc/33/03/33/209330333.db2.gz PGWMXZIFINFXNI-GASCZTMLSA-N 1 3 360.458 0.586 20 0 FCADHO CN1CCCN(C(=O)CCSCCC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000368738373 216289511 /nfs/dbraw/zinc/28/95/11/216289511.db2.gz UFQQPSUGMKIPBW-UHFFFAOYSA-N 1 3 370.563 0.828 20 0 FCADHO CN1CCCN(C(=O)CCSCCC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000368738373 216289514 /nfs/dbraw/zinc/28/95/14/216289514.db2.gz UFQQPSUGMKIPBW-UHFFFAOYSA-N 1 3 370.563 0.828 20 0 FCADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000277538000 212371535 /nfs/dbraw/zinc/37/15/35/212371535.db2.gz LWQSYWYAUZSLLF-OKZBNKHCSA-N 1 3 373.501 0.165 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](OCCO)C3)CC2)CC1 ZINC000188176739 209226628 /nfs/dbraw/zinc/22/66/28/209226628.db2.gz IFHINOWWKXLAGU-GOSISDBHSA-N 1 3 368.522 0.728 20 0 FCADHO CCO[C@H]1C[C@](N)(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122918 209223561 /nfs/dbraw/zinc/22/35/61/209223561.db2.gz QJDILPBXNNZDFA-LPHOPBHVSA-N 1 3 354.539 0.909 20 0 FCADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760831 245321834 /nfs/dbraw/zinc/32/18/34/245321834.db2.gz RPAJBKLGKSYJMG-AQNXPRMDSA-N 1 3 372.513 0.769 20 0 FCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760831 245321837 /nfs/dbraw/zinc/32/18/37/245321837.db2.gz RPAJBKLGKSYJMG-AQNXPRMDSA-N 1 3 372.513 0.769 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415273751 245374524 /nfs/dbraw/zinc/37/45/24/245374524.db2.gz SNRLZTXYFOMHHM-QGZVFWFLSA-N 1 3 373.501 0.712 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000184063836 209157293 /nfs/dbraw/zinc/15/72/93/209157293.db2.gz DVTRVIDDFSDNAE-MRXNPFEDSA-N 1 3 363.506 0.778 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363234 217122414 /nfs/dbraw/zinc/12/24/14/217122414.db2.gz PNEGHVVICAFFJK-IRXDYDNUSA-N 1 3 350.507 0.587 20 0 FCADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000374917406 217190629 /nfs/dbraw/zinc/19/06/29/217190629.db2.gz UTTLJMDBAULPTD-QZTJIDSGSA-N 1 3 351.539 0.108 20 0 FCADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000374917406 217190633 /nfs/dbraw/zinc/19/06/33/217190633.db2.gz UTTLJMDBAULPTD-QZTJIDSGSA-N 1 3 351.539 0.108 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@@H+]1C ZINC000947069645 674125000 /nfs/dbraw/zinc/12/50/00/674125000.db2.gz ZQIDBPABXUKYRJ-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@H+]1C ZINC000947069645 674125002 /nfs/dbraw/zinc/12/50/02/674125002.db2.gz ZQIDBPABXUKYRJ-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889323 217331101 /nfs/dbraw/zinc/33/11/01/217331101.db2.gz JOQYAXVRNKVSCG-MOPGFXCFSA-N 1 3 365.566 0.639 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419154329 246019623 /nfs/dbraw/zinc/01/96/23/246019623.db2.gz RHCHIAATADTGKF-UONOGXRCSA-N 1 3 352.504 0.787 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000419135153 246009933 /nfs/dbraw/zinc/00/99/33/246009933.db2.gz KSKCWRLRLFLACX-ZJPYXAASSA-N 1 3 358.486 0.929 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419150154 246016473 /nfs/dbraw/zinc/01/64/73/246016473.db2.gz LXDNZMADTWTSFQ-FQEVSTJZSA-N 1 3 374.485 0.455 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419149185 246018291 /nfs/dbraw/zinc/01/82/91/246018291.db2.gz KRDVWVGOIPPHNL-CYBMUJFWSA-N 1 3 352.504 0.882 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419166132 246028550 /nfs/dbraw/zinc/02/85/50/246028550.db2.gz ONPAHIFOOLZWJD-QZTJIDSGSA-N 1 3 374.485 0.247 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419168066 246030788 /nfs/dbraw/zinc/03/07/88/246030788.db2.gz JYNQCAPYGONCDA-SOUVJXGZSA-N 1 3 354.495 0.452 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419168066 246030794 /nfs/dbraw/zinc/03/07/94/246030794.db2.gz JYNQCAPYGONCDA-SOUVJXGZSA-N 1 3 354.495 0.452 20 0 FCADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000419171219 246033655 /nfs/dbraw/zinc/03/36/55/246033655.db2.gz OLMXOAFXIHBTDP-GOSISDBHSA-N 1 3 358.486 0.489 20 0 FCADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000419171219 246033657 /nfs/dbraw/zinc/03/36/57/246033657.db2.gz OLMXOAFXIHBTDP-GOSISDBHSA-N 1 3 358.486 0.489 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419188381 246044217 /nfs/dbraw/zinc/04/42/17/246044217.db2.gz SNTOXTHQGNMAHT-HOTGVXAUSA-N 1 3 352.479 0.004 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419188381 246044223 /nfs/dbraw/zinc/04/42/23/246044223.db2.gz SNTOXTHQGNMAHT-HOTGVXAUSA-N 1 3 352.479 0.004 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000419191605 246044235 /nfs/dbraw/zinc/04/42/35/246044235.db2.gz OGKMQPKZAMWLOC-GOSISDBHSA-N 1 3 358.486 0.929 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419194823 246046259 /nfs/dbraw/zinc/04/62/59/246046259.db2.gz UFSRZWSBABXSDF-SFHVURJKSA-N 1 3 358.486 0.678 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419162021 246026239 /nfs/dbraw/zinc/02/62/39/246026239.db2.gz SVSDWCCQMNRFFG-KFWWJZLASA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231191 246067540 /nfs/dbraw/zinc/06/75/40/246067540.db2.gz RKBBFDHGVRXPQX-BPUTZDHNSA-N 1 3 366.506 0.596 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231191 246067546 /nfs/dbraw/zinc/06/75/46/246067546.db2.gz RKBBFDHGVRXPQX-BPUTZDHNSA-N 1 3 366.506 0.596 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310355 246094694 /nfs/dbraw/zinc/09/46/94/246094694.db2.gz QZBHVVNBNPSBKE-CJNGLKHVSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329486 246099315 /nfs/dbraw/zinc/09/93/15/246099315.db2.gz GJYVIBDYPFAKLL-RUGDWHBFSA-N 1 3 356.470 0.539 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373346 246122328 /nfs/dbraw/zinc/12/23/28/246122328.db2.gz MQJVOBJGWVJRIO-RHSMWYFYSA-N 1 3 358.486 0.445 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419371679 246122419 /nfs/dbraw/zinc/12/24/19/246122419.db2.gz JJASVQJCQYLMHZ-YJBOKZPZSA-N 1 3 372.513 0.788 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000419381896 246126510 /nfs/dbraw/zinc/12/65/10/246126510.db2.gz YXVNGMOEDOALBJ-QRVBRYPASA-N 1 3 372.513 0.876 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419401979 246136998 /nfs/dbraw/zinc/13/69/98/246136998.db2.gz BRGDKTAZMPKQEA-OAHLLOKOSA-N 1 3 354.495 0.191 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419426256 246156856 /nfs/dbraw/zinc/15/68/56/246156856.db2.gz QOPNWFVQIWOJPJ-INIZCTEOSA-N 1 3 358.486 0.667 20 0 FCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419428525 246158855 /nfs/dbraw/zinc/15/88/55/246158855.db2.gz SZXQIGOYYBJERJ-FQEVSTJZSA-N 1 3 358.486 0.748 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000419428133 246159588 /nfs/dbraw/zinc/15/95/88/246159588.db2.gz SRKONXIKSZVIGI-IAGOWNOFSA-N 1 3 360.458 0.126 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419427613 246160046 /nfs/dbraw/zinc/16/00/46/246160046.db2.gz RYWDNNXYERXROL-INIZCTEOSA-N 1 3 358.486 0.619 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419523159 246190124 /nfs/dbraw/zinc/19/01/24/246190124.db2.gz AGCDWUXAFCZXQU-SJORKVTESA-N 1 3 362.474 0.372 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](CN)C1 ZINC000419480320 246177994 /nfs/dbraw/zinc/17/79/94/246177994.db2.gz NCVZKWCGMOHIFL-IXDOHACOSA-N 1 3 368.522 0.579 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@H](CN)C1 ZINC000419480320 246177998 /nfs/dbraw/zinc/17/79/98/246177998.db2.gz NCVZKWCGMOHIFL-IXDOHACOSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCSC1 ZINC000419576600 246208592 /nfs/dbraw/zinc/20/85/92/246208592.db2.gz CKZHIWYPHJFOKV-QGZVFWFLSA-N 1 3 354.520 0.142 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582083 246209819 /nfs/dbraw/zinc/20/98/19/246209819.db2.gz JXUUNWFVRONQHM-MAUKXSAKSA-N 1 3 368.547 0.531 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655130 246233701 /nfs/dbraw/zinc/23/37/01/246233701.db2.gz HFQZYCGBAAQWJK-NXHRZFHOSA-N 1 3 374.485 0.260 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655130 246233706 /nfs/dbraw/zinc/23/37/06/246233706.db2.gz HFQZYCGBAAQWJK-NXHRZFHOSA-N 1 3 374.485 0.260 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000419660921 246235294 /nfs/dbraw/zinc/23/52/94/246235294.db2.gz DDYJYWOVZZHGBY-RDJZCZTQSA-N 1 3 373.501 0.858 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCCN(C)C)cc2)C[C@H]1[NH3+] ZINC000419648139 246228930 /nfs/dbraw/zinc/22/89/30/246228930.db2.gz AZFKDLMOXWQRJM-RHSMWYFYSA-N 1 3 362.474 0.091 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650623 246230472 /nfs/dbraw/zinc/23/04/72/246230472.db2.gz OGHIYXJULDLNER-JCGIZDLHSA-N 1 3 356.470 0.540 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650623 246230477 /nfs/dbraw/zinc/23/04/77/246230477.db2.gz OGHIYXJULDLNER-JCGIZDLHSA-N 1 3 356.470 0.540 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000419665702 246237853 /nfs/dbraw/zinc/23/78/53/246237853.db2.gz URXVEGAHHAZJLA-JOCBIADPSA-N 1 3 358.486 0.961 20 0 FCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000419684815 246247973 /nfs/dbraw/zinc/24/79/73/246247973.db2.gz VTGOMQFEIAFCSM-INIZCTEOSA-N 1 3 350.507 0.956 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C1CCCC1 ZINC000419700818 246257981 /nfs/dbraw/zinc/25/79/81/246257981.db2.gz YFWODOWURMIVQM-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C1CCCC1 ZINC000419700818 246257985 /nfs/dbraw/zinc/25/79/85/246257985.db2.gz YFWODOWURMIVQM-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000419764450 246288438 /nfs/dbraw/zinc/28/84/38/246288438.db2.gz PKARZOPBDCOASJ-GOSISDBHSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C[NH+]1CCCC1 ZINC000419811184 246304001 /nfs/dbraw/zinc/30/40/01/246304001.db2.gz FVMJURIKXUHDLY-RYQLBKOJSA-N 1 3 358.486 0.788 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419731475 246273770 /nfs/dbraw/zinc/27/37/70/246273770.db2.gz LKFIGDWRUXXUAM-JKSUJKDBSA-N 1 3 350.438 0.537 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000419834969 246312715 /nfs/dbraw/zinc/31/27/15/246312715.db2.gz UPKRTULMHXGMSD-RDJZCZTQSA-N 1 3 367.538 0.010 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419877984 246346323 /nfs/dbraw/zinc/34/63/23/246346323.db2.gz RICOZKRVXYYEBE-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419882990 246347581 /nfs/dbraw/zinc/34/75/81/246347581.db2.gz CXEGUTUQTATEIR-FUHWJXTLSA-N 1 3 373.501 0.763 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000419908556 246363332 /nfs/dbraw/zinc/36/33/32/246363332.db2.gz YQGIGBCKGAQRFU-XHSDSOJGSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419958311 246389045 /nfs/dbraw/zinc/38/90/45/246389045.db2.gz QDZPXPPYMPSXJL-RBSFLKMASA-N 1 3 354.495 0.045 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419962954 246389545 /nfs/dbraw/zinc/38/95/45/246389545.db2.gz VOXFMNCCTJNDFU-QGZVFWFLSA-N 1 3 360.502 0.865 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423135083 246966749 /nfs/dbraw/zinc/96/67/49/246966749.db2.gz SLUUKRAGYMXIJZ-DLBZAZTESA-N 1 3 352.523 0.881 20 0 FCADHO C[NH2+]CCc1ccccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423368213 247012702 /nfs/dbraw/zinc/01/27/02/247012702.db2.gz DWOWRGFEBXCWMW-UHFFFAOYSA-N 1 3 358.486 0.829 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423379474 247016463 /nfs/dbraw/zinc/01/64/63/247016463.db2.gz XSDVTGXEWHESFH-CQSZACIVSA-N 1 3 352.504 0.706 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000423387074 247018684 /nfs/dbraw/zinc/01/86/84/247018684.db2.gz HLHBTGXSQHHSJU-YTQUADARSA-N 1 3 370.497 0.884 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423311156 247003359 /nfs/dbraw/zinc/00/33/59/247003359.db2.gz STQOMHJXFBSKDG-ZWKOTPCHSA-N 1 3 358.486 0.884 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC000423566860 247055830 /nfs/dbraw/zinc/05/58/30/247055830.db2.gz CJCKXLSVHNHXHC-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423583235 247061000 /nfs/dbraw/zinc/06/10/00/247061000.db2.gz BVNRUXDIISABCI-KRWDZBQOSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423583827 247063513 /nfs/dbraw/zinc/06/35/13/247063513.db2.gz BADHLBJNUNOHHZ-OAHLLOKOSA-N 1 3 368.503 0.215 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000423487424 247035766 /nfs/dbraw/zinc/03/57/66/247035766.db2.gz XEXKGHCTVXRBLM-INIZCTEOSA-N 1 3 362.474 0.535 20 0 FCADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CCCNCC1 ZINC000423600146 247070551 /nfs/dbraw/zinc/07/05/51/247070551.db2.gz AOKJTZZXJSPEAE-UHFFFAOYSA-N 1 3 373.501 0.968 20 0 FCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@@H]1CNCCO1 ZINC000423747787 247137706 /nfs/dbraw/zinc/13/77/06/247137706.db2.gz PZLYEEDWIHZODM-JKSUJKDBSA-N 1 3 355.479 0.631 20 0 FCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@@H]1CNCCO1 ZINC000423747787 247137709 /nfs/dbraw/zinc/13/77/09/247137709.db2.gz PZLYEEDWIHZODM-JKSUJKDBSA-N 1 3 355.479 0.631 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423788627 247142008 /nfs/dbraw/zinc/14/20/08/247142008.db2.gz YALSVJSUDFFOHM-NXHRZFHOSA-N 1 3 358.486 0.881 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423718113 247124437 /nfs/dbraw/zinc/12/44/37/247124437.db2.gz BXUNYEDGRIWERW-YESZJQIVSA-N 1 3 362.449 0.631 20 0 FCADHO C[C@@H]1CC2(CN1CC(=O)NCc1ccc(OCC(N)=O)cc1)CC[NH2+]CC2 ZINC000424291365 247195409 /nfs/dbraw/zinc/19/54/09/247195409.db2.gz NQZLBJTVFHKINC-OAHLLOKOSA-N 1 3 374.485 0.631 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424524378 247250819 /nfs/dbraw/zinc/25/08/19/247250819.db2.gz PRDDKNIIFSDNLH-GBESFXJTSA-N 1 3 370.497 0.835 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000424446037 247218443 /nfs/dbraw/zinc/21/84/43/247218443.db2.gz GTAYWZAPJHJHLS-KRWDZBQOSA-N 1 3 350.488 0.946 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000424466135 247229607 /nfs/dbraw/zinc/22/96/07/247229607.db2.gz KXKQBBJLACMIKZ-UHFFFAOYSA-N 1 3 361.490 0.488 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669677 247360700 /nfs/dbraw/zinc/36/07/00/247360700.db2.gz CPBVWOGTJMGUTQ-ARFHVFGLSA-N 1 3 351.495 0.309 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669677 247360704 /nfs/dbraw/zinc/36/07/04/247360704.db2.gz CPBVWOGTJMGUTQ-ARFHVFGLSA-N 1 3 351.495 0.309 20 0 FCADHO CC(C)N(CC[NH+](C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000440091665 248155375 /nfs/dbraw/zinc/15/53/75/248155375.db2.gz YIVDHWDMODZPOQ-MRXNPFEDSA-N 1 3 355.527 0.911 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443377471 248323332 /nfs/dbraw/zinc/32/33/32/248323332.db2.gz GLUGMCUWPMREPC-KRWDZBQOSA-N 1 3 354.539 0.922 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000443650876 248334613 /nfs/dbraw/zinc/33/46/13/248334613.db2.gz INFBPVWDLKJABQ-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179624 248349757 /nfs/dbraw/zinc/34/97/57/248349757.db2.gz ZTXZJCZAQHQQOK-IYOUNJFTSA-N 1 3 354.495 0.223 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179624 248349758 /nfs/dbraw/zinc/34/97/58/248349758.db2.gz ZTXZJCZAQHQQOK-IYOUNJFTSA-N 1 3 354.495 0.223 20 0 FCADHO C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000471655854 250114664 /nfs/dbraw/zinc/11/46/64/250114664.db2.gz YYVCRDNVLGRLSP-DLBZAZTESA-N 1 3 355.527 0.232 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000472759456 250179654 /nfs/dbraw/zinc/17/96/54/250179654.db2.gz ZXVPRUUITOVXFQ-RDJZCZTQSA-N 1 3 357.568 0.749 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000481132415 250316613 /nfs/dbraw/zinc/31/66/13/250316613.db2.gz FBKCUPFKJVQYGW-UGUYLWEFSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000481132415 250316619 /nfs/dbraw/zinc/31/66/19/250316619.db2.gz FBKCUPFKJVQYGW-UGUYLWEFSA-N 1 3 350.507 0.964 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000481772691 250357319 /nfs/dbraw/zinc/35/73/19/250357319.db2.gz BNMSLEXOYDAWBR-RDJZCZTQSA-N 1 3 358.552 0.816 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCSC1 ZINC000481784467 250359228 /nfs/dbraw/zinc/35/92/28/250359228.db2.gz SWOUJPYVORTXBE-KRWDZBQOSA-N 1 3 358.552 0.912 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCSC1 ZINC000481784467 250359232 /nfs/dbraw/zinc/35/92/32/250359232.db2.gz SWOUJPYVORTXBE-KRWDZBQOSA-N 1 3 358.552 0.912 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000481804349 250361660 /nfs/dbraw/zinc/36/16/60/250361660.db2.gz DYGWZEYIVWARJT-AESZEHBQSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000481804349 250361661 /nfs/dbraw/zinc/36/16/61/250361661.db2.gz DYGWZEYIVWARJT-AESZEHBQSA-N 1 3 350.507 0.822 20 0 FCADHO COCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089896000 208122948 /nfs/dbraw/zinc/12/29/48/208122948.db2.gz RJPKYIJSOJVRDG-ROUUACIJSA-N 1 3 364.490 0.499 20 0 FCADHO COCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089896000 208122953 /nfs/dbraw/zinc/12/29/53/208122953.db2.gz RJPKYIJSOJVRDG-ROUUACIJSA-N 1 3 364.490 0.499 20 0 FCADHO CC(C)[C@@H]1C(=O)NCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114949605 208320388 /nfs/dbraw/zinc/32/03/88/208320388.db2.gz FFGROUJFENWWRY-QGZVFWFLSA-N 1 3 365.522 0.711 20 0 FCADHO CS[C@H](CO)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119871406 208369576 /nfs/dbraw/zinc/36/95/76/208369576.db2.gz XWZXDJHRLRMANV-XJKSGUPXSA-N 1 3 358.552 0.957 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000176603848 209006769 /nfs/dbraw/zinc/00/67/69/209006769.db2.gz HRIYTTBCXFGFLZ-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180001398 209088153 /nfs/dbraw/zinc/08/81/53/209088153.db2.gz JGHQXSJAOFWZHR-UHFFFAOYSA-N 1 3 361.490 0.833 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410431766 230077466 /nfs/dbraw/zinc/07/74/66/230077466.db2.gz IIKASQSMTVOEHM-QGZVFWFLSA-N 1 3 368.522 0.500 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000410996748 230343301 /nfs/dbraw/zinc/34/33/01/230343301.db2.gz MEYYBGFBSRLEGO-GOSISDBHSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000410996748 230343307 /nfs/dbraw/zinc/34/33/07/230343307.db2.gz MEYYBGFBSRLEGO-GOSISDBHSA-N 1 3 350.507 0.873 20 0 FCADHO CO[C@H](C[NH3+])CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000278298359 488866239 /nfs/dbraw/zinc/86/62/39/488866239.db2.gz RRPLMSOBGMMKLC-INIZCTEOSA-N 1 3 364.490 0.639 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1=O ZINC000364192838 488933376 /nfs/dbraw/zinc/93/33/76/488933376.db2.gz MEDYKQFZJHDMQT-HYVNUMGLSA-N 1 3 362.449 0.489 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152711 488388250 /nfs/dbraw/zinc/38/82/50/488388250.db2.gz LNMWDXPJOOXREK-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152711 488388253 /nfs/dbraw/zinc/38/82/53/488388253.db2.gz LNMWDXPJOOXREK-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000074495310 488392214 /nfs/dbraw/zinc/39/22/14/488392214.db2.gz HXHFFKROPDHLJG-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000074495310 488392215 /nfs/dbraw/zinc/39/22/15/488392215.db2.gz HXHFFKROPDHLJG-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000074495315 488392442 /nfs/dbraw/zinc/39/24/42/488392442.db2.gz HXHFFKROPDHLJG-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000074495315 488392445 /nfs/dbraw/zinc/39/24/45/488392445.db2.gz HXHFFKROPDHLJG-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490745 488392564 /nfs/dbraw/zinc/39/25/64/488392564.db2.gz GLUZUHBOPQPRFW-ZDUSSCGKSA-N 1 3 354.524 0.997 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490745 488392566 /nfs/dbraw/zinc/39/25/66/488392566.db2.gz GLUZUHBOPQPRFW-ZDUSSCGKSA-N 1 3 354.524 0.997 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554342754 491196775 /nfs/dbraw/zinc/19/67/75/491196775.db2.gz DHRXFXLXBOXPDW-NVXWUHKLSA-N 1 3 368.522 0.591 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000554342754 491196776 /nfs/dbraw/zinc/19/67/76/491196776.db2.gz DHRXFXLXBOXPDW-NVXWUHKLSA-N 1 3 368.522 0.591 20 0 FCADHO CN1CCC(O)(CNC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000077800243 488418251 /nfs/dbraw/zinc/41/82/51/488418251.db2.gz WXVDUDYZTACTFJ-UHFFFAOYSA-N 1 3 364.490 0.883 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000077827036 488418880 /nfs/dbraw/zinc/41/88/80/488418880.db2.gz VVBMNYKIYNGLIU-LBPRGKRZSA-N 1 3 367.416 0.284 20 0 FCADHO COCC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000195140076 488435581 /nfs/dbraw/zinc/43/55/81/488435581.db2.gz UTFYJRBVMWDJQN-GOSISDBHSA-N 1 3 369.554 0.668 20 0 FCADHO C[C@H](NCCOCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268727137 488445421 /nfs/dbraw/zinc/44/54/21/488445421.db2.gz MPWKBQFOHBQIHO-HNNXBMFYSA-N 1 3 373.519 0.576 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000246342022 488471943 /nfs/dbraw/zinc/47/19/43/488471943.db2.gz OVWUNKLGBUVSPI-ROUUACIJSA-N 1 3 369.554 0.526 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000269301737 488489257 /nfs/dbraw/zinc/48/92/57/488489257.db2.gz QSZCDAMFVDRRHA-LJQANCHMSA-N 1 3 360.502 0.819 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)Nc3cccnc3)CC2)CC1 ZINC000102039563 488496733 /nfs/dbraw/zinc/49/67/33/488496733.db2.gz WKPULINWHZKCIZ-UHFFFAOYSA-N 1 3 374.489 0.878 20 0 FCADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1NS(C)(=O)=O ZINC000103210763 488499981 /nfs/dbraw/zinc/49/99/81/488499981.db2.gz DZNTUBIOLJEPLY-UHFFFAOYSA-N 1 3 370.519 0.932 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1c2ccccc2OCC1=O ZINC000103211409 488500010 /nfs/dbraw/zinc/50/00/10/488500010.db2.gz RPHGXHXJNUWDFX-UHFFFAOYSA-N 1 3 362.474 0.754 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103314385 488500909 /nfs/dbraw/zinc/50/09/09/488500909.db2.gz JLUJGWAAMNKENG-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103314385 488500910 /nfs/dbraw/zinc/50/09/10/488500910.db2.gz JLUJGWAAMNKENG-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CN(C)[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922265 491203335 /nfs/dbraw/zinc/20/33/35/491203335.db2.gz FMAIJCMRMYIFDP-DLBZAZTESA-N 1 3 356.474 0.933 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000249139075 488506874 /nfs/dbraw/zinc/50/68/74/488506874.db2.gz FGTXGLRAQXSGJF-LSDHHAIUSA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000249139075 488506875 /nfs/dbraw/zinc/50/68/75/488506875.db2.gz FGTXGLRAQXSGJF-LSDHHAIUSA-N 1 3 362.478 0.326 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCCN1CCOCC1 ZINC000105070268 488507328 /nfs/dbraw/zinc/50/73/28/488507328.db2.gz MLEUNJSKZJSROY-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105318909 488508859 /nfs/dbraw/zinc/50/88/59/488508859.db2.gz XNUOQZLWPSTBML-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105318909 488508861 /nfs/dbraw/zinc/50/88/61/488508861.db2.gz XNUOQZLWPSTBML-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262076662 488549407 /nfs/dbraw/zinc/54/94/07/488549407.db2.gz PYWXFUPXQCYDHM-FQEVSTJZSA-N 1 3 371.529 0.948 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000271837848 488549486 /nfs/dbraw/zinc/54/94/86/488549486.db2.gz YBYJBEYKXYRTBS-CYBMUJFWSA-N 1 3 350.467 0.545 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262119288 488552018 /nfs/dbraw/zinc/55/20/18/488552018.db2.gz FVBUPDFBUUAEIG-UHFFFAOYSA-N 1 3 363.506 0.967 20 0 FCADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000119633753 488558268 /nfs/dbraw/zinc/55/82/68/488558268.db2.gz IFEMCRCBYUUCRB-SJORKVTESA-N 1 3 356.511 0.632 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000262274169 488560879 /nfs/dbraw/zinc/56/08/79/488560879.db2.gz YRGTUPPUHFRWSK-CALCHBBNSA-N 1 3 352.523 0.630 20 0 FCADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000262428445 488569787 /nfs/dbraw/zinc/56/97/87/488569787.db2.gz BJJVCFYRCIOUDG-RTBURBONSA-N 1 3 360.502 0.736 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122072180 488574948 /nfs/dbraw/zinc/57/49/48/488574948.db2.gz KJSHCWFLZPMKHG-BZSNNMDCSA-N 1 3 358.486 0.663 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262637594 488583767 /nfs/dbraw/zinc/58/37/67/488583767.db2.gz QFZUWASOWOVTJW-BRWVUGGUSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806804 488594524 /nfs/dbraw/zinc/59/45/24/488594524.db2.gz PUMPQXRDAKUKIF-IRXDYDNUSA-N 1 3 362.522 0.811 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CN1C1CC1 ZINC000124924317 488596679 /nfs/dbraw/zinc/59/66/79/488596679.db2.gz GSEVVJJFERWREZ-ILXRZTDVSA-N 1 3 351.495 0.498 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CN1C1CC1 ZINC000124924317 488596681 /nfs/dbraw/zinc/59/66/81/488596681.db2.gz GSEVVJJFERWREZ-ILXRZTDVSA-N 1 3 351.495 0.498 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316730 488616125 /nfs/dbraw/zinc/61/61/25/488616125.db2.gz VCQKKAVBDYZQEO-JKSUJKDBSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316730 488616127 /nfs/dbraw/zinc/61/61/27/488616127.db2.gz VCQKKAVBDYZQEO-JKSUJKDBSA-N 1 3 363.506 0.561 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000554616396 491213214 /nfs/dbraw/zinc/21/32/14/491213214.db2.gz GQEJYNSRPJMCCF-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000554616396 491213217 /nfs/dbraw/zinc/21/32/17/491213217.db2.gz GQEJYNSRPJMCCF-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000133606772 488661006 /nfs/dbraw/zinc/66/10/06/488661006.db2.gz SYCFFRLGYWIUNO-UHFFFAOYSA-N 1 3 364.494 0.621 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000136827688 488678845 /nfs/dbraw/zinc/67/88/45/488678845.db2.gz ZLLNHCKKAVDSSH-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000136827688 488678848 /nfs/dbraw/zinc/67/88/48/488678848.db2.gz ZLLNHCKKAVDSSH-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000136814182 488678967 /nfs/dbraw/zinc/67/89/67/488678967.db2.gz CREOUGUWXQBFIM-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000136958643 488679749 /nfs/dbraw/zinc/67/97/49/488679749.db2.gz UGGSQASDEFATKS-DOTOQJQBSA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000136958643 488679751 /nfs/dbraw/zinc/67/97/51/488679751.db2.gz UGGSQASDEFATKS-DOTOQJQBSA-N 1 3 363.506 0.419 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154063188 488738003 /nfs/dbraw/zinc/73/80/03/488738003.db2.gz SHZHRLIYLZQQEM-AWEZNQCLSA-N 1 3 350.467 0.183 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154063188 488738004 /nfs/dbraw/zinc/73/80/04/488738004.db2.gz SHZHRLIYLZQQEM-AWEZNQCLSA-N 1 3 350.467 0.183 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000155231050 488752949 /nfs/dbraw/zinc/75/29/49/488752949.db2.gz UGXMUMKMDYIEEP-CABCVRRESA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000155231050 488752951 /nfs/dbraw/zinc/75/29/51/488752951.db2.gz UGXMUMKMDYIEEP-CABCVRRESA-N 1 3 362.478 0.326 20 0 FCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000168950979 488812783 /nfs/dbraw/zinc/81/27/83/488812783.db2.gz MXYCJHDAKRBYID-KRWDZBQOSA-N 1 3 373.505 0.703 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172292973 488832268 /nfs/dbraw/zinc/83/22/68/488832268.db2.gz XTSDHUFDUHZVTD-OAHLLOKOSA-N 1 3 362.474 0.976 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1 ZINC000173237041 488841801 /nfs/dbraw/zinc/84/18/01/488841801.db2.gz MQYMGNFJGUWOQS-UHFFFAOYSA-N 1 3 364.494 0.620 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@]3(O)CCSC3)CC2)CC1 ZINC000176289466 488858250 /nfs/dbraw/zinc/85/82/50/488858250.db2.gz ZTUBCSXBMQVEPL-QGZVFWFLSA-N 1 3 356.536 0.712 20 0 FCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000178648917 488860361 /nfs/dbraw/zinc/86/03/61/488860361.db2.gz AMERXVAPXHQJHH-INIZCTEOSA-N 1 3 353.463 0.547 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000178472806 488860569 /nfs/dbraw/zinc/86/05/69/488860569.db2.gz ISLRIKXHAIDRKX-QGZVFWFLSA-N 1 3 352.523 0.630 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211190 491227878 /nfs/dbraw/zinc/22/78/78/491227878.db2.gz OLKMZUVRMBBSGI-GPMSIDNRSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCN(CCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365324766 489064212 /nfs/dbraw/zinc/06/42/12/489064212.db2.gz GJMITPFUKCCGOZ-GOSISDBHSA-N 1 3 351.539 0.252 20 0 FCADHO CCN1CCN(CCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365324766 489064215 /nfs/dbraw/zinc/06/42/15/489064215.db2.gz GJMITPFUKCCGOZ-GOSISDBHSA-N 1 3 351.539 0.252 20 0 FCADHO CN1CCC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000570294902 491231412 /nfs/dbraw/zinc/23/14/12/491231412.db2.gz XHUKAWUNKXHERU-VNHYZAJKSA-N 1 3 350.488 0.725 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000289953415 489105089 /nfs/dbraw/zinc/10/50/89/489105089.db2.gz PGZIWTUMLPLQOL-INIZCTEOSA-N 1 3 351.447 0.566 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365939834 489128119 /nfs/dbraw/zinc/12/81/19/489128119.db2.gz DGTGKWYBRDSESL-UHFFFAOYSA-N 1 3 364.494 0.936 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365939834 489128122 /nfs/dbraw/zinc/12/81/22/489128122.db2.gz DGTGKWYBRDSESL-UHFFFAOYSA-N 1 3 364.494 0.936 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331386333 489204999 /nfs/dbraw/zinc/20/49/99/489204999.db2.gz IAFQLQAPBZAQHA-PMPSAXMXSA-N 1 3 350.507 0.681 20 0 FCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000369469125 489241744 /nfs/dbraw/zinc/24/17/44/489241744.db2.gz QTOFOIAKIJAJSY-QZTJIDSGSA-N 1 3 374.485 0.709 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369484284 489244120 /nfs/dbraw/zinc/24/41/20/489244120.db2.gz XRZHPJOPEZIHHA-HNNXBMFYSA-N 1 3 362.478 0.641 20 0 FCADHO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)NCCN(C)C ZINC000563402572 491242610 /nfs/dbraw/zinc/24/26/10/491242610.db2.gz BBUBLCWWWBFEKG-UKRRQHHQSA-N 1 3 356.536 0.386 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000369881668 489286571 /nfs/dbraw/zinc/28/65/71/489286571.db2.gz HTGHBFHKRKXHHO-HOTGVXAUSA-N 1 3 366.506 0.014 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000283716690 489294987 /nfs/dbraw/zinc/29/49/87/489294987.db2.gz KHLXVJQDWIHEIQ-UHFFFAOYSA-N 1 3 352.479 0.936 20 0 FCADHO CN1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000370250160 489334826 /nfs/dbraw/zinc/33/48/26/489334826.db2.gz GUDYMENPMUXPTB-KRWDZBQOSA-N 1 3 352.523 0.772 20 0 FCADHO CN1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000370250160 489334829 /nfs/dbraw/zinc/33/48/29/489334829.db2.gz GUDYMENPMUXPTB-KRWDZBQOSA-N 1 3 352.523 0.772 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370727240 489393265 /nfs/dbraw/zinc/39/32/65/489393265.db2.gz UYGAOOYKLZPFQE-GVDBMIGSSA-N 1 3 363.506 0.561 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370727240 489393267 /nfs/dbraw/zinc/39/32/67/489393267.db2.gz UYGAOOYKLZPFQE-GVDBMIGSSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000370735794 489394739 /nfs/dbraw/zinc/39/47/39/489394739.db2.gz ZQSDLFIIGYBBPL-OIISXLGYSA-N 1 3 363.506 0.417 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000370735794 489394740 /nfs/dbraw/zinc/39/47/40/489394740.db2.gz ZQSDLFIIGYBBPL-OIISXLGYSA-N 1 3 363.506 0.417 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000286803522 489431447 /nfs/dbraw/zinc/43/14/47/489431447.db2.gz WQWZGLZVBLBZEE-UHFFFAOYSA-N 1 3 364.490 0.653 20 0 FCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000563617444 491258790 /nfs/dbraw/zinc/25/87/90/491258790.db2.gz DRRPTNAXOUCQED-XWSJACJDSA-N 1 3 356.555 0.320 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@]3(F)CCNC3)c2)C1 ZINC000371271464 489472488 /nfs/dbraw/zinc/47/24/88/489472488.db2.gz RATUODGLXANQPZ-VQIMIIECSA-N 1 3 362.449 0.702 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@]3(F)CCNC3)c2)C1 ZINC000371271464 489472491 /nfs/dbraw/zinc/47/24/91/489472491.db2.gz RATUODGLXANQPZ-VQIMIIECSA-N 1 3 362.449 0.702 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000423094077 489492472 /nfs/dbraw/zinc/49/24/72/489492472.db2.gz JGKFAQNKDFRBIN-PBHICJAKSA-N 1 3 364.465 0.912 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000423094080 489492924 /nfs/dbraw/zinc/49/29/24/489492924.db2.gz JGKFAQNKDFRBIN-YOEHRIQHSA-N 1 3 364.465 0.912 20 0 FCADHO COC(=O)c1cn(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097068 489492953 /nfs/dbraw/zinc/49/29/53/489492953.db2.gz AEVFUAYGVUFGFS-KBXCAEBGSA-N 1 3 357.414 0.910 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676695 491257113 /nfs/dbraw/zinc/25/71/13/491257113.db2.gz UZLVNDBRAIXCKZ-SFNKJDCFSA-N 1 3 355.523 0.547 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676695 491257116 /nfs/dbraw/zinc/25/71/16/491257116.db2.gz UZLVNDBRAIXCKZ-SFNKJDCFSA-N 1 3 355.523 0.547 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423135085 489496190 /nfs/dbraw/zinc/49/61/90/489496190.db2.gz SLUUKRAGYMXIJZ-IRXDYDNUSA-N 1 3 352.523 0.881 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423158507 489497981 /nfs/dbraw/zinc/49/79/81/489497981.db2.gz CXPUYIYVLFVMFS-QZTJIDSGSA-N 1 3 373.501 0.844 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423162991 489498274 /nfs/dbraw/zinc/49/82/74/489498274.db2.gz LZXRPDOBPXPPDD-IRXDYDNUSA-N 1 3 359.474 0.454 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423166998 489498900 /nfs/dbraw/zinc/49/89/00/489498900.db2.gz RRZFEEKMPCYIDR-GOSISDBHSA-N 1 3 373.501 0.844 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423169485 489498964 /nfs/dbraw/zinc/49/89/64/489498964.db2.gz WAFZFZYMSKTBJV-GDBMZVCRSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423165942 489499139 /nfs/dbraw/zinc/49/91/39/489499139.db2.gz BVVZATPXYMGARM-OAHLLOKOSA-N 1 3 350.463 0.546 20 0 FCADHO COC(=O)c1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c[nH]1 ZINC000414490394 489500466 /nfs/dbraw/zinc/50/04/66/489500466.db2.gz XFVLBZLLPYIEFS-UHFFFAOYSA-N 1 3 350.463 0.688 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423194443 489501453 /nfs/dbraw/zinc/50/14/53/489501453.db2.gz RLVSDKZKLPIONG-KRWDZBQOSA-N 1 3 368.522 0.533 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423204233 489501893 /nfs/dbraw/zinc/50/18/93/489501893.db2.gz DFDUXOBYHBDHQP-NXOAAHMSSA-N 1 3 366.506 0.141 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000423199417 489502105 /nfs/dbraw/zinc/50/21/05/489502105.db2.gz BKEOJJRZHBEFGJ-PBHICJAKSA-N 1 3 364.465 0.912 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423199401 489502248 /nfs/dbraw/zinc/50/22/48/489502248.db2.gz BHSVJJWPTFNNPO-OAHLLOKOSA-N 1 3 368.428 0.805 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423206618 489502698 /nfs/dbraw/zinc/50/26/98/489502698.db2.gz QQSABFJXHYIFNJ-UHFFFAOYSA-N 1 3 364.465 0.913 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423207125 489502721 /nfs/dbraw/zinc/50/27/21/489502721.db2.gz RBXPAQATIOHNHO-HOTGVXAUSA-N 1 3 368.522 0.402 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423262179 489508500 /nfs/dbraw/zinc/50/85/00/489508500.db2.gz LXXGFKAIEXGVHQ-MRXNPFEDSA-N 1 3 354.495 0.014 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000415371122 489515901 /nfs/dbraw/zinc/51/59/01/489515901.db2.gz RQTOZLHHXGHAQE-UHFFFAOYSA-N 1 3 361.490 0.488 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000415431657 489520576 /nfs/dbraw/zinc/52/05/76/489520576.db2.gz DTXRPZKPXLODOI-CQSZACIVSA-N 1 3 350.463 0.973 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c(C)c2)CC1 ZINC000415508811 489525587 /nfs/dbraw/zinc/52/55/87/489525587.db2.gz GEWFASXWOYXPDC-CQSZACIVSA-N 1 3 361.490 0.786 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCO1 ZINC000415595519 489533986 /nfs/dbraw/zinc/53/39/86/489533986.db2.gz HIQCUTDILCLPPH-KRWDZBQOSA-N 1 3 360.458 0.797 20 0 FCADHO COC[C@]1(CNC(=O)C(=O)Nc2ccccc2CCN(C)C)CCC[NH2+]1 ZINC000415703415 489542873 /nfs/dbraw/zinc/54/28/73/489542873.db2.gz FWCYSMSSOBQGDK-LJQANCHMSA-N 1 3 362.474 0.614 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415753681 489550045 /nfs/dbraw/zinc/55/00/45/489550045.db2.gz YYCZWZMGIXQBNY-GJZGRUSLSA-N 1 3 360.458 0.633 20 0 FCADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000415828917 489556490 /nfs/dbraw/zinc/55/64/90/489556490.db2.gz GNTOGBDVOHOHBB-QGZVFWFLSA-N 1 3 362.474 0.962 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000563702730 491264236 /nfs/dbraw/zinc/26/42/36/491264236.db2.gz LMJMYCGTFDLKGA-CVEARBPZSA-N 1 3 350.507 0.990 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000563702730 491264237 /nfs/dbraw/zinc/26/42/37/491264237.db2.gz LMJMYCGTFDLKGA-CVEARBPZSA-N 1 3 350.507 0.990 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000372458766 489586300 /nfs/dbraw/zinc/58/63/00/489586300.db2.gz UOLZATXLJFOASV-IBGZPJMESA-N 1 3 366.550 0.973 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000372458766 489586303 /nfs/dbraw/zinc/58/63/03/489586303.db2.gz UOLZATXLJFOASV-IBGZPJMESA-N 1 3 366.550 0.973 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128035 489595810 /nfs/dbraw/zinc/59/58/10/489595810.db2.gz JFEYXALUJKYFTF-HZPDHXFCSA-N 1 3 374.489 0.831 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128035 489595812 /nfs/dbraw/zinc/59/58/12/489595812.db2.gz JFEYXALUJKYFTF-HZPDHXFCSA-N 1 3 374.489 0.831 20 0 FCADHO CCN1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416860705 489631783 /nfs/dbraw/zinc/63/17/83/489631783.db2.gz VYDBGYHZHBKQHE-ZDUSSCGKSA-N 1 3 351.417 0.606 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1=CC[NH2+]CC1 ZINC000417399818 489651088 /nfs/dbraw/zinc/65/10/88/489651088.db2.gz ZZOGIZPKBYWIDS-UHFFFAOYSA-N 1 3 358.490 0.813 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417431058 489652340 /nfs/dbraw/zinc/65/23/40/489652340.db2.gz QKHCNZLOJLURAO-HZPDHXFCSA-N 1 3 355.527 0.944 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417429600 489652494 /nfs/dbraw/zinc/65/24/94/489652494.db2.gz NJIZZOTVJLXCSJ-INIZCTEOSA-N 1 3 351.495 0.538 20 0 FCADHO CCN(CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000417429856 489652616 /nfs/dbraw/zinc/65/26/16/489652616.db2.gz OCFXUZWOTJTOEJ-WBVHZDCISA-N 1 3 351.495 0.417 20 0 FCADHO CC[N@@H+]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000428690195 489660824 /nfs/dbraw/zinc/66/08/24/489660824.db2.gz JQYWNYRRQDOGCC-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CC[N@H+]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000428690195 489660826 /nfs/dbraw/zinc/66/08/26/489660826.db2.gz JQYWNYRRQDOGCC-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CC(C)N1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000428839295 489666044 /nfs/dbraw/zinc/66/60/44/489666044.db2.gz JFSPNZYHVLNYLO-MRXNPFEDSA-N 1 3 365.522 0.854 20 0 FCADHO O=C(CNC[C@@H]1CCCO1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417839220 489667909 /nfs/dbraw/zinc/66/79/09/489667909.db2.gz NMOCZETXVBUBPZ-INIZCTEOSA-N 1 3 362.474 0.678 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000373120903 489670343 /nfs/dbraw/zinc/67/03/43/489670343.db2.gz HYPLRQFDMBSERY-BZSNNMDCSA-N 1 3 351.539 0.994 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000373120903 489670346 /nfs/dbraw/zinc/67/03/46/489670346.db2.gz HYPLRQFDMBSERY-BZSNNMDCSA-N 1 3 351.539 0.994 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000373120909 489670785 /nfs/dbraw/zinc/67/07/85/489670785.db2.gz HYPLRQFDMBSERY-SQNIBIBYSA-N 1 3 351.539 0.994 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)N1CCN(C)CC1 ZINC000373120909 489670788 /nfs/dbraw/zinc/67/07/88/489670788.db2.gz HYPLRQFDMBSERY-SQNIBIBYSA-N 1 3 351.539 0.994 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000458236021 489674564 /nfs/dbraw/zinc/67/45/64/489674564.db2.gz KBRXAYDDDMYZBR-QGZVFWFLSA-N 1 3 356.511 0.633 20 0 FCADHO O=C(NC[C@H]1CCCN1CCCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458326751 489677051 /nfs/dbraw/zinc/67/70/51/489677051.db2.gz BGPBFZKPGHFPBW-QGZVFWFLSA-N 1 3 368.522 0.777 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448337 489684162 /nfs/dbraw/zinc/68/41/62/489684162.db2.gz XTYFKDQGVSEHDB-VQIMIIECSA-N 1 3 365.522 0.701 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448337 489684164 /nfs/dbraw/zinc/68/41/64/489684164.db2.gz XTYFKDQGVSEHDB-VQIMIIECSA-N 1 3 365.522 0.701 20 0 FCADHO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCCC1 ZINC000418372246 489694301 /nfs/dbraw/zinc/69/43/01/489694301.db2.gz YKTRTJJWSGSGDP-KRWDZBQOSA-N 1 3 365.522 0.844 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418565772 489708039 /nfs/dbraw/zinc/70/80/39/489708039.db2.gz LXNAIDXAGIQPKQ-DLBZAZTESA-N 1 3 360.506 0.972 20 0 FCADHO CN(CCN1CCCC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418610844 489710583 /nfs/dbraw/zinc/71/05/83/489710583.db2.gz HBUCYHGTHUZMHJ-CYBMUJFWSA-N 1 3 351.417 0.560 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125996 489719544 /nfs/dbraw/zinc/71/95/44/489719544.db2.gz YKUBDBCJQHIPSX-ARFHVFGLSA-N 1 3 353.511 0.698 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125996 489719547 /nfs/dbraw/zinc/71/95/47/489719547.db2.gz YKUBDBCJQHIPSX-ARFHVFGLSA-N 1 3 353.511 0.698 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000418819684 489737165 /nfs/dbraw/zinc/73/71/65/489737165.db2.gz KDTVOJPPXZMGNT-GJZGRUSLSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459539819 489738240 /nfs/dbraw/zinc/73/82/40/489738240.db2.gz QCVFLVQTUVAHGC-DOTOQJQBSA-N 1 3 354.520 0.883 20 0 FCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000418823947 489740362 /nfs/dbraw/zinc/74/03/62/489740362.db2.gz ADAISNGBCJXXCU-ARFHVFGLSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863670 489763596 /nfs/dbraw/zinc/76/35/96/489763596.db2.gz BSKTVWOOLJJVFL-HZPDHXFCSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000430934664 489779624 /nfs/dbraw/zinc/77/96/24/489779624.db2.gz QFMRHEKIDGMUMG-OAHLLOKOSA-N 1 3 367.538 0.105 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@@H](C)C1 ZINC000376705541 489780290 /nfs/dbraw/zinc/78/02/90/489780290.db2.gz FOZHHGFLPUKADV-YESZJQIVSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@@H](C)C1 ZINC000376705541 489780294 /nfs/dbraw/zinc/78/02/94/489780294.db2.gz FOZHHGFLPUKADV-YESZJQIVSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000376705541 489780298 /nfs/dbraw/zinc/78/02/98/489780298.db2.gz FOZHHGFLPUKADV-YESZJQIVSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)CCN(C)C)CC2)C[C@@H](C)O1 ZINC000459891308 489782841 /nfs/dbraw/zinc/78/28/41/489782841.db2.gz BBJJZYCOHJSNQN-HZPDHXFCSA-N 1 3 368.522 0.354 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000459925779 489796406 /nfs/dbraw/zinc/79/64/06/489796406.db2.gz UODQIYKNFZGNBF-INIZCTEOSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@@H+]1C ZINC000418942234 489798588 /nfs/dbraw/zinc/79/85/88/489798588.db2.gz ASEKDJQJENSZHO-OSMBCOQSSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@H+]1C ZINC000418942234 489798591 /nfs/dbraw/zinc/79/85/91/489798591.db2.gz ASEKDJQJENSZHO-OSMBCOQSSA-N 1 3 362.449 0.678 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000418946855 489800475 /nfs/dbraw/zinc/80/04/75/489800475.db2.gz OXNJFCONNKATQV-RRQGHBQHSA-N 1 3 364.465 0.925 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000418954175 489803553 /nfs/dbraw/zinc/80/35/53/489803553.db2.gz WCHCMXMXVWZJGG-OXJNMPFZSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H]1[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCN1C ZINC000431459615 489806000 /nfs/dbraw/zinc/80/60/00/489806000.db2.gz OOQGTEJTKQBDNM-HZPDHXFCSA-N 1 3 353.511 0.761 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](CN)C1 ZINC000419000400 489814577 /nfs/dbraw/zinc/81/45/77/489814577.db2.gz OHXOTGWVLLEQMT-HZPDHXFCSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017984 489819411 /nfs/dbraw/zinc/81/94/11/489819411.db2.gz BHSZMFPBYBNCPS-OAGGEKHMSA-N 1 3 350.507 0.895 20 0 FCADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419023158 489821565 /nfs/dbraw/zinc/82/15/65/489821565.db2.gz JFJVFYPTBLZTRB-DMRKSPOLSA-N 1 3 352.523 0.973 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419024768 489822389 /nfs/dbraw/zinc/82/23/89/489822389.db2.gz LANVJDDPBJQJSA-DRRXZNNHSA-N 1 3 350.507 0.727 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419024771 489822628 /nfs/dbraw/zinc/82/26/28/489822628.db2.gz LANVJDDPBJQJSA-JSRQGNBESA-N 1 3 350.507 0.727 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419023948 489822666 /nfs/dbraw/zinc/82/26/66/489822666.db2.gz KMIDDWJGBBIBSF-YPLQCARHSA-N 1 3 364.534 0.973 20 0 FCADHO C[NH+](C)C1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCC1 ZINC000431917292 489823060 /nfs/dbraw/zinc/82/30/60/489823060.db2.gz VIFANSRXUPHORI-UHFFFAOYSA-N 1 3 353.511 0.762 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CCC1 ZINC000419039634 489830544 /nfs/dbraw/zinc/83/05/44/489830544.db2.gz VRGOPLLJLXYXFB-UHFFFAOYSA-N 1 3 368.547 0.852 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069168 489843897 /nfs/dbraw/zinc/84/38/97/489843897.db2.gz GBXUQUYREMOEPQ-RDJZCZTQSA-N 1 3 362.474 0.754 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419079964 489848209 /nfs/dbraw/zinc/84/82/09/489848209.db2.gz NYGBTTPTALMKHL-YLFCFFPRSA-N 1 3 350.507 0.953 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419080888 489849383 /nfs/dbraw/zinc/84/93/83/489849383.db2.gz QMWKTKZWIARYBR-QBPKDAKJSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419103975 489855644 /nfs/dbraw/zinc/85/56/44/489855644.db2.gz GUVCAWCVPGHYCX-NJAFHUGGSA-N 1 3 358.486 0.691 20 0 FCADHO CSC1(CNC(=O)NCC2CC[NH+](CCO)CC2)CCN(C)CC1 ZINC000460276070 489861608 /nfs/dbraw/zinc/86/16/08/489861608.db2.gz WSPUXOJFQBSYLV-UHFFFAOYSA-N 1 3 358.552 0.817 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000419121915 489866011 /nfs/dbraw/zinc/86/60/11/489866011.db2.gz FIUBETCURIFFNX-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)[C@H](C[NH3+])C1 ZINC000419123044 489867072 /nfs/dbraw/zinc/86/70/72/489867072.db2.gz OUWLTDWGQWUZJW-HRCADAONSA-N 1 3 354.495 0.332 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000494192837 489874195 /nfs/dbraw/zinc/87/41/95/489874195.db2.gz UJRPLHDLXXKAKY-HOTGVXAUSA-N 1 3 364.494 0.944 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419998509 489876577 /nfs/dbraw/zinc/87/65/77/489876577.db2.gz QRUKJSDOCHMNJU-GFCCVEGCSA-N 1 3 356.417 0.709 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419999658 489877816 /nfs/dbraw/zinc/87/78/16/489877816.db2.gz OOZOTUPSEAHSNY-MRXNPFEDSA-N 1 3 352.454 0.815 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420027647 489885039 /nfs/dbraw/zinc/88/50/39/489885039.db2.gz DAXKXFSEABFWPP-HUUCEWRRSA-N 1 3 356.511 0.796 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccn(CCN(C)C)n2)CCCO1 ZINC000433516126 489889781 /nfs/dbraw/zinc/88/97/81/489889781.db2.gz NEPVIWXUNRNIFO-OAHLLOKOSA-N 1 3 352.483 1.067 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CCN(C)C)n2)CCCO1 ZINC000433516126 489889785 /nfs/dbraw/zinc/88/97/85/489889785.db2.gz NEPVIWXUNRNIFO-OAHLLOKOSA-N 1 3 352.483 1.067 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N[C@@H](CN)C3CC3)C2)CC1 ZINC000420063845 489899851 /nfs/dbraw/zinc/89/98/51/489899851.db2.gz NXVCUPKOUHFZSV-RDJZCZTQSA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064848 489900476 /nfs/dbraw/zinc/90/04/76/489900476.db2.gz OYHFQPWENXRXNK-GOEBONIOSA-N 1 3 354.495 0.189 20 0 FCADHO CN(Cc1ccccc1C[N@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000461381444 489907489 /nfs/dbraw/zinc/90/74/89/489907489.db2.gz NLCFJMNIPIUKPG-WOJBJXKFSA-N 1 3 364.486 0.853 20 0 FCADHO CN(Cc1ccccc1C[N@@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000461381444 489907495 /nfs/dbraw/zinc/90/74/95/489907495.db2.gz NLCFJMNIPIUKPG-WOJBJXKFSA-N 1 3 364.486 0.853 20 0 FCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420100517 489912215 /nfs/dbraw/zinc/91/22/15/489912215.db2.gz KPLKIWQBVZDLMX-GOSISDBHSA-N 1 3 356.470 0.993 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(CCN3CCOCC3)CC2)CC1 ZINC000377513198 489912863 /nfs/dbraw/zinc/91/28/63/489912863.db2.gz SHOCLLYCPZXYDL-SFHVURJKSA-N 1 3 366.550 0.973 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000420129287 489923059 /nfs/dbraw/zinc/92/30/59/489923059.db2.gz WPYRSBIUSPRRFO-SJLPKXTDSA-N 1 3 360.502 0.999 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000420141246 489928307 /nfs/dbraw/zinc/92/83/07/489928307.db2.gz ZBSPHNOFSFWSLL-DZGCQCFKSA-N 1 3 350.463 0.735 20 0 FCADHO O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3CN3CC[C@@H](O)C3)CC2)N1 ZINC000564117763 491289376 /nfs/dbraw/zinc/28/93/76/491289376.db2.gz MNMMDVWBKDDPHD-OHTSDLOESA-N 1 3 372.469 0.864 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)C2)CC1 ZINC000420188194 489946198 /nfs/dbraw/zinc/94/61/98/489946198.db2.gz CLANSDGSCFBPKV-IRXDYDNUSA-N 1 3 366.506 0.062 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420190730 489946650 /nfs/dbraw/zinc/94/66/50/489946650.db2.gz HFVZSZAEUWAMBK-GDBMZVCRSA-N 1 3 364.465 0.960 20 0 FCADHO C[C@H]1C[C@H](O)CN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420202805 489950288 /nfs/dbraw/zinc/95/02/88/489950288.db2.gz JWDMSBQJCMSJEW-RDJZCZTQSA-N 1 3 374.485 0.078 20 0 FCADHO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420206601 489952544 /nfs/dbraw/zinc/95/25/44/489952544.db2.gz SPIDWLBDECWUHB-QGZVFWFLSA-N 1 3 368.522 0.452 20 0 FCADHO Cc1ccc(CN2CCCN(C(=O)CN3CCC(O)(C[NH3+])CC3)CC2)cc1 ZINC000420402011 489971272 /nfs/dbraw/zinc/97/12/72/489971272.db2.gz HSIXRYSDQGOVLZ-UHFFFAOYSA-N 1 3 374.529 0.815 20 0 FCADHO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420422567 489974155 /nfs/dbraw/zinc/97/41/55/489974155.db2.gz QBCKCUPPDCNOET-HNNXBMFYSA-N 1 3 357.524 0.824 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420441493 489977422 /nfs/dbraw/zinc/97/74/22/489977422.db2.gz VXDZMBXNIHLTSB-MRXNPFEDSA-N 1 3 357.524 0.730 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000477617027 489977542 /nfs/dbraw/zinc/97/75/42/489977542.db2.gz QAYIUUJOLZDDAR-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000477617027 489977546 /nfs/dbraw/zinc/97/75/46/489977546.db2.gz QAYIUUJOLZDDAR-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420468925 489981821 /nfs/dbraw/zinc/98/18/21/489981821.db2.gz YJGYMBIMJPSTBS-IUODEOHRSA-N 1 3 357.524 0.809 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000377931441 489982128 /nfs/dbraw/zinc/98/21/28/489982128.db2.gz JGKBXAFQVZFIFM-KZNAEPCWSA-N 1 3 368.522 0.992 20 0 FCADHO CNc1nc(N(C)C[C@H]2CCCN2C)nc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420643929 490004089 /nfs/dbraw/zinc/00/40/89/490004089.db2.gz XYXOQQBGOBYZJE-HUUCEWRRSA-N 1 3 362.526 0.396 20 0 FCADHO CNc1nc(N(C)C[C@H]2CCCN2C)nc(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420643929 490004092 /nfs/dbraw/zinc/00/40/92/490004092.db2.gz XYXOQQBGOBYZJE-HUUCEWRRSA-N 1 3 362.526 0.396 20 0 FCADHO CC(C)[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)N1CCN(C)CC1 ZINC000436487940 490007080 /nfs/dbraw/zinc/00/70/80/490007080.db2.gz LWOXTCJCEAEHJQ-INIZCTEOSA-N 1 3 365.526 0.838 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420801335 490023234 /nfs/dbraw/zinc/02/32/34/490023234.db2.gz KHHDBSMAQMNVLP-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CCOC(=O)CN(C)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420986466 490039868 /nfs/dbraw/zinc/03/98/68/490039868.db2.gz YMYPCYPPMVBZCA-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO CCOC(=O)CN(C)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420986466 490039872 /nfs/dbraw/zinc/03/98/72/490039872.db2.gz YMYPCYPPMVBZCA-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO NC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202474 490072875 /nfs/dbraw/zinc/07/28/75/490072875.db2.gz QMJSEAFCDAZVRE-GDBMZVCRSA-N 1 3 350.438 0.572 20 0 FCADHO NC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202474 490072878 /nfs/dbraw/zinc/07/28/78/490072878.db2.gz QMJSEAFCDAZVRE-GDBMZVCRSA-N 1 3 350.438 0.572 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479201604 490072921 /nfs/dbraw/zinc/07/29/21/490072921.db2.gz ISCWKVCHMTVVPL-DLBZAZTESA-N 1 3 364.465 0.927 20 0 FCADHO [NH3+]C[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000479206669 490074030 /nfs/dbraw/zinc/07/40/30/490074030.db2.gz PUUVGQQVIRMRJC-QGZVFWFLSA-N 1 3 362.449 0.635 20 0 FCADHO [NH3+]C1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000519819818 490090937 /nfs/dbraw/zinc/09/09/37/490090937.db2.gz NJIQLQQGPLDVEI-FUHWJXTLSA-N 1 3 356.470 0.669 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000564290482 491298447 /nfs/dbraw/zinc/29/84/47/491298447.db2.gz JAEAKSJAHXPTPJ-XHSDSOJGSA-N 1 3 366.506 0.012 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)CSCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704836 490099322 /nfs/dbraw/zinc/09/93/22/490099322.db2.gz PXINFNCKIUFQGD-HZPDHXFCSA-N 1 3 370.563 0.825 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)CSCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421704836 490099333 /nfs/dbraw/zinc/09/93/33/490099333.db2.gz PXINFNCKIUFQGD-HZPDHXFCSA-N 1 3 370.563 0.825 20 0 FCADHO C[C@H](CC(N)=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519096 490099547 /nfs/dbraw/zinc/09/95/47/490099547.db2.gz SMFQYRURQGRJGR-KGLIPLIRSA-N 1 3 370.519 0.831 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000421792063 490105468 /nfs/dbraw/zinc/10/54/68/490105468.db2.gz MKQLQKQZBZQNJM-QGZVFWFLSA-N 1 3 350.507 0.918 20 0 FCADHO CCc1nncn1CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000545260336 490106442 /nfs/dbraw/zinc/10/64/42/490106442.db2.gz UDVSGCFMOPRVNG-INIZCTEOSA-N 1 3 365.526 0.898 20 0 FCADHO CCc1nncn1CCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000545260336 490106447 /nfs/dbraw/zinc/10/64/47/490106447.db2.gz UDVSGCFMOPRVNG-INIZCTEOSA-N 1 3 365.526 0.898 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000556206283 491302984 /nfs/dbraw/zinc/30/29/84/491302984.db2.gz KPVHDOFIVGXRDC-YOEHRIQHSA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCSC1 ZINC000556206673 491303091 /nfs/dbraw/zinc/30/30/91/491303091.db2.gz MMWDZTNIHAESQE-QGZVFWFLSA-N 1 3 356.536 0.340 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354137 491303114 /nfs/dbraw/zinc/30/31/14/491303114.db2.gz DPBPJQUZNLPJDH-HOTGVXAUSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354137 491303116 /nfs/dbraw/zinc/30/31/16/491303116.db2.gz DPBPJQUZNLPJDH-HOTGVXAUSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)n1 ZINC000446662607 490161739 /nfs/dbraw/zinc/16/17/39/490161739.db2.gz WBJOZTQVAHQRMR-UHFFFAOYSA-N 1 3 358.446 1.084 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000571288729 491298379 /nfs/dbraw/zinc/29/83/79/491298379.db2.gz DBZCKNVKISSTKY-HNNXBMFYSA-N 1 3 364.494 0.068 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422126698 490177789 /nfs/dbraw/zinc/17/77/89/490177789.db2.gz XAJNSMJGACKGCZ-DLBZAZTESA-N 1 3 368.522 0.498 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422299394 490241483 /nfs/dbraw/zinc/24/14/83/490241483.db2.gz TYPKJSUDIJDKSE-MRXNPFEDSA-N 1 3 366.506 0.300 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)CC1 ZINC000498033686 490246910 /nfs/dbraw/zinc/24/69/10/490246910.db2.gz VSURCDPBZWJXRI-SQNIBIBYSA-N 1 3 369.554 0.357 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H](C)C1 ZINC000556363915 491312452 /nfs/dbraw/zinc/31/24/52/491312452.db2.gz PFEXHRSEBZDBNB-WCXIOVBPSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](C)C1 ZINC000556363915 491312454 /nfs/dbraw/zinc/31/24/54/491312454.db2.gz PFEXHRSEBZDBNB-WCXIOVBPSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422374010 490286175 /nfs/dbraw/zinc/28/61/75/490286175.db2.gz CEEMCSMASCWNIE-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422374010 490286183 /nfs/dbraw/zinc/28/61/83/490286183.db2.gz CEEMCSMASCWNIE-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379270 490288010 /nfs/dbraw/zinc/28/80/10/490288010.db2.gz NUCMJYAYDSDULH-IRXDYDNUSA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000422379270 490288016 /nfs/dbraw/zinc/28/80/16/490288016.db2.gz NUCMJYAYDSDULH-IRXDYDNUSA-N 1 3 368.522 0.545 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000571590479 491317625 /nfs/dbraw/zinc/31/76/25/491317625.db2.gz ZDVCGUYUIWIMAP-UHFFFAOYSA-N 1 3 368.522 0.596 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626682 491319536 /nfs/dbraw/zinc/31/95/36/491319536.db2.gz PTIVKCAAKRNEHB-BSDSXHPESA-N 1 3 356.470 0.683 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000571626682 491319539 /nfs/dbraw/zinc/31/95/39/491319539.db2.gz PTIVKCAAKRNEHB-BSDSXHPESA-N 1 3 356.470 0.683 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436511 490350841 /nfs/dbraw/zinc/35/08/41/490350841.db2.gz NLNNTGNYNIKZIR-SJORKVTESA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436511 490350845 /nfs/dbraw/zinc/35/08/45/490350845.db2.gz NLNNTGNYNIKZIR-SJORKVTESA-N 1 3 352.523 0.881 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342648 490390817 /nfs/dbraw/zinc/39/08/17/490390817.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342648 490390825 /nfs/dbraw/zinc/39/08/25/490390825.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@H]1[C@H](C(=O)NCC[N@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342648 490390834 /nfs/dbraw/zinc/39/08/34/490390834.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@H]1[C@H](C(=O)NCC[N@@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342648 490390840 /nfs/dbraw/zinc/39/08/40/490390840.db2.gz UPPCRGMVOBWUJN-USXIJHARSA-N 1 3 368.522 0.354 20 0 FCADHO CN(C)Cc1ccsc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000534664576 490395182 /nfs/dbraw/zinc/39/51/82/490395182.db2.gz YDDQWDPKCIYERM-UHFFFAOYSA-N 1 3 368.547 0.930 20 0 FCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000411243505 490412495 /nfs/dbraw/zinc/41/24/95/490412495.db2.gz LTSNNHQUNOFUPS-UHFFFAOYSA-N 1 3 350.463 0.942 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000509723936 490458136 /nfs/dbraw/zinc/45/81/36/490458136.db2.gz ZZPZTHWFMRRIFL-KRWDZBQOSA-N 1 3 368.522 0.548 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000509723790 490458410 /nfs/dbraw/zinc/45/84/10/490458410.db2.gz ZJWZSNIVLVTTIQ-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000509723790 490458411 /nfs/dbraw/zinc/45/84/11/490458411.db2.gz ZJWZSNIVLVTTIQ-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422714588 490464095 /nfs/dbraw/zinc/46/40/95/490464095.db2.gz LDHSXUOMQFSXBH-ZWKOTPCHSA-N 1 3 362.522 0.735 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523481631 490468461 /nfs/dbraw/zinc/46/84/61/490468461.db2.gz HZNSCOASKCUNDU-HZPDHXFCSA-N 1 3 355.527 0.959 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482359 490468985 /nfs/dbraw/zinc/46/89/85/490468985.db2.gz TZLUOYRFTMSYIN-MRXNPFEDSA-N 1 3 366.506 0.790 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482359 490468993 /nfs/dbraw/zinc/46/89/93/490468993.db2.gz TZLUOYRFTMSYIN-MRXNPFEDSA-N 1 3 366.506 0.790 20 0 FCADHO CC[NH+]1CCN(CCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CC1 ZINC000468980132 490472511 /nfs/dbraw/zinc/47/25/11/490472511.db2.gz PETFLQYVBLKPOY-UHFFFAOYSA-N 1 3 361.490 0.813 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000500443626 490516701 /nfs/dbraw/zinc/51/67/01/490516701.db2.gz QHPGWGLKAWVJIG-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO COC[C@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000564908664 491335305 /nfs/dbraw/zinc/33/53/05/491335305.db2.gz ZQMPSRJYXKWXDT-IBGZPJMESA-N 1 3 362.474 0.220 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000500779316 490552762 /nfs/dbraw/zinc/55/27/62/490552762.db2.gz JAJAUDCUFRNDCK-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000524858402 490565631 /nfs/dbraw/zinc/56/56/31/490565631.db2.gz GETGWUIGXZPVPO-HZPDHXFCSA-N 1 3 351.495 0.454 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000524858402 490565636 /nfs/dbraw/zinc/56/56/36/490565636.db2.gz GETGWUIGXZPVPO-HZPDHXFCSA-N 1 3 351.495 0.454 20 0 FCADHO Cc1cc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)cn1 ZINC000536619755 490598456 /nfs/dbraw/zinc/59/84/56/490598456.db2.gz HDMWTEGGSJPSSA-UHFFFAOYSA-N 1 3 359.434 0.639 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCCCCC1 ZINC000525445537 490606126 /nfs/dbraw/zinc/60/61/26/490606126.db2.gz UGVNLXHPVBCMOC-UHFFFAOYSA-N 1 3 355.527 0.914 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958130 491339765 /nfs/dbraw/zinc/33/97/65/491339765.db2.gz JARNTSJVCMFVDJ-PBHICJAKSA-N 1 3 362.474 0.769 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122042 490627673 /nfs/dbraw/zinc/62/76/73/490627673.db2.gz ONZRCHKSDZJROY-KBXCAEBGSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000572001992 491342492 /nfs/dbraw/zinc/34/24/92/491342492.db2.gz XXCXOMRPEOQOAY-UONOGXRCSA-N 1 3 350.463 0.485 20 0 FCADHO CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000572059415 491346093 /nfs/dbraw/zinc/34/60/93/491346093.db2.gz GYZSKRYNSYAAPG-CVEARBPZSA-N 1 3 351.495 0.452 20 0 FCADHO O=C1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CN1CCN1CCOCC1 ZINC000538158555 490716406 /nfs/dbraw/zinc/71/64/06/490716406.db2.gz GZAOMSVQRWZINZ-GOSISDBHSA-N 1 3 350.507 0.384 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000527374377 490720639 /nfs/dbraw/zinc/72/06/39/490720639.db2.gz XDEHBRYPITVEBE-UHFFFAOYSA-N 1 3 361.490 0.851 20 0 FCADHO COCCCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487671688 490724386 /nfs/dbraw/zinc/72/43/86/490724386.db2.gz GRQDWROGCIWXCC-SJORKVTESA-N 1 3 356.511 0.632 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513469958 490731932 /nfs/dbraw/zinc/73/19/32/490731932.db2.gz UBISDHSYHCCHBW-MRXNPFEDSA-N 1 3 369.554 0.175 20 0 FCADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000514737541 490785755 /nfs/dbraw/zinc/78/57/55/490785755.db2.gz XMTOXVMIHLYSOR-YESZJQIVSA-N 1 3 359.474 0.113 20 0 FCADHO CN1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](CN)C1 ZINC000557154444 491356808 /nfs/dbraw/zinc/35/68/08/491356808.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 1 3 359.518 0.835 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000515005794 490802768 /nfs/dbraw/zinc/80/27/68/490802768.db2.gz PSNJVCVRSMGKJM-KRWDZBQOSA-N 1 3 352.523 0.975 20 0 FCADHO CN1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](CN)C1 ZINC000557154444 491356811 /nfs/dbraw/zinc/35/68/11/491356811.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 1 3 359.518 0.835 20 0 FCADHO O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000515073135 490807517 /nfs/dbraw/zinc/80/75/17/490807517.db2.gz GFEQADRYCZEVBC-RBUKOAKNSA-N 1 3 357.502 0.950 20 0 FCADHO C[C@]1(CO)CN(C/C=C/C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753334 490826528 /nfs/dbraw/zinc/82/65/28/490826528.db2.gz WDBFPSDKOZEPNL-MCBGNAOOSA-N 1 3 370.534 0.168 20 0 FCADHO C[C@]1(CO)CN(C/C=C/C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753334 490826530 /nfs/dbraw/zinc/82/65/30/490826530.db2.gz WDBFPSDKOZEPNL-MCBGNAOOSA-N 1 3 370.534 0.168 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000515836977 490840084 /nfs/dbraw/zinc/84/00/84/490840084.db2.gz KUEWMLYXTLPITI-MAUKXSAKSA-N 1 3 362.518 0.968 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCCS1(=O)=O ZINC000505802472 490840317 /nfs/dbraw/zinc/84/03/17/490840317.db2.gz QBFLYQPDKCCZRV-MRXNPFEDSA-N 1 3 374.551 0.287 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1CCCS1(=O)=O ZINC000505802472 490840320 /nfs/dbraw/zinc/84/03/20/490840320.db2.gz QBFLYQPDKCCZRV-MRXNPFEDSA-N 1 3 374.551 0.287 20 0 FCADHO Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000516989375 490889736 /nfs/dbraw/zinc/88/97/36/490889736.db2.gz ZTBUPURTPXHHGT-ZDUSSCGKSA-N 1 3 367.494 0.290 20 0 FCADHO Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000516989375 490889738 /nfs/dbraw/zinc/88/97/38/490889738.db2.gz ZTBUPURTPXHHGT-ZDUSSCGKSA-N 1 3 367.494 0.290 20 0 FCADHO CN1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000517541852 490911184 /nfs/dbraw/zinc/91/11/84/490911184.db2.gz CCJLMUWSTQGDIK-ROUUACIJSA-N 1 3 373.501 0.041 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000517567068 490912660 /nfs/dbraw/zinc/91/26/60/490912660.db2.gz YWMVRPSAOXEJTF-OAHLLOKOSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000517567068 490912663 /nfs/dbraw/zinc/91/26/63/490912663.db2.gz YWMVRPSAOXEJTF-OAHLLOKOSA-N 1 3 365.522 0.713 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000517616452 490914590 /nfs/dbraw/zinc/91/45/90/490914590.db2.gz KWYDQNANWWELBI-IRXDYDNUSA-N 1 3 368.522 0.279 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCCNCC3)C2)CC1 ZINC000517731060 490918027 /nfs/dbraw/zinc/91/80/27/490918027.db2.gz HFOKKRANCIVFKC-KRWDZBQOSA-N 1 3 350.507 0.779 20 0 FCADHO CCN1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531052834 490937545 /nfs/dbraw/zinc/93/75/45/490937545.db2.gz LESIGPLJBASIRG-FQEVSTJZSA-N 1 3 360.502 0.377 20 0 FCADHO CCN1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531052834 490937547 /nfs/dbraw/zinc/93/75/47/490937547.db2.gz LESIGPLJBASIRG-FQEVSTJZSA-N 1 3 360.502 0.377 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440907 490941248 /nfs/dbraw/zinc/94/12/48/490941248.db2.gz WJJWLHYRXRQBPF-HZPDHXFCSA-N 1 3 353.511 0.747 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440907 490941250 /nfs/dbraw/zinc/94/12/50/490941250.db2.gz WJJWLHYRXRQBPF-HZPDHXFCSA-N 1 3 353.511 0.747 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518738558 490949656 /nfs/dbraw/zinc/94/96/56/490949656.db2.gz ZVJIQKIYMVSCDD-KKUMJFAQSA-N 1 3 352.479 0.302 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000531357621 490953604 /nfs/dbraw/zinc/95/36/04/490953604.db2.gz KJFVGIHCIYURMY-UHFFFAOYSA-N 1 3 356.417 0.646 20 0 FCADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CN1C1CC1 ZINC000531484062 490960307 /nfs/dbraw/zinc/96/03/07/490960307.db2.gz ZCUHRDGRAOWGIN-HOCLYGCPSA-N 1 3 365.522 0.854 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000572399868 491367592 /nfs/dbraw/zinc/36/75/92/491367592.db2.gz DIPIPMPVMGUPHH-NRFANRHFSA-N 1 3 370.497 0.684 20 0 FCADHO CC(=O)N1CCCN(C[C@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000519541580 490975114 /nfs/dbraw/zinc/97/51/14/490975114.db2.gz CPSRWWAJMLMLFF-SJORKVTESA-N 1 3 351.495 0.324 20 0 FCADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812236 490975445 /nfs/dbraw/zinc/97/54/45/490975445.db2.gz HNAYWLYXVHRMFA-DOTOQJQBSA-N 1 3 363.506 0.419 20 0 FCADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812236 490975446 /nfs/dbraw/zinc/97/54/46/490975446.db2.gz HNAYWLYXVHRMFA-DOTOQJQBSA-N 1 3 363.506 0.419 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000532264885 490990114 /nfs/dbraw/zinc/99/01/14/490990114.db2.gz ZMXJSEQJRGMULI-GVDBMIGSSA-N 1 3 354.495 0.384 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315168 490990841 /nfs/dbraw/zinc/99/08/41/490990841.db2.gz NXRLDAAKOHANBR-WMLDXEAASA-N 1 3 365.522 0.711 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)C(=O)N(C)CCN(C)C)CCCC2)CC1 ZINC000553940401 491165744 /nfs/dbraw/zinc/16/57/44/491165744.db2.gz GQTWNCQTYVLFEP-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C ZINC000554029325 491171013 /nfs/dbraw/zinc/17/10/13/491171013.db2.gz GKDCGXIPDJVQFP-HZPDHXFCSA-N 1 3 368.522 0.545 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000569621735 491175443 /nfs/dbraw/zinc/17/54/43/491175443.db2.gz ROIFLOYAVJODEO-UHFFFAOYSA-N 1 3 357.462 0.844 20 0 FCADHO COC[C@@]1(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCC[NH2+]1 ZINC000572467125 491372283 /nfs/dbraw/zinc/37/22/83/491372283.db2.gz HWQVEDBEARSSNF-YJBOKZPZSA-N 1 3 354.495 0.650 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000572620980 491382028 /nfs/dbraw/zinc/38/20/28/491382028.db2.gz WNMOUCHNJHAEGZ-BRWVUGGUSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561014 491382972 /nfs/dbraw/zinc/38/29/72/491382972.db2.gz DNQPPJJBSLNGMW-GOEBONIOSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561014 491382973 /nfs/dbraw/zinc/38/29/73/491382973.db2.gz DNQPPJJBSLNGMW-GOEBONIOSA-N 1 3 354.495 0.155 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000565549910 491383918 /nfs/dbraw/zinc/38/39/18/491383918.db2.gz OFRLHNIIXQNJEA-UHFFFAOYSA-N 1 3 356.536 0.662 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000565615493 491389469 /nfs/dbraw/zinc/38/94/69/491389469.db2.gz FYHYJVCXVBQQDN-CVEARBPZSA-N 1 3 356.511 0.450 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000565615493 491389471 /nfs/dbraw/zinc/38/94/71/491389471.db2.gz FYHYJVCXVBQQDN-CVEARBPZSA-N 1 3 356.511 0.450 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572751029 491391337 /nfs/dbraw/zinc/39/13/37/491391337.db2.gz UAECLOFNLPMPKL-UHFFFAOYSA-N 1 3 373.501 0.968 20 0 FCADHO COCCN(C)C[C@H](O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754111 491397801 /nfs/dbraw/zinc/39/78/01/491397801.db2.gz VKLJMMNGRHGRII-OTWHNJEPSA-N 1 3 356.555 0.416 20 0 FCADHO COCCN(C)C[C@H](O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754111 491397803 /nfs/dbraw/zinc/39/78/03/491397803.db2.gz VKLJMMNGRHGRII-OTWHNJEPSA-N 1 3 356.555 0.416 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)O1 ZINC000572925787 491402225 /nfs/dbraw/zinc/40/22/25/491402225.db2.gz VNEINNVGXROKSZ-LSDHHAIUSA-N 1 3 357.495 0.828 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000573118176 491414118 /nfs/dbraw/zinc/41/41/18/491414118.db2.gz PNZCDJWBLHOZBF-INIZCTEOSA-N 1 3 355.446 0.865 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000573202218 491418807 /nfs/dbraw/zinc/41/88/07/491418807.db2.gz QPDPZIXNKQRXOB-QZTJIDSGSA-N 1 3 358.486 0.932 20 0 FCADHO [NH3+]CCCCn1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)nn1 ZINC000566179227 491423361 /nfs/dbraw/zinc/42/33/61/491423361.db2.gz BASOGKJNTKSPND-UHFFFAOYSA-N 1 3 364.494 0.782 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000558545293 491435268 /nfs/dbraw/zinc/43/52/68/491435268.db2.gz ZGZHAWMMQANYKY-UHFFFAOYSA-N 1 3 366.462 0.929 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000573570221 491441089 /nfs/dbraw/zinc/44/10/89/491441089.db2.gz MLIKIXQHNRTCIA-ROUUACIJSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000573570221 491441090 /nfs/dbraw/zinc/44/10/90/491441090.db2.gz MLIKIXQHNRTCIA-ROUUACIJSA-N 1 3 362.518 0.873 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](CO)OC[C@H]3C)CC2)CC1 ZINC000566439718 491443687 /nfs/dbraw/zinc/44/36/87/491443687.db2.gz LTWIICXWMMMWAI-CRAIPNDOSA-N 1 3 353.507 0.791 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](CO)OC[C@@H]3C)CC2)CC1 ZINC000566439719 491443708 /nfs/dbraw/zinc/44/37/08/491443708.db2.gz LTWIICXWMMMWAI-MAUKXSAKSA-N 1 3 353.507 0.791 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150768 491477492 /nfs/dbraw/zinc/47/74/92/491477492.db2.gz GAPROAOESGNZDY-RTBURBONSA-N 1 3 371.485 0.731 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150768 491477494 /nfs/dbraw/zinc/47/74/94/491477494.db2.gz GAPROAOESGNZDY-RTBURBONSA-N 1 3 371.485 0.731 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000559615945 491487014 /nfs/dbraw/zinc/48/70/14/491487014.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 1 3 351.499 0.108 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000559615945 491487016 /nfs/dbraw/zinc/48/70/16/491487016.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 1 3 351.499 0.108 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000574553548 491504934 /nfs/dbraw/zinc/50/49/34/491504934.db2.gz HNMSTZINFZJUHT-CQSZACIVSA-N 1 3 356.511 0.401 20 0 FCADHO [NH3+]CCCn1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)nn1 ZINC000574570954 491505679 /nfs/dbraw/zinc/50/56/79/491505679.db2.gz YDLHOBOPMMTXMM-UHFFFAOYSA-N 1 3 350.467 0.392 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868014 491506975 /nfs/dbraw/zinc/50/69/75/491506975.db2.gz WZKJZBFNHIEXDI-IFIJOSMWSA-N 1 3 354.520 0.139 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013071 491514226 /nfs/dbraw/zinc/51/42/26/491514226.db2.gz HXDOEQBEKARVHG-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804693 491530757 /nfs/dbraw/zinc/53/07/57/491530757.db2.gz URZKLSIBRUZETG-GJZGRUSLSA-N 1 3 350.467 0.025 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567982567 491544722 /nfs/dbraw/zinc/54/47/22/491544722.db2.gz BGUBVDHICUXVLA-PKOBYXMFSA-N 1 3 352.523 0.759 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])c2)CC1 ZINC000575233885 491546837 /nfs/dbraw/zinc/54/68/37/491546837.db2.gz MHHJPQCIZJHVGV-SFHVURJKSA-N 1 3 360.506 0.935 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295697 491567879 /nfs/dbraw/zinc/56/78/79/491567879.db2.gz LUFXNSQDHACJEI-RCCFBDPRSA-N 1 3 371.485 0.604 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295697 491567880 /nfs/dbraw/zinc/56/78/80/491567880.db2.gz LUFXNSQDHACJEI-RCCFBDPRSA-N 1 3 371.485 0.604 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000575902761 491569078 /nfs/dbraw/zinc/56/90/78/491569078.db2.gz XNFOGCLDJMDKDJ-HRCADAONSA-N 1 3 350.507 0.824 20 0 FCADHO CN(C)CCN(Cc1ccccn1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575920685 491570048 /nfs/dbraw/zinc/57/00/48/491570048.db2.gz JEFZBLPVJVVWOS-INIZCTEOSA-N 1 3 357.462 0.629 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000575973966 491573345 /nfs/dbraw/zinc/57/33/45/491573345.db2.gz DYUHPUFZNGJDJV-INIZCTEOSA-N 1 3 362.474 0.441 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000576015914 491576417 /nfs/dbraw/zinc/57/64/17/491576417.db2.gz FOMXRPGYELZSTB-XMTFNYHQSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000568534835 491584676 /nfs/dbraw/zinc/58/46/76/491584676.db2.gz FKGSOHFPCHWHDM-RYQLBKOJSA-N 1 3 358.486 0.976 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC000576146831 491586351 /nfs/dbraw/zinc/58/63/51/491586351.db2.gz FLDPFZLFKZFBJX-FQEVSTJZSA-N 1 3 362.518 0.923 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)CC1=O ZINC000673650361 493353080 /nfs/dbraw/zinc/35/30/80/493353080.db2.gz OQJIDUYEGAZRGG-SJORKVTESA-N 1 3 366.506 0.110 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520254 491599963 /nfs/dbraw/zinc/59/99/63/491599963.db2.gz LKKKHMAQMYSETJ-KGLIPLIRSA-N 1 3 352.479 0.302 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000561589130 491619730 /nfs/dbraw/zinc/61/97/30/491619730.db2.gz MMLMLDASMITZJI-HNNXBMFYSA-N 1 3 368.522 0.545 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412669 491620553 /nfs/dbraw/zinc/62/05/53/491620553.db2.gz VOUICTIBILAPNW-OZILWLBTSA-N 1 3 361.490 0.093 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000561897242 491638351 /nfs/dbraw/zinc/63/83/51/491638351.db2.gz TVUNDNGAXNPYRN-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577714685 491644261 /nfs/dbraw/zinc/64/42/61/491644261.db2.gz SZZMOAKYVUWIMA-PKOBYXMFSA-N 1 3 358.486 0.942 20 0 FCADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000577714685 491644264 /nfs/dbraw/zinc/64/42/64/491644264.db2.gz SZZMOAKYVUWIMA-PKOBYXMFSA-N 1 3 358.486 0.942 20 0 FCADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576837922 491649208 /nfs/dbraw/zinc/64/92/08/491649208.db2.gz LPEJRUYSTMTROC-WFASDCNBSA-N 1 3 356.426 0.878 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC[NH2+]CC1 ZINC000569458506 491663612 /nfs/dbraw/zinc/66/36/12/491663612.db2.gz MBQQZNXWSAIJTI-GOEBONIOSA-N 1 3 369.531 0.629 20 0 FCADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000578339469 491675078 /nfs/dbraw/zinc/67/50/78/491675078.db2.gz HGAJZGFRRKVHST-DLBZAZTESA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579147904 491692075 /nfs/dbraw/zinc/69/20/75/491692075.db2.gz WZWVIIQZNCHMMK-CABCVRRESA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147904 491692076 /nfs/dbraw/zinc/69/20/76/491692076.db2.gz WZWVIIQZNCHMMK-CABCVRRESA-N 1 3 350.507 0.966 20 0 FCADHO NC[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590129 491701065 /nfs/dbraw/zinc/70/10/65/491701065.db2.gz KLWIMVAAWVSJPM-OKZBNKHCSA-N 1 3 371.485 0.476 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000579715223 491703755 /nfs/dbraw/zinc/70/37/55/491703755.db2.gz UIDDBJDJFPIRFA-OWCLPIDISA-N 1 3 354.495 0.250 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579736113 491704252 /nfs/dbraw/zinc/70/42/52/491704252.db2.gz XYRDCJKNLNEQJM-NPJQDHAYSA-N 1 3 351.495 0.306 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579736113 491704253 /nfs/dbraw/zinc/70/42/53/491704253.db2.gz XYRDCJKNLNEQJM-NPJQDHAYSA-N 1 3 351.495 0.306 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000579735726 491704284 /nfs/dbraw/zinc/70/42/84/491704284.db2.gz MYGBOGWXGKGPCL-DOTOQJQBSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000584581834 491708316 /nfs/dbraw/zinc/70/83/16/491708316.db2.gz FEVZDFZSRUDIHI-UHFFFAOYSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C[C@@H]1COCCO1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660575579 493362633 /nfs/dbraw/zinc/36/26/33/493362633.db2.gz WIADEEREWSJKHX-QGZVFWFLSA-N 1 3 354.495 0.602 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NCCN1CCCCCC1 ZINC000580613195 491738634 /nfs/dbraw/zinc/73/86/34/491738634.db2.gz ZQIDZCXWMKZWJZ-IAGOWNOFSA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)NCCN1CCCCCC1 ZINC000580613195 491738635 /nfs/dbraw/zinc/73/86/35/491738635.db2.gz ZQIDZCXWMKZWJZ-IAGOWNOFSA-N 1 3 365.522 0.905 20 0 FCADHO [NH3+]CCC1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000581315683 491768577 /nfs/dbraw/zinc/76/85/77/491768577.db2.gz NQOXSXIGZAPZAQ-UHFFFAOYSA-N 1 3 350.507 0.908 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CCN2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000581370132 491770303 /nfs/dbraw/zinc/77/03/03/491770303.db2.gz KMXNYBVWDPPLHG-DAXOMENPSA-N 1 3 366.487 0.722 20 0 FCADHO CN(c1ccccc1CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618668 491780169 /nfs/dbraw/zinc/78/01/69/491780169.db2.gz KOYKTDHBHZBAMD-OALUTQOASA-N 1 3 371.529 0.961 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581737624 491785089 /nfs/dbraw/zinc/78/50/89/491785089.db2.gz MQLQAMHJOBRKMG-YLFCFFPRSA-N 1 3 350.507 0.727 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476477 491814265 /nfs/dbraw/zinc/81/42/65/491814265.db2.gz ZHQRWHRQINAUFX-WMLDXEAASA-N 1 3 356.536 0.821 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740272 491824920 /nfs/dbraw/zinc/82/49/20/491824920.db2.gz KDZMEEVYOTWVGY-CXAGYDPISA-N 1 3 354.520 0.140 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740272 491824921 /nfs/dbraw/zinc/82/49/21/491824921.db2.gz KDZMEEVYOTWVGY-CXAGYDPISA-N 1 3 354.520 0.140 20 0 FCADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CCN2C1=O ZINC000582914921 491832259 /nfs/dbraw/zinc/83/22/59/491832259.db2.gz HNJWKQCLUHEDLR-OKZBNKHCSA-N 1 3 371.485 0.604 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)CC(C)C ZINC000582976830 491834918 /nfs/dbraw/zinc/83/49/18/491834918.db2.gz UXYKILHHHPDOAE-JYJNAYRXSA-N 1 3 353.511 0.696 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000583452568 491845335 /nfs/dbraw/zinc/84/53/35/491845335.db2.gz PHRBPSKEBBNCJH-NXOAAHMSSA-N 1 3 350.507 0.809 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583578109 491847970 /nfs/dbraw/zinc/84/79/70/491847970.db2.gz BXLGHCFELICFHM-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1CN(C(=O)NCC(=O)NCCN2CCCCCC2)C[C@@]1(C)C[NH3+] ZINC000583683555 491849978 /nfs/dbraw/zinc/84/99/78/491849978.db2.gz LUGKCNGQEDBQQU-CRAIPNDOSA-N 1 3 353.511 0.605 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@@]3(C1)CCCN(C)C3)CC[NH2+]CC2 ZINC000583807770 491852308 /nfs/dbraw/zinc/85/23/08/491852308.db2.gz ZPJRUZYIWJNHEG-JXFKEZNVSA-N 1 3 362.518 0.921 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000583945693 491855209 /nfs/dbraw/zinc/85/52/09/491855209.db2.gz CSFPNRUHDPZHLC-OWCLPIDISA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CN1C1CC1 ZINC000611638350 491864447 /nfs/dbraw/zinc/86/44/47/491864447.db2.gz SKRCDUDSNNNULR-UKPHBRMFSA-N 1 3 364.490 0.097 20 0 FCADHO CCN1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594885711 491871308 /nfs/dbraw/zinc/87/13/08/491871308.db2.gz DHCCJRXMAGNCRF-MSOLQXFVSA-N 1 3 371.485 0.213 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000594988085 491875497 /nfs/dbraw/zinc/87/54/97/491875497.db2.gz CGLYRPCBHZHFQE-HOTGVXAUSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594988085 491875499 /nfs/dbraw/zinc/87/54/99/491875499.db2.gz CGLYRPCBHZHFQE-HOTGVXAUSA-N 1 3 353.511 0.570 20 0 FCADHO CSC1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[NH+](C)CC1 ZINC000595267343 491909295 /nfs/dbraw/zinc/90/92/95/491909295.db2.gz XTOJYMWSEPSWKO-UHFFFAOYSA-N 1 3 354.480 0.268 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546005 491931711 /nfs/dbraw/zinc/93/17/11/491931711.db2.gz OFHGNGSZQMRSIP-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546987 491932441 /nfs/dbraw/zinc/93/24/41/491932441.db2.gz XRYQXGZMUWOICU-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546987 491932442 /nfs/dbraw/zinc/93/24/42/491932442.db2.gz XRYQXGZMUWOICU-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612930412 491959065 /nfs/dbraw/zinc/95/90/65/491959065.db2.gz NNQIZDHIBDLDCD-XAUUPUKJSA-N 1 3 373.505 0.460 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974019 491960721 /nfs/dbraw/zinc/96/07/21/491960721.db2.gz NNLBASVWTANSOS-CABCVRRESA-N 1 3 351.495 0.370 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCCN3CCOCC3)C2)CC1 ZINC000602201534 491967878 /nfs/dbraw/zinc/96/78/78/491967878.db2.gz QSCYJVGSNIMTHK-QGZVFWFLSA-N 1 3 352.523 0.774 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604194288 492053836 /nfs/dbraw/zinc/05/38/36/492053836.db2.gz FSOYBPMISDDBDC-SJORKVTESA-N 1 3 366.554 0.090 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604194288 492053838 /nfs/dbraw/zinc/05/38/38/492053838.db2.gz FSOYBPMISDDBDC-SJORKVTESA-N 1 3 366.554 0.090 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604194288 492053840 /nfs/dbraw/zinc/05/38/40/492053840.db2.gz FSOYBPMISDDBDC-SJORKVTESA-N 1 3 366.554 0.090 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604194186 492053935 /nfs/dbraw/zinc/05/39/35/492053935.db2.gz FSOYBPMISDDBDC-DLBZAZTESA-N 1 3 366.554 0.090 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604194186 492053936 /nfs/dbraw/zinc/05/39/36/492053936.db2.gz FSOYBPMISDDBDC-DLBZAZTESA-N 1 3 366.554 0.090 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604194186 492053938 /nfs/dbraw/zinc/05/39/38/492053938.db2.gz FSOYBPMISDDBDC-DLBZAZTESA-N 1 3 366.554 0.090 20 0 FCADHO Cc1c(C(=O)N[C@H](CO)CN(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000614854545 492060385 /nfs/dbraw/zinc/06/03/85/492060385.db2.gz PZIWRZJAOVCMAS-HNNXBMFYSA-N 1 3 372.473 0.216 20 0 FCADHO Cc1c(C(=O)N[C@H](CO)CN(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000614854545 492060386 /nfs/dbraw/zinc/06/03/86/492060386.db2.gz PZIWRZJAOVCMAS-HNNXBMFYSA-N 1 3 372.473 0.216 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000605879562 492104366 /nfs/dbraw/zinc/10/43/66/492104366.db2.gz LDWCZHKLHFNVRK-HOTGVXAUSA-N 1 3 351.495 0.357 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000605879562 492104367 /nfs/dbraw/zinc/10/43/67/492104367.db2.gz LDWCZHKLHFNVRK-HOTGVXAUSA-N 1 3 351.495 0.357 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000607245646 492142085 /nfs/dbraw/zinc/14/20/85/492142085.db2.gz LRVPMBZXNZVMKX-JKSUJKDBSA-N 1 3 355.527 0.768 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000618308741 492222491 /nfs/dbraw/zinc/22/24/91/492222491.db2.gz UJLQECGZVOIQJA-INIZCTEOSA-N 1 3 370.563 0.682 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900059 492282305 /nfs/dbraw/zinc/28/23/05/492282305.db2.gz RMEIYEXFZBHRCT-ULQDDVLXSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900059 492282307 /nfs/dbraw/zinc/28/23/07/492282307.db2.gz RMEIYEXFZBHRCT-ULQDDVLXSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1=O ZINC000633943452 492310253 /nfs/dbraw/zinc/31/02/53/492310253.db2.gz NEKPGOZSZIYPAX-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1=O ZINC000634089770 492320345 /nfs/dbraw/zinc/32/03/45/492320345.db2.gz MAMWMKJKGOAFCW-AWEZNQCLSA-N 1 3 362.478 0.498 20 0 FCADHO CN1CCN(c2ccnc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)c2)CC1 ZINC000634196418 492325861 /nfs/dbraw/zinc/32/58/61/492325861.db2.gz VTXXCMKKMZYPRX-OAHLLOKOSA-N 1 3 374.489 0.182 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000647597153 492331889 /nfs/dbraw/zinc/33/18/89/492331889.db2.gz QFGXXTYQSKQCJJ-HOTGVXAUSA-N 1 3 367.538 0.105 20 0 FCADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334879 /nfs/dbraw/zinc/33/48/79/492334879.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 1 3 354.417 0.830 20 0 FCADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334882 /nfs/dbraw/zinc/33/48/82/492334882.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 1 3 354.417 0.830 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334885 /nfs/dbraw/zinc/33/48/85/492334885.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 1 3 354.417 0.830 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(F)(F)F ZINC000647613423 492334888 /nfs/dbraw/zinc/33/48/88/492334888.db2.gz VOOMUNWDOXXNEJ-GFCCVEGCSA-N 1 3 354.417 0.830 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000642102260 492334912 /nfs/dbraw/zinc/33/49/12/492334912.db2.gz XPQLMPGITKJSAP-RDJZCZTQSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000642119459 492336506 /nfs/dbraw/zinc/33/65/06/492336506.db2.gz RPCWAYJGDJTONB-ARFHVFGLSA-N 1 3 368.522 0.578 20 0 FCADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642253875 492345722 /nfs/dbraw/zinc/34/57/22/492345722.db2.gz ODYHQMFZULPSSK-QRVBRYPASA-N 1 3 370.497 0.693 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000642254038 492345818 /nfs/dbraw/zinc/34/58/18/492345818.db2.gz ZYOBDBGWUPOXPN-ROUUACIJSA-N 1 3 358.486 0.883 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCNC3=O)CC2)CC1 ZINC000654759128 492346630 /nfs/dbraw/zinc/34/66/30/492346630.db2.gz HOHKETQDZPJZSB-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000642439518 492357566 /nfs/dbraw/zinc/35/75/66/492357566.db2.gz KHYJSYKKVCRUTD-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640624 492368241 /nfs/dbraw/zinc/36/82/41/492368241.db2.gz BXCBWDLAJOSQJP-LAVFITLUSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640624 492368242 /nfs/dbraw/zinc/36/82/42/492368242.db2.gz BXCBWDLAJOSQJP-LAVFITLUSA-N 1 3 358.486 0.867 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640736 492368964 /nfs/dbraw/zinc/36/89/64/492368964.db2.gz PTFSXPVUZWAJAL-OKZBNKHCSA-N 1 3 358.486 0.820 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640736 492368968 /nfs/dbraw/zinc/36/89/68/492368968.db2.gz PTFSXPVUZWAJAL-OKZBNKHCSA-N 1 3 358.486 0.820 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640947 492369340 /nfs/dbraw/zinc/36/93/40/492369340.db2.gz PTJDFMFARRXVRT-KBAYOESNSA-N 1 3 356.470 0.491 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640947 492369342 /nfs/dbraw/zinc/36/93/42/492369342.db2.gz PTJDFMFARRXVRT-KBAYOESNSA-N 1 3 356.470 0.491 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000642733046 492382367 /nfs/dbraw/zinc/38/23/67/492382367.db2.gz TTYPVGDNZMHVOT-QAPCUYQASA-N 1 3 374.485 0.126 20 0 FCADHO CC1([NH3+])CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000647925452 492383543 /nfs/dbraw/zinc/38/35/43/492383543.db2.gz JJSMSMWGTBVDRV-UHFFFAOYSA-N 1 3 368.503 0.196 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976676 492389840 /nfs/dbraw/zinc/38/98/40/492389840.db2.gz RVZAHGCPERDCCS-DJIMGWMZSA-N 1 3 350.507 0.810 20 0 FCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785832 492391877 /nfs/dbraw/zinc/39/18/77/492391877.db2.gz MMFGTEQXAUUNSX-SFHVURJKSA-N 1 3 358.486 0.965 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000642801801 492395715 /nfs/dbraw/zinc/39/57/15/492395715.db2.gz FNMAXHZHPSHMHO-MAUKXSAKSA-N 1 3 374.485 0.342 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000648105474 492398801 /nfs/dbraw/zinc/39/88/01/492398801.db2.gz BIWYMQSHFAMHCF-IHRRRGAJSA-N 1 3 358.433 0.338 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980457 492410165 /nfs/dbraw/zinc/41/01/65/492410165.db2.gz DUHOOJHAOKCWRU-HNNXBMFYSA-N 1 3 352.504 0.897 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980458 492410643 /nfs/dbraw/zinc/41/06/43/492410643.db2.gz DUHOOJHAOKCWRU-OAHLLOKOSA-N 1 3 352.504 0.897 20 0 FCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000621844885 492425146 /nfs/dbraw/zinc/42/51/46/492425146.db2.gz YTJKJMKYTVOFEA-RXVVDRJESA-N 1 3 370.497 0.891 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635557994 492472529 /nfs/dbraw/zinc/47/25/29/492472529.db2.gz GJVHIMXRLNYGQE-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000643494316 492481442 /nfs/dbraw/zinc/48/14/42/492481442.db2.gz QIUUZQVHILCFEG-GDBMZVCRSA-N 1 3 366.462 0.053 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000643503477 492483985 /nfs/dbraw/zinc/48/39/85/492483985.db2.gz DKHLBUWGRXATCV-HOTGVXAUSA-N 1 3 350.507 0.907 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000643524378 492490329 /nfs/dbraw/zinc/49/03/29/492490329.db2.gz NUJNSKPPKYSXJC-ZBFHGGJFSA-N 1 3 350.463 0.756 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531827 492491349 /nfs/dbraw/zinc/49/13/49/492491349.db2.gz OXFUIBRWLBMHFA-CGTJXYLNSA-N 1 3 358.486 0.915 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000643580972 492499698 /nfs/dbraw/zinc/49/96/98/492499698.db2.gz ILTIVRCEDGDTND-KRWDZBQOSA-N 1 3 350.507 0.923 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028445 492521134 /nfs/dbraw/zinc/52/11/34/492521134.db2.gz LFCMMPJSRIRRIM-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028693 492521539 /nfs/dbraw/zinc/52/15/39/492521539.db2.gz OTGUKGLILHLKQA-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028444 492521733 /nfs/dbraw/zinc/52/17/33/492521733.db2.gz LFCMMPJSRIRRIM-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000649296012 492524901 /nfs/dbraw/zinc/52/49/01/492524901.db2.gz SCZRKCKAZNDHEE-SFHVURJKSA-N 1 3 374.485 0.840 20 0 FCADHO Cc1coc(CC(=O)N[C@@H](C)C[NH+](C)C)c1C(=O)N[C@@H](C)CN(C)C ZINC000635930022 492530274 /nfs/dbraw/zinc/53/02/74/492530274.db2.gz ZPMDWSSYLHVQEU-KBPBESRZSA-N 1 3 352.479 0.877 20 0 FCADHO Cc1coc(CC(=O)N[C@@H](C)CN(C)C)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000635930022 492530276 /nfs/dbraw/zinc/53/02/76/492530276.db2.gz ZPMDWSSYLHVQEU-KBPBESRZSA-N 1 3 352.479 0.877 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000649357783 492547101 /nfs/dbraw/zinc/54/71/01/492547101.db2.gz JZUCXPCROOJFLN-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000649357783 492547106 /nfs/dbraw/zinc/54/71/06/492547106.db2.gz JZUCXPCROOJFLN-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289639 492576860 /nfs/dbraw/zinc/57/68/60/492576860.db2.gz XQRBOJOROJLBPW-SJORKVTESA-N 1 3 351.491 0.953 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000636289639 492576862 /nfs/dbraw/zinc/57/68/62/492576862.db2.gz XQRBOJOROJLBPW-SJORKVTESA-N 1 3 351.491 0.953 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000656300260 492577063 /nfs/dbraw/zinc/57/70/63/492577063.db2.gz MZYRDHDUGZXHCX-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656300830 492577402 /nfs/dbraw/zinc/57/74/02/492577402.db2.gz DLUIRNBYJKAETE-DLBZAZTESA-N 1 3 366.506 0.347 20 0 FCADHO COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)N(C)C)c1 ZINC000636473403 492595029 /nfs/dbraw/zinc/59/50/29/492595029.db2.gz ZOSBGQBVUWYXFZ-NVXWUHKLSA-N 1 3 350.463 0.664 20 0 FCADHO COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)N(C)C)c1 ZINC000636473403 492595031 /nfs/dbraw/zinc/59/50/31/492595031.db2.gz ZOSBGQBVUWYXFZ-NVXWUHKLSA-N 1 3 350.463 0.664 20 0 FCADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359331 492612979 /nfs/dbraw/zinc/61/29/79/492612979.db2.gz OUEBTLFRKWJBCN-QZTJIDSGSA-N 1 3 371.485 0.863 20 0 FCADHO CN1CCC(CC(=O)N[C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000644062162 492642776 /nfs/dbraw/zinc/64/27/76/492642776.db2.gz BRXBGROFCACKRX-KRWDZBQOSA-N 1 3 368.522 0.044 20 0 FCADHO CN1CCC(CC(=O)NC[C@@H](CO)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000644062162 492642779 /nfs/dbraw/zinc/64/27/79/492642779.db2.gz BRXBGROFCACKRX-KRWDZBQOSA-N 1 3 368.522 0.044 20 0 FCADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629569518 492647763 /nfs/dbraw/zinc/64/77/63/492647763.db2.gz XOWSEIOXQJQIAC-KRWDZBQOSA-N 1 3 354.539 0.659 20 0 FCADHO CCC1(N2CCOCC2)CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000629661748 492662598 /nfs/dbraw/zinc/66/25/98/492662598.db2.gz CGINLLVTDOOMAS-QGZVFWFLSA-N 1 3 352.523 0.761 20 0 FCADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225678 492672760 /nfs/dbraw/zinc/67/27/60/492672760.db2.gz HLNBESPZIIRFFN-GBESFXJTSA-N 1 3 370.497 0.978 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000629794359 492674816 /nfs/dbraw/zinc/67/48/16/492674816.db2.gz TYOLIKQQLOZELG-UHFFFAOYSA-N 1 3 356.417 0.662 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629796784 492676468 /nfs/dbraw/zinc/67/64/68/492676468.db2.gz SNBOSQKXSZABFW-UPJWGTAASA-N 1 3 364.412 0.525 20 0 FCADHO CCN1CCN(CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000644562714 492786136 /nfs/dbraw/zinc/78/61/36/492786136.db2.gz LXPNLJPAYRHACD-QRVBRYPASA-N 1 3 356.555 0.464 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CCO1 ZINC000637868236 492873098 /nfs/dbraw/zinc/87/30/98/492873098.db2.gz WFVAKIKUUHATTH-BLLLJJGKSA-N 1 3 361.446 0.492 20 0 FCADHO O=S(=O)(CCCN1CCCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631935984 492891071 /nfs/dbraw/zinc/89/10/71/492891071.db2.gz PXLPVSIGAJAQHI-ZDUSSCGKSA-N 1 3 372.457 0.228 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000638097167 492904333 /nfs/dbraw/zinc/90/43/33/492904333.db2.gz BLMKEVXTKOXHTK-GOSISDBHSA-N 1 3 374.485 0.332 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638116185 492909439 /nfs/dbraw/zinc/90/94/39/492909439.db2.gz HRBHIXKZDUNYMX-APWZRJJASA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638116185 492909445 /nfs/dbraw/zinc/90/94/45/492909445.db2.gz HRBHIXKZDUNYMX-APWZRJJASA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116185 492909449 /nfs/dbraw/zinc/90/94/49/492909449.db2.gz HRBHIXKZDUNYMX-APWZRJJASA-N 1 3 360.502 0.850 20 0 FCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349288 492939273 /nfs/dbraw/zinc/93/92/73/492939273.db2.gz ZWSRJSFYQFMVIG-ARFHVFGLSA-N 1 3 351.495 0.497 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349561 492939670 /nfs/dbraw/zinc/93/96/70/492939670.db2.gz QCSMXDMBRSLNPR-JKSUJKDBSA-N 1 3 365.522 0.711 20 0 FCADHO CCN1CCN(CCC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000638558726 492960515 /nfs/dbraw/zinc/96/05/15/492960515.db2.gz OJMXHSOXZIHZCI-KGLIPLIRSA-N 1 3 350.429 1.000 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000652644620 492977535 /nfs/dbraw/zinc/97/75/35/492977535.db2.gz DJOOJULLXLFJFD-OAHLLOKOSA-N 1 3 359.474 0.780 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000632369272 492984998 /nfs/dbraw/zinc/98/49/98/492984998.db2.gz NQRFYEGJESTHHO-ZFWWWQNUSA-N 1 3 357.524 0.775 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684082 492989686 /nfs/dbraw/zinc/98/96/86/492989686.db2.gz FJJOXYNXPZJXKF-UXLLHSPISA-N 1 3 366.506 0.332 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105721 493013237 /nfs/dbraw/zinc/01/32/37/493013237.db2.gz FCSSWIXLYXLXBM-ZWKOTPCHSA-N 1 3 358.486 0.978 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000626854950 493038292 /nfs/dbraw/zinc/03/82/92/493038292.db2.gz ONEUYDVQLXPBGP-UHFFFAOYSA-N 1 3 361.490 0.570 20 0 FCADHO Cc1cccc(N2CCN(CCCNC(=O)[C@@H](N)CC[NH+](C)C)CC2)c1 ZINC000653124617 493074497 /nfs/dbraw/zinc/07/44/97/493074497.db2.gz CFLADYQLTDXNJB-IBGZPJMESA-N 1 3 361.534 0.902 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653125092 493075933 /nfs/dbraw/zinc/07/59/33/493075933.db2.gz SKVBZHKWFLWQAL-PXNSSMCTSA-N 1 3 358.486 0.999 20 0 FCADHO CN1CCC(n2cc(NC(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000632961935 493098137 /nfs/dbraw/zinc/09/81/37/493098137.db2.gz WTOUDNJLQWKLPM-KRWDZBQOSA-N 1 3 361.494 0.661 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000633040449 493108484 /nfs/dbraw/zinc/10/84/84/493108484.db2.gz XMQBCTHSIDJFSU-WBVHZDCISA-N 1 3 373.501 0.711 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)c2)CC1 ZINC000633039566 493108792 /nfs/dbraw/zinc/10/87/92/493108792.db2.gz LNYBEDBNOLBAQK-CABCVRRESA-N 1 3 359.474 0.715 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]1CN1CCCCC1 ZINC000627228175 493110945 /nfs/dbraw/zinc/11/09/45/493110945.db2.gz HZXNKAZRJWDNOR-DLBZAZTESA-N 1 3 361.494 0.972 20 0 FCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000633117709 493133331 /nfs/dbraw/zinc/13/33/31/493133331.db2.gz FPQZIBCRMSTKAF-LEUOFYLZSA-N 1 3 356.470 0.667 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000659110846 493158201 /nfs/dbraw/zinc/15/82/01/493158201.db2.gz DJXULMZDLQRMMD-AWEZNQCLSA-N 1 3 364.515 0.941 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627345996 493166621 /nfs/dbraw/zinc/16/66/21/493166621.db2.gz BHQMGUHQOHLOSQ-QWHCGFSZSA-N 1 3 366.428 0.820 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627365080 493180553 /nfs/dbraw/zinc/18/05/53/493180553.db2.gz FFQWCWVMALPWID-DGCLKSJQSA-N 1 3 364.412 0.573 20 0 FCADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641215109 493181521 /nfs/dbraw/zinc/18/15/21/493181521.db2.gz MZWWLJOZUKLUOB-HXUWFJFHSA-N 1 3 372.517 0.737 20 0 FCADHO COCC[C@H]([NH3+])Cc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230803 493185142 /nfs/dbraw/zinc/18/51/42/493185142.db2.gz UUAYYTMIGFGBQA-HKUYNNGSSA-N 1 3 359.474 0.821 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)Nc2ccc(N3CCNCC3)cn2)cnn1C ZINC000659296678 493187418 /nfs/dbraw/zinc/18/74/18/493187418.db2.gz ZUERGBCFRDGSIE-DLBZAZTESA-N 1 3 369.473 0.475 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647303171 493192328 /nfs/dbraw/zinc/19/23/28/493192328.db2.gz LGKUKHWCWWSDLM-AWEZNQCLSA-N 1 3 355.508 0.482 20 0 FCADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000659616518 493221138 /nfs/dbraw/zinc/22/11/38/493221138.db2.gz LPSSJVMEOHLVCP-AGYKMIKPSA-N 1 3 358.486 0.921 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630217 493223889 /nfs/dbraw/zinc/22/38/89/493223889.db2.gz GXOQQHRKBNGBQD-DOMZBBRYSA-N 1 3 360.462 0.799 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630217 493223892 /nfs/dbraw/zinc/22/38/92/493223892.db2.gz GXOQQHRKBNGBQD-DOMZBBRYSA-N 1 3 360.462 0.799 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000666770452 493224248 /nfs/dbraw/zinc/22/42/48/493224248.db2.gz APVUZFUCYJTJKC-MRXNPFEDSA-N 1 3 358.442 0.708 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000666770452 493224253 /nfs/dbraw/zinc/22/42/53/493224253.db2.gz APVUZFUCYJTJKC-MRXNPFEDSA-N 1 3 358.442 0.708 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]2N)cn1 ZINC000659640755 493227177 /nfs/dbraw/zinc/22/71/77/493227177.db2.gz JCAFGZFMJBMZQJ-ZWKOTPCHSA-N 1 3 360.506 0.978 20 0 FCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000666796331 493227950 /nfs/dbraw/zinc/22/79/50/493227950.db2.gz WSKUJJXBTNBDLF-QGZVFWFLSA-N 1 3 373.501 0.583 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000672693429 493233519 /nfs/dbraw/zinc/23/35/19/493233519.db2.gz WKKFGYWFOJYYFL-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000672695471 493234236 /nfs/dbraw/zinc/23/42/36/493234236.db2.gz HLISZMHZDNVDLX-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000672695470 493234926 /nfs/dbraw/zinc/23/49/26/493234926.db2.gz HLISZMHZDNVDLX-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659676175 493246592 /nfs/dbraw/zinc/24/65/92/493246592.db2.gz FPSGSOZCNPLYEE-MRXNPFEDSA-N 1 3 362.474 0.065 20 0 FCADHO O=C(NC1CCN(C2CC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659686505 493252366 /nfs/dbraw/zinc/25/23/66/493252366.db2.gz ZTNPUAOGSZTWKZ-MRXNPFEDSA-N 1 3 362.518 0.968 20 0 FCADHO CCN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659699173 493259955 /nfs/dbraw/zinc/25/99/55/493259955.db2.gz QWVACRFRLKSUHH-SJORKVTESA-N 1 3 367.538 0.106 20 0 FCADHO O=C(NCCC[NH2+]C1CC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659710104 493266843 /nfs/dbraw/zinc/26/68/43/493266843.db2.gz MLLGFDNHRGVSKY-UHFFFAOYSA-N 1 3 373.501 0.668 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659710909 493267285 /nfs/dbraw/zinc/26/72/85/493267285.db2.gz UTPURBBEKGHAKS-QGZVFWFLSA-N 1 3 359.474 0.278 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711609 493267658 /nfs/dbraw/zinc/26/76/58/493267658.db2.gz BJYZTBWIIGECMB-GOSISDBHSA-N 1 3 358.486 0.630 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659721935 493271802 /nfs/dbraw/zinc/27/18/02/493271802.db2.gz LRPLBTLMCOUXDV-GOSISDBHSA-N 1 3 373.501 0.668 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659735035 493278805 /nfs/dbraw/zinc/27/88/05/493278805.db2.gz CITSUUIHWWZHSS-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659738030 493279591 /nfs/dbraw/zinc/27/95/91/493279591.db2.gz YARHFAGVVKMMAY-SQWLQELKSA-N 1 3 352.479 0.084 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000659754151 493286526 /nfs/dbraw/zinc/28/65/26/493286526.db2.gz SRRKYWSBDHCFFD-CYBMUJFWSA-N 1 3 354.882 0.954 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)cn1 ZINC000667597797 493292061 /nfs/dbraw/zinc/29/20/61/493292061.db2.gz HSYURJJFRZCWKC-UHFFFAOYSA-N 1 3 364.494 0.751 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000668302260 493329537 /nfs/dbraw/zinc/32/95/37/493329537.db2.gz CITCCBDTUUMTHO-ZIAGYGMSSA-N 1 3 369.428 0.922 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668546450 493374137 /nfs/dbraw/zinc/37/41/37/493374137.db2.gz ZTZGRKSNHRGLTP-YESZJQIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000668546450 493374139 /nfs/dbraw/zinc/37/41/39/493374139.db2.gz ZTZGRKSNHRGLTP-YESZJQIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668548019 493374148 /nfs/dbraw/zinc/37/41/48/493374148.db2.gz DFWIQYPRCJBVSH-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000668548019 493374149 /nfs/dbraw/zinc/37/41/49/493374149.db2.gz DFWIQYPRCJBVSH-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668546448 493374172 /nfs/dbraw/zinc/37/41/72/493374172.db2.gz ZTZGRKSNHRGLTP-GVDBMIGSSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000668546448 493374173 /nfs/dbraw/zinc/37/41/73/493374173.db2.gz ZTZGRKSNHRGLTP-GVDBMIGSSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+](C)[C@@]1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCSC1 ZINC000660824093 493382311 /nfs/dbraw/zinc/38/23/11/493382311.db2.gz JXQMZXOIUQJEGZ-DOTOQJQBSA-N 1 3 356.536 0.976 20 0 FCADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000661082806 493407922 /nfs/dbraw/zinc/40/79/22/493407922.db2.gz DEXIJEWFHUPRQP-SFHVURJKSA-N 1 3 353.507 0.744 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668796012 493412501 /nfs/dbraw/zinc/41/25/01/493412501.db2.gz IWBFQPJVBVVVIU-SJORKVTESA-N 1 3 366.506 0.347 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000669035300 493455661 /nfs/dbraw/zinc/45/56/61/493455661.db2.gz BYFRHXLSPGFRPK-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661675249 493456861 /nfs/dbraw/zinc/45/68/61/493456861.db2.gz YWSADYPTINHBSC-KRWDZBQOSA-N 1 3 359.474 0.671 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669135306 493467367 /nfs/dbraw/zinc/46/73/67/493467367.db2.gz DSEPTHXFYCVDGV-WMLDXEAASA-N 1 3 350.463 0.885 20 0 FCADHO CCC1(O)CCC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000685252025 493468688 /nfs/dbraw/zinc/46/86/88/493468688.db2.gz UNBBJOIWANSREX-UHFFFAOYSA-N 1 3 356.511 0.138 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000669251726 493483229 /nfs/dbraw/zinc/48/32/29/493483229.db2.gz YOKNOJRFVCUPDP-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000669251726 493483231 /nfs/dbraw/zinc/48/32/31/493483231.db2.gz YOKNOJRFVCUPDP-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251730 493483787 /nfs/dbraw/zinc/48/37/87/493483787.db2.gz YOKNOJRFVCUPDP-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251730 493483791 /nfs/dbraw/zinc/48/37/91/493483791.db2.gz YOKNOJRFVCUPDP-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000669452517 493504382 /nfs/dbraw/zinc/50/43/82/493504382.db2.gz HIMLSUWOSIXXDL-QGZVFWFLSA-N 1 3 361.490 0.919 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669462500 493505155 /nfs/dbraw/zinc/50/51/55/493505155.db2.gz QHJWDHQJUSYQLV-MAUKXSAKSA-N 1 3 364.490 0.927 20 0 FCADHO O=C1CCC(=O)N1CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338934 493507672 /nfs/dbraw/zinc/50/76/72/493507672.db2.gz XGGWODVPUGBGJV-AWEZNQCLSA-N 1 3 360.462 0.148 20 0 FCADHO C[C@H]1CN(CCN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338478 493507987 /nfs/dbraw/zinc/50/79/87/493507987.db2.gz SASAQAYKUXIJRN-DLBZAZTESA-N 1 3 362.522 0.719 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC[NH+](C)CC1 ZINC000675994314 493516662 /nfs/dbraw/zinc/51/66/62/493516662.db2.gz ABNRCCWGNBFPEB-RDJZCZTQSA-N 1 3 365.522 0.665 20 0 FCADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000662462855 493517743 /nfs/dbraw/zinc/51/77/43/493517743.db2.gz OYERRJTVSVBEBT-IEBWSBKVSA-N 1 3 358.486 0.744 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cnn1C ZINC000662462276 493518003 /nfs/dbraw/zinc/51/80/03/493518003.db2.gz KJKBTPUWJBJZFF-YTQUADARSA-N 1 3 374.533 0.270 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755537 493539200 /nfs/dbraw/zinc/53/92/00/493539200.db2.gz CYWZHUSVPFWKAC-CEXWTWQISA-N 1 3 360.502 0.845 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757739 493539530 /nfs/dbraw/zinc/53/95/30/493539530.db2.gz LZPQDPYRTXQDCY-RTBURBONSA-N 1 3 360.502 0.804 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662755498 493539581 /nfs/dbraw/zinc/53/95/81/493539581.db2.gz CFOJIKNKILHBEW-RTBURBONSA-N 1 3 360.502 0.804 20 0 FCADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000662758781 493540018 /nfs/dbraw/zinc/54/00/18/493540018.db2.gz TUJDNNADCIZWAU-RBUKOAKNSA-N 1 3 360.502 0.674 20 0 FCADHO CC1(C)NC(=O)CC[C@@H]1NCC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)COC1 ZINC000670101963 493545328 /nfs/dbraw/zinc/54/53/28/493545328.db2.gz HZJDDRQNIAGPFK-KBPBESRZSA-N 1 3 366.506 0.297 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662858482 493547336 /nfs/dbraw/zinc/54/73/36/493547336.db2.gz IUWOBKKZCWLURS-KRWDZBQOSA-N 1 3 369.473 0.850 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662972179 493562595 /nfs/dbraw/zinc/56/25/95/493562595.db2.gz ANUSNDSQVUHSFY-MOPGFXCFSA-N 1 3 372.513 0.972 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1F ZINC000663609060 493603597 /nfs/dbraw/zinc/60/35/97/493603597.db2.gz QARUCWDLKGHFNF-KRWDZBQOSA-N 1 3 352.410 0.573 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104571 493634990 /nfs/dbraw/zinc/63/49/90/493634990.db2.gz WEPMBMPKUBKBLT-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104571 493634991 /nfs/dbraw/zinc/63/49/91/493634991.db2.gz WEPMBMPKUBKBLT-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108379 493636387 /nfs/dbraw/zinc/63/63/87/493636387.db2.gz XTPUUIWRUAQBTC-TWMKSMIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108379 493636391 /nfs/dbraw/zinc/63/63/91/493636391.db2.gz XTPUUIWRUAQBTC-TWMKSMIVSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170697 493645020 /nfs/dbraw/zinc/64/50/20/493645020.db2.gz DXHYJMYBGBCZPU-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@@H]1O ZINC000664625351 493673325 /nfs/dbraw/zinc/67/33/25/493673325.db2.gz MTPOXKULMYVNFE-SQNIBIBYSA-N 1 3 362.474 0.070 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H]1O ZINC000664625351 493673326 /nfs/dbraw/zinc/67/33/26/493673326.db2.gz MTPOXKULMYVNFE-SQNIBIBYSA-N 1 3 362.474 0.070 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556079 493723383 /nfs/dbraw/zinc/72/33/83/493723383.db2.gz QJKXWOMSLANYDO-HOTGVXAUSA-N 1 3 365.522 0.807 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556079 493723386 /nfs/dbraw/zinc/72/33/86/493723386.db2.gz QJKXWOMSLANYDO-HOTGVXAUSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCCC12CCN(C)CC2)C1CC[NH+](C)CC1 ZINC000672010081 493723958 /nfs/dbraw/zinc/72/39/58/493723958.db2.gz UBJRNQYJQBGFSZ-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672305056 493751869 /nfs/dbraw/zinc/75/18/69/493751869.db2.gz YQBNNMMPAUUDOA-QGZVFWFLSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000672305813 493752008 /nfs/dbraw/zinc/75/20/08/493752008.db2.gz FCQFXXIHSLVKLC-MSOLQXFVSA-N 1 3 362.518 0.777 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310089 493753967 /nfs/dbraw/zinc/75/39/67/493753967.db2.gz GKBJMKITNJELDD-HOTGVXAUSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310089 493753968 /nfs/dbraw/zinc/75/39/68/493753968.db2.gz GKBJMKITNJELDD-HOTGVXAUSA-N 1 3 350.507 0.824 20 0 FCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311972 493755111 /nfs/dbraw/zinc/75/51/11/493755111.db2.gz XMRKAKQMUZATNS-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311972 493755114 /nfs/dbraw/zinc/75/51/14/493755114.db2.gz XMRKAKQMUZATNS-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312509 493755406 /nfs/dbraw/zinc/75/54/06/493755406.db2.gz UQHJQSWWLXXAAU-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423595305 536466428 /nfs/dbraw/zinc/46/64/28/536466428.db2.gz PSHVLWSGLGXSCD-OAHLLOKOSA-N 1 3 350.463 0.770 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419444217 536496885 /nfs/dbraw/zinc/49/68/85/536496885.db2.gz CDEYZGCGTBOKPZ-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO CC[N@H+](CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000413233080 528492260 /nfs/dbraw/zinc/49/22/60/528492260.db2.gz UTZPHBBUOGVPOH-UHFFFAOYSA-N 1 3 367.538 0.567 20 0 FCADHO CC[N@@H+](CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000413233080 528492267 /nfs/dbraw/zinc/49/22/67/528492267.db2.gz UTZPHBBUOGVPOH-UHFFFAOYSA-N 1 3 367.538 0.567 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000411030771 529073647 /nfs/dbraw/zinc/07/36/47/529073647.db2.gz RUGXUDYUTJUGOW-ULQDDVLXSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000411030771 529073650 /nfs/dbraw/zinc/07/36/50/529073650.db2.gz RUGXUDYUTJUGOW-ULQDDVLXSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419695577 535073370 /nfs/dbraw/zinc/07/33/70/535073370.db2.gz LAHDWQDVRZPFFK-HOTGVXAUSA-N 1 3 354.495 0.189 20 0 FCADHO CCCN(C(=O)C(=O)NCC1(N2CCCC2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419692301 535189876 /nfs/dbraw/zinc/18/98/76/535189876.db2.gz XVXLMGLRHVFBRP-MRXNPFEDSA-N 1 3 366.506 0.348 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419156173 535462793 /nfs/dbraw/zinc/46/27/93/535462793.db2.gz VAXWYFXTXXINDP-AWEZNQCLSA-N 1 3 352.504 0.802 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415363564 535463871 /nfs/dbraw/zinc/46/38/71/535463871.db2.gz DQFMFYUVQRTTDL-UHFFFAOYSA-N 1 3 356.854 0.945 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419370464 535668941 /nfs/dbraw/zinc/66/89/41/535668941.db2.gz JPIIJHDKUBSJKE-OTWHNJEPSA-N 1 3 372.513 0.734 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)c2)CC1 ZINC000415361407 535749321 /nfs/dbraw/zinc/74/93/21/535749321.db2.gz NBDLYIYYRPPVCG-KRWDZBQOSA-N 1 3 373.501 0.977 20 0 FCADHO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000419667632 535839395 /nfs/dbraw/zinc/83/93/95/535839395.db2.gz XLFWYTNWRXCKBY-MRXNPFEDSA-N 1 3 362.474 0.583 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423364104 535868149 /nfs/dbraw/zinc/86/81/49/535868149.db2.gz JLSRYEIUYHBKQQ-KRWDZBQOSA-N 1 3 352.504 0.836 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000419218624 535903743 /nfs/dbraw/zinc/90/37/43/535903743.db2.gz SKVWDNVRLYRCOU-MRXNPFEDSA-N 1 3 362.474 0.583 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1F ZINC000415303274 535905195 /nfs/dbraw/zinc/90/51/95/535905195.db2.gz OBRLOYGPNLZORN-UHFFFAOYSA-N 1 3 366.437 0.902 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580013 536141641 /nfs/dbraw/zinc/14/16/41/536141641.db2.gz HWNQVGFWIRQLJR-PBHICJAKSA-N 1 3 356.536 0.564 20 0 FCADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435618706 536306923 /nfs/dbraw/zinc/30/69/23/536306923.db2.gz ZTXHBMZWASYMGZ-CQSZACIVSA-N 1 3 354.476 0.737 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000419786858 536481479 /nfs/dbraw/zinc/48/14/79/536481479.db2.gz ZJDDBOYCOHPHIU-ROUUACIJSA-N 1 3 358.486 0.881 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419752182 536746382 /nfs/dbraw/zinc/74/63/82/536746382.db2.gz LTBMHAVUGDEXJL-GOEBONIOSA-N 1 3 368.522 0.578 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419756480 536747564 /nfs/dbraw/zinc/74/75/64/536747564.db2.gz SGNCZOHVNFWMNN-INIZCTEOSA-N 1 3 368.522 0.626 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419673298 536780283 /nfs/dbraw/zinc/78/02/83/536780283.db2.gz HCWMZGWOPPXOAU-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO Cc1cc(S(N)(=O)=O)cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000126173319 546545125 /nfs/dbraw/zinc/54/51/25/546545125.db2.gz HFRDYXYBQZNVMM-UHFFFAOYSA-N 1 3 370.519 0.516 20 0 FCADHO CCOC(=O)[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000594335945 546785101 /nfs/dbraw/zinc/78/51/01/546785101.db2.gz YXLNKDVDLPJLFQ-MRXNPFEDSA-N 1 3 355.479 0.223 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000550840845 547110858 /nfs/dbraw/zinc/11/08/58/547110858.db2.gz VNQCTZOLXKIFLP-GOSISDBHSA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839284 547111366 /nfs/dbraw/zinc/11/13/66/547111366.db2.gz XFRWVAXCZVULBA-MAUKXSAKSA-N 1 3 368.547 0.627 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000550946725 547117237 /nfs/dbraw/zinc/11/72/37/547117237.db2.gz XSYZIKOSAVZGQG-MRXNPFEDSA-N 1 3 354.495 0.015 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551214906 547134653 /nfs/dbraw/zinc/13/46/53/547134653.db2.gz IPIUEMVUZSDVSS-RHSMWYFYSA-N 1 3 356.536 0.531 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000552364057 547205160 /nfs/dbraw/zinc/20/51/60/547205160.db2.gz UBCNKMBHNMQVDN-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000552364057 547205165 /nfs/dbraw/zinc/20/51/65/547205165.db2.gz UBCNKMBHNMQVDN-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356761 547337547 /nfs/dbraw/zinc/33/75/47/547337547.db2.gz WFSRYXHSJOVMKG-ULQDDVLXSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356761 547337549 /nfs/dbraw/zinc/33/75/49/547337549.db2.gz WFSRYXHSJOVMKG-ULQDDVLXSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000949244829 674398194 /nfs/dbraw/zinc/39/81/94/674398194.db2.gz AHWWXRGROWWNFN-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000949244829 674398197 /nfs/dbraw/zinc/39/81/97/674398197.db2.gz AHWWXRGROWWNFN-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025522 598522329 /nfs/dbraw/zinc/52/23/29/598522329.db2.gz LQDOBVNCZGEIMM-KBPBESRZSA-N 1 3 359.482 0.817 20 0 FCADHO CCC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736481804 598531001 /nfs/dbraw/zinc/53/10/01/598531001.db2.gz YKPBIWRFCAVGPD-AWEZNQCLSA-N 1 3 359.482 0.817 20 0 FCADHO CCC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736481804 598531004 /nfs/dbraw/zinc/53/10/04/598531004.db2.gz YKPBIWRFCAVGPD-AWEZNQCLSA-N 1 3 359.482 0.817 20 0 FCADHO CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231686 665933186 /nfs/dbraw/zinc/93/31/86/665933186.db2.gz XBYWNZAMFXVRGU-DLBZAZTESA-N 1 3 352.523 0.772 20 0 FCADHO CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231686 665933187 /nfs/dbraw/zinc/93/31/87/665933187.db2.gz XBYWNZAMFXVRGU-DLBZAZTESA-N 1 3 352.523 0.772 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891513455 663410819 /nfs/dbraw/zinc/41/08/19/663410819.db2.gz CIPGULPBMJUUHN-OWCLPIDISA-N 1 3 352.479 0.308 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538129 663412850 /nfs/dbraw/zinc/41/28/50/663412850.db2.gz QFYDIBRNTZVVEQ-CVEARBPZSA-N 1 3 354.495 0.555 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538130 663412957 /nfs/dbraw/zinc/41/29/57/663412957.db2.gz QFYDIBRNTZVVEQ-HOTGVXAUSA-N 1 3 354.495 0.555 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]1 ZINC000892096932 663475605 /nfs/dbraw/zinc/47/56/05/663475605.db2.gz KJSIXSDEASKMQC-HUUCEWRRSA-N 1 3 351.495 0.642 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1)Cc1ccco1 ZINC000926413563 663514049 /nfs/dbraw/zinc/51/40/49/663514049.db2.gz HJRLZVMRYZIRHQ-HNNXBMFYSA-N 1 3 350.463 0.757 20 0 FCADHO C[C@@H]1CC[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C[NH2+]1 ZINC000892292288 663523049 /nfs/dbraw/zinc/52/30/49/663523049.db2.gz AEFJGMKDSUVJMN-CABCVRRESA-N 1 3 351.495 0.642 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892336037 663574669 /nfs/dbraw/zinc/57/46/69/663574669.db2.gz YKNSQCPOSRGQBJ-SJORKVTESA-N 1 3 354.495 0.338 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1)N(C)C ZINC000972670844 663809434 /nfs/dbraw/zinc/80/94/34/663809434.db2.gz CUOOCADGJKTCAV-TWMKSMIVSA-N 1 3 352.523 0.972 20 0 FCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000892651526 664059160 /nfs/dbraw/zinc/05/91/60/664059160.db2.gz ZLLQHGCBUOYTJY-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000892651526 664059163 /nfs/dbraw/zinc/05/91/63/664059163.db2.gz ZLLQHGCBUOYTJY-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000892923469 664154869 /nfs/dbraw/zinc/15/48/69/664154869.db2.gz QXFSRMUEPLDTCX-UHFFFAOYSA-N 1 3 351.495 0.550 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000974185713 664226812 /nfs/dbraw/zinc/22/68/12/664226812.db2.gz RFYCTIRNYYSHNN-LVQVYYBASA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000974185713 664226814 /nfs/dbraw/zinc/22/68/14/664226814.db2.gz RFYCTIRNYYSHNN-LVQVYYBASA-N 1 3 350.507 0.822 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CCO)CC2(C)C)CC1 ZINC000974597028 664267683 /nfs/dbraw/zinc/26/76/83/664267683.db2.gz PUDHXNOOPHRRPR-ZACQAIPSSA-N 1 3 353.507 0.552 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C[C@H]21)[NH+](C)C ZINC000975039748 664300410 /nfs/dbraw/zinc/30/04/10/664300410.db2.gz KNYLTDHUGWJSJU-QBPKDAKJSA-N 1 3 350.507 0.726 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000985439716 665167318 /nfs/dbraw/zinc/16/73/18/665167318.db2.gz DUOJLFPHZKCTBP-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000985439716 665167320 /nfs/dbraw/zinc/16/73/20/665167320.db2.gz DUOJLFPHZKCTBP-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000888169351 665284920 /nfs/dbraw/zinc/28/49/20/665284920.db2.gz HNDPEGRIPHFEAK-HZPDHXFCSA-N 1 3 353.511 0.868 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000888169351 665284922 /nfs/dbraw/zinc/28/49/22/665284922.db2.gz HNDPEGRIPHFEAK-HZPDHXFCSA-N 1 3 353.511 0.868 20 0 FCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000897488216 665293831 /nfs/dbraw/zinc/29/38/31/665293831.db2.gz YBAUOSFUXSKPSW-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000897488216 665293832 /nfs/dbraw/zinc/29/38/32/665293832.db2.gz YBAUOSFUXSKPSW-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000938043293 665313296 /nfs/dbraw/zinc/31/32/96/665313296.db2.gz HKAHJBWLWKFEEX-BHYGNILZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000938043293 665313298 /nfs/dbraw/zinc/31/32/98/665313298.db2.gz HKAHJBWLWKFEEX-BHYGNILZSA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000906561099 666056101 /nfs/dbraw/zinc/05/61/01/666056101.db2.gz TYUFGEHBEYIRTP-KRWDZBQOSA-N 1 3 350.507 0.875 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000906561099 666056104 /nfs/dbraw/zinc/05/61/04/666056104.db2.gz TYUFGEHBEYIRTP-KRWDZBQOSA-N 1 3 350.507 0.875 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000906696888 666063965 /nfs/dbraw/zinc/06/39/65/666063965.db2.gz JYVXVUHLQJWNAH-UHFFFAOYSA-N 1 3 362.499 0.824 20 0 FCADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccnn2CCN(C)C)CC1 ZINC000912586132 666458995 /nfs/dbraw/zinc/45/89/95/666458995.db2.gz MXBSMRXNCQBRHM-UHFFFAOYSA-N 1 3 351.495 0.657 20 0 FCADHO C[NH+](C)C1CCN(CCN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC1 ZINC000925337607 666523869 /nfs/dbraw/zinc/52/38/69/666523869.db2.gz IXLBBPZJHDGBJK-INIZCTEOSA-N 1 3 351.495 0.419 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000940770526 666560615 /nfs/dbraw/zinc/56/06/15/666560615.db2.gz SIHMQUUUJDIPGU-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000940770526 666560619 /nfs/dbraw/zinc/56/06/19/666560619.db2.gz SIHMQUUUJDIPGU-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3(C)OCCO3)CC2)CC1 ZINC000185618819 666870814 /nfs/dbraw/zinc/87/08/14/666870814.db2.gz AXPGXCMSEKXFFO-UHFFFAOYSA-N 1 3 354.495 0.997 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCO[C@@H]3CCOC3)CC2)CC1 ZINC000915501057 666872941 /nfs/dbraw/zinc/87/29/41/666872941.db2.gz YIPVBTREKUCSRD-QGZVFWFLSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)CC[N@@H+]1C ZINC000996776402 666978797 /nfs/dbraw/zinc/97/87/97/666978797.db2.gz MQMGLLBKSWZEFX-AQEOSJORSA-N 1 3 352.523 0.364 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)CC[N@H+]1C ZINC000996776402 666978801 /nfs/dbraw/zinc/97/88/01/666978801.db2.gz MQMGLLBKSWZEFX-AQEOSJORSA-N 1 3 352.523 0.364 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961664669 674785094 /nfs/dbraw/zinc/78/50/94/674785094.db2.gz FMFZIYRQSKRLHH-UUAJXVIYSA-N 1 3 350.507 0.584 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961664669 674785097 /nfs/dbraw/zinc/78/50/97/674785097.db2.gz FMFZIYRQSKRLHH-UUAJXVIYSA-N 1 3 350.507 0.584 20 0 FCADHO C[C@@H]1CCO[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000997014169 667065383 /nfs/dbraw/zinc/06/53/83/667065383.db2.gz VHUMSUQJZJZPFZ-YCPHGPKFSA-N 1 3 358.504 0.817 20 0 FCADHO CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679185 667259910 /nfs/dbraw/zinc/25/99/10/667259910.db2.gz LJXIAEFPLLPVOZ-QGTPRVQTSA-N 1 3 353.507 0.816 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC001002245181 667526076 /nfs/dbraw/zinc/52/60/76/667526076.db2.gz AWWMBYIYXHUKRU-GDBMZVCRSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC001002245181 667526081 /nfs/dbraw/zinc/52/60/81/667526081.db2.gz AWWMBYIYXHUKRU-GDBMZVCRSA-N 1 3 350.507 0.633 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423379328 667603671 /nfs/dbraw/zinc/60/36/71/667603671.db2.gz XEPWYZJZDOLYTK-GOSISDBHSA-N 1 3 364.515 0.993 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001036603962 667791811 /nfs/dbraw/zinc/79/18/11/667791811.db2.gz VSGDETWYCWVPDJ-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001036603962 667791814 /nfs/dbraw/zinc/79/18/14/667791814.db2.gz VSGDETWYCWVPDJ-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)N1CCO[C@@H](CN2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326780 667825666 /nfs/dbraw/zinc/82/56/66/667825666.db2.gz KCPZKAYIEARQHR-ROUUACIJSA-N 1 3 352.523 0.092 20 0 FCADHO CC(C)N1CCO[C@H](CN2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326779 667825706 /nfs/dbraw/zinc/82/57/06/667825706.db2.gz KCPZKAYIEARQHR-QZTJIDSGSA-N 1 3 352.523 0.092 20 0 FCADHO Cc1ccccc1CN1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923590924 667853721 /nfs/dbraw/zinc/85/37/21/667853721.db2.gz IBQWRKSBDZNLKG-UHFFFAOYSA-N 1 3 352.504 0.699 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)n1 ZINC000784392545 668654586 /nfs/dbraw/zinc/65/45/86/668654586.db2.gz IKULRPQUOMACCQ-UHFFFAOYSA-N 1 3 371.869 0.634 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCCCC1 ZINC000788252022 668821490 /nfs/dbraw/zinc/82/14/90/668821490.db2.gz NLAYBJIKJHCHEQ-RHSMWYFYSA-N 1 3 356.536 0.531 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362930 670806958 /nfs/dbraw/zinc/80/69/58/670806958.db2.gz VIUDKVBIKSIWMR-OLZOCXBDSA-N 1 3 351.451 0.332 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000968016311 675178573 /nfs/dbraw/zinc/17/85/73/675178573.db2.gz WZACKDUZHHUGGH-ZMSDIMECSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000968016311 675178576 /nfs/dbraw/zinc/17/85/76/675178576.db2.gz WZACKDUZHHUGGH-ZMSDIMECSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@@H](C)C(=O)N(C)C)C[C@H]3C2)CC[N@@H+]1C ZINC001048829864 675899507 /nfs/dbraw/zinc/89/95/07/675899507.db2.gz AHGAHKURZOABJK-ZOFXXKQRSA-N 1 3 350.507 0.584 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@@H](C)C(=O)N(C)C)C[C@H]3C2)CC[N@H+]1C ZINC001048829864 675899508 /nfs/dbraw/zinc/89/95/08/675899508.db2.gz AHGAHKURZOABJK-ZOFXXKQRSA-N 1 3 350.507 0.584 20 0 FCADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000853347847 671546699 /nfs/dbraw/zinc/54/66/99/671546699.db2.gz RSUVFKQMRQTFDK-HOTGVXAUSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000853347847 671546700 /nfs/dbraw/zinc/54/67/00/671546700.db2.gz RSUVFKQMRQTFDK-HOTGVXAUSA-N 1 3 355.527 0.768 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOC(=O)N(C)C)CC2)CC1 ZINC000855646614 671657299 /nfs/dbraw/zinc/65/72/99/671657299.db2.gz VGFXXBOOTFSIBS-UHFFFAOYSA-N 1 3 354.495 0.997 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000863754742 672150028 /nfs/dbraw/zinc/15/00/28/672150028.db2.gz VOOOAVBLWVSVJM-GFCCVEGCSA-N 1 3 356.417 0.661 20 0 FCADHO CN(C)CC[NH+]1CCC(CNCc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865451171 672243191 /nfs/dbraw/zinc/24/31/91/672243191.db2.gz KBQYFHAIKDBYMI-SFHVURJKSA-N 1 3 350.511 0.820 20 0 FCADHO O=S(=O)(NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCNCC1 ZINC000923607900 672426025 /nfs/dbraw/zinc/42/60/25/672426025.db2.gz KFCLVOHCMDVSQA-UHFFFAOYSA-N 1 3 368.503 0.401 20 0 FCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524146 676085526 /nfs/dbraw/zinc/08/55/26/676085526.db2.gz UOQIIPRIGONFIS-ARFHVFGLSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524146 676085527 /nfs/dbraw/zinc/08/55/27/676085527.db2.gz UOQIIPRIGONFIS-ARFHVFGLSA-N 1 3 350.507 0.905 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)N1CCC(C)CC1 ZINC000884502687 673457784 /nfs/dbraw/zinc/45/77/84/673457784.db2.gz QBGOYIVUDPCKDC-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000884576176 673463315 /nfs/dbraw/zinc/46/33/15/673463315.db2.gz BKBHGEZIMFDPQI-QFBILLFUSA-N 1 3 350.507 0.827 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000884576598 673463630 /nfs/dbraw/zinc/46/36/30/673463630.db2.gz LDNMDLSSCVQQNP-UPJWGTAASA-N 1 3 364.412 0.430 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884587534 673464168 /nfs/dbraw/zinc/46/41/68/673464168.db2.gz KYNCYPWPTZKUDF-SFHVURJKSA-N 1 3 354.495 0.063 20 0 FCADHO CCC[NH+]1CCC(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000888027993 673664352 /nfs/dbraw/zinc/66/43/52/673664352.db2.gz OGNPHNTWPXPISZ-HNNXBMFYSA-N 1 3 353.511 0.870 20 0 FCADHO COCCC[NH+]1CCC(N2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC1 ZINC000924581955 673758896 /nfs/dbraw/zinc/75/88/96/673758896.db2.gz OCPBQEBQHDSPJX-INIZCTEOSA-N 1 3 352.479 0.894 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354767 673788856 /nfs/dbraw/zinc/78/88/56/673788856.db2.gz LIQBSKDPKJCGME-HUUCEWRRSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000925354767 673788858 /nfs/dbraw/zinc/78/88/58/673788858.db2.gz LIQBSKDPKJCGME-HUUCEWRRSA-N 1 3 351.495 0.594 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC001011211560 675377393 /nfs/dbraw/zinc/37/73/93/675377393.db2.gz AOWSWWTZAFLPOB-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC001011211560 675377395 /nfs/dbraw/zinc/37/73/95/675377395.db2.gz AOWSWWTZAFLPOB-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294629 1169693315 /nfs/dbraw/zinc/69/33/15/1169693315.db2.gz UOJZGBIWSPYDMC-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104294664 1169695648 /nfs/dbraw/zinc/69/56/48/1169695648.db2.gz WVHJHYVMVYUXGV-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704399 1169899632 /nfs/dbraw/zinc/89/96/32/1169899632.db2.gz QKAVBHDBWVGGGE-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704399 1169899633 /nfs/dbraw/zinc/89/96/33/1169899633.db2.gz QKAVBHDBWVGGGE-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21)C1CCC1 ZINC001021941451 1170328132 /nfs/dbraw/zinc/32/81/32/1170328132.db2.gz MDQUTTWXYAGPMC-KVSKMBFKSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC001021941673 1170330624 /nfs/dbraw/zinc/33/06/24/1170330624.db2.gz QJTSVBKIJRKAFM-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC001021941673 1170330628 /nfs/dbraw/zinc/33/06/28/1170330628.db2.gz QJTSVBKIJRKAFM-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001022037908 1170460068 /nfs/dbraw/zinc/46/00/68/1170460068.db2.gz DXLAHDRNURZQQS-KSZLIROESA-N 1 3 362.518 0.728 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)cn1 ZINC001083221000 1170583651 /nfs/dbraw/zinc/58/36/51/1170583651.db2.gz FJYMALQELNXPRB-ZWKOTPCHSA-N 1 3 361.490 0.770 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022219213 1170765990 /nfs/dbraw/zinc/76/59/90/1170765990.db2.gz LQQAGFFOGANPRA-IXDOHACOSA-N 1 3 360.502 0.483 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001691378838 1171237009 /nfs/dbraw/zinc/23/70/09/1171237009.db2.gz RBROZMGQSWBFRC-ILXRZTDVSA-N 1 3 369.510 0.389 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001691384353 1171249917 /nfs/dbraw/zinc/24/99/17/1171249917.db2.gz NOVLJUIXLLSHQX-CABCVRRESA-N 1 3 369.510 0.389 20 0 FCADHO NC(=O)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000891999355 1171457562 /nfs/dbraw/zinc/45/75/62/1171457562.db2.gz BLPOZFDEZBFHBM-QWHCGFSZSA-N 1 3 371.489 0.873 20 0 FCADHO NC(=O)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000891999355 1171457574 /nfs/dbraw/zinc/45/75/74/1171457574.db2.gz BLPOZFDEZBFHBM-QWHCGFSZSA-N 1 3 371.489 0.873 20 0 FCADHO CC1(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]CC1 ZINC000892058468 1171539947 /nfs/dbraw/zinc/53/99/47/1171539947.db2.gz ZFADBTHEPTYSRI-UHFFFAOYSA-N 1 3 365.522 0.892 20 0 FCADHO CO[C@@H](CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CCC1 ZINC001083249499 1172019582 /nfs/dbraw/zinc/01/95/82/1172019582.db2.gz HXZAQRAVUCIKBQ-OKZBNKHCSA-N 1 3 363.502 0.809 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@@H+]1C ZINC001022843555 1172053535 /nfs/dbraw/zinc/05/35/35/1172053535.db2.gz QGPXVDSIUOXVBK-QMCVQRASSA-N 1 3 359.474 0.742 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@H+]1C ZINC001022843555 1172053547 /nfs/dbraw/zinc/05/35/47/1172053547.db2.gz QGPXVDSIUOXVBK-QMCVQRASSA-N 1 3 359.474 0.742 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001022845839 1172055447 /nfs/dbraw/zinc/05/54/47/1172055447.db2.gz DCWHPTIJNHDDII-DOTOQJQBSA-N 1 3 371.485 0.888 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000972423118 1172116949 /nfs/dbraw/zinc/11/69/49/1172116949.db2.gz LPPLRJBZLVMAGD-JOCBIADPSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC000972423118 1172116959 /nfs/dbraw/zinc/11/69/59/1172116959.db2.gz LPPLRJBZLVMAGD-JOCBIADPSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000898005884 1192853662 /nfs/dbraw/zinc/85/36/62/1192853662.db2.gz KVDNNSFZTLMYMB-VKJFTORMSA-N 1 3 371.485 0.718 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001023377595 1179492820 /nfs/dbraw/zinc/49/28/20/1179492820.db2.gz QVGWMOJLAACGEX-OWCLPIDISA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001023377595 1179492848 /nfs/dbraw/zinc/49/28/48/1179492848.db2.gz QVGWMOJLAACGEX-OWCLPIDISA-N 1 3 364.490 0.304 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389538 1180211285 /nfs/dbraw/zinc/21/12/85/1180211285.db2.gz NMMBHIBYUVVWKZ-CVEARBPZSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892517622 1181697636 /nfs/dbraw/zinc/69/76/36/1181697636.db2.gz ADZLTFPZBOGPNU-QGZVFWFLSA-N 1 3 357.462 0.962 20 0 FCADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892517622 1181697644 /nfs/dbraw/zinc/69/76/44/1181697644.db2.gz ADZLTFPZBOGPNU-QGZVFWFLSA-N 1 3 357.462 0.962 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892648121 1182000155 /nfs/dbraw/zinc/00/01/55/1182000155.db2.gz CAZWXYSDWISWMF-TXPKVOOTSA-N 1 3 365.522 0.522 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892648121 1182000162 /nfs/dbraw/zinc/00/01/62/1182000162.db2.gz CAZWXYSDWISWMF-TXPKVOOTSA-N 1 3 365.522 0.522 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892648103 1182000387 /nfs/dbraw/zinc/00/03/87/1182000387.db2.gz BPOZMCFCXOTCIS-INIZCTEOSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892648104 1182000558 /nfs/dbraw/zinc/00/05/58/1182000558.db2.gz BPOZMCFCXOTCIS-MRXNPFEDSA-N 1 3 365.522 0.809 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001104691891 1182371993 /nfs/dbraw/zinc/37/19/93/1182371993.db2.gz YVSGRUVGMKHTFI-OAGGEKHMSA-N 1 3 366.506 0.550 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768349 1182490757 /nfs/dbraw/zinc/49/07/57/1182490757.db2.gz GSQHNDMZEVYXSL-QGZVFWFLSA-N 1 3 367.538 0.424 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC000974583215 1183362655 /nfs/dbraw/zinc/36/26/55/1183362655.db2.gz HAAIRTRXVLVNEP-ZACQAIPSSA-N 1 3 362.518 0.728 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001211662198 1183836074 /nfs/dbraw/zinc/83/60/74/1183836074.db2.gz VQZSMQJZRIEGKO-OKZBNKHCSA-N 1 3 370.497 0.801 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)N(C)C ZINC000975822432 1185818888 /nfs/dbraw/zinc/81/88/88/1185818888.db2.gz SPYGAMNSIGMPQQ-BBWFWOEESA-N 1 3 362.518 0.872 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccco1 ZINC000423723858 1186043965 /nfs/dbraw/zinc/04/39/65/1186043965.db2.gz HONOXONVSYXSFJ-LJQANCHMSA-N 1 3 362.474 0.914 20 0 FCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529557 1186079314 /nfs/dbraw/zinc/07/93/14/1186079314.db2.gz FTBHGHSFLTZBRC-JVPBZIDWSA-N 1 3 368.497 0.903 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112529795 1186093075 /nfs/dbraw/zinc/09/30/75/1186093075.db2.gz PPPAOZBOYHLXCD-AOIWGVFYSA-N 1 3 360.506 0.981 20 0 FCADHO CN1CCC(NC(=O)c2noc3c2CN(C(=O)CC[NH+](C)C)CC3)CC1 ZINC001270061300 1187985257 /nfs/dbraw/zinc/98/52/57/1187985257.db2.gz LJRDXCYCNYCLLO-UHFFFAOYSA-N 1 3 363.462 0.335 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)N1CCCC1 ZINC001270491751 1188172009 /nfs/dbraw/zinc/17/20/09/1188172009.db2.gz XLEWSCBUQMTSDG-DNVCBOLYSA-N 1 3 364.490 0.400 20 0 FCADHO O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)NCC1CC1 ZINC001112536040 1188349153 /nfs/dbraw/zinc/34/91/53/1188349153.db2.gz NEYGRGBRRIJXMC-KXBFYZLASA-N 1 3 359.474 0.697 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409827 1188356707 /nfs/dbraw/zinc/35/67/07/1188356707.db2.gz BNVXEIMUMZXYQW-RBUKOAKNSA-N 1 3 372.513 0.972 20 0 FCADHO CC(C)(O)CN1CCC([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000895686313 1189874089 /nfs/dbraw/zinc/87/40/89/1189874089.db2.gz RCILHPLYWGNBJI-LJQANCHMSA-N 1 3 368.566 0.608 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1)N(C)C ZINC000986424238 1190986727 /nfs/dbraw/zinc/98/67/27/1190986727.db2.gz JBMQIPKOEXGUTF-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986428840 1190988169 /nfs/dbraw/zinc/98/81/69/1190988169.db2.gz RXXQSANDGLHIRS-CABCVRRESA-N 1 3 357.458 0.355 20 0 FCADHO COCCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532618290 1191200318 /nfs/dbraw/zinc/20/03/18/1191200318.db2.gz MRXRLQODQPPAQX-MSOLQXFVSA-N 1 3 368.522 0.774 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582213 1193734218 /nfs/dbraw/zinc/73/42/18/1193734218.db2.gz VSMKPLAWWHFQFE-IXDOHACOSA-N 1 3 360.506 0.888 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582213 1193734221 /nfs/dbraw/zinc/73/42/21/1193734221.db2.gz VSMKPLAWWHFQFE-IXDOHACOSA-N 1 3 360.506 0.888 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccc2nccn21 ZINC001218499326 1224164191 /nfs/dbraw/zinc/16/41/91/1224164191.db2.gz RKZKHILSAHQHQA-KBPBESRZSA-N 1 3 358.446 0.720 20 0 FCADHO CN1CCN(c2ncccc2NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001218554702 1224172499 /nfs/dbraw/zinc/17/24/99/1224172499.db2.gz AJZFXSGERLOMJI-MRXNPFEDSA-N 1 3 358.490 0.646 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1CCN1C(=O)CCC1=O ZINC001088708536 1193827989 /nfs/dbraw/zinc/82/79/89/1193827989.db2.gz XHDHCACSLQSAFC-CJNGLKHVSA-N 1 3 369.425 0.676 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000551073777 1193831568 /nfs/dbraw/zinc/83/15/68/1193831568.db2.gz IWIIFBWWOYOJIP-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO CN1CCN(c2ncccc2NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001218554700 1224173273 /nfs/dbraw/zinc/17/32/73/1224173273.db2.gz AJZFXSGERLOMJI-INIZCTEOSA-N 1 3 358.490 0.646 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553097357 1193971372 /nfs/dbraw/zinc/97/13/72/1193971372.db2.gz ZRUYAFWIUROQLS-HNNXBMFYSA-N 1 3 370.538 0.839 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553097357 1193971374 /nfs/dbraw/zinc/97/13/74/1193971374.db2.gz ZRUYAFWIUROQLS-HNNXBMFYSA-N 1 3 370.538 0.839 20 0 FCADHO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218662147 1224192367 /nfs/dbraw/zinc/19/23/67/1224192367.db2.gz WJHIDLCNMHSJSD-CQSZACIVSA-N 1 3 372.429 0.378 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000842232067 1194106166 /nfs/dbraw/zinc/10/61/66/1194106166.db2.gz CXYDFWHNZGPJES-SFHVURJKSA-N 1 3 360.502 0.735 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000842232042 1194106258 /nfs/dbraw/zinc/10/62/58/1194106258.db2.gz VSBPECYBSRBKPU-GOSISDBHSA-N 1 3 358.486 0.891 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000842230250 1194109024 /nfs/dbraw/zinc/10/90/24/1194109024.db2.gz WTPRYNMPPYDBDD-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792295 1194164663 /nfs/dbraw/zinc/16/46/63/1194164663.db2.gz RJOMSHIBVFALAW-YKTARERQSA-N 1 3 363.506 0.465 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)CC[N@H+]1C ZINC000990792295 1194164668 /nfs/dbraw/zinc/16/46/68/1194164668.db2.gz RJOMSHIBVFALAW-YKTARERQSA-N 1 3 363.506 0.465 20 0 FCADHO O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218744286 1224210117 /nfs/dbraw/zinc/21/01/17/1224210117.db2.gz DHZKDIUHGIXQGN-CQSZACIVSA-N 1 3 356.430 0.371 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206467 1194353570 /nfs/dbraw/zinc/35/35/70/1194353570.db2.gz PUTFEQWWQMQKLA-ZWKOTPCHSA-N 1 3 360.506 0.769 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc2ccccn2n1 ZINC001218755010 1224213459 /nfs/dbraw/zinc/21/34/59/1224213459.db2.gz DPLAIPUINHTBAX-GJZGRUSLSA-N 1 3 358.446 0.720 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076418982 1194467657 /nfs/dbraw/zinc/46/76/57/1194467657.db2.gz ZLHKFJZFHXYDSG-RCCFBDPRSA-N 1 3 362.518 0.918 20 0 FCADHO N[C@H](C[NH3+])c1ccc(C(=O)Nc2ccccc2C(=O)N2CCNCC2)cc1 ZINC001218882275 1224247350 /nfs/dbraw/zinc/24/73/50/1224247350.db2.gz KVSIOAOBAQRCQR-QGZVFWFLSA-N 1 3 367.453 0.943 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)n1 ZINC001077014113 1195149014 /nfs/dbraw/zinc/14/90/14/1195149014.db2.gz DHEZKUYXJAGJTA-QZTJIDSGSA-N 1 3 363.506 0.800 20 0 FCADHO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218945102 1224269315 /nfs/dbraw/zinc/26/93/15/1224269315.db2.gz JSELILLDQBVVTI-BBEJJTJUSA-N 1 3 355.442 0.684 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001077219727 1195328277 /nfs/dbraw/zinc/32/82/77/1195328277.db2.gz VQHBGJRGJRUZOQ-KURKYZTESA-N 1 3 365.518 0.839 20 0 FCADHO CCO[C@@H](CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218971313 1224275722 /nfs/dbraw/zinc/27/57/22/1224275722.db2.gz XZNGGBBTXJTWKO-OKZBNKHCSA-N 1 3 369.506 0.291 20 0 FCADHO CC1(C)CO[C@@H](CN2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077309053 1195410314 /nfs/dbraw/zinc/41/03/14/1195410314.db2.gz YUYPILWKEOADCP-BRWVUGGUSA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4cncc4c3)C2)C1 ZINC001077309053 1195410317 /nfs/dbraw/zinc/41/03/17/1195410317.db2.gz YUYPILWKEOADCP-BRWVUGGUSA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4cncc4c3)C2)C1 ZINC001077309053 1195410327 /nfs/dbraw/zinc/41/03/27/1195410327.db2.gz YUYPILWKEOADCP-BRWVUGGUSA-N 1 3 358.442 0.924 20 0 FCADHO O=C(Nc1ccccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cnccn1 ZINC001219020512 1224295362 /nfs/dbraw/zinc/29/53/62/1224295362.db2.gz BGOUZLHGBAPPHU-LBPRGKRZSA-N 1 3 352.398 0.476 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236563 1195735706 /nfs/dbraw/zinc/73/57/06/1195735706.db2.gz GRZZMQABBWJWEV-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236563 1195735711 /nfs/dbraw/zinc/73/57/11/1195735711.db2.gz GRZZMQABBWJWEV-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO O=C(C(=O)N1CC[C@H](N2CCCC2)C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842516 1195849431 /nfs/dbraw/zinc/84/94/31/1195849431.db2.gz DRQVLUXVUTVJGY-KRWDZBQOSA-N 1 3 371.485 0.863 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000910833044 1195851351 /nfs/dbraw/zinc/85/13/51/1195851351.db2.gz ZHNXJILKHZIWEI-INIZCTEOSA-N 1 3 359.474 0.673 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000910832270 1195851589 /nfs/dbraw/zinc/85/15/89/1195851589.db2.gz MAPXDAQUZUGLMV-SJLPKXTDSA-N 1 3 371.485 0.815 20 0 FCADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911324393 1195933097 /nfs/dbraw/zinc/93/30/97/1195933097.db2.gz BVBDPNRZNBMTPA-BRSBDYLESA-N 1 3 356.470 0.860 20 0 FCADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911324396 1195933777 /nfs/dbraw/zinc/93/37/77/1195933777.db2.gz BVBDPNRZNBMTPA-ZJPYXAASSA-N 1 3 356.470 0.860 20 0 FCADHO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C)on1 ZINC001105945337 1196748479 /nfs/dbraw/zinc/74/84/79/1196748479.db2.gz UAVSOUZMNPLJDR-BPLDGKMQSA-N 1 3 363.462 0.700 20 0 FCADHO N[C@H]1CCCCN(CC(=O)Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)C1=O ZINC001219232404 1224395216 /nfs/dbraw/zinc/39/52/16/1224395216.db2.gz BRLCWPZOKPWIOH-YOEHRIQHSA-N 1 3 359.474 0.892 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945923 1197619069 /nfs/dbraw/zinc/61/90/69/1197619069.db2.gz ZPGCTPLRABZILU-QINHECLXSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945923 1197619075 /nfs/dbraw/zinc/61/90/75/1197619075.db2.gz ZPGCTPLRABZILU-QINHECLXSA-N 1 3 362.518 0.729 20 0 FCADHO COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106245893 1197779966 /nfs/dbraw/zinc/77/99/66/1197779966.db2.gz FPGSKUMTDVLZRU-ZACQAIPSSA-N 1 3 371.522 0.179 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106255637 1197793251 /nfs/dbraw/zinc/79/32/51/1197793251.db2.gz BSPIHRRQSVVXCX-JFIYKMOQSA-N 1 3 363.506 0.412 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106256072 1197794316 /nfs/dbraw/zinc/79/43/16/1197794316.db2.gz WPFTUACRCPHUSI-ZIAGYGMSSA-N 1 3 363.462 0.782 20 0 FCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)N1CCCC1 ZINC001085295637 1197801490 /nfs/dbraw/zinc/80/14/90/1197801490.db2.gz QWNBJXWLNGROCE-RBSFLKMASA-N 1 3 364.490 0.683 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106336104 1197868262 /nfs/dbraw/zinc/86/82/62/1197868262.db2.gz CJJOBGNQZAARAA-HZSPNIEDSA-N 1 3 369.510 0.245 20 0 FCADHO O=C(Nc1ccc(O[C@@H]2CCNCC2(F)F)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219453697 1224476494 /nfs/dbraw/zinc/47/64/94/1224476494.db2.gz NNGRWCULOQVGMW-HUUCEWRRSA-N 1 3 366.412 0.810 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219537751 1224502514 /nfs/dbraw/zinc/50/25/14/1224502514.db2.gz PRLGLPUWBLERFZ-RSUWNVLCSA-N 1 3 360.458 0.951 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369678 1199131119 /nfs/dbraw/zinc/13/11/19/1199131119.db2.gz CWSQRYXYRZFYJG-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129369678 1199131121 /nfs/dbraw/zinc/13/11/21/1199131121.db2.gz CWSQRYXYRZFYJG-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)NC[C@H]3C[NH2+][C@H](C)C3)cc(=O)oc2c1 ZINC001219684719 1224560032 /nfs/dbraw/zinc/56/00/32/1224560032.db2.gz RACBJVDLSDQPIQ-HSMVNMDESA-N 1 3 359.426 0.786 20 0 FCADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006930 1200698992 /nfs/dbraw/zinc/69/89/92/1200698992.db2.gz AERFARSHGUNZRG-OWSLCNJRSA-N 1 3 371.522 0.464 20 0 FCADHO Cn1ccnc1CNC[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563242 1200796166 /nfs/dbraw/zinc/79/61/66/1200796166.db2.gz MVWGJIXNQNAUFM-LPHOPBHVSA-N 1 3 363.506 0.717 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112568000 1200801812 /nfs/dbraw/zinc/80/18/12/1200801812.db2.gz RXEHJFYDJWZHME-DOXZYTNZSA-N 1 3 364.490 0.352 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111448 1200863722 /nfs/dbraw/zinc/86/37/22/1200863722.db2.gz YQAGRNLAMGKLTF-DLBZAZTESA-N 1 3 366.506 0.347 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111449 1200863876 /nfs/dbraw/zinc/86/38/76/1200863876.db2.gz YQAGRNLAMGKLTF-IAGOWNOFSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837095 1224647405 /nfs/dbraw/zinc/64/74/05/1224647405.db2.gz HRDGSVDYLUXURY-ZYSHUDEJSA-N 1 3 365.449 0.597 20 0 FCADHO C[NH+](C)CCOC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790365854 1201073784 /nfs/dbraw/zinc/07/37/84/1201073784.db2.gz HYYWTDZXAMOEEH-LJQANCHMSA-N 1 3 366.506 0.903 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219847924 1224652388 /nfs/dbraw/zinc/65/23/88/1224652388.db2.gz TXXKSFFXLSTXOG-XLAORIBOSA-N 1 3 357.454 0.972 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219848312 1224653195 /nfs/dbraw/zinc/65/31/95/1224653195.db2.gz WQGIRZMZZRKWNB-GIYWUFHFSA-N 1 3 356.470 0.348 20 0 FCADHO CC1(C)OCc2cc(C[C@H](N)C(=O)N[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc2O1 ZINC001219856333 1224656820 /nfs/dbraw/zinc/65/68/20/1224656820.db2.gz IMRMADUGJCUGNY-WBTNSWJXSA-N 1 3 361.442 0.305 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400745 1201306917 /nfs/dbraw/zinc/30/69/17/1201306917.db2.gz ZFKITVLSCQQJTH-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129400745 1201306926 /nfs/dbraw/zinc/30/69/26/1201306926.db2.gz ZFKITVLSCQQJTH-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910196 1201422281 /nfs/dbraw/zinc/42/22/81/1201422281.db2.gz HWEYQRAHPMLIRO-ZACQAIPSSA-N 1 3 366.510 0.632 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899754 1201432931 /nfs/dbraw/zinc/43/29/31/1201432931.db2.gz KJKIQVGKSGJVHI-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899754 1201432935 /nfs/dbraw/zinc/43/29/35/1201432935.db2.gz KJKIQVGKSGJVHI-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1n1ccnn1 ZINC001129945493 1201453572 /nfs/dbraw/zinc/45/35/72/1201453572.db2.gz OCPFOGDDUOLQBL-CVEARBPZSA-N 1 3 364.494 0.531 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983129 1201462395 /nfs/dbraw/zinc/46/23/95/1201462395.db2.gz NPOHFYXVHIUEMI-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006151 1201476233 /nfs/dbraw/zinc/47/62/33/1201476233.db2.gz VVMWVJBNVJGTLD-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006186 1201476492 /nfs/dbraw/zinc/47/64/92/1201476492.db2.gz WZWYTPFRDJTUAS-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030663 1201480951 /nfs/dbraw/zinc/48/09/51/1201480951.db2.gz LMGQUSAOZYQGGP-IKGGRYGDSA-N 1 3 364.494 0.529 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043948 1201484838 /nfs/dbraw/zinc/48/48/38/1201484838.db2.gz IGKUSOSWNPHBHV-ZACQAIPSSA-N 1 3 366.510 0.513 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107371 1201502766 /nfs/dbraw/zinc/50/27/66/1201502766.db2.gz MNTDGOVKZPZWIU-SJORKVTESA-N 1 3 366.510 0.777 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130107375 1201502941 /nfs/dbraw/zinc/50/29/41/1201502941.db2.gz MVJUSVKYWUPHQT-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130136971 1201514002 /nfs/dbraw/zinc/51/40/02/1201514002.db2.gz BUCFDXPCYMRXIU-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130216191 1201547137 /nfs/dbraw/zinc/54/71/37/1201547137.db2.gz QELZPHJXWDVZQT-DZKIICNBSA-N 1 3 366.510 0.878 20 0 FCADHO CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[n-]1)[NH+](C)C ZINC001130221055 1201551028 /nfs/dbraw/zinc/55/10/28/1201551028.db2.gz REEUHMHARJRNFG-ZNMIVQPWSA-N 1 3 364.494 0.633 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1)N(C)C ZINC001130293160 1201579340 /nfs/dbraw/zinc/57/93/40/1201579340.db2.gz NIAUQUXLWZMECB-NUJGCVRESA-N 1 3 368.522 0.184 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130602539 1202732026 /nfs/dbraw/zinc/73/20/26/1202732026.db2.gz HMYSDSDMGDSOQP-YQQAZPJKSA-N 1 3 369.485 0.366 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607632 1202733760 /nfs/dbraw/zinc/73/37/60/1202733760.db2.gz GKGSUXGIWFYKCT-QILLFSRXSA-N 1 3 363.506 0.823 20 0 FCADHO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130685520 1202753504 /nfs/dbraw/zinc/75/35/04/1202753504.db2.gz WZFUTJKJLJDXCP-JLJPHGGASA-N 1 3 360.462 0.431 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070496 1202856539 /nfs/dbraw/zinc/85/65/39/1202856539.db2.gz YPBSCYWSFNKEKY-BRWVUGGUSA-N 1 3 363.506 0.682 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131132992 1202869923 /nfs/dbraw/zinc/86/99/23/1202869923.db2.gz WPPMZBUSBPHPGQ-BRWVUGGUSA-N 1 3 363.506 0.681 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131608822 1202920784 /nfs/dbraw/zinc/92/07/84/1202920784.db2.gz PEYVFAUSSHYOBD-MJGOQNOKSA-N 1 3 371.522 0.321 20 0 FCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126256 1203015410 /nfs/dbraw/zinc/01/54/10/1203015410.db2.gz HWKJFXNXAMFTOV-SQNIBIBYSA-N 1 3 358.486 0.658 20 0 FCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126256 1203015414 /nfs/dbraw/zinc/01/54/14/1203015414.db2.gz HWKJFXNXAMFTOV-SQNIBIBYSA-N 1 3 358.486 0.658 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817926919 1203124768 /nfs/dbraw/zinc/12/47/68/1203124768.db2.gz WRIMCHUZTMGIGC-SFHVURJKSA-N 1 3 360.502 0.830 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000817926529 1203126577 /nfs/dbraw/zinc/12/65/77/1203126577.db2.gz MGUZMRUSLPURDH-OALUTQOASA-N 1 3 372.513 0.830 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000817975275 1203129792 /nfs/dbraw/zinc/12/97/92/1203129792.db2.gz SMWRUVNWHPYPQA-ROUUACIJSA-N 1 3 358.486 0.917 20 0 FCADHO CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)c1 ZINC001220120584 1224776754 /nfs/dbraw/zinc/77/67/54/1224776754.db2.gz IIZUXYHNUBAGPW-SCLBCKFNSA-N 1 3 359.430 0.350 20 0 FCADHO COC(=O)[C@]1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCN(Cc2ccccc2)C1 ZINC001220228254 1224809646 /nfs/dbraw/zinc/80/96/46/1224809646.db2.gz GFEAMKDWLIHPAL-YKCBXCCJSA-N 1 3 372.469 0.142 20 0 FCADHO CC(C)(O)[C@H](N)C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354215 1224840082 /nfs/dbraw/zinc/84/00/82/1224840082.db2.gz OXLAGCJZXCPTHJ-BZUAXINKSA-N 1 3 363.458 0.660 20 0 FCADHO O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353882 1224840228 /nfs/dbraw/zinc/84/02/28/1224840228.db2.gz LNRHWEOPPIEEPJ-QZWWFDLISA-N 1 3 361.442 0.285 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220356470 1224841234 /nfs/dbraw/zinc/84/12/34/1224841234.db2.gz AGRCXIVMUUPHPG-LTIDMASMSA-N 1 3 361.442 0.142 20 0 FCADHO C[NH2+][C@H](C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@@H](C)O ZINC001220358776 1224841994 /nfs/dbraw/zinc/84/19/94/1224841994.db2.gz XOOCECXFVPLRDD-IWCQGFGOSA-N 1 3 363.458 0.531 20 0 FCADHO N[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCCN2)CCC[NH2+]C1 ZINC001220358587 1224842747 /nfs/dbraw/zinc/84/27/47/1224842747.db2.gz VEANHVNHNJNZFJ-ABSDTBQOSA-N 1 3 374.485 0.643 20 0 FCADHO CCOC(=O)CN(CC[NH3+])C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC001149011194 1204845569 /nfs/dbraw/zinc/84/55/69/1204845569.db2.gz USBPUAGKUQYVOI-UHFFFAOYSA-N 1 3 362.474 0.793 20 0 FCADHO C[C@@H](C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)N1CCCC1 ZINC001273448831 1204848574 /nfs/dbraw/zinc/84/85/74/1204848574.db2.gz CMLITPATLGSQCR-RDJZCZTQSA-N 1 3 362.518 0.872 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083519 1204971537 /nfs/dbraw/zinc/97/15/37/1204971537.db2.gz IQSOXYFUQJNKCC-JFIYKMOQSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083922 1204972122 /nfs/dbraw/zinc/97/21/22/1204972122.db2.gz XWPPYUDEVZSZNS-CGTJXYLNSA-N 1 3 363.506 0.715 20 0 FCADHO Cn1cc(-c2cc(CNC(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)ccn2)cn1 ZINC001220454453 1224878297 /nfs/dbraw/zinc/87/82/97/1224878297.db2.gz VYGQJCKVUOPUAF-INIZCTEOSA-N 1 3 354.458 0.973 20 0 FCADHO Cn1cc(-c2cc(CNC(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)ccn2)cn1 ZINC001220454453 1224878300 /nfs/dbraw/zinc/87/83/00/1224878300.db2.gz VYGQJCKVUOPUAF-INIZCTEOSA-N 1 3 354.458 0.973 20 0 FCADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774485 1205354020 /nfs/dbraw/zinc/35/40/20/1205354020.db2.gz PBSNRLGNFNPFON-RBSFLKMASA-N 1 3 362.474 0.104 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910384 1205941126 /nfs/dbraw/zinc/94/11/26/1205941126.db2.gz BRYXQXGPFKOWJK-BFYDXBDKSA-N 1 3 364.494 0.108 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910384 1205941127 /nfs/dbraw/zinc/94/11/27/1205941127.db2.gz BRYXQXGPFKOWJK-BFYDXBDKSA-N 1 3 364.494 0.108 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093121221 1206027535 /nfs/dbraw/zinc/02/75/35/1206027535.db2.gz ZPZWOWHGHVJNPX-RVKKMQEKSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224900 1206063044 /nfs/dbraw/zinc/06/30/44/1206063044.db2.gz GAIFLPPVCPXJQX-QGPMSJSTSA-N 1 3 358.486 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093826048 1206124319 /nfs/dbraw/zinc/12/43/19/1206124319.db2.gz ZMZKMAYJENFMMK-INMHGKMJSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1ncnn1CCF ZINC001093824021 1206124353 /nfs/dbraw/zinc/12/43/53/1206124353.db2.gz CSZXGJDRDZQXHP-UNEWFSDZSA-N 1 3 366.485 0.772 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CNCc1cn(C)nn1 ZINC001093857238 1206146106 /nfs/dbraw/zinc/14/61/06/1206146106.db2.gz WYIIFSRACDGUQA-HZPDHXFCSA-N 1 3 360.506 0.875 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNCc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041912 1206174405 /nfs/dbraw/zinc/17/44/05/1206174405.db2.gz IDHSYIQWFQWJPO-ARFHVFGLSA-N 1 3 366.485 0.774 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNCc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041912 1206174407 /nfs/dbraw/zinc/17/44/07/1206174407.db2.gz IDHSYIQWFQWJPO-ARFHVFGLSA-N 1 3 366.485 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nnc2n1CCCC2 ZINC001094219407 1206203414 /nfs/dbraw/zinc/20/34/14/1206203414.db2.gz JUILBQDULWWRGW-OWCLPIDISA-N 1 3 360.506 0.750 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nnc2n1CCCC2 ZINC001094219407 1206203417 /nfs/dbraw/zinc/20/34/17/1206203417.db2.gz JUILBQDULWWRGW-OWCLPIDISA-N 1 3 360.506 0.750 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220565150 1224935576 /nfs/dbraw/zinc/93/55/76/1224935576.db2.gz KFDYJODGFCZIRJ-HZPDHXFCSA-N 1 3 360.458 0.546 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220565150 1224935591 /nfs/dbraw/zinc/93/55/91/1224935591.db2.gz KFDYJODGFCZIRJ-HZPDHXFCSA-N 1 3 360.458 0.546 20 0 FCADHO COCCCN1CCC([N@@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001172257053 1206260579 /nfs/dbraw/zinc/26/05/79/1206260579.db2.gz KEUHZFYIDLDUAK-KRWDZBQOSA-N 1 3 368.522 0.994 20 0 FCADHO COCCCN1CCC([N@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001172257053 1206260586 /nfs/dbraw/zinc/26/05/86/1206260586.db2.gz KEUHZFYIDLDUAK-KRWDZBQOSA-N 1 3 368.522 0.994 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@@H]1C(=O)OC ZINC001173570698 1206281046 /nfs/dbraw/zinc/28/10/46/1206281046.db2.gz VQZCRSKGXIMVIU-RDSHKEJNSA-N 1 3 368.474 0.960 20 0 FCADHO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580221 1206282732 /nfs/dbraw/zinc/28/27/32/1206282732.db2.gz RQRSRZIDLRNQGQ-QKDCVEJESA-N 1 3 372.462 0.544 20 0 FCADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580221 1206282737 /nfs/dbraw/zinc/28/27/37/1206282737.db2.gz RQRSRZIDLRNQGQ-QKDCVEJESA-N 1 3 372.462 0.544 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3ccccc3)C2)CC[N@@H+]1C ZINC001182676302 1206441055 /nfs/dbraw/zinc/44/10/55/1206441055.db2.gz FXLRMRLBMYGVHA-KBAYOESNSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3ccccc3)C2)CC[N@H+]1C ZINC001182676302 1206441057 /nfs/dbraw/zinc/44/10/57/1206441057.db2.gz FXLRMRLBMYGVHA-KBAYOESNSA-N 1 3 358.486 0.834 20 0 FCADHO N[C@H]1CCCCN(CC(=O)NCc2ccccc2N2CC[NH2+]CC2)C1=O ZINC001220652277 1224992495 /nfs/dbraw/zinc/99/24/95/1224992495.db2.gz XTGHHNGTNUBEMI-INIZCTEOSA-N 1 3 359.474 0.052 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118400 1207502956 /nfs/dbraw/zinc/50/29/56/1207502956.db2.gz WCOXXUQHWTYGTC-RYQLBKOJSA-N 1 3 366.506 0.156 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118400 1207502962 /nfs/dbraw/zinc/50/29/62/1207502962.db2.gz WCOXXUQHWTYGTC-RYQLBKOJSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H](COCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001189182458 1207515054 /nfs/dbraw/zinc/51/50/54/1207515054.db2.gz VESLTFPLEFRIKE-OKZBNKHCSA-N 1 3 369.506 0.029 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804432 1208107526 /nfs/dbraw/zinc/10/75/26/1208107526.db2.gz YAGLTICDHRCZLD-IAGOWNOFSA-N 1 3 367.494 0.036 20 0 FCADHO CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CC1 ZINC001197320361 1208153178 /nfs/dbraw/zinc/15/31/78/1208153178.db2.gz YDQLIGCLHCOSJP-KZNAEPCWSA-N 1 3 369.506 0.074 20 0 FCADHO CCN(CC)C(=O)N1CCC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001220911639 1225135577 /nfs/dbraw/zinc/13/55/77/1225135577.db2.gz RLLAKOFEBLRTLH-INIZCTEOSA-N 1 3 365.522 0.903 20 0 FCADHO CCN(CC)C(=O)N1CCC(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001220911639 1225135581 /nfs/dbraw/zinc/13/55/81/1225135581.db2.gz RLLAKOFEBLRTLH-INIZCTEOSA-N 1 3 365.522 0.903 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748870 1209562853 /nfs/dbraw/zinc/56/28/53/1209562853.db2.gz FKQFPUSDTGANKE-NVXWUHKLSA-N 1 3 366.506 0.997 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853340514 1209590148 /nfs/dbraw/zinc/59/01/48/1209590148.db2.gz ADTASKMGXXJHLX-IBGZPJMESA-N 1 3 359.474 0.635 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC001220970417 1225166253 /nfs/dbraw/zinc/16/62/53/1225166253.db2.gz CEIBPHNOBUAPBE-UHFFFAOYSA-N 1 3 356.470 0.933 20 0 FCADHO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001221056388 1225202290 /nfs/dbraw/zinc/20/22/90/1225202290.db2.gz QHLQABKKGDTYAW-QAETUUGQSA-N 1 3 368.522 0.624 20 0 FCADHO COc1cccc(CNC(=O)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001221060508 1225204180 /nfs/dbraw/zinc/20/41/80/1225204180.db2.gz CRGQTTWFRIFXNC-KRWDZBQOSA-N 1 3 364.490 0.923 20 0 FCADHO CCN1CCN(CCCNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876781665 1210430008 /nfs/dbraw/zinc/43/00/08/1210430008.db2.gz QFHQHEZFOXYSCS-KRWDZBQOSA-N 1 3 362.522 0.873 20 0 FCADHO O=C(NCCO)C1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877993536 1210452832 /nfs/dbraw/zinc/45/28/32/1210452832.db2.gz PVCITPLZMWLLGC-HXUWFJFHSA-N 1 3 361.486 0.444 20 0 FCADHO O=C(NCCO)C1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877993536 1210452834 /nfs/dbraw/zinc/45/28/34/1210452834.db2.gz PVCITPLZMWLLGC-HXUWFJFHSA-N 1 3 361.486 0.444 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)n1 ZINC000882482710 1210623331 /nfs/dbraw/zinc/62/33/31/1210623331.db2.gz MYTRKFVRRDLZQT-GASCZTMLSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC)n1 ZINC000882482710 1210623336 /nfs/dbraw/zinc/62/33/36/1210623336.db2.gz MYTRKFVRRDLZQT-GASCZTMLSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC)n1 ZINC000882482710 1210623344 /nfs/dbraw/zinc/62/33/44/1210623344.db2.gz MYTRKFVRRDLZQT-GASCZTMLSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2CC)n1 ZINC000882482710 1210623350 /nfs/dbraw/zinc/62/33/50/1210623350.db2.gz MYTRKFVRRDLZQT-GASCZTMLSA-N 1 3 359.474 0.730 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883423827 1210665820 /nfs/dbraw/zinc/66/58/20/1210665820.db2.gz WIHLYXJTCSYWQS-MRXNPFEDSA-N 1 3 365.522 0.986 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883423827 1210665822 /nfs/dbraw/zinc/66/58/22/1210665822.db2.gz WIHLYXJTCSYWQS-MRXNPFEDSA-N 1 3 365.522 0.986 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000883458000 1210669012 /nfs/dbraw/zinc/66/90/12/1210669012.db2.gz UJERAEPGJXGZIG-HZPDHXFCSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000883458000 1210669017 /nfs/dbraw/zinc/66/90/17/1210669017.db2.gz UJERAEPGJXGZIG-HZPDHXFCSA-N 1 3 365.522 0.985 20 0 FCADHO COc1ccccc1[C@H](N)CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884011314 1210709440 /nfs/dbraw/zinc/70/94/40/1210709440.db2.gz ZLPYFASWAAUIEK-MRXNPFEDSA-N 1 3 355.442 0.930 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)C[C@H]3CCCO3)CC2)CC1 ZINC000884124309 1210716140 /nfs/dbraw/zinc/71/61/40/1210716140.db2.gz UGAHQUNPFJRTBF-FUHWJXTLSA-N 1 3 368.522 0.774 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000884508179 1210741390 /nfs/dbraw/zinc/74/13/90/1210741390.db2.gz XAOLLKNEVLLUNR-HNNXBMFYSA-N 1 3 367.538 0.023 20 0 FCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000884560208 1210751722 /nfs/dbraw/zinc/75/17/22/1210751722.db2.gz QPZPBEQIBBOEAE-CLCXKQKWSA-N 1 3 366.506 0.189 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884576427 1210754154 /nfs/dbraw/zinc/75/41/54/1210754154.db2.gz HIIAFXOLAFHVBK-WMZOPIPTSA-N 1 3 360.502 0.911 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884576730 1210755570 /nfs/dbraw/zinc/75/55/70/1210755570.db2.gz OZEHFSXHYDJACI-OAHLLOKOSA-N 1 3 358.486 0.797 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884656324 1210773323 /nfs/dbraw/zinc/77/33/23/1210773323.db2.gz BZCRKVXNUQMEID-JKSUJKDBSA-N 1 3 366.506 0.345 20 0 FCADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000884677901 1210778303 /nfs/dbraw/zinc/77/83/03/1210778303.db2.gz JADGBPPFKUDMMA-ZWKOTPCHSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706603 1210784302 /nfs/dbraw/zinc/78/43/02/1210784302.db2.gz IIFDZNWEJXRXJV-HZPDHXFCSA-N 1 3 368.522 0.940 20 0 FCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137885 1210811788 /nfs/dbraw/zinc/81/17/88/1210811788.db2.gz KPLQCHNUPMGYMJ-HUUCEWRRSA-N 1 3 366.506 0.250 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150411 1210812598 /nfs/dbraw/zinc/81/25/98/1210812598.db2.gz VRFFSLNTLLSEJB-HOTGVXAUSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC[N@@H+]1C ZINC000885156134 1210813670 /nfs/dbraw/zinc/81/36/70/1210813670.db2.gz MPMCMDPOJZDOIQ-ZTFGCOKTSA-N 1 3 358.486 0.758 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC[N@H+]1C ZINC000885156134 1210813672 /nfs/dbraw/zinc/81/36/72/1210813672.db2.gz MPMCMDPOJZDOIQ-ZTFGCOKTSA-N 1 3 358.486 0.758 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000885869171 1210821226 /nfs/dbraw/zinc/82/12/26/1210821226.db2.gz 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LOMMANGFSAWZSC-OXQOHEQNSA-N 1 3 358.486 0.754 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397814 1211044418 /nfs/dbraw/zinc/04/44/18/1211044418.db2.gz TVTVZBZYTBBPSM-FGTMMUONSA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397814 1211044420 /nfs/dbraw/zinc/04/44/20/1211044420.db2.gz TVTVZBZYTBBPSM-FGTMMUONSA-N 1 3 364.534 0.975 20 0 FCADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172261 1211189094 /nfs/dbraw/zinc/18/90/94/1211189094.db2.gz UCVKJNHPMXCKMD-USXIJHARSA-N 1 3 359.474 0.066 20 0 FCADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172261 1211189095 /nfs/dbraw/zinc/18/90/95/1211189095.db2.gz UCVKJNHPMXCKMD-USXIJHARSA-N 1 3 359.474 0.066 20 0 FCADHO COc1ccc(CN2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1N ZINC001275356304 1211220047 /nfs/dbraw/zinc/22/00/47/1211220047.db2.gz CEJGZNXJHRYGQX-LJQANCHMSA-N 1 3 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C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001070718969 1219541510 /nfs/dbraw/zinc/54/15/10/1219541510.db2.gz MZUKBNHYMKYPAV-ARFHVFGLSA-N 1 3 367.469 0.242 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1 ZINC001071091700 1219604375 /nfs/dbraw/zinc/60/43/75/1219604375.db2.gz REHRPAAJSWDGCG-BJZITVGISA-N 1 3 362.474 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074663058 1219712030 /nfs/dbraw/zinc/71/20/30/1219712030.db2.gz BVOSTSJAIYKHOZ-LUKYLMHMSA-N 1 3 366.506 0.155 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001074663058 1219712034 /nfs/dbraw/zinc/71/20/34/1219712034.db2.gz BVOSTSJAIYKHOZ-LUKYLMHMSA-N 1 3 366.506 0.155 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001098214657 1219742525 /nfs/dbraw/zinc/74/25/25/1219742525.db2.gz RINAOYZOCLXLRJ-HPBDAGMYSA-N 1 3 358.486 0.949 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001098214657 1219742527 /nfs/dbraw/zinc/74/25/27/1219742527.db2.gz RINAOYZOCLXLRJ-HPBDAGMYSA-N 1 3 358.486 0.949 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228445644 1225924235 /nfs/dbraw/zinc/92/42/35/1225924235.db2.gz URJBSDAZBQLXBV-JFIYKMOQSA-N 1 3 370.538 0.742 20 0 FCADHO Cn1ncnc1CNC[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001099446017 1219998648 /nfs/dbraw/zinc/99/86/48/1219998648.db2.gz GNSQKOJKIZCBOS-WDYCEAGBSA-N 1 3 360.506 0.874 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)C1 ZINC001099500635 1220016146 /nfs/dbraw/zinc/01/61/46/1220016146.db2.gz ZMDOOBLRWUWIHE-BXWFABGCSA-N 1 3 360.506 0.875 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228660784 1225940365 /nfs/dbraw/zinc/94/03/65/1225940365.db2.gz JGIWVWRVGNTLGE-KFWWJZLASA-N 1 3 369.510 0.579 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257640 1220250887 /nfs/dbraw/zinc/25/08/87/1220250887.db2.gz FDKWXFDPCRSHCG-NUJGCVRESA-N 1 3 366.485 0.738 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257640 1220250892 /nfs/dbraw/zinc/25/08/92/1220250892.db2.gz FDKWXFDPCRSHCG-NUJGCVRESA-N 1 3 366.485 0.738 20 0 FCADHO C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1 ZINC001101366871 1220303898 /nfs/dbraw/zinc/30/38/98/1220303898.db2.gz RMUHBYDUAFGBCO-XLIONFOSSA-N 1 3 358.486 0.427 20 0 FCADHO C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1 ZINC001101366871 1220303903 /nfs/dbraw/zinc/30/39/03/1220303903.db2.gz RMUHBYDUAFGBCO-XLIONFOSSA-N 1 3 358.486 0.427 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478396 1220367432 /nfs/dbraw/zinc/36/74/32/1220367432.db2.gz MDBQWDYAFRRINH-GJYPPUQNSA-N 1 3 360.506 0.886 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478396 1220367435 /nfs/dbraw/zinc/36/74/35/1220367435.db2.gz MDBQWDYAFRRINH-GJYPPUQNSA-N 1 3 360.506 0.886 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976196 1220449897 /nfs/dbraw/zinc/44/98/97/1220449897.db2.gz OHSQJAMMIUZJQT-OIISXLGYSA-N 1 3 364.534 0.927 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012902 1220461573 /nfs/dbraw/zinc/46/15/73/1220461573.db2.gz ANJBRLYLWSBDFN-BRWVUGGUSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102012902 1220461576 /nfs/dbraw/zinc/46/15/76/1220461576.db2.gz ANJBRLYLWSBDFN-BRWVUGGUSA-N 1 3 370.513 0.973 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048735 1220476769 /nfs/dbraw/zinc/47/67/69/1220476769.db2.gz NARQRGNYPYQEKB-OIISXLGYSA-N 1 3 367.538 0.718 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048735 1220476771 /nfs/dbraw/zinc/47/67/71/1220476771.db2.gz NARQRGNYPYQEKB-OIISXLGYSA-N 1 3 367.538 0.718 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213311 1220555637 /nfs/dbraw/zinc/55/56/37/1220555637.db2.gz APGNXOVEPRCTEV-HZSPNIEDSA-N 1 3 367.494 0.128 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320642 1220582971 /nfs/dbraw/zinc/58/29/71/1220582971.db2.gz MTFPKHIVXHTGIF-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001102531982 1220684571 /nfs/dbraw/zinc/68/45/71/1220684571.db2.gz OIKFQSGIMINOOM-CZUORRHYSA-N 1 3 357.458 0.844 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001102531982 1220684574 /nfs/dbraw/zinc/68/45/74/1220684574.db2.gz OIKFQSGIMINOOM-CZUORRHYSA-N 1 3 357.458 0.844 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050257 1220823929 /nfs/dbraw/zinc/82/39/29/1220823929.db2.gz ZQFLOWJGISIPBI-BRWVUGGUSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050257 1220823930 /nfs/dbraw/zinc/82/39/30/1220823930.db2.gz ZQFLOWJGISIPBI-BRWVUGGUSA-N 1 3 370.513 0.973 20 0 FCADHO COCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249902 1220856352 /nfs/dbraw/zinc/85/63/52/1220856352.db2.gz XBLDOZZNOKJXMF-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO COCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249902 1220856357 /nfs/dbraw/zinc/85/63/57/1220856357.db2.gz XBLDOZZNOKJXMF-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396782 1220876938 /nfs/dbraw/zinc/87/69/38/1220876938.db2.gz JIANBMHVWFQGNK-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103614715 1220914306 /nfs/dbraw/zinc/91/43/06/1220914306.db2.gz QYAYHAQDEYYNJK-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103614715 1220914308 /nfs/dbraw/zinc/91/43/08/1220914308.db2.gz QYAYHAQDEYYNJK-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103723590 1220952334 /nfs/dbraw/zinc/95/23/34/1220952334.db2.gz SLFWXDAFBAMFLM-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103723590 1220952337 /nfs/dbraw/zinc/95/23/37/1220952337.db2.gz SLFWXDAFBAMFLM-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722341 1220952914 /nfs/dbraw/zinc/95/29/14/1220952914.db2.gz JKSXDKTWDGNWQF-IAGOWNOFSA-N 1 3 366.506 0.015 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722341 1220952916 /nfs/dbraw/zinc/95/29/16/1220952916.db2.gz JKSXDKTWDGNWQF-IAGOWNOFSA-N 1 3 366.506 0.015 20 0 FCADHO CN1CCN(CCCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC001116115809 1221337220 /nfs/dbraw/zinc/33/72/20/1221337220.db2.gz FFOFXJOIFMGNSG-UHFFFAOYSA-N 1 3 369.554 0.502 20 0 FCADHO CN1CCN(CCCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC001116115809 1221337224 /nfs/dbraw/zinc/33/72/24/1221337224.db2.gz FFOFXJOIFMGNSG-UHFFFAOYSA-N 1 3 369.554 0.502 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCCOC ZINC001229876841 1226038377 /nfs/dbraw/zinc/03/83/77/1226038377.db2.gz DPLZHQSQGWRVJS-BRWVUGGUSA-N 1 3 370.538 0.886 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001116986797 1221419700 /nfs/dbraw/zinc/41/97/00/1221419700.db2.gz VECRKXHHDYRCEM-HNNXBMFYSA-N 1 3 373.501 0.934 20 0 FCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119300822 1221898498 /nfs/dbraw/zinc/89/84/98/1221898498.db2.gz HVEOBAUQNLDXJL-SFHVURJKSA-N 1 3 374.533 0.968 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001119414614 1221914312 /nfs/dbraw/zinc/91/43/12/1221914312.db2.gz JDVSNSGUBUHOTK-QGZVFWFLSA-N 1 3 356.470 0.560 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC001120581432 1222106679 /nfs/dbraw/zinc/10/66/79/1222106679.db2.gz JLRMMHKHDVZGGM-IBGZPJMESA-N 1 3 371.485 0.859 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120643229 1222110975 /nfs/dbraw/zinc/11/09/75/1222110975.db2.gz YRUYGQPDGAGGGY-BBWFWOEESA-N 1 3 366.506 0.386 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000841148960 1222810190 /nfs/dbraw/zinc/81/01/90/1222810190.db2.gz BLSLEUWWCOHWKO-MRXNPFEDSA-N 1 3 359.474 0.587 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000841178280 1222812048 /nfs/dbraw/zinc/81/20/48/1222812048.db2.gz FGZHGRDMQGQNLI-QAPCUYQASA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000841206771 1222813128 /nfs/dbraw/zinc/81/31/28/1222813128.db2.gz CSXRZKZXOPIJGB-CVEARBPZSA-N 1 3 373.501 0.963 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926222 1222832281 /nfs/dbraw/zinc/83/22/81/1222832281.db2.gz CBOWTXHIGAPPJS-GOSISDBHSA-N 1 3 373.501 0.636 20 0 FCADHO CC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001277712741 1226168557 /nfs/dbraw/zinc/16/85/57/1226168557.db2.gz KXSHOTGLFVFTOE-MSOLQXFVSA-N 1 3 366.550 0.613 20 0 FCADHO [NH3+]CCCC[C@H](NC(=O)c1cncc2c1CCNC2)C(=O)N1CCCC1 ZINC001157399840 1223076158 /nfs/dbraw/zinc/07/61/58/1223076158.db2.gz XDVUJVWOQIOBMJ-KRWDZBQOSA-N 1 3 359.474 0.577 20 0 FCADHO c1cn(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c2c1C[NH2+]CC2 ZINC001157441470 1223076841 /nfs/dbraw/zinc/07/68/41/1223076841.db2.gz AUXMKYYHQNIWDB-UHFFFAOYSA-N 1 3 370.457 0.586 20 0 FCADHO O=C(N1CCN(c2noc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157519176 1223077712 /nfs/dbraw/zinc/07/77/12/1223077712.db2.gz HQQJXVSCYWIUFK-AUUYWEPGSA-N 1 3 355.442 0.676 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615427 1223079423 /nfs/dbraw/zinc/07/94/23/1223079423.db2.gz LHONUXALHPIXBT-FUHIMQAGSA-N 1 3 373.545 0.858 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1 ZINC001157721467 1223081313 /nfs/dbraw/zinc/08/13/13/1223081313.db2.gz YAJPZUHQICZTQI-TXPKVOOTSA-N 1 3 372.469 0.954 20 0 FCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277647 1223093423 /nfs/dbraw/zinc/09/34/23/1223093423.db2.gz QOBHYYQFSPIZGC-SFHVURJKSA-N 1 3 372.448 0.798 20 0 FCADHO O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327937 1223095186 /nfs/dbraw/zinc/09/51/86/1223095186.db2.gz RQZQNEZXOKWSDC-YESZJQIVSA-N 1 3 354.454 0.200 20 0 FCADHO CN1CCC(N(c2ncc3c(n2)N(C)CC(=O)N3)C2CC[NH2+]CC2)CC1 ZINC001158581467 1223102915 /nfs/dbraw/zinc/10/29/15/1223102915.db2.gz UHXZHIOJUIQLKK-UHFFFAOYSA-N 1 3 359.478 0.518 20 0 FCADHO CCOC[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)Cc2nn(CC3CC3)cc21 ZINC001158797883 1223109259 /nfs/dbraw/zinc/10/92/59/1223109259.db2.gz CTKRLOFOIBUHSC-NVXWUHKLSA-N 1 3 373.501 0.564 20 0 FCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCCC[NH+](C)C)cn1 ZINC001159085886 1223117241 /nfs/dbraw/zinc/11/72/41/1223117241.db2.gz YPTMESNNFZSERT-HRCADAONSA-N 1 3 362.478 0.186 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159192477 1223120330 /nfs/dbraw/zinc/12/03/30/1223120330.db2.gz SVGRJKCSNZYEKZ-RDJZCZTQSA-N 1 3 359.474 0.077 20 0 FCADHO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001159259202 1223121972 /nfs/dbraw/zinc/12/19/72/1223121972.db2.gz XUPZWTQMCNQJPF-SCTDSRPQSA-N 1 3 371.485 0.419 20 0 FCADHO C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001159610835 1223131126 /nfs/dbraw/zinc/13/11/26/1223131126.db2.gz UYFSPCDXDIKZCQ-LRDDRELGSA-N 1 3 374.489 0.246 20 0 FCADHO N[C@@H](C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696138 1223134214 /nfs/dbraw/zinc/13/42/14/1223134214.db2.gz COCFJEOSPFJJRR-ZWKOTPCHSA-N 1 3 370.497 0.836 20 0 FCADHO CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159844406 1223137702 /nfs/dbraw/zinc/13/77/02/1223137702.db2.gz GNZQJENPUKAYDN-JKSUJKDBSA-N 1 3 368.522 0.613 20 0 FCADHO N[C@@H](C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)C1CC[NH2+]CC1 ZINC001159905324 1223139617 /nfs/dbraw/zinc/13/96/17/1223139617.db2.gz LVIZRRUEMXETFJ-LMMKCTJWSA-N 1 3 360.458 0.547 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192809 1223149126 /nfs/dbraw/zinc/14/91/26/1223149126.db2.gz IBWROCNBMBUFFH-HNNXBMFYSA-N 1 3 374.493 0.314 20 0 FCADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CCC2 ZINC001160324402 1223155067 /nfs/dbraw/zinc/15/50/67/1223155067.db2.gz UYRXABSZMCNPMV-HNNXBMFYSA-N 1 3 374.489 0.126 20 0 FCADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CCC2 ZINC001160324402 1223155069 /nfs/dbraw/zinc/15/50/69/1223155069.db2.gz UYRXABSZMCNPMV-HNNXBMFYSA-N 1 3 374.489 0.126 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566640 1223164971 /nfs/dbraw/zinc/16/49/71/1223164971.db2.gz VBPWSBHSPOUPHN-INIZCTEOSA-N 1 3 354.458 0.016 20 0 FCADHO O=C(COC1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1)NC1CC1 ZINC001160743667 1223170232 /nfs/dbraw/zinc/17/02/32/1223170232.db2.gz YEWSGYAKVMTKLR-INIZCTEOSA-N 1 3 364.490 0.147 20 0 FCADHO O=C(COC1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1)NC1CC1 ZINC001160743667 1223170233 /nfs/dbraw/zinc/17/02/33/1223170233.db2.gz YEWSGYAKVMTKLR-INIZCTEOSA-N 1 3 364.490 0.147 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805767 1223174773 /nfs/dbraw/zinc/17/47/73/1223174773.db2.gz GIUDWHBZFNPZKT-SFHVURJKSA-N 1 3 374.533 0.474 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915636 1223180548 /nfs/dbraw/zinc/18/05/48/1223180548.db2.gz HNKQTNJRPPBKAE-HNNXBMFYSA-N 1 3 363.437 0.147 20 0 FCADHO COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161145739 1223187170 /nfs/dbraw/zinc/18/71/70/1223187170.db2.gz ITMRYEIXMFVZNR-SJORKVTESA-N 1 3 362.474 0.329 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N(c2ccncc2F)C2CC[NH2+]CC2)C1=O ZINC001161385970 1223197897 /nfs/dbraw/zinc/19/78/97/1223197897.db2.gz CYHOTEGBZGSSFW-HNNXBMFYSA-N 1 3 363.437 0.646 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1Cc3ccccc3C1)CC2 ZINC001161480841 1223200790 /nfs/dbraw/zinc/20/07/90/1223200790.db2.gz VMGBPUAVNAWATR-FUHIMQAGSA-N 1 3 357.454 0.482 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(N)Cc1ccc(F)cc1)CC2 ZINC001161479718 1223201013 /nfs/dbraw/zinc/20/10/13/1223201013.db2.gz LPQJRCLPFZLKGE-AYOQOUSVSA-N 1 3 363.433 0.839 20 0 FCADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001161602208 1223205496 /nfs/dbraw/zinc/20/54/96/1223205496.db2.gz URJCTNUQCYLDLI-ZDUSSCGKSA-N 1 3 361.446 0.313 20 0 FCADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001161602208 1223205499 /nfs/dbraw/zinc/20/54/99/1223205499.db2.gz URJCTNUQCYLDLI-ZDUSSCGKSA-N 1 3 361.446 0.313 20 0 FCADHO O=C1N[C@H](c2ccc(NCc3nnn4c3CNCCC4)cc2)CC12C[NH2+]C2 ZINC001162971865 1223222546 /nfs/dbraw/zinc/22/25/46/1223222546.db2.gz PLFRALAVRLHKRX-HNNXBMFYSA-N 1 3 367.457 0.534 20 0 FCADHO Cc1cc(OC2CC[NH2+]CC2)nc(NCc2nnn3c2CNCCC3)n1 ZINC001162972919 1223222726 /nfs/dbraw/zinc/22/27/26/1223222726.db2.gz LQQDWEQWOMSCMD-UHFFFAOYSA-N 1 3 358.450 0.613 20 0 FCADHO C[NH+]1CCN(c2cccc(N3CC([C@@H](N)C(=O)OC(C)(C)C)C3)n2)CC1 ZINC001163118829 1223226861 /nfs/dbraw/zinc/22/68/61/1223226861.db2.gz DJHYZWHWWBFQCN-QGZVFWFLSA-N 1 3 361.490 0.939 20 0 FCADHO CN1CCC(NC(=O)c2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316130 1223229310 /nfs/dbraw/zinc/22/93/10/1223229310.db2.gz OPPZGNGERFEVNT-KXBFYZLASA-N 1 3 374.489 0.624 20 0 FCADHO CN(C)C1(CNc2cc(C(=O)N3CCN(C)CC3)ccn2)CC[NH+](C)CC1 ZINC001164206949 1223236341 /nfs/dbraw/zinc/23/63/41/1223236341.db2.gz MJABQJXROIQGTA-UHFFFAOYSA-N 1 3 374.533 0.907 20 0 FCADHO COCCNC(=O)[C@H]1Cn2nccc2CN(CC2(C)CC[NH+](C)CC2)C1 ZINC001208110912 1223516584 /nfs/dbraw/zinc/51/65/84/1223516584.db2.gz XWZYBKCAIKREFO-MRXNPFEDSA-N 1 3 363.506 0.809 20 0 FCADHO C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208484890 1223550542 /nfs/dbraw/zinc/55/05/42/1223550542.db2.gz BZTZJCQQZYLPLS-ZIAGYGMSSA-N 1 3 367.494 0.095 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001208613047 1223563605 /nfs/dbraw/zinc/56/36/05/1223563605.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 1 3 366.550 0.831 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208613047 1223563607 /nfs/dbraw/zinc/56/36/07/1223563607.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 1 3 366.550 0.831 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149718 1223600694 /nfs/dbraw/zinc/60/06/94/1223600694.db2.gz CSKCXVYZHILCGO-CRAIPNDOSA-N 1 3 368.522 0.308 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350739 1223736551 /nfs/dbraw/zinc/73/65/51/1223736551.db2.gz WIRZKYQSCBABIX-SJLPKXTDSA-N 1 3 368.522 0.452 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638587 1223826128 /nfs/dbraw/zinc/82/61/28/1223826128.db2.gz VVCVIRADIAQJGR-QZTJIDSGSA-N 1 3 371.522 0.729 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597728 1223924804 /nfs/dbraw/zinc/92/48/04/1223924804.db2.gz OIGRYTREZAPUMW-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597728 1223924808 /nfs/dbraw/zinc/92/48/08/1223924808.db2.gz OIGRYTREZAPUMW-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NCC1CCC1 ZINC001214646786 1223929087 /nfs/dbraw/zinc/92/90/87/1223929087.db2.gz YAXBBPATRLNOKC-ZTFGCOKTSA-N 1 3 362.518 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001214646422 1223929331 /nfs/dbraw/zinc/92/93/31/1223929331.db2.gz RWOLSGQNFOVSSU-ZTFGCOKTSA-N 1 3 362.518 0.633 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214665503 1223930871 /nfs/dbraw/zinc/93/08/71/1223930871.db2.gz DCYXPJIPOXYHKZ-YYIAUSFCSA-N 1 3 368.522 0.306 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214665503 1223930874 /nfs/dbraw/zinc/93/08/74/1223930874.db2.gz DCYXPJIPOXYHKZ-YYIAUSFCSA-N 1 3 368.522 0.306 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214860930 1223948829 /nfs/dbraw/zinc/94/88/29/1223948829.db2.gz BMBHKGHXMVRXSL-RHSMWYFYSA-N 1 3 362.474 0.817 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)NC1CC1 ZINC001214948751 1223958562 /nfs/dbraw/zinc/95/85/62/1223958562.db2.gz YUMYDCFEJNWZQY-HLLBOEOZSA-N 1 3 362.518 0.966 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396820 1223996484 /nfs/dbraw/zinc/99/64/84/1223996484.db2.gz FBHOWPDHLTZKTB-LTIDMASMSA-N 1 3 368.522 0.306 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396820 1223996486 /nfs/dbraw/zinc/99/64/86/1223996486.db2.gz FBHOWPDHLTZKTB-LTIDMASMSA-N 1 3 368.522 0.306 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n(C)n1 ZINC001215423308 1223998866 /nfs/dbraw/zinc/99/88/66/1223998866.db2.gz GMTTWNAPNZAEDA-UKRRQHHQSA-N 1 3 364.494 0.445 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCc1ccccc1F ZINC001215458691 1224000447 /nfs/dbraw/zinc/00/04/47/1224000447.db2.gz FSKWNFZHLVGQHC-RHSMWYFYSA-N 1 3 364.465 0.830 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001215476865 1224001213 /nfs/dbraw/zinc/00/12/13/1224001213.db2.gz YYFRZKHKLOBIAD-QGPMSJSTSA-N 1 3 368.522 0.304 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001215686039 1224012242 /nfs/dbraw/zinc/01/22/42/1224012242.db2.gz YKAODMGUNYFPCJ-UKPHBRMFSA-N 1 3 362.430 0.559 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778410 1224017580 /nfs/dbraw/zinc/01/75/80/1224017580.db2.gz JXVHSTRIIXFMHB-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053747 1224032026 /nfs/dbraw/zinc/03/20/26/1224032026.db2.gz WTDGVNAGKXZILM-IAGOWNOFSA-N 1 3 368.522 0.308 20 0 FCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216091621 1224034273 /nfs/dbraw/zinc/03/42/73/1224034273.db2.gz VVNDALOVPMPDKT-NVXWUHKLSA-N 1 3 368.522 0.402 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490379 1224053021 /nfs/dbraw/zinc/05/30/21/1224053021.db2.gz ALMAJDCFVBRAQC-QLFBSQMISA-N 1 3 369.510 0.389 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490379 1224053023 /nfs/dbraw/zinc/05/30/23/1224053023.db2.gz ALMAJDCFVBRAQC-QLFBSQMISA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)Cc1ccco1 ZINC001216752412 1224068515 /nfs/dbraw/zinc/06/85/15/1224068515.db2.gz NXSDAMSWVQMCDR-HLLBOEOZSA-N 1 3 362.474 0.626 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)Cc1ccco1 ZINC001216752412 1224068516 /nfs/dbraw/zinc/06/85/16/1224068516.db2.gz NXSDAMSWVQMCDR-HLLBOEOZSA-N 1 3 362.474 0.626 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216853514 1224079193 /nfs/dbraw/zinc/07/91/93/1224079193.db2.gz FCSKXOSDZRORQM-UMVBOHGHSA-N 1 3 367.494 0.140 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986769974 1248992191 /nfs/dbraw/zinc/99/21/91/1248992191.db2.gz DKLIOCPUJTVLBJ-OAGGEKHMSA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986769974 1248992204 /nfs/dbraw/zinc/99/22/04/1248992204.db2.gz DKLIOCPUJTVLBJ-OAGGEKHMSA-N 1 3 359.474 0.601 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000994055381 1250174048 /nfs/dbraw/zinc/17/40/48/1250174048.db2.gz UABKVWXKRNBYJY-UNEWFSDZSA-N 1 3 359.474 0.505 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504230 1245502282 /nfs/dbraw/zinc/50/22/82/1245502282.db2.gz VPALWRPWDFEODL-INIZCTEOSA-N 1 3 359.474 0.502 20 0 FCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000923485761 1245724857 /nfs/dbraw/zinc/72/48/57/1245724857.db2.gz LFZFFZQAWMCIML-KRWDZBQOSA-N 1 3 374.485 0.446 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC[C@H]4CCOC4)C3)CC2)CC[N@@H+]1C ZINC000941412482 1246607594 /nfs/dbraw/zinc/60/75/94/1246607594.db2.gz HDFUQHGUAWLECR-ZIFCJYIRSA-N 1 3 364.534 0.582 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC[C@H]4CCOC4)C3)CC2)CC[N@H+]1C ZINC000941412482 1246607602 /nfs/dbraw/zinc/60/76/02/1246607602.db2.gz HDFUQHGUAWLECR-ZIFCJYIRSA-N 1 3 364.534 0.582 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620112 1247369730 /nfs/dbraw/zinc/36/97/30/1247369730.db2.gz BQDLMTJZDLKDDI-OAGGEKHMSA-N 1 3 366.506 0.010 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CCO2)CC[N@@H+]1C ZINC000944616438 1247581145 /nfs/dbraw/zinc/58/11/45/1247581145.db2.gz ODLXXLUQJXGVDM-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CCO2)CC[N@H+]1C ZINC000944616438 1247581152 /nfs/dbraw/zinc/58/11/52/1247581152.db2.gz ODLXXLUQJXGVDM-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000945987594 1247774049 /nfs/dbraw/zinc/77/40/49/1247774049.db2.gz ZHBDWBSOUIOYLN-WMHQRMGPSA-N 1 3 363.462 0.025 20 0 FCADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000945987594 1247774059 /nfs/dbraw/zinc/77/40/59/1247774059.db2.gz ZHBDWBSOUIOYLN-WMHQRMGPSA-N 1 3 363.462 0.025 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335723 1250385076 /nfs/dbraw/zinc/38/50/76/1250385076.db2.gz NOSIYHNOMTXETM-IXDOHACOSA-N 1 3 362.518 0.777 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000995833312 1250999425 /nfs/dbraw/zinc/99/94/25/1250999425.db2.gz PWPNDGIVIXFMHH-VYDXJSESSA-N 1 3 366.506 0.045 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001328837821 1265623419 /nfs/dbraw/zinc/62/34/19/1265623419.db2.gz SHSJDCAPHXOSHT-YESZJQIVSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001328837821 1265623429 /nfs/dbraw/zinc/62/34/29/1265623429.db2.gz SHSJDCAPHXOSHT-YESZJQIVSA-N 1 3 364.490 0.099 20 0 FCADHO CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC001004390728 1253311508 /nfs/dbraw/zinc/31/15/08/1253311508.db2.gz LAIYJHOFPVKSGC-WCXIOVBPSA-N 1 3 362.518 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1C ZINC001058251045 1254099539 /nfs/dbraw/zinc/09/95/39/1254099539.db2.gz SRMWRANYFWTDBN-GVDBMIGSSA-N 1 3 370.538 0.240 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1C ZINC001058251045 1254099549 /nfs/dbraw/zinc/09/95/49/1254099549.db2.gz SRMWRANYFWTDBN-GVDBMIGSSA-N 1 3 370.538 0.240 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001065212624 1254493655 /nfs/dbraw/zinc/49/36/55/1254493655.db2.gz RCQBBMPOMXSIOJ-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001065212624 1254493659 /nfs/dbraw/zinc/49/36/59/1254493659.db2.gz RCQBBMPOMXSIOJ-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082653592 1256957175 /nfs/dbraw/zinc/95/71/75/1256957175.db2.gz SLJPDIFEYOKVIJ-PWRQTXRISA-N 1 3 359.474 0.220 20 0 FCADHO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653489 1256958200 /nfs/dbraw/zinc/95/82/00/1256958200.db2.gz NAUGSZWNMZJQRN-MTYXXWPBSA-N 1 3 371.485 0.585 20 0 FCADHO Cc1nc([C@H](C)N[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n[nH]1 ZINC001082828810 1257086395 /nfs/dbraw/zinc/08/63/95/1257086395.db2.gz JYEYIZIYZILYOF-DVOMOZLQSA-N 1 3 364.494 0.721 20 0 FCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4ccncc4)n3)[C@H]2C1 ZINC001083140202 1257389577 /nfs/dbraw/zinc/38/95/77/1257389577.db2.gz RNJWZEADLRNPRW-JCGIZDLHSA-N 1 3 371.441 0.827 20 0 FCADHO CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4ccncc4)n3)[C@H]2C1 ZINC001083140202 1257389587 /nfs/dbraw/zinc/38/95/87/1257389587.db2.gz RNJWZEADLRNPRW-JCGIZDLHSA-N 1 3 371.441 0.827 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)CN1CCN(C)CC1 ZINC001521503673 1266128861 /nfs/dbraw/zinc/12/88/61/1266128861.db2.gz JZIQDDPAQKNQHL-BDXSIMOUSA-N 1 3 352.523 0.533 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937052 1257722878 /nfs/dbraw/zinc/72/28/78/1257722878.db2.gz KFRMIEVHOGTMLU-UHOSZYNNSA-N 1 3 365.518 0.696 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033098 1258533985 /nfs/dbraw/zinc/53/39/85/1258533985.db2.gz QJBJCBALPZWXKI-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085033098 1258533990 /nfs/dbraw/zinc/53/39/90/1258533990.db2.gz QJBJCBALPZWXKI-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033293 1258535707 /nfs/dbraw/zinc/53/57/07/1258535707.db2.gz ZFAIDZOFXWQUFM-BBWFWOEESA-N 1 3 363.506 0.276 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085033293 1258535710 /nfs/dbraw/zinc/53/57/10/1258535710.db2.gz ZFAIDZOFXWQUFM-BBWFWOEESA-N 1 3 363.506 0.276 20 0 FCADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CCN(CCn4cncn4)[C@H]3C2)CC1 ZINC001085050098 1258547392 /nfs/dbraw/zinc/54/73/92/1258547392.db2.gz WQVOFUSEIWVCBM-MSOLQXFVSA-N 1 3 360.506 0.933 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074896 1258568759 /nfs/dbraw/zinc/56/87/59/1258568759.db2.gz HSRLILXBWBUGHU-BBWFWOEESA-N 1 3 363.506 0.276 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074896 1258568764 /nfs/dbraw/zinc/56/87/64/1258568764.db2.gz HSRLILXBWBUGHU-BBWFWOEESA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001100343663 1258908938 /nfs/dbraw/zinc/90/89/38/1258908938.db2.gz MAPDDGZNEDCQAW-XSCHDIRWSA-N 1 3 360.462 0.240 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001100343663 1258908944 /nfs/dbraw/zinc/90/89/44/1258908944.db2.gz MAPDDGZNEDCQAW-XSCHDIRWSA-N 1 3 360.462 0.240 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106664905 1258935900 /nfs/dbraw/zinc/93/59/00/1258935900.db2.gz CAMHHQMQZUUOHP-OWCLPIDISA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001106704747 1258943270 /nfs/dbraw/zinc/94/32/70/1258943270.db2.gz BFEBSIDKKRACTG-BZUAXINKSA-N 1 3 361.490 0.895 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106704909 1258943704 /nfs/dbraw/zinc/94/37/04/1258943704.db2.gz IHVXVYLDBWKHNM-ZIAGYGMSSA-N 1 3 364.494 0.734 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106779183 1258961950 /nfs/dbraw/zinc/96/19/50/1258961950.db2.gz GROLEKPHCPOTAT-HUUCEWRRSA-N 1 3 362.478 0.441 20 0 FCADHO Cn1cc(CN2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)cn1 ZINC001107609340 1259132379 /nfs/dbraw/zinc/13/23/79/1259132379.db2.gz OCHPMAYKLWHWJE-IEBWSBKVSA-N 1 3 363.506 0.859 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001127570977 1259180208 /nfs/dbraw/zinc/18/02/08/1259180208.db2.gz IVNGKVDVGJVVQL-AEFFLSMTSA-N 1 3 366.506 0.062 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccccc2F)CC[N@@H+]1C ZINC001127643873 1259183568 /nfs/dbraw/zinc/18/35/68/1259183568.db2.gz PHWRCQFIPMOUOW-GDBMZVCRSA-N 1 3 364.465 0.830 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccccc2F)CC[N@H+]1C ZINC001127643873 1259183572 /nfs/dbraw/zinc/18/35/72/1259183572.db2.gz PHWRCQFIPMOUOW-GDBMZVCRSA-N 1 3 364.465 0.830 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659764 1259183876 /nfs/dbraw/zinc/18/38/76/1259183876.db2.gz JUVLTEGZQBZUEP-CKEIUWERSA-N 1 3 364.465 0.876 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC001127659764 1259183878 /nfs/dbraw/zinc/18/38/78/1259183878.db2.gz JUVLTEGZQBZUEP-CKEIUWERSA-N 1 3 364.465 0.876 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003806 1259286311 /nfs/dbraw/zinc/28/63/11/1259286311.db2.gz HXIRAKXPYPMSIY-VQHPVUNQSA-N 1 3 364.494 0.386 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003806 1259286320 /nfs/dbraw/zinc/28/63/20/1259286320.db2.gz HXIRAKXPYPMSIY-VQHPVUNQSA-N 1 3 364.494 0.386 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220358 1259348109 /nfs/dbraw/zinc/34/81/09/1259348109.db2.gz WCTWTZHSEQGDID-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129228186 1259349263 /nfs/dbraw/zinc/34/92/63/1259349263.db2.gz HPOBZWYRPKPABO-IXDOHACOSA-N 1 3 364.494 0.386 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228478 1259351446 /nfs/dbraw/zinc/35/14/46/1259351446.db2.gz URMLKWDUSCAYCF-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215536101 1259535071 /nfs/dbraw/zinc/53/50/71/1259535071.db2.gz IKGLQCVCZADEII-BFYDXBDKSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CCN1 ZINC001246157491 1259649354 /nfs/dbraw/zinc/64/93/54/1259649354.db2.gz OUTYXILFMWQTPT-QRQLOZEOSA-N 1 3 374.529 0.768 20 0 FCADHO COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246585102 1259656860 /nfs/dbraw/zinc/65/68/60/1259656860.db2.gz OGWVKUMTICDRSA-UXLLHSPISA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@@H]([N@H+]3C[C@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246585102 1259656867 /nfs/dbraw/zinc/65/68/67/1259656867.db2.gz OGWVKUMTICDRSA-UXLLHSPISA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@@H](N3C[C@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246585102 1259656873 /nfs/dbraw/zinc/65/68/73/1259656873.db2.gz OGWVKUMTICDRSA-UXLLHSPISA-N 1 3 363.458 0.446 20 0 FCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CCCO[C@@]4(CNCCOC4)C3)C[C@H](C1)N2 ZINC001246668266 1259659428 /nfs/dbraw/zinc/65/94/28/1259659428.db2.gz MYBSQZKCMRBTKO-SANTULGFSA-N 1 3 367.490 0.140 20 0 FCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CCCO[C@@]4(CNCCOC4)C3)C[C@H](C1)N2 ZINC001246668266 1259659442 /nfs/dbraw/zinc/65/94/42/1259659442.db2.gz MYBSQZKCMRBTKO-SANTULGFSA-N 1 3 367.490 0.140 20 0 FCADHO c1cncc(N2CCC[C@]3(C2)CN([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709148 1259666371 /nfs/dbraw/zinc/66/63/71/1259666371.db2.gz SDVYSRVBGUIOGA-XLIONFOSSA-N 1 3 357.502 0.847 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246729868 1259671457 /nfs/dbraw/zinc/67/14/57/1259671457.db2.gz PWTLUTDLGKNUBY-ZIAGYGMSSA-N 1 3 358.490 0.420 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740565 1259675567 /nfs/dbraw/zinc/67/55/67/1259675567.db2.gz MTPOFOZSARAIMT-NBZXXOOGSA-N 1 3 359.474 0.684 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740565 1259675572 /nfs/dbraw/zinc/67/55/72/1259675572.db2.gz MTPOFOZSARAIMT-NBZXXOOGSA-N 1 3 359.474 0.684 20 0 FCADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744825 1259676420 /nfs/dbraw/zinc/67/64/20/1259676420.db2.gz LTVVCOONFRCBAF-TVKQPGBESA-N 1 3 372.517 0.976 20 0 FCADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744825 1259676429 /nfs/dbraw/zinc/67/64/29/1259676429.db2.gz LTVVCOONFRCBAF-TVKQPGBESA-N 1 3 372.517 0.976 20 0 FCADHO O=C1N(Cc2ccncc2)CC[C@@]12CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753732 1259679544 /nfs/dbraw/zinc/67/95/44/1259679544.db2.gz CNRYYCJDKWCYOT-UYAOXDASSA-N 1 3 369.513 0.990 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765213 1259684356 /nfs/dbraw/zinc/68/43/56/1259684356.db2.gz INISOKNCESDHCA-AAEZLKGMSA-N 1 3 359.474 0.684 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765213 1259684361 /nfs/dbraw/zinc/68/43/61/1259684361.db2.gz INISOKNCESDHCA-AAEZLKGMSA-N 1 3 359.474 0.684 20 0 FCADHO COCCOc1ccccc1N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247003962 1259696685 /nfs/dbraw/zinc/69/66/85/1259696685.db2.gz NGSFGNLCFSPUTR-QGZVFWFLSA-N 1 3 360.502 0.928 20 0 FCADHO O=C1NC[C@H](c2nc(-c3ccc4c(n3)CCNC4)no2)C12CC[NH2+]CC2 ZINC001247656470 1259704671 /nfs/dbraw/zinc/70/46/71/1259704671.db2.gz FWQVODGMZNBIOQ-GFCCVEGCSA-N 1 3 354.414 0.361 20 0 FCADHO Cn1c(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cccc1=O ZINC001248805859 1259717204 /nfs/dbraw/zinc/71/72/04/1259717204.db2.gz LDRLTLHVVQHAAT-UHFFFAOYSA-N 1 3 356.470 0.709 20 0 FCADHO COCC[N@@H+]1CCO[C@@H]2CN(C[C@@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637774 1259800860 /nfs/dbraw/zinc/80/08/60/1259800860.db2.gz UXDBIXHFUCXLGL-ZHALLVOQSA-N 1 3 368.474 0.826 20 0 FCADHO COCC[N@H+]1CCO[C@@H]2CN(C[C@@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637774 1259800865 /nfs/dbraw/zinc/80/08/65/1259800865.db2.gz UXDBIXHFUCXLGL-ZHALLVOQSA-N 1 3 368.474 0.826 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001335718493 1259803294 /nfs/dbraw/zinc/80/32/94/1259803294.db2.gz ZSSIOJFSYSSNAB-MRXNPFEDSA-N 1 3 353.511 0.714 20 0 FCADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001253186093 1259829366 /nfs/dbraw/zinc/82/93/66/1259829366.db2.gz WLHRGOBXXKXJQX-DLBZAZTESA-N 1 3 370.538 0.831 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1CN([C@@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524244 1259889344 /nfs/dbraw/zinc/88/93/44/1259889344.db2.gz VPEYNPGPWYGZAK-QBPKDAKJSA-N 1 3 361.490 0.866 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1CN([C@@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524244 1259889351 /nfs/dbraw/zinc/88/93/51/1259889351.db2.gz VPEYNPGPWYGZAK-QBPKDAKJSA-N 1 3 361.490 0.866 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN([C@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254523397 1259890739 /nfs/dbraw/zinc/89/07/39/1259890739.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 1 3 366.550 0.973 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN([C@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254523397 1259890744 /nfs/dbraw/zinc/89/07/44/1259890744.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 1 3 366.550 0.973 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1CN([C@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523723 1259890860 /nfs/dbraw/zinc/89/08/60/1259890860.db2.gz VPEYNPGPWYGZAK-MWDXBVQZSA-N 1 3 361.490 0.866 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1CN([C@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523723 1259890867 /nfs/dbraw/zinc/89/08/67/1259890867.db2.gz VPEYNPGPWYGZAK-MWDXBVQZSA-N 1 3 361.490 0.866 20 0 FCADHO CN1CC[C@H](N(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426355 1259911731 /nfs/dbraw/zinc/91/17/31/1259911731.db2.gz COMBLCDGRLAJNL-QILLFSRXSA-N 1 3 365.453 0.521 20 0 FCADHO COc1cccc(OC)c1OC[C@H](O)C[NH2+]CC1(O)CCN(C)CC1 ZINC001335986074 1259931566 /nfs/dbraw/zinc/93/15/66/1259931566.db2.gz IYVFGYKBCBSJBF-CQSZACIVSA-N 1 3 354.447 0.490 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC001331891265 1266302431 /nfs/dbraw/zinc/30/24/31/1266302431.db2.gz YGNFILPYUALQKB-IAGOWNOFSA-N 1 3 366.506 0.698 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001336256669 1260059539 /nfs/dbraw/zinc/05/95/39/1260059539.db2.gz RBLNJAOXMUEVEB-FGTMMUONSA-N 1 3 371.485 0.559 20 0 FCADHO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC001336978190 1260273919 /nfs/dbraw/zinc/27/39/19/1260273919.db2.gz QVSBZOULOCHINB-KRWDZBQOSA-N 1 3 367.515 0.572 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001262599118 1260331273 /nfs/dbraw/zinc/33/12/73/1260331273.db2.gz PFGZUXOHSSNPOF-IEBWSBKVSA-N 1 3 373.501 0.807 20 0 FCADHO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CCN3C3CCCCC3)C[C@@H]21 ZINC001273141773 1260606140 /nfs/dbraw/zinc/60/61/40/1260606140.db2.gz SWVKENURBNLUGQ-QYZOEREBSA-N 1 3 364.534 0.867 20 0 FCADHO CCOCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001280150182 1261015990 /nfs/dbraw/zinc/01/59/90/1261015990.db2.gz AVFUCNHBMPIPOX-IRXDYDNUSA-N 1 3 361.490 0.432 20 0 FCADHO CCOCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001280150182 1261015993 /nfs/dbraw/zinc/01/59/93/1261015993.db2.gz AVFUCNHBMPIPOX-IRXDYDNUSA-N 1 3 361.490 0.432 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258846 1261043903 /nfs/dbraw/zinc/04/39/03/1261043903.db2.gz OMLRYFJMEYMBPV-DOTOQJQBSA-N 1 3 361.490 0.706 20 0 FCADHO C[N@H+]1CCC[C@H](CN2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258846 1261043909 /nfs/dbraw/zinc/04/39/09/1261043909.db2.gz OMLRYFJMEYMBPV-DOTOQJQBSA-N 1 3 361.490 0.706 20 0 FCADHO CN1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258846 1261043914 /nfs/dbraw/zinc/04/39/14/1261043914.db2.gz OMLRYFJMEYMBPV-DOTOQJQBSA-N 1 3 361.490 0.706 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580321765 1278123355 /nfs/dbraw/zinc/12/33/55/1278123355.db2.gz IAWJTPOBMKWDER-FRFSOERESA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580321765 1278123359 /nfs/dbraw/zinc/12/33/59/1278123359.db2.gz IAWJTPOBMKWDER-FRFSOERESA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580321765 1278123366 /nfs/dbraw/zinc/12/33/66/1278123366.db2.gz IAWJTPOBMKWDER-FRFSOERESA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580321765 1278123374 /nfs/dbraw/zinc/12/33/74/1278123374.db2.gz IAWJTPOBMKWDER-FRFSOERESA-N 1 3 369.473 0.755 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1O ZINC001289146532 1262127436 /nfs/dbraw/zinc/12/74/36/1262127436.db2.gz UQSZRMZTBBDOLU-GVDBMIGSSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1O ZINC001289146532 1262127438 /nfs/dbraw/zinc/12/74/38/1262127438.db2.gz UQSZRMZTBBDOLU-GVDBMIGSSA-N 1 3 368.522 0.138 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859044 1262358941 /nfs/dbraw/zinc/35/89/41/1262358941.db2.gz KMXJEEVMBQSBDL-BRWVUGGUSA-N 1 3 364.534 0.975 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001289859044 1262358949 /nfs/dbraw/zinc/35/89/49/1262358949.db2.gz KMXJEEVMBQSBDL-BRWVUGGUSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580345050 1278139905 /nfs/dbraw/zinc/13/99/05/1278139905.db2.gz FOXFZJJLLHCKOL-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001580345050 1278139911 /nfs/dbraw/zinc/13/99/11/1278139911.db2.gz FOXFZJJLLHCKOL-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290873474 1262525337 /nfs/dbraw/zinc/52/53/37/1262525337.db2.gz FFNLAOCZQQHOPX-SFHVURJKSA-N 1 3 362.522 0.965 20 0 FCADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290873474 1262525340 /nfs/dbraw/zinc/52/53/40/1262525340.db2.gz FFNLAOCZQQHOPX-SFHVURJKSA-N 1 3 362.522 0.965 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21)N(C)C ZINC001494476456 1263771259 /nfs/dbraw/zinc/77/12/59/1263771259.db2.gz SRKHRRZRLRADGK-FFRIZKCHSA-N 1 3 350.507 0.486 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21)N(C)C ZINC001494476456 1263771276 /nfs/dbraw/zinc/77/12/76/1263771276.db2.gz SRKHRRZRLRADGK-FFRIZKCHSA-N 1 3 350.507 0.486 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001322598952 1264227749 /nfs/dbraw/zinc/22/77/49/1264227749.db2.gz WGDLITDUYNYUEI-IRXDYDNUSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580401944 1278231206 /nfs/dbraw/zinc/23/12/06/1278231206.db2.gz DLZHHHSUPYWHNQ-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580401944 1278231219 /nfs/dbraw/zinc/23/12/19/1278231219.db2.gz DLZHHHSUPYWHNQ-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580404195 1278236958 /nfs/dbraw/zinc/23/69/58/1278236958.db2.gz WIIZFUIKMWHGDD-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580404195 1278236976 /nfs/dbraw/zinc/23/69/76/1278236976.db2.gz WIIZFUIKMWHGDD-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC001325665578 1264964549 /nfs/dbraw/zinc/96/45/49/1264964549.db2.gz FRGCDRSXYHYBPM-SFHVURJKSA-N 1 3 361.490 0.303 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+](C)C ZINC001580406556 1278243685 /nfs/dbraw/zinc/24/36/85/1278243685.db2.gz OTUCPMIGUXMENV-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+](C)C ZINC001580406556 1278243699 /nfs/dbraw/zinc/24/36/99/1278243699.db2.gz OTUCPMIGUXMENV-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC(CN1CCN([C@@H]2CCOC2)CC1)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001327498242 1265341943 /nfs/dbraw/zinc/34/19/43/1265341943.db2.gz FHWUFSWRGUYDOM-WOJBJXKFSA-N 1 3 366.550 0.436 20 0 FCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001327523421 1265350095 /nfs/dbraw/zinc/35/00/95/1265350095.db2.gz JQFOIZLDPWQGLK-QGZVFWFLSA-N 1 3 359.474 0.217 20 0 FCADHO OCC1(O)CCN(Cc2ccc(C[NH+]3CCC(O)(CO)CC3)cc2)CC1 ZINC001327583670 1265364734 /nfs/dbraw/zinc/36/47/34/1265364734.db2.gz RMWWGLUPRRRWCR-UHFFFAOYSA-N 1 3 364.486 0.325 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397695 1266591989 /nfs/dbraw/zinc/59/19/89/1266591989.db2.gz MMPMPISWAVRPMK-HZPDHXFCSA-N 1 3 366.506 0.252 20 0 FCADHO C[C@@H](NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001334211939 1266887860 /nfs/dbraw/zinc/88/78/60/1266887860.db2.gz BUCJZASWFMGYOO-HZPDHXFCSA-N 1 3 365.522 0.890 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001334480114 1267027651 /nfs/dbraw/zinc/02/76/51/1267027651.db2.gz YFUKQYWXSOTEDB-QGZVFWFLSA-N 1 3 362.526 0.374 20 0 FCADHO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001334480114 1267027655 /nfs/dbraw/zinc/02/76/55/1267027655.db2.gz YFUKQYWXSOTEDB-QGZVFWFLSA-N 1 3 362.526 0.374 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C[C@@H]2[NH3+])cn1 ZINC001549034822 1267793074 /nfs/dbraw/zinc/79/30/74/1267793074.db2.gz SHEJDBJTTZOJRA-WDSOQIARSA-N 1 3 368.485 0.980 20 0 FCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204827 1268092336 /nfs/dbraw/zinc/09/23/36/1268092336.db2.gz SUOHPZPMGOBDSF-HOTGVXAUSA-N 1 3 350.507 0.953 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)N(C)C1 ZINC001550762515 1268164889 /nfs/dbraw/zinc/16/48/89/1268164889.db2.gz POSYPHWMEAIJQA-HRCADAONSA-N 1 3 354.495 0.506 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccccc1F ZINC001550911008 1268182760 /nfs/dbraw/zinc/18/27/60/1268182760.db2.gz CUJSTIDUQVLBFK-QFBILLFUSA-N 1 3 362.449 0.678 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@@H](O)C[C@@H]3C2)CC1 ZINC001551276658 1268221228 /nfs/dbraw/zinc/22/12/28/1268221228.db2.gz HHCSWKYPPZCZNM-ISXWCOSWSA-N 1 3 366.506 0.480 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@H+]3C[C@@H](O)C[C@@H]3C2)CC1 ZINC001551276658 1268221234 /nfs/dbraw/zinc/22/12/34/1268221234.db2.gz HHCSWKYPPZCZNM-ISXWCOSWSA-N 1 3 366.506 0.480 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464165 1268257080 /nfs/dbraw/zinc/25/70/80/1268257080.db2.gz CADGOOJMOOGVLN-JKSUJKDBSA-N 1 3 354.495 0.555 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464158 1268257221 /nfs/dbraw/zinc/25/72/21/1268257221.db2.gz CADGOOJMOOGVLN-HOTGVXAUSA-N 1 3 354.495 0.555 20 0 FCADHO O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001551468858 1268257932 /nfs/dbraw/zinc/25/79/32/1268257932.db2.gz UUBGDTZCKJHCTF-RTBURBONSA-N 1 3 373.501 0.052 20 0 FCADHO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001551489322 1268261431 /nfs/dbraw/zinc/26/14/31/1268261431.db2.gz BWQZYLLAZSXYMR-YVTWGWGSSA-N 1 3 372.469 0.703 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001339767753 1268323077 /nfs/dbraw/zinc/32/30/77/1268323077.db2.gz JHYAHTDGGHPRGE-OAHLLOKOSA-N 1 3 353.463 0.146 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552201426 1268408122 /nfs/dbraw/zinc/40/81/22/1268408122.db2.gz WABALHHKDBQEDA-AZUAARDMSA-N 1 3 358.486 0.286 20 0 FCADHO CN(C)CCn1c2cc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)ccc2oc1=O ZINC001552201470 1268408174 /nfs/dbraw/zinc/40/81/74/1268408174.db2.gz NZUAOTNXDIAAFR-KPZWWZAWSA-N 1 3 360.414 0.331 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)C[C@H](C)O1 ZINC001552283484 1268431946 /nfs/dbraw/zinc/43/19/46/1268431946.db2.gz STLBQZHIQPIIEJ-SOLBZPMBSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283514 1268432097 /nfs/dbraw/zinc/43/20/97/1268432097.db2.gz SYIRBWDCJZXJSZ-HIRMHNASSA-N 1 3 351.491 0.570 20 0 FCADHO Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001340102710 1268435338 /nfs/dbraw/zinc/43/53/38/1268435338.db2.gz CSRKOJWTUAFPRV-INIZCTEOSA-N 1 3 361.538 0.841 20 0 FCADHO Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001340102710 1268435342 /nfs/dbraw/zinc/43/53/42/1268435342.db2.gz CSRKOJWTUAFPRV-INIZCTEOSA-N 1 3 361.538 0.841 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC001552340803 1268444319 /nfs/dbraw/zinc/44/43/19/1268444319.db2.gz BWMYOWGZQZLABG-AWEZNQCLSA-N 1 3 351.520 0.999 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COc2ccccc2C1 ZINC001340696070 1268625800 /nfs/dbraw/zinc/62/58/00/1268625800.db2.gz CKASHHWHHILBNX-INIZCTEOSA-N 1 3 362.474 0.058 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)CC2)nc1 ZINC001553425814 1268648924 /nfs/dbraw/zinc/64/89/24/1268648924.db2.gz UMYSGUZVWQUTJH-ULQDDVLXSA-N 1 3 359.474 0.311 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N2CCCC[C@@H]3[C@@H]([NH3+])[C@H]32)CC1 ZINC001553555493 1268669665 /nfs/dbraw/zinc/66/96/65/1268669665.db2.gz IZNWZQSFYMGMTD-OAGGEKHMSA-N 1 3 363.506 0.724 20 0 FCADHO NCc1nnc(-c2ccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)cc2)[nH]1 ZINC001554035218 1268745279 /nfs/dbraw/zinc/74/52/79/1268745279.db2.gz GAGKKMCBTUULOS-LBPRGKRZSA-N 1 3 353.390 0.309 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001341117987 1268792188 /nfs/dbraw/zinc/79/21/88/1268792188.db2.gz CBJFJTRITKNEAM-RCCFBDPRSA-N 1 3 362.518 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001566053355 1269586467 /nfs/dbraw/zinc/58/64/67/1269586467.db2.gz ZNGXWDRTVUFOJS-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001566053355 1269586474 /nfs/dbraw/zinc/58/64/74/1269586474.db2.gz ZNGXWDRTVUFOJS-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](O)[C@@H](CO)C3)CC2)CC1 ZINC001570401647 1269876311 /nfs/dbraw/zinc/87/63/11/1269876311.db2.gz KNWVEBJHMIZXNH-AEFFLSMTSA-N 1 3 353.507 0.384 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C1(N(C)C)CCC1 ZINC001572539094 1270091410 /nfs/dbraw/zinc/09/14/10/1270091410.db2.gz BIRSFYNQQDLSRO-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)C1(N(C)C)CCC1 ZINC001572539094 1270091420 /nfs/dbraw/zinc/09/14/20/1270091420.db2.gz BIRSFYNQQDLSRO-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO O=C(NC[C@]1(O)CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001580635366 1278596097 /nfs/dbraw/zinc/59/60/97/1278596097.db2.gz NLXGMUGCIDUZEG-WBVHZDCISA-N 1 3 353.413 0.984 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877303 1271635433 /nfs/dbraw/zinc/63/54/33/1271635433.db2.gz QUKRLZYZGHUSRO-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877303 1271635439 /nfs/dbraw/zinc/63/54/39/1271635439.db2.gz QUKRLZYZGHUSRO-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877303 1271635445 /nfs/dbraw/zinc/63/54/45/1271635445.db2.gz QUKRLZYZGHUSRO-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877303 1271635447 /nfs/dbraw/zinc/63/54/47/1271635447.db2.gz QUKRLZYZGHUSRO-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896184 1271659337 /nfs/dbraw/zinc/65/93/37/1271659337.db2.gz BVXAPDGDLQKCSX-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896184 1271659343 /nfs/dbraw/zinc/65/93/43/1271659343.db2.gz BVXAPDGDLQKCSX-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575115957 1271728114 /nfs/dbraw/zinc/72/81/14/1271728114.db2.gz UAGTXRTWGWELCV-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575115957 1271728122 /nfs/dbraw/zinc/72/81/22/1271728122.db2.gz UAGTXRTWGWELCV-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575115957 1271728130 /nfs/dbraw/zinc/72/81/30/1271728130.db2.gz UAGTXRTWGWELCV-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575115957 1271728142 /nfs/dbraw/zinc/72/81/42/1271728142.db2.gz UAGTXRTWGWELCV-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575403516 1272054624 /nfs/dbraw/zinc/05/46/24/1272054624.db2.gz WTGSZZZDWNNNSP-ZIAGYGMSSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575403516 1272054630 /nfs/dbraw/zinc/05/46/30/1272054630.db2.gz WTGSZZZDWNNNSP-ZIAGYGMSSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H](CN(C)C(=O)c1cc([C@H]2CCCN2C)[nH]n1)[NH2+]CCc1c[nH]nn1 ZINC001575556836 1272195715 /nfs/dbraw/zinc/19/57/15/1272195715.db2.gz USPYKXAIOAFJLS-BLLLJJGKSA-N 1 3 360.466 0.587 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566659 1272203667 /nfs/dbraw/zinc/20/36/67/1272203667.db2.gz LEVLMSKUBYQHLT-CVEARBPZSA-N 1 3 364.494 0.144 20 0 FCADHO C[C@H](NCc1c[nH]nn1)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702728 1272327209 /nfs/dbraw/zinc/32/72/09/1272327209.db2.gz OYUOYPMVVMVSBF-DOTOQJQBSA-N 1 3 364.494 0.776 20 0 FCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001580683262 1278706654 /nfs/dbraw/zinc/70/66/54/1278706654.db2.gz RMYODXDYXYVPQM-WIYYLYMNSA-N 1 3 372.513 0.941 20 0 FCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576247420 1273029049 /nfs/dbraw/zinc/02/90/49/1273029049.db2.gz PGGDVALKDNIHMS-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCc3c[nH]nn3)CCOCC2)C1 ZINC001576486719 1273334370 /nfs/dbraw/zinc/33/43/70/1273334370.db2.gz ZRXOJCDZUUMKQP-HNNXBMFYSA-N 1 3 364.494 0.682 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCc3c[nH]nn3)CCOCC2)C1 ZINC001576486719 1273334381 /nfs/dbraw/zinc/33/43/81/1273334381.db2.gz ZRXOJCDZUUMKQP-HNNXBMFYSA-N 1 3 364.494 0.682 20 0 FCADHO CCN(CC[NH2+]CCc1c[nH]nn1)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001576542599 1273426892 /nfs/dbraw/zinc/42/68/92/1273426892.db2.gz UKRDMBIXLJMHIW-MRXNPFEDSA-N 1 3 360.466 0.589 20 0 FCADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576767256 1273645625 /nfs/dbraw/zinc/64/56/25/1273645625.db2.gz LUKJVBNCUQAWQN-BBRMVZONSA-N 1 3 374.493 0.885 20 0 FCADHO CN(CCC[NH2+]CCc1cn[nH]n1)C(=O)C(C)(C)CN1CCOCC1 ZINC001576809732 1273723463 /nfs/dbraw/zinc/72/34/63/1273723463.db2.gz KTRXKCRAINUSJJ-UHFFFAOYSA-N 1 3 352.483 0.144 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001576816439 1273735385 /nfs/dbraw/zinc/73/53/85/1273735385.db2.gz SYHDWVJNTNWBFP-GFCCVEGCSA-N 1 3 357.418 0.456 20 0 FCADHO CN1CCC[C@H]1c1cc(C(=O)N2CCC([NH2+]CCc3c[nH]nn3)CC2)n[nH]1 ZINC001576911622 1273925650 /nfs/dbraw/zinc/92/56/50/1273925650.db2.gz YCABXHLZMLYBAB-KRWDZBQOSA-N 1 3 372.477 0.731 20 0 FCADHO CCCN(C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCN(C)C1 ZINC001577488611 1274446316 /nfs/dbraw/zinc/44/63/16/1274446316.db2.gz CBZJHBLHTXDDOD-LSDHHAIUSA-N 1 3 352.479 0.797 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668842 1274694096 /nfs/dbraw/zinc/69/40/96/1274694096.db2.gz NPNMXXUHPWWOFY-CJNGLKHVSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668842 1274694104 /nfs/dbraw/zinc/69/41/04/1274694104.db2.gz NPNMXXUHPWWOFY-CJNGLKHVSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673906 1274708545 /nfs/dbraw/zinc/70/85/45/1274708545.db2.gz ZXVDOKPVFCTJJO-BBRMVZONSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673906 1274708552 /nfs/dbraw/zinc/70/85/52/1274708552.db2.gz ZXVDOKPVFCTJJO-BBRMVZONSA-N 1 3 372.477 0.783 20 0 FCADHO CCc1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001578311160 1275648881 /nfs/dbraw/zinc/64/88/81/1275648881.db2.gz DGGQZOVISHQYNZ-IAGOWNOFSA-N 1 3 363.554 0.899 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1C[C@H]2COC[C@@H]2[NH2+]1 ZINC001578324165 1275670514 /nfs/dbraw/zinc/67/05/14/1275670514.db2.gz HKYOOSNTVNQPAB-ULQDDVLXSA-N 1 3 362.522 0.995 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)n1 ZINC001578418782 1275787629 /nfs/dbraw/zinc/78/76/29/1275787629.db2.gz HWGSQMHANVUTFK-AWEZNQCLSA-N 1 3 356.430 0.909 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528122 1275959207 /nfs/dbraw/zinc/95/92/07/1275959207.db2.gz DMMSFJAQQXPOMV-MSOLQXFVSA-N 1 3 356.470 0.638 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528123 1275960117 /nfs/dbraw/zinc/96/01/17/1275960117.db2.gz DMMSFJAQQXPOMV-QZTJIDSGSA-N 1 3 356.470 0.638 20 0 FCADHO COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001578841181 1276360454 /nfs/dbraw/zinc/36/04/54/1276360454.db2.gz XRQDPXNALMWXEC-JGTCGTHISA-N 1 3 355.454 0.938 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001578975735 1276526538 /nfs/dbraw/zinc/52/65/38/1276526538.db2.gz GBEQQOQSRHPMOH-CYBMUJFWSA-N 1 3 361.425 0.648 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001578975735 1276526541 /nfs/dbraw/zinc/52/65/41/1276526541.db2.gz GBEQQOQSRHPMOH-CYBMUJFWSA-N 1 3 361.425 0.648 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578980371 1276540632 /nfs/dbraw/zinc/54/06/32/1276540632.db2.gz IBVGTBRLPORNKN-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578980371 1276540634 /nfs/dbraw/zinc/54/06/34/1276540634.db2.gz IBVGTBRLPORNKN-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578980371 1276540637 /nfs/dbraw/zinc/54/06/37/1276540637.db2.gz IBVGTBRLPORNKN-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578980371 1276540640 /nfs/dbraw/zinc/54/06/40/1276540640.db2.gz IBVGTBRLPORNKN-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001578988495 1276562007 /nfs/dbraw/zinc/56/20/07/1276562007.db2.gz YEKSDKVEEXXAHU-JOCQHMNTSA-N 1 3 361.425 0.694 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001578988495 1276562015 /nfs/dbraw/zinc/56/20/15/1276562015.db2.gz YEKSDKVEEXXAHU-JOCQHMNTSA-N 1 3 361.425 0.694 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578991801 1276565583 /nfs/dbraw/zinc/56/55/83/1276565583.db2.gz ZQVDTIAAEIBMAH-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578991801 1276565588 /nfs/dbraw/zinc/56/55/88/1276565588.db2.gz ZQVDTIAAEIBMAH-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579020958 1276599676 /nfs/dbraw/zinc/59/96/76/1276599676.db2.gz IHEMWNKSSPGFSE-LSDHHAIUSA-N 1 3 352.483 0.506 20 0 FCADHO COCCN1CCC(NC(=O)N2C[C@@H](C)OC3(CC[NH2+]CC3)C2)CC1 ZINC001579038212 1276623462 /nfs/dbraw/zinc/62/34/62/1276623462.db2.gz DOQOJSUVKJRBNM-OAHLLOKOSA-N 1 3 354.495 0.650 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326479 1277150045 /nfs/dbraw/zinc/15/00/45/1277150045.db2.gz JYFQMSSUVNBOSH-CABCVRRESA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326479 1277150048 /nfs/dbraw/zinc/15/00/48/1277150048.db2.gz JYFQMSSUVNBOSH-CABCVRRESA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326479 1277150051 /nfs/dbraw/zinc/15/00/51/1277150051.db2.gz JYFQMSSUVNBOSH-CABCVRRESA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326479 1277150054 /nfs/dbraw/zinc/15/00/54/1277150054.db2.gz JYFQMSSUVNBOSH-CABCVRRESA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334002 1277170792 /nfs/dbraw/zinc/17/07/92/1277170792.db2.gz UJVGBQUHSPVUSV-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334002 1277170794 /nfs/dbraw/zinc/17/07/94/1277170794.db2.gz UJVGBQUHSPVUSV-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334002 1277170795 /nfs/dbraw/zinc/17/07/95/1277170795.db2.gz UJVGBQUHSPVUSV-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334002 1277170796 /nfs/dbraw/zinc/17/07/96/1277170796.db2.gz UJVGBQUHSPVUSV-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335806 1277176932 /nfs/dbraw/zinc/17/69/32/1277176932.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335806 1277176935 /nfs/dbraw/zinc/17/69/35/1277176935.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335806 1277176937 /nfs/dbraw/zinc/17/69/37/1277176937.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335806 1277176940 /nfs/dbraw/zinc/17/69/40/1277176940.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335806 1277176944 /nfs/dbraw/zinc/17/69/44/1277176944.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335806 1277176947 /nfs/dbraw/zinc/17/69/47/1277176947.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335806 1277176950 /nfs/dbraw/zinc/17/69/50/1277176950.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335806 1277176953 /nfs/dbraw/zinc/17/69/53/1277176953.db2.gz VLRRCDSXHOTVLN-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339563 1277183559 /nfs/dbraw/zinc/18/35/59/1277183559.db2.gz JLNGUORAAYUXPX-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339563 1277183562 /nfs/dbraw/zinc/18/35/62/1277183562.db2.gz JLNGUORAAYUXPX-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339563 1277183563 /nfs/dbraw/zinc/18/35/63/1277183563.db2.gz JLNGUORAAYUXPX-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339563 1277183566 /nfs/dbraw/zinc/18/35/66/1277183566.db2.gz JLNGUORAAYUXPX-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001579340017 1277185212 /nfs/dbraw/zinc/18/52/12/1277185212.db2.gz PGUADOVBQQYYFH-IYBDPMFKSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001579340017 1277185213 /nfs/dbraw/zinc/18/52/13/1277185213.db2.gz PGUADOVBQQYYFH-IYBDPMFKSA-N 1 3 369.473 0.945 20 0 FCADHO COc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)cc1-c1nnn[n-]1 ZINC001580019410 1277991793 /nfs/dbraw/zinc/99/17/93/1277991793.db2.gz CMRLEZWYZQMLSV-UHFFFAOYSA-N 1 3 373.461 0.565 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949044 1279155332 /nfs/dbraw/zinc/15/53/32/1279155332.db2.gz LNDKNFFBDQQZNV-GFCCVEGCSA-N 1 3 358.450 0.464 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949044 1279155334 /nfs/dbraw/zinc/15/53/34/1279155334.db2.gz LNDKNFFBDQQZNV-GFCCVEGCSA-N 1 3 358.450 0.464 20 0 FCADHO Cc1cc(N[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991130 1279193519 /nfs/dbraw/zinc/19/35/19/1279193519.db2.gz LDAYBARKXMOBOX-CZUORRHYSA-N 1 3 374.493 0.837 20 0 FCADHO Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994876 1279202849 /nfs/dbraw/zinc/20/28/49/1279202849.db2.gz RZFYOMLDQKUZLI-JSGCOSHPSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994876 1279202856 /nfs/dbraw/zinc/20/28/56/1279202856.db2.gz RZFYOMLDQKUZLI-JSGCOSHPSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(NC[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013657 1279240268 /nfs/dbraw/zinc/24/02/68/1279240268.db2.gz UVPIAIPLFBKRRP-OCCSQVGLSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(NC[C@H](C)N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013657 1279240271 /nfs/dbraw/zinc/24/02/71/1279240271.db2.gz UVPIAIPLFBKRRP-OCCSQVGLSA-N 1 3 372.477 0.593 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592748211 1285669830 /nfs/dbraw/zinc/66/98/30/1285669830.db2.gz KSCFYRRBPVILEC-IKGGRYGDSA-N 1 3 358.446 0.728 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592748211 1285669836 /nfs/dbraw/zinc/66/98/36/1285669836.db2.gz KSCFYRRBPVILEC-IKGGRYGDSA-N 1 3 358.446 0.728 20 0 FCADHO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]C[C@@H]2CNCCO2)CC1 ZINC001593548147 1286200852 /nfs/dbraw/zinc/20/08/52/1286200852.db2.gz WORYXFZVTMESQP-KRWDZBQOSA-N 1 3 357.462 0.409 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001719231556 1287909174 /nfs/dbraw/zinc/90/91/74/1287909174.db2.gz GBSCHXCHIZFHLK-HUUCEWRRSA-N 1 3 366.506 0.155 20 0 FCADHO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001609408853 1289140521 /nfs/dbraw/zinc/14/05/21/1289140521.db2.gz NTRITHURFCCTSJ-AGUYFDCRSA-N 1 3 370.461 0.488 20 0 FCADHO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001609408853 1289140526 /nfs/dbraw/zinc/14/05/26/1289140526.db2.gz NTRITHURFCCTSJ-AGUYFDCRSA-N 1 3 370.461 0.488 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001727529429 1288515057 /nfs/dbraw/zinc/51/50/57/1288515057.db2.gz LERDRXHLTLUGDN-DAYGRLMNSA-N 1 3 350.511 0.826 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001727529429 1288515061 /nfs/dbraw/zinc/51/50/61/1288515061.db2.gz LERDRXHLTLUGDN-DAYGRLMNSA-N 1 3 350.511 0.826 20 0 FCADHO C[C@@H](C(=O)N(C)C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001732085677 1288574200 /nfs/dbraw/zinc/57/42/00/1288574200.db2.gz VNQQZZWSIZJHKM-HLLBOEOZSA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H](C(=O)N(C)C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001732085677 1288574202 /nfs/dbraw/zinc/57/42/02/1288574202.db2.gz VNQQZZWSIZJHKM-HLLBOEOZSA-N 1 3 352.523 0.974 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001692031686 1289371447 /nfs/dbraw/zinc/37/14/47/1289371447.db2.gz NLPGKMVFSCLGKZ-HZPDHXFCSA-N 1 3 366.506 0.156 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001692083222 1289388869 /nfs/dbraw/zinc/38/88/69/1289388869.db2.gz OIINFIRLIHEJGX-SJORKVTESA-N 1 3 350.507 0.731 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001692083222 1289388875 /nfs/dbraw/zinc/38/88/75/1289388875.db2.gz OIINFIRLIHEJGX-SJORKVTESA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001692096832 1289399183 /nfs/dbraw/zinc/39/91/83/1289399183.db2.gz HGSSUTLWEQQEIB-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001692096832 1289399189 /nfs/dbraw/zinc/39/91/89/1289399189.db2.gz HGSSUTLWEQQEIB-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO Cc1nnc(NC(=O)CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001699101365 1289545989 /nfs/dbraw/zinc/54/59/89/1289545989.db2.gz CGCSQUNMFORIPD-DMDPSCGWSA-N 1 3 368.507 0.610 20 0 FCADHO Cc1nnc(NC(=O)CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001699101365 1289545996 /nfs/dbraw/zinc/54/59/96/1289545996.db2.gz CGCSQUNMFORIPD-DMDPSCGWSA-N 1 3 368.507 0.610 20 0 FCADHO CC[C@@H](NC/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309301 1289548825 /nfs/dbraw/zinc/54/88/25/1289548825.db2.gz XRERHVOSVVQMMO-CNPAMDGFSA-N 1 3 358.486 0.858 20 0 FCADHO CC[C@@H](NC/C=C\CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309301 1289548832 /nfs/dbraw/zinc/54/88/32/1289548832.db2.gz XRERHVOSVVQMMO-CNPAMDGFSA-N 1 3 358.486 0.858 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]21 ZINC001702150121 1289754868 /nfs/dbraw/zinc/75/48/68/1289754868.db2.gz OVMPSMPNZAJXEO-JZXOWHBKSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]21 ZINC001702150121 1289754873 /nfs/dbraw/zinc/75/48/73/1289754873.db2.gz OVMPSMPNZAJXEO-JZXOWHBKSA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001753130704 1290621110 /nfs/dbraw/zinc/62/11/10/1290621110.db2.gz XXTMUBHFFOXLQQ-IXDOHACOSA-N 1 3 367.538 0.862 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001753130704 1290621123 /nfs/dbraw/zinc/62/11/23/1290621123.db2.gz XXTMUBHFFOXLQQ-IXDOHACOSA-N 1 3 367.538 0.862 20 0 FCADHO CCO[C@@H]1COC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001676427241 1292204007 /nfs/dbraw/zinc/20/40/07/1292204007.db2.gz YKQGZFHKOUKDLO-IAGOWNOFSA-N 1 3 354.495 0.648 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N[C@H]1CCCN(CCCO)C1 ZINC001685620102 1292574851 /nfs/dbraw/zinc/57/48/51/1292574851.db2.gz USZYFSXVYVNSKF-RCCFBDPRSA-N 1 3 368.522 0.510 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001689100375 1294616820 /nfs/dbraw/zinc/61/68/20/1294616820.db2.gz VBDVEVMNVLZGON-KGLIPLIRSA-N 1 3 369.510 0.376 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001689350191 1294767890 /nfs/dbraw/zinc/76/78/90/1294767890.db2.gz WQPOHYLNFXEXRI-SHUKXNKTSA-N 1 3 350.507 0.990 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001689350191 1294767894 /nfs/dbraw/zinc/76/78/94/1294767894.db2.gz WQPOHYLNFXEXRI-SHUKXNKTSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001690151453 1294861716 /nfs/dbraw/zinc/86/17/16/1294861716.db2.gz MGOOTGRPLUBERX-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N2CCCCC2)C2CC2)CC[N@H+]1C ZINC001690151453 1294861729 /nfs/dbraw/zinc/86/17/29/1294861729.db2.gz MGOOTGRPLUBERX-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CCNC2 ZINC001164930812 721853133 /nfs/dbraw/zinc/85/31/33/721853133.db2.gz SUQZLZRBNHQFAC-GJZGRUSLSA-N 1 3 350.898 0.990 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001071061247 837721286 /nfs/dbraw/zinc/72/12/86/837721286.db2.gz UNLZVJCSDMLQKO-UAGQMJEPSA-N 1 3 353.507 0.837 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231159 844112036 /nfs/dbraw/zinc/11/20/36/844112036.db2.gz UAUWJRRVHZXQID-LMMKCTJWSA-N 1 3 353.507 0.648 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231159 844112039 /nfs/dbraw/zinc/11/20/39/844112039.db2.gz UAUWJRRVHZXQID-LMMKCTJWSA-N 1 3 353.507 0.648 20 0 FCADHO CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000382750254 836051928 /nfs/dbraw/zinc/05/19/28/836051928.db2.gz FIOXMMRONCAFLT-KRWDZBQOSA-N 1 3 352.504 0.590 20 0 FCADHO CCN1CCN(CCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000747566702 836249404 /nfs/dbraw/zinc/24/94/04/836249404.db2.gz FAQKLSQOEQAEOC-RCCFBDPRSA-N 1 3 352.523 0.724 20 0 FCADHO CCN1CCN(CCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000747566698 836249687 /nfs/dbraw/zinc/24/96/87/836249687.db2.gz FAQKLSQOEQAEOC-KZNAEPCWSA-N 1 3 352.523 0.724 20 0 FCADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365798 844162024 /nfs/dbraw/zinc/16/20/24/844162024.db2.gz JWMVSHZGKUTZBK-GJYPPUQNSA-N 1 3 353.507 0.506 20 0 FCADHO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365798 844162028 /nfs/dbraw/zinc/16/20/28/844162028.db2.gz JWMVSHZGKUTZBK-GJYPPUQNSA-N 1 3 353.507 0.506 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061605285 836698378 /nfs/dbraw/zinc/69/83/78/836698378.db2.gz RLTFKRAEPANIMF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061605285 836698382 /nfs/dbraw/zinc/69/83/82/836698382.db2.gz RLTFKRAEPANIMF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H](C3CC3)N(C)C)CCC2)CC[N@@H+]1C ZINC001063365256 836764986 /nfs/dbraw/zinc/76/49/86/836764986.db2.gz OEYFUNMLNVDKDY-BMFZPTHFSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H](C3CC3)N(C)C)CCC2)CC[N@H+]1C ZINC001063365256 836764992 /nfs/dbraw/zinc/76/49/92/836764992.db2.gz OEYFUNMLNVDKDY-BMFZPTHFSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101476205 844200008 /nfs/dbraw/zinc/20/00/08/844200008.db2.gz IAZABVPYNPFFEJ-APWZRJJASA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101476205 844200013 /nfs/dbraw/zinc/20/00/13/844200013.db2.gz IAZABVPYNPFFEJ-APWZRJJASA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477090 844201403 /nfs/dbraw/zinc/20/14/03/844201403.db2.gz BZSPCPGYJWUKFW-MDZRGWNJSA-N 1 3 350.507 0.728 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101477090 844201411 /nfs/dbraw/zinc/20/14/11/844201411.db2.gz BZSPCPGYJWUKFW-MDZRGWNJSA-N 1 3 350.507 0.728 20 0 FCADHO O=C(N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219544 838822652 /nfs/dbraw/zinc/82/26/52/838822652.db2.gz UDVCIDQVXAXCPI-GVDBMIGSSA-N 1 3 351.491 0.450 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299561 838886630 /nfs/dbraw/zinc/88/66/30/838886630.db2.gz HQGQLUHMAQCKRY-IAGOWNOFSA-N 1 3 351.491 0.593 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102049898 844396523 /nfs/dbraw/zinc/39/65/23/844396523.db2.gz JMLFGKCIECOHFS-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102049898 844396527 /nfs/dbraw/zinc/39/65/27/844396527.db2.gz JMLFGKCIECOHFS-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001077778282 839152331 /nfs/dbraw/zinc/15/23/31/839152331.db2.gz AOMIUOHHPSAAEZ-RCCFBDPRSA-N 1 3 353.507 0.839 20 0 FCADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080561128 839747286 /nfs/dbraw/zinc/74/72/86/839747286.db2.gz OMAWKDSJBLRRSW-BFYDXBDKSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080561128 839747292 /nfs/dbraw/zinc/74/72/92/839747292.db2.gz OMAWKDSJBLRRSW-BFYDXBDKSA-N 1 3 350.507 0.728 20 0 FCADHO CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001081894969 840091563 /nfs/dbraw/zinc/09/15/63/840091563.db2.gz LSVJOGISZRAING-BRWVUGGUSA-N 1 3 351.491 0.857 20 0 FCADHO CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001081894969 840091576 /nfs/dbraw/zinc/09/15/76/840091576.db2.gz LSVJOGISZRAING-BRWVUGGUSA-N 1 3 351.491 0.857 20 0 FCADHO CO[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894969 840091591 /nfs/dbraw/zinc/09/15/91/840091591.db2.gz LSVJOGISZRAING-BRWVUGGUSA-N 1 3 351.491 0.857 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082544603 840457688 /nfs/dbraw/zinc/45/76/88/840457688.db2.gz KHACJXSCJPGHRA-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082544603 840457693 /nfs/dbraw/zinc/45/76/93/840457693.db2.gz KHACJXSCJPGHRA-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082557501 840463289 /nfs/dbraw/zinc/46/32/89/840463289.db2.gz JHLXSLRFKSMBAO-OWCLPIDISA-N 1 3 371.547 0.732 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001082576237 840472631 /nfs/dbraw/zinc/47/26/31/840472631.db2.gz XEVSKLZQLPBGJH-CPUCHLNUSA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082608360 840491604 /nfs/dbraw/zinc/49/16/04/840491604.db2.gz SZPICMZYGJLJKQ-VNQPRFMTSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082608360 840491610 /nfs/dbraw/zinc/49/16/10/840491610.db2.gz SZPICMZYGJLJKQ-VNQPRFMTSA-N 1 3 350.507 0.964 20 0 FCADHO Cc1nc([C@H](C)N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n[nH]1 ZINC001102513439 844544315 /nfs/dbraw/zinc/54/43/15/844544315.db2.gz KVUYTPYISHRWCU-VNHYZAJKSA-N 1 3 352.483 0.436 20 0 FCADHO Cc1nc([C@@H](C)N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n[nH]1 ZINC001102513438 844544435 /nfs/dbraw/zinc/54/44/35/844544435.db2.gz KVUYTPYISHRWCU-UMVBOHGHSA-N 1 3 352.483 0.436 20 0 FCADHO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082744186 840544599 /nfs/dbraw/zinc/54/45/99/840544599.db2.gz WTWHVHBFYTUKJB-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082860000 840586785 /nfs/dbraw/zinc/58/67/85/840586785.db2.gz TWUVUUGQBMJLTE-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082860000 840586788 /nfs/dbraw/zinc/58/67/88/840586788.db2.gz TWUVUUGQBMJLTE-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466250 841038245 /nfs/dbraw/zinc/03/82/45/841038245.db2.gz MNLVBHSEVHOXCS-KURKYZTESA-N 1 3 351.491 0.306 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727377 841367753 /nfs/dbraw/zinc/36/77/53/841367753.db2.gz ZSBYTMMNCOLTBH-OWLYRPNTSA-N 1 3 353.507 0.695 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083727377 841367765 /nfs/dbraw/zinc/36/77/65/841367765.db2.gz ZSBYTMMNCOLTBH-OWLYRPNTSA-N 1 3 353.507 0.695 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001083750351 841393810 /nfs/dbraw/zinc/39/38/10/841393810.db2.gz RVDLJDHNKNHVJS-FGTMMUONSA-N 1 3 353.507 0.695 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCCC1 ZINC001083959556 841604903 /nfs/dbraw/zinc/60/49/03/841604903.db2.gz YPWNVNRMYVPNMI-IKGGRYGDSA-N 1 3 351.491 0.449 20 0 FCADHO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084957735 841969685 /nfs/dbraw/zinc/96/96/85/841969685.db2.gz TYWCIVUDSBXODX-NXHRZFHOSA-N 1 3 351.491 0.545 20 0 FCADHO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084957735 841969690 /nfs/dbraw/zinc/96/96/90/841969690.db2.gz TYWCIVUDSBXODX-NXHRZFHOSA-N 1 3 351.491 0.545 20 0 FCADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001087230680 842322165 /nfs/dbraw/zinc/32/21/65/842322165.db2.gz HXYPABIGVMZCMC-IXDOHACOSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCCC2)C1=O ZINC001087245806 842323628 /nfs/dbraw/zinc/32/36/28/842323628.db2.gz LPFMJEXKSYHSTR-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[C@H](C(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2)N(C)C ZINC001276049766 861303837 /nfs/dbraw/zinc/30/38/37/861303837.db2.gz ROBZEJNHNBKLHI-VNCLNFNDSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120108 843393800 /nfs/dbraw/zinc/39/38/00/843393800.db2.gz BNXQPAGFKZEEAH-JKIFEVAISA-N 1 3 350.507 0.666 20 0 FCADHO C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195393 843403770 /nfs/dbraw/zinc/40/37/70/843403770.db2.gz PWRIWYQNVAMQIJ-DJIMGWMZSA-N 1 3 371.547 0.447 20 0 FCADHO C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195393 843403774 /nfs/dbraw/zinc/40/37/74/843403774.db2.gz PWRIWYQNVAMQIJ-DJIMGWMZSA-N 1 3 371.547 0.447 20 0 FCADHO COCC[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276357504 861427847 /nfs/dbraw/zinc/42/78/47/861427847.db2.gz NCQLPSIGZYZQTN-LJQANCHMSA-N 1 3 352.523 0.727 20 0 FCADHO COCC[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276357504 861427850 /nfs/dbraw/zinc/42/78/50/861427850.db2.gz NCQLPSIGZYZQTN-LJQANCHMSA-N 1 3 352.523 0.727 20 0 FCADHO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102780768 844646580 /nfs/dbraw/zinc/64/65/80/844646580.db2.gz NFEUNWLRWHAATP-ZACQAIPSSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102780768 844646583 /nfs/dbraw/zinc/64/65/83/844646583.db2.gz NFEUNWLRWHAATP-ZACQAIPSSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103004970 844683153 /nfs/dbraw/zinc/68/31/53/844683153.db2.gz ILHIKMYEKXQVCV-QBPKDAKJSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103004970 844683159 /nfs/dbraw/zinc/68/31/59/844683159.db2.gz ILHIKMYEKXQVCV-QBPKDAKJSA-N 1 3 352.523 0.925 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103005013 844683538 /nfs/dbraw/zinc/68/35/38/844683538.db2.gz LCURXTAPEDWZNM-QBPKDAKJSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103005013 844683542 /nfs/dbraw/zinc/68/35/42/844683542.db2.gz LCURXTAPEDWZNM-QBPKDAKJSA-N 1 3 352.523 0.927 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368098 844744705 /nfs/dbraw/zinc/74/47/05/844744705.db2.gz ORFBHRDIIUVIOL-LTIDMASMSA-N 1 3 352.523 0.927 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368098 844744713 /nfs/dbraw/zinc/74/47/13/844744713.db2.gz ORFBHRDIIUVIOL-LTIDMASMSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378868 844745696 /nfs/dbraw/zinc/74/56/96/844745696.db2.gz OQVPNVGISZVJOD-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722473 844807013 /nfs/dbraw/zinc/80/70/13/844807013.db2.gz OQODCSLBUKNJAR-BRWVUGGUSA-N 1 3 371.547 0.591 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722473 844807015 /nfs/dbraw/zinc/80/70/15/844807015.db2.gz OQODCSLBUKNJAR-BRWVUGGUSA-N 1 3 371.547 0.591 20 0 FCADHO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721626 844807397 /nfs/dbraw/zinc/80/73/97/844807397.db2.gz ZYAMMBDCUOSGFE-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721626 844807401 /nfs/dbraw/zinc/80/74/01/844807401.db2.gz ZYAMMBDCUOSGFE-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755301 844816784 /nfs/dbraw/zinc/81/67/84/844816784.db2.gz AQCSOUOSUCFRSX-RBSFLKMASA-N 1 3 352.479 0.206 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755301 844816788 /nfs/dbraw/zinc/81/67/88/844816788.db2.gz AQCSOUOSUCFRSX-RBSFLKMASA-N 1 3 352.479 0.206 20 0 FCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103756863 844817006 /nfs/dbraw/zinc/81/70/06/844817006.db2.gz DQPISHMDLKNWPP-KURKYZTESA-N 1 3 355.523 0.944 20 0 FCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103756863 844817012 /nfs/dbraw/zinc/81/70/12/844817012.db2.gz DQPISHMDLKNWPP-KURKYZTESA-N 1 3 355.523 0.944 20 0 FCADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291070 844891097 /nfs/dbraw/zinc/89/10/97/844891097.db2.gz IILUILDONVTXTI-KYJSFNMBSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291728 844891431 /nfs/dbraw/zinc/89/14/31/844891431.db2.gz SKMUHEGEBKXYGK-KYJSFNMBSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001104641213 844928877 /nfs/dbraw/zinc/92/88/77/844928877.db2.gz FUGKYJJXWCIWKG-BRWVUGGUSA-N 1 3 350.511 0.939 20 0 FCADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679693 844932544 /nfs/dbraw/zinc/93/25/44/844932544.db2.gz MRPWUCIUWULFNT-GVDBMIGSSA-N 1 3 352.523 0.927 20 0 FCADHO COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105655354 845010515 /nfs/dbraw/zinc/01/05/15/845010515.db2.gz HRRQVAGGESPVMW-LMSBXDPUSA-N 1 3 350.463 0.565 20 0 FCADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105664157 845012916 /nfs/dbraw/zinc/01/29/16/845012916.db2.gz WXUPUXSECOBZDV-RWQQGDIJSA-N 1 3 355.523 0.941 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106244485 845142037 /nfs/dbraw/zinc/14/20/37/845142037.db2.gz MDPSWWJHUDUNRT-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106255552 845143997 /nfs/dbraw/zinc/14/39/97/845143997.db2.gz XLAXXOMHHGRNEA-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1ccc(S(C)(=O)=O)o1 ZINC001106626369 845208783 /nfs/dbraw/zinc/20/87/83/845208783.db2.gz DXTALKXCOVAZRE-ZIAGYGMSSA-N 1 3 371.503 0.819 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)N(C)C ZINC001106633548 845209868 /nfs/dbraw/zinc/20/98/68/845209868.db2.gz LVJQPWMOLXRVIB-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106665062 845219189 /nfs/dbraw/zinc/21/91/89/845219189.db2.gz GENALIOCMJKOJB-HLLBOEOZSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C3CC3)[C@H](C)C2)C1 ZINC001106666016 845219365 /nfs/dbraw/zinc/21/93/65/845219365.db2.gz DYVWNDGTDQBQIE-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666676 845219862 /nfs/dbraw/zinc/21/98/62/845219862.db2.gz QDFUOBRZJDXROX-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106672853 845221100 /nfs/dbraw/zinc/22/11/00/845221100.db2.gz MCYYFZCBKMPRQV-HUUCEWRRSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001106704940 845228771 /nfs/dbraw/zinc/22/87/71/845228771.db2.gz KBMRVMJMAGIXEM-BFYDXBDKSA-N 1 3 350.463 0.832 20 0 FCADHO CC(C)S(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705098 845228904 /nfs/dbraw/zinc/22/89/04/845228904.db2.gz QXYKUEKFTWPITA-HUUCEWRRSA-N 1 3 370.519 0.850 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1 ZINC001106779315 845250554 /nfs/dbraw/zinc/25/05/54/845250554.db2.gz INRYWXLMJDUEGU-RHSMWYFYSA-N 1 3 350.511 0.921 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001107036676 845316129 /nfs/dbraw/zinc/31/61/29/845316129.db2.gz PCRMUFANWZNQRT-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001107036865 845317153 /nfs/dbraw/zinc/31/71/53/845317153.db2.gz TZLIEFUUJZYRAX-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001107042465 845318453 /nfs/dbraw/zinc/31/84/53/845318453.db2.gz NMTLOAAADPFXDW-HLLBOEOZSA-N 1 3 352.523 0.925 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438757 845372917 /nfs/dbraw/zinc/37/29/17/845372917.db2.gz IFKKWETZRCJLDF-SZVBFZGTSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001109932909 845763278 /nfs/dbraw/zinc/76/32/78/845763278.db2.gz YOWZSYRXWUGRTC-IKGGRYGDSA-N 1 3 354.495 0.202 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001109932909 845763280 /nfs/dbraw/zinc/76/32/80/845763280.db2.gz YOWZSYRXWUGRTC-IKGGRYGDSA-N 1 3 354.495 0.202 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111766944 846196147 /nfs/dbraw/zinc/19/61/47/846196147.db2.gz JLAQVQWONFHJKF-JZXOWHBKSA-N 1 3 359.486 0.646 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111766944 846196153 /nfs/dbraw/zinc/19/61/53/846196153.db2.gz JLAQVQWONFHJKF-JZXOWHBKSA-N 1 3 359.486 0.646 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111910187 846257983 /nfs/dbraw/zinc/25/79/83/846257983.db2.gz SBCWWMZNYKCDEZ-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111910187 846257993 /nfs/dbraw/zinc/25/79/93/846257993.db2.gz SBCWWMZNYKCDEZ-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111927829 846263205 /nfs/dbraw/zinc/26/32/05/846263205.db2.gz PKYXESOWHIBZDJ-YJBOKZPZSA-N 1 3 351.495 0.324 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111927829 846263216 /nfs/dbraw/zinc/26/32/16/846263216.db2.gz PKYXESOWHIBZDJ-YJBOKZPZSA-N 1 3 351.495 0.324 20 0 FCADHO CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CN(C)C(C)C)C2)C1=O ZINC001112009885 846295249 /nfs/dbraw/zinc/29/52/49/846295249.db2.gz YOUXNXVLYHSMTB-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CN(C)C(C)C)C2)C1=O ZINC001112009885 846295255 /nfs/dbraw/zinc/29/52/55/846295255.db2.gz YOUXNXVLYHSMTB-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO COCCN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112184746 846444887 /nfs/dbraw/zinc/44/48/87/846444887.db2.gz DDTRUFOGZMBLOL-ZIAGYGMSSA-N 1 3 367.412 0.723 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112193344 846452836 /nfs/dbraw/zinc/45/28/36/846452836.db2.gz WCYOQTKKFXQKEC-MGPQQGTHSA-N 1 3 367.412 0.316 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112193344 846452841 /nfs/dbraw/zinc/45/28/41/846452841.db2.gz WCYOQTKKFXQKEC-MGPQQGTHSA-N 1 3 367.412 0.316 20 0 FCADHO C[NH+](C)CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112195292 846454216 /nfs/dbraw/zinc/45/42/16/846454216.db2.gz RZRLYAJFHCDSOX-ZIAGYGMSSA-N 1 3 369.428 0.706 20 0 FCADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112349978 846495857 /nfs/dbraw/zinc/49/58/57/846495857.db2.gz CNQZHMPJLZHCDT-BXWFABGCSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2)C(N)=O ZINC001112396824 846501289 /nfs/dbraw/zinc/50/12/89/846501289.db2.gz GMIHQLBAFDZQOE-MPGHIAIKSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401781 846502301 /nfs/dbraw/zinc/50/23/01/846502301.db2.gz XUHJFZLZBNJEAG-KXBFYZLASA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112529711 846515934 /nfs/dbraw/zinc/51/59/34/846515934.db2.gz LQVMFDHYUWPILG-RYRKJORJSA-N 1 3 371.547 0.734 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2CN(C)C(=O)O2)CC1 ZINC001117705603 847151796 /nfs/dbraw/zinc/15/17/96/847151796.db2.gz XVYAMMWICYMQIE-INIZCTEOSA-N 1 3 354.495 0.997 20 0 FCADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nnnn1C ZINC001120453378 848208117 /nfs/dbraw/zinc/20/81/17/848208117.db2.gz QAQNPXIYOGWAHZ-LBPRGKRZSA-N 1 3 350.471 0.129 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCCN2C)CC1=O ZINC001120810731 848287010 /nfs/dbraw/zinc/28/70/10/848287010.db2.gz VHTZKZCQISNBDR-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCCCN2C)CC1=O ZINC001120810731 848287030 /nfs/dbraw/zinc/28/70/30/848287030.db2.gz VHTZKZCQISNBDR-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CCSCCC[NH3+])CC1 ZINC001122127289 848451623 /nfs/dbraw/zinc/45/16/23/848451623.db2.gz AQFUKKVJLUHAOY-UHFFFAOYSA-N 1 3 356.536 0.791 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127701704 848732931 /nfs/dbraw/zinc/73/29/31/848732931.db2.gz WQIFTTYUIZBEMQ-YNEHKIRRSA-N 1 3 364.412 0.586 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127701704 848732935 /nfs/dbraw/zinc/73/29/35/848732935.db2.gz WQIFTTYUIZBEMQ-YNEHKIRRSA-N 1 3 364.412 0.586 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895628 848909762 /nfs/dbraw/zinc/90/97/62/848909762.db2.gz GDQFXTUHDOFIKW-IMJJTQAJSA-N 1 3 350.467 0.139 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129994192 848928020 /nfs/dbraw/zinc/92/80/20/848928020.db2.gz AHACRGDWYHDSRR-OWCLPIDISA-N 1 3 352.483 0.242 20 0 FCADHO CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001130293322 848997062 /nfs/dbraw/zinc/99/70/62/848997062.db2.gz UMFAEABAAKKOAA-BPQIPLTHSA-N 1 3 350.507 0.822 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001130695303 849027312 /nfs/dbraw/zinc/02/73/12/849027312.db2.gz MGIDGZOXAAOASN-HLLBOEOZSA-N 1 3 351.495 0.681 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130734278 849030919 /nfs/dbraw/zinc/03/09/19/849030919.db2.gz MRVUVRVWKSAAHC-DOTOQJQBSA-N 1 3 351.495 0.681 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1 ZINC001131091438 849078758 /nfs/dbraw/zinc/07/87/58/849078758.db2.gz HVWIPCKMZXZVBE-BZUAXINKSA-N 1 3 351.495 0.681 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131130346 849081978 /nfs/dbraw/zinc/08/19/78/849081978.db2.gz HQCJIAANLLLOKC-BZUAXINKSA-N 1 3 351.495 0.679 20 0 FCADHO CN(C)C1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCCO)CC2)CCC1 ZINC001131511989 849116270 /nfs/dbraw/zinc/11/62/70/849116270.db2.gz GXYDBJQXTSPJQO-SJORKVTESA-N 1 3 353.507 0.839 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1C1CCCC1 ZINC001154888755 849819318 /nfs/dbraw/zinc/81/93/18/849819318.db2.gz GMRPOCJXUNAOOO-CVEARBPZSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH+]1CCC(CN2CCN(c3ccc(S(N)(=O)=O)cn3)CC2)CC1 ZINC001157838036 849999611 /nfs/dbraw/zinc/99/96/11/849999611.db2.gz OTPDIPPVCMOYRD-UHFFFAOYSA-N 1 3 353.492 0.193 20 0 FCADHO O=C(c1csc([C@@H]2CCCN2)n1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120255 850020102 /nfs/dbraw/zinc/02/01/02/850020102.db2.gz MPKKZJYCZSTRCR-APPDUMDISA-N 1 3 361.471 0.119 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN(CC)CC)C2 ZINC001158384067 850043627 /nfs/dbraw/zinc/04/36/27/850043627.db2.gz QETXTEKCLQHRTM-GJZGRUSLSA-N 1 3 365.396 0.872 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158738681 850071364 /nfs/dbraw/zinc/07/13/64/850071364.db2.gz QOZORAZCUKMAGS-VGWMRTNUSA-N 1 3 366.487 0.238 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810616 850077360 /nfs/dbraw/zinc/07/73/60/850077360.db2.gz JBIGDLGEYVUIPV-CAOSSQGBSA-N 1 3 352.479 0.071 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160918 850098261 /nfs/dbraw/zinc/09/82/61/850098261.db2.gz VRHHZXZPRDWKIA-CDEUHXGRSA-N 1 3 359.536 0.621 20 0 FCADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CCO2 ZINC001160179993 850157680 /nfs/dbraw/zinc/15/76/80/850157680.db2.gz QKXRELBWMZTBQK-FUHWJXTLSA-N 1 3 354.495 0.286 20 0 FCADHO C[NH+](C)CCOCc1ncn2c1CN(C(=O)C(N)C(F)(F)F)CCC2 ZINC001160372163 850168868 /nfs/dbraw/zinc/16/88/68/850168868.db2.gz OUHQEKDDADMDTD-CYBMUJFWSA-N 1 3 363.384 0.583 20 0 FCADHO COCCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C1CC[NH+](C)CC1 ZINC001160439055 850172525 /nfs/dbraw/zinc/17/25/25/850172525.db2.gz GNSVQRBSWRTTNL-HOCLYGCPSA-N 1 3 356.511 0.434 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478254 850175053 /nfs/dbraw/zinc/17/50/53/850175053.db2.gz OBMDKYCWHLGQCN-VIFPVBQESA-N 1 3 366.413 0.662 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160506308 850177635 /nfs/dbraw/zinc/17/76/35/850177635.db2.gz LVUYPBGNKABFHE-JKSUJKDBSA-N 1 3 354.495 0.286 20 0 FCADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160746474 850196467 /nfs/dbraw/zinc/19/64/67/850196467.db2.gz JTIOJYSSARZIOO-LSDHHAIUSA-N 1 3 352.479 0.004 20 0 FCADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160746474 850196472 /nfs/dbraw/zinc/19/64/72/850196472.db2.gz JTIOJYSSARZIOO-LSDHHAIUSA-N 1 3 352.479 0.004 20 0 FCADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160786757 850198456 /nfs/dbraw/zinc/19/84/56/850198456.db2.gz HYFHIYXZRRRAEP-WFASDCNBSA-N 1 3 351.451 0.458 20 0 FCADHO Nc1ccc(Br)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001160846490 850202682 /nfs/dbraw/zinc/20/26/82/850202682.db2.gz IAOUSOGJTIZHSB-LBPRGKRZSA-N 1 3 365.275 0.725 20 0 FCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161230972 850241406 /nfs/dbraw/zinc/24/14/06/850241406.db2.gz AKNIFTYNAOTVKO-YTFOTSKYSA-N 1 3 358.552 0.807 20 0 FCADHO O=C(N1CCNC(=O)[C@H]1c1ccc(Cl)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161238261 850242606 /nfs/dbraw/zinc/24/26/06/850242606.db2.gz RYEMDBFRXKNVHS-DDUZABMNSA-N 1 3 362.861 0.539 20 0 FCADHO O=C(N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161238262 850242874 /nfs/dbraw/zinc/24/28/74/850242874.db2.gz RYEMDBFRXKNVHS-QIIPPGSGSA-N 1 3 362.861 0.539 20 0 FCADHO N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380367 850255946 /nfs/dbraw/zinc/25/59/46/850255946.db2.gz VEKREKGCZZTULU-SJORKVTESA-N 1 3 352.429 0.859 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1csc([C@@H]3CCCN3)n1)CC2 ZINC001161477328 850261849 /nfs/dbraw/zinc/26/18/49/850261849.db2.gz DYYFNKOGJXLNAT-BNLOLNQZSA-N 1 3 364.471 0.935 20 0 FCADHO CN[C@H](C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479636 850262690 /nfs/dbraw/zinc/26/26/90/850262690.db2.gz QFSROTBERLRTHM-COJSNBRMSA-N 1 3 355.479 0.532 20 0 FCADHO CCOC(=O)c1cnc([S@](C)=O)nc1NC(=[NH2+])NCCN(CC)CC ZINC001163129412 850357261 /nfs/dbraw/zinc/35/72/61/850357261.db2.gz WVLUHZVLUJDBHE-VWLOTQADSA-N 1 3 370.479 0.669 20 0 FCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N1CC[C@H]([NH3+])C1 ZINC001164279625 850401679 /nfs/dbraw/zinc/40/16/79/850401679.db2.gz SEOWJYSFSIZRRF-ZFWWWQNUSA-N 1 3 350.463 0.725 20 0 FCADHO C[C@@H](CN)C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181414 850608894 /nfs/dbraw/zinc/60/88/94/850608894.db2.gz PDZJZQKJSJHUCW-STQMWFEESA-N 1 3 350.467 0.177 20 0 FCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NCCOCCOCC[NH3+] ZINC001170507900 850656224 /nfs/dbraw/zinc/65/62/24/850656224.db2.gz LVTBLCKGEMVEAR-UHFFFAOYSA-N 1 3 353.467 0.929 20 0 FCADHO COCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190222051 851878602 /nfs/dbraw/zinc/87/86/02/851878602.db2.gz YIHLUEBTZWTHQF-KSZLIROESA-N 1 3 353.507 0.912 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447364 852429395 /nfs/dbraw/zinc/42/93/95/852429395.db2.gz PKIKIYLWVPTUIG-GVDBMIGSSA-N 1 3 359.486 0.644 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447364 852429398 /nfs/dbraw/zinc/42/93/98/852429398.db2.gz PKIKIYLWVPTUIG-GVDBMIGSSA-N 1 3 359.486 0.644 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194244698 852564237 /nfs/dbraw/zinc/56/42/37/852564237.db2.gz WNAIPDXGMIJNRN-IXDOHACOSA-N 1 3 355.523 0.819 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194244698 852564246 /nfs/dbraw/zinc/56/42/46/852564246.db2.gz WNAIPDXGMIJNRN-IXDOHACOSA-N 1 3 355.523 0.819 20 0 FCADHO CC(C)OCCCN1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001195640498 852804107 /nfs/dbraw/zinc/80/41/07/852804107.db2.gz DPLGSRXXCHUCIJ-HZPDHXFCSA-N 1 3 353.463 0.931 20 0 FCADHO CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001195640498 852804120 /nfs/dbraw/zinc/80/41/20/852804120.db2.gz DPLGSRXXCHUCIJ-HZPDHXFCSA-N 1 3 353.463 0.931 20 0 FCADHO CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001195640498 852804125 /nfs/dbraw/zinc/80/41/25/852804125.db2.gz DPLGSRXXCHUCIJ-HZPDHXFCSA-N 1 3 353.463 0.931 20 0 FCADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001197644705 853144386 /nfs/dbraw/zinc/14/43/86/853144386.db2.gz PPBCNRVHXWBBCR-QZTJIDSGSA-N 1 3 353.507 0.696 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCCC2(F)F)C[C@H]1O ZINC001197826220 853168629 /nfs/dbraw/zinc/16/86/29/853168629.db2.gz RDGHIMDXSQJNIL-RBSFLKMASA-N 1 3 363.449 0.551 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001197826413 853169047 /nfs/dbraw/zinc/16/90/47/853169047.db2.gz WFPDWQDHAKWESR-RRFJBIMHSA-N 1 3 363.449 0.551 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001198729489 853307327 /nfs/dbraw/zinc/30/73/27/853307327.db2.gz OQEJINYEGIIGTF-RCCFBDPRSA-N 1 3 353.507 0.983 20 0 FCADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001199023964 853356198 /nfs/dbraw/zinc/35/61/98/853356198.db2.gz WMFXMQDAVFMTLO-OPQOLIRYSA-N 1 3 353.507 0.839 20 0 FCADHO C[NH+]1CCC(CN2CCN(CC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001207449862 853815048 /nfs/dbraw/zinc/81/50/48/853815048.db2.gz AWMIRIXDZAXIJU-UHFFFAOYSA-N 1 3 372.579 0.617 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001208070159 853890628 /nfs/dbraw/zinc/89/06/28/853890628.db2.gz FJRYTLGVLWYLCE-HYVNUMGLSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001208070159 853890631 /nfs/dbraw/zinc/89/06/31/853890631.db2.gz FJRYTLGVLWYLCE-HYVNUMGLSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485834 853940644 /nfs/dbraw/zinc/94/06/44/853940644.db2.gz SYGWWCDLPUYNTH-KBAYOESNSA-N 1 3 355.523 0.798 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040389 854072432 /nfs/dbraw/zinc/07/24/32/854072432.db2.gz GEPCTUNHVQADNQ-HZSPNIEDSA-N 1 3 369.428 0.705 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1C ZINC001210040389 854072438 /nfs/dbraw/zinc/07/24/38/854072438.db2.gz GEPCTUNHVQADNQ-HZSPNIEDSA-N 1 3 369.428 0.705 20 0 FCADHO CO[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342060 854581800 /nfs/dbraw/zinc/58/18/00/854581800.db2.gz FGQPGTYABPXQRR-GVDBMIGSSA-N 1 3 353.507 0.960 20 0 FCADHO CO[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729961 854739623 /nfs/dbraw/zinc/73/96/23/854739623.db2.gz ABMGINJLSBOYNV-GVDBMIGSSA-N 1 3 357.495 0.197 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214847935 855022097 /nfs/dbraw/zinc/02/20/97/855022097.db2.gz ZIXWXEHFAJEUMO-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C)C1CC1 ZINC001214855898 855023665 /nfs/dbraw/zinc/02/36/65/855023665.db2.gz QWTMHUNQOPHKGL-QBIMZIAESA-N 1 3 350.507 0.774 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861310 855025016 /nfs/dbraw/zinc/02/50/16/855025016.db2.gz QCPGOBZOFJNPKW-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214856082 855025079 /nfs/dbraw/zinc/02/50/79/855025079.db2.gz XDTNVWLLPDTVOQ-QGPMSJSTSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215298984 855097640 /nfs/dbraw/zinc/09/76/40/855097640.db2.gz PXTOOIAXLOBCKM-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215567977 855128821 /nfs/dbraw/zinc/12/88/21/855128821.db2.gz JKHUKQGHOGZYPE-GDBMZVCRSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1)N(C)C ZINC001215571263 855129056 /nfs/dbraw/zinc/12/90/56/855129056.db2.gz HSTRVAXDZWHCTN-BMFZPTHFSA-N 1 3 350.463 0.673 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001215563490 855129092 /nfs/dbraw/zinc/12/90/92/855129092.db2.gz IQGDDQRWUZVGHS-MGPQQGTHSA-N 1 3 352.479 0.206 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)N(C)C ZINC001215571685 855129134 /nfs/dbraw/zinc/12/91/34/855129134.db2.gz SWCABMUTKHAWEB-KFWWJZLASA-N 1 3 362.540 0.045 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001216099235 855169640 /nfs/dbraw/zinc/16/96/40/855169640.db2.gz LGFMDZLNVBJTQI-IIAWOOMASA-N 1 3 354.495 0.010 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCCCOC)C1 ZINC001216213790 855179114 /nfs/dbraw/zinc/17/91/14/855179114.db2.gz RDAGNQIRRLEGOM-OWCLPIDISA-N 1 3 356.511 0.306 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCCCOC)C1 ZINC001216213790 855179119 /nfs/dbraw/zinc/17/91/19/855179119.db2.gz RDAGNQIRRLEGOM-OWCLPIDISA-N 1 3 356.511 0.306 20 0 FCADHO CCC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410128 855200136 /nfs/dbraw/zinc/20/01/36/855200136.db2.gz RKVHYCLOPLBCJA-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001216844879 855256768 /nfs/dbraw/zinc/25/67/68/855256768.db2.gz MRHJAEQLRACDFZ-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO CSc1nccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218512285 855432555 /nfs/dbraw/zinc/43/25/55/855432555.db2.gz SYIZLRCTZSFXSK-RYUDHWBXSA-N 1 3 366.491 0.584 20 0 FCADHO COC(=O)c1nc(Br)cnc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218523126 855434715 /nfs/dbraw/zinc/43/47/15/855434715.db2.gz CLUBWHNCJOXRLY-SECBINFHSA-N 1 3 372.223 0.291 20 0 FCADHO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218549857 855437533 /nfs/dbraw/zinc/43/75/33/855437533.db2.gz XJVMHWALCQJZFO-SNVBAGLBSA-N 1 3 370.475 0.940 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218630718 855453860 /nfs/dbraw/zinc/45/38/60/855453860.db2.gz FMXNTPJTAXTJLN-ONGXEEELSA-N 1 3 370.841 0.221 20 0 FCADHO CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218649922 855457235 /nfs/dbraw/zinc/45/72/35/855457235.db2.gz LMJVCIIZPLNUIC-SSDOTTSWSA-N 1 3 374.228 0.708 20 0 FCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710243 855468619 /nfs/dbraw/zinc/46/86/19/855468619.db2.gz DGXDRHHTPZSRCL-NEPJUHHUSA-N 1 3 368.459 0.452 20 0 FCADHO COC(=O)c1cc(Br)cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001218733965 855472412 /nfs/dbraw/zinc/47/24/12/855472412.db2.gz PDCIAHDXFVIFIS-GFCCVEGCSA-N 1 3 371.235 0.896 20 0 FCADHO NC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218842686 855485101 /nfs/dbraw/zinc/48/51/01/855485101.db2.gz BPUPUXFXLTZALN-JTQLQIEISA-N 1 3 353.220 0.296 20 0 FCADHO CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218893718 855493221 /nfs/dbraw/zinc/49/32/21/855493221.db2.gz FASXHGDPVJVDFD-GFCCVEGCSA-N 1 3 352.460 0.121 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288054 855617962 /nfs/dbraw/zinc/61/79/62/855617962.db2.gz HPNKVLHZOKRQHT-ZDUSSCGKSA-N 1 3 352.410 0.972 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580704 855721425 /nfs/dbraw/zinc/72/14/25/855721425.db2.gz QRUAXOMXGVUCBH-IHRRRGAJSA-N 1 3 374.279 0.416 20 0 FCADHO CCC(C)(CC)OC(=O)C[C@H](N)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765799 855804159 /nfs/dbraw/zinc/80/41/59/855804159.db2.gz CBXMEVZNNVLXMZ-ILXRZTDVSA-N 1 3 354.495 0.236 20 0 FCADHO CCC(C)(CC)OC(=O)C[C@H](N)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765799 855804161 /nfs/dbraw/zinc/80/41/61/855804161.db2.gz CBXMEVZNNVLXMZ-ILXRZTDVSA-N 1 3 354.495 0.236 20 0 FCADHO CCC(C)(CC)OC(=O)C[C@H](N)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765799 855804165 /nfs/dbraw/zinc/80/41/65/855804165.db2.gz CBXMEVZNNVLXMZ-ILXRZTDVSA-N 1 3 354.495 0.236 20 0 FCADHO CCC(C)(CC)OC(=O)C[C@H](N)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811051 855828471 /nfs/dbraw/zinc/82/84/71/855828471.db2.gz IZQJCYWXVRIJML-LBPRGKRZSA-N 1 3 352.435 0.776 20 0 FCADHO CN[C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834487 855837193 /nfs/dbraw/zinc/83/71/93/855837193.db2.gz QLQKWWGRAAQAGF-ZXFNITATSA-N 1 3 357.495 0.289 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001220034607 855928011 /nfs/dbraw/zinc/92/80/11/855928011.db2.gz WTARIEISJXOMLI-OWQJAQGESA-N 1 3 355.454 0.151 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001220034607 855928018 /nfs/dbraw/zinc/92/80/18/855928018.db2.gz WTARIEISJXOMLI-OWQJAQGESA-N 1 3 355.454 0.151 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045061 855931118 /nfs/dbraw/zinc/93/11/18/855931118.db2.gz KFAABUGDIJWWQN-WHOFXGATSA-N 1 3 367.519 0.678 20 0 FCADHO C[NH2+]CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C ZINC001220056437 855935749 /nfs/dbraw/zinc/93/57/49/855935749.db2.gz YSVJZODWYWFSJY-HOTGVXAUSA-N 1 3 350.463 0.129 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161284 855988172 /nfs/dbraw/zinc/98/81/72/855988172.db2.gz BGSRFHGIVJEBRY-AHXJXLJNSA-N 1 3 352.479 0.336 20 0 FCADHO COC1CCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001220223181 856020189 /nfs/dbraw/zinc/02/01/89/856020189.db2.gz SMWSRPMFWMJZOC-CKUJCDMFSA-N 1 3 354.495 0.508 20 0 FCADHO Cn1cc(Br)c(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001220334864 856071230 /nfs/dbraw/zinc/07/12/30/856071230.db2.gz DMWJKWUKEGHBTE-NSHDSACASA-N 1 3 356.268 0.673 20 0 FCADHO Cn1cc(Br)c(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001220334864 856071235 /nfs/dbraw/zinc/07/12/35/856071235.db2.gz DMWJKWUKEGHBTE-NSHDSACASA-N 1 3 356.268 0.673 20 0 FCADHO CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369919 856088614 /nfs/dbraw/zinc/08/86/14/856088614.db2.gz XUWFAELLRPCBEP-IXDOHACOSA-N 1 3 355.523 0.941 20 0 FCADHO CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369919 856088621 /nfs/dbraw/zinc/08/86/21/856088621.db2.gz XUWFAELLRPCBEP-IXDOHACOSA-N 1 3 355.523 0.941 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387756 856100876 /nfs/dbraw/zinc/10/08/76/856100876.db2.gz POTAHNCMRQBPIT-BBWFWOEESA-N 1 3 357.495 0.075 20 0 FCADHO COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220409570 856111459 /nfs/dbraw/zinc/11/14/59/856111459.db2.gz XLWZYMUJKOACDG-MFKMUULPSA-N 1 3 352.460 0.256 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220690025 856244710 /nfs/dbraw/zinc/24/47/10/856244710.db2.gz OPEJPXQLLACXKW-CVEARBPZSA-N 1 3 364.515 0.561 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220799829 856306691 /nfs/dbraw/zinc/30/66/91/856306691.db2.gz HKHDZLNHYLASCK-HUUCEWRRSA-N 1 3 365.861 0.739 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220935909 856385257 /nfs/dbraw/zinc/38/52/57/856385257.db2.gz ANJWJURMTSUBSR-JYJNAYRXSA-N 1 3 356.511 0.385 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001221081865 856454071 /nfs/dbraw/zinc/45/40/71/856454071.db2.gz XFZOGVFVAOLYGE-MSOLQXFVSA-N 1 3 353.507 0.840 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001221155262 856488090 /nfs/dbraw/zinc/48/80/90/856488090.db2.gz IRBDLFYPSOODCW-AWEZNQCLSA-N 1 3 351.476 0.242 20 0 FCADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221359048 856554864 /nfs/dbraw/zinc/55/48/64/856554864.db2.gz ZWVVZWUIHPAPLI-JKSUJKDBSA-N 1 3 352.523 0.724 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001221637371 856633443 /nfs/dbraw/zinc/63/34/43/856633443.db2.gz FPDGUYHMHMRZRA-PMPSAXMXSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001221637371 856633449 /nfs/dbraw/zinc/63/34/49/856633449.db2.gz FPDGUYHMHMRZRA-PMPSAXMXSA-N 1 3 351.495 0.275 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777185 856678259 /nfs/dbraw/zinc/67/82/59/856678259.db2.gz WBBOZOFKRGRGBX-IAGOWNOFSA-N 1 3 354.495 0.014 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910581 856731283 /nfs/dbraw/zinc/73/12/83/856731283.db2.gz KMOZWQRFMZSZEP-KZNAEPCWSA-N 1 3 353.507 0.647 20 0 FCADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001221950384 856745412 /nfs/dbraw/zinc/74/54/12/856745412.db2.gz FSNXRZNEYCVLDJ-BRWVUGGUSA-N 1 3 353.507 0.912 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(CCN3CCCC3=O)[C@H]2C1 ZINC001223846702 856946760 /nfs/dbraw/zinc/94/67/60/856946760.db2.gz RNCGVIJYRMBUGR-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(CCN3CCCC3=O)[C@H]2C1 ZINC001223846702 856946769 /nfs/dbraw/zinc/94/67/69/856946769.db2.gz RNCGVIJYRMBUGR-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001226799837 857126858 /nfs/dbraw/zinc/12/68/58/857126858.db2.gz DVBQZECAXTXVEO-NUJGCVRESA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)C1CC1 ZINC001226801167 857126925 /nfs/dbraw/zinc/12/69/25/857126925.db2.gz UFWZHNLDRZRCPY-OAGGEKHMSA-N 1 3 351.495 0.369 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001226831962 857127992 /nfs/dbraw/zinc/12/79/92/857127992.db2.gz WODOYCUNKLOXEG-DJIMGWMZSA-N 1 3 371.547 0.922 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001228603685 857218787 /nfs/dbraw/zinc/21/87/87/857218787.db2.gz RPIBDHRSEPWSRV-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC1 ZINC001228932500 857238996 /nfs/dbraw/zinc/23/89/96/857238996.db2.gz OSMSNSKTBYYGSZ-HZPDHXFCSA-N 1 3 359.536 0.780 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCOC ZINC001229230621 857260014 /nfs/dbraw/zinc/26/00/14/857260014.db2.gz JXMOUKLCIZQUEO-BRWVUGGUSA-N 1 3 359.511 0.369 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC(F)(F)F)C1 ZINC001230138158 857306750 /nfs/dbraw/zinc/30/67/50/857306750.db2.gz IFVMFRXHZPVGLP-YNEHKIRRSA-N 1 3 364.412 0.634 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC(F)(F)F)C1 ZINC001230138158 857306753 /nfs/dbraw/zinc/30/67/53/857306753.db2.gz IFVMFRXHZPVGLP-YNEHKIRRSA-N 1 3 364.412 0.634 20 0 FCADHO COc1ccc(CS(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238242714 857465009 /nfs/dbraw/zinc/46/50/09/857465009.db2.gz PYMBGXIVYIUWPE-OAHLLOKOSA-N 1 3 353.488 0.989 20 0 FCADHO COc1ccc(CS(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238242714 857465014 /nfs/dbraw/zinc/46/50/14/857465014.db2.gz PYMBGXIVYIUWPE-OAHLLOKOSA-N 1 3 353.488 0.989 20 0 FCADHO NCCS(=O)(=O)N(Cc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC001239150477 857522857 /nfs/dbraw/zinc/52/28/57/857522857.db2.gz QUIVOAKWSTVGLM-UHFFFAOYSA-N 1 3 351.394 0.946 20 0 FCADHO CCOC(=O)[C@]12C[N@H+](C[C@@H](O)COCc3ccco3)C[C@H]1CNCC2 ZINC001246048636 857565818 /nfs/dbraw/zinc/56/58/18/857565818.db2.gz ZBRKWVPWSFJVOF-IIDMSEBBSA-N 1 3 352.431 0.632 20 0 FCADHO CCOC(=O)[C@]12C[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]1CNCC2 ZINC001246048636 857565831 /nfs/dbraw/zinc/56/58/31/857565831.db2.gz ZBRKWVPWSFJVOF-IIDMSEBBSA-N 1 3 352.431 0.632 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697128 857590878 /nfs/dbraw/zinc/59/08/78/857590878.db2.gz UBZKASKKBIFBKO-ZACQAIPSSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697128 857590886 /nfs/dbraw/zinc/59/08/86/857590886.db2.gz UBZKASKKBIFBKO-ZACQAIPSSA-N 1 3 351.491 0.714 20 0 FCADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246711237 857593503 /nfs/dbraw/zinc/59/35/03/857593503.db2.gz SMLZPDRQWLLRDE-RZRMAFQFSA-N 1 3 350.507 0.430 20 0 FCADHO O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCCNC2)O1)N1CCCC1 ZINC001246729232 857593913 /nfs/dbraw/zinc/59/39/13/857593913.db2.gz JQIYKWLSKBKFJH-BRSBDYLESA-N 1 3 351.491 0.999 20 0 FCADHO O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCCNC2)O1)N1CCCC1 ZINC001246729232 857593923 /nfs/dbraw/zinc/59/39/23/857593923.db2.gz JQIYKWLSKBKFJH-BRSBDYLESA-N 1 3 351.491 0.999 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209382 857872676 /nfs/dbraw/zinc/87/26/76/857872676.db2.gz BDUOTYRDZOPLTI-UONOGXRCSA-N 1 3 361.483 0.735 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001253209052 857873141 /nfs/dbraw/zinc/87/31/41/857873141.db2.gz WHNNCFHCYHYAEL-HRCADAONSA-N 1 3 359.511 0.897 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@@H]3CCC[N@H+](C)CC3)CC2)C1=O ZINC001254518704 857976405 /nfs/dbraw/zinc/97/64/05/857976405.db2.gz DCLPNMYNWGWMDM-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254518704 857976406 /nfs/dbraw/zinc/97/64/06/857976406.db2.gz DCLPNMYNWGWMDM-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccccc2F)CC1=O ZINC001262574517 859004397 /nfs/dbraw/zinc/00/43/97/859004397.db2.gz UNWWVGQLZLCHKI-YOEHRIQHSA-N 1 3 353.438 0.628 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001271651981 859985661 /nfs/dbraw/zinc/98/56/61/859985661.db2.gz GJEBMUYYLWVZHC-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001271651981 859985666 /nfs/dbraw/zinc/98/56/66/859985666.db2.gz GJEBMUYYLWVZHC-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001272744424 860244666 /nfs/dbraw/zinc/24/46/66/860244666.db2.gz FEJJYQBMYOIGSR-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001272744424 860244675 /nfs/dbraw/zinc/24/46/75/860244675.db2.gz FEJJYQBMYOIGSR-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)N1CCCC1 ZINC001273504599 860511372 /nfs/dbraw/zinc/51/13/72/860511372.db2.gz YEUXGRSUSOBXCX-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)N1CCCC1 ZINC001273504599 860511379 /nfs/dbraw/zinc/51/13/79/860511379.db2.gz YEUXGRSUSOBXCX-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)N1CCN(CC(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)CC1 ZINC001273847653 860616611 /nfs/dbraw/zinc/61/66/11/860616611.db2.gz HVRPSCKVWIOBJL-ZWKOTPCHSA-N 1 3 351.539 0.107 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122852 860935516 /nfs/dbraw/zinc/93/55/16/860935516.db2.gz KHKKYWHIWJEVAX-IBGZPJMESA-N 1 3 350.507 0.337 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@@H+](CC4CC4)C3)OCC2=O)CC1 ZINC001275122852 860935534 /nfs/dbraw/zinc/93/55/34/860935534.db2.gz KHKKYWHIWJEVAX-IBGZPJMESA-N 1 3 350.507 0.337 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(C)CCN1C)C2 ZINC001275176832 860979214 /nfs/dbraw/zinc/97/92/14/860979214.db2.gz LPYYOHSMBPWHHY-HKUYNNGSSA-N 1 3 351.539 0.108 20 0 FCADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(C)CCN1C)C2 ZINC001275176832 860979225 /nfs/dbraw/zinc/97/92/25/860979225.db2.gz LPYYOHSMBPWHHY-HKUYNNGSSA-N 1 3 351.539 0.108 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286681 861011502 /nfs/dbraw/zinc/01/15/02/861011502.db2.gz BCVOFAZRTVWLJI-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286681 861011516 /nfs/dbraw/zinc/01/15/16/861011516.db2.gz BCVOFAZRTVWLJI-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO Cn1cnc(S(=O)(=O)N2CC[C@H]3CN(CCC[NH+](C)C)C[C@H]3CC2)c1 ZINC001280226265 863349890 /nfs/dbraw/zinc/34/98/90/863349890.db2.gz YKKXTWGPVDLAQM-IYBDPMFKSA-N 1 3 369.535 0.704 20 0 FCADHO CN(C)C(=O)CN1C[C@@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@H]2C1 ZINC001280277969 863374149 /nfs/dbraw/zinc/37/41/49/863374149.db2.gz JAHSKXBMHUTQEW-GJZGRUSLSA-N 1 3 354.470 0.337 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC)N(C)C ZINC001281849618 863821162 /nfs/dbraw/zinc/82/11/62/863821162.db2.gz DPZCMKYZVLJHBC-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1OC ZINC001281857356 863831030 /nfs/dbraw/zinc/83/10/30/863831030.db2.gz LFPMDAXDBLOMJC-HUUCEWRRSA-N 1 3 354.495 0.155 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1OC ZINC001281857356 863831045 /nfs/dbraw/zinc/83/10/45/863831045.db2.gz LFPMDAXDBLOMJC-HUUCEWRRSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001282078771 864048419 /nfs/dbraw/zinc/04/84/19/864048419.db2.gz RHYDRGFKNHGKNW-PNBKFKSVSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001282078771 864048438 /nfs/dbraw/zinc/04/84/38/864048438.db2.gz RHYDRGFKNHGKNW-PNBKFKSVSA-N 1 3 350.507 0.822 20 0 FCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458410 867427368 /nfs/dbraw/zinc/42/73/68/867427368.db2.gz REOMPSFHCSWAFJ-JKSUJKDBSA-N 1 3 354.495 0.291 20 0 FCADHO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC001357558894 868131848 /nfs/dbraw/zinc/13/18/48/868131848.db2.gz ARXHNPWIPVBEIK-JKSUJKDBSA-N 1 3 354.495 0.291 20 0 FCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001327086566 870660271 /nfs/dbraw/zinc/66/02/71/870660271.db2.gz DNICPJVHTBGATO-OAHLLOKOSA-N 1 3 350.507 0.907 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)COC(C)=O)CC2)CC1 ZINC001327633948 870985724 /nfs/dbraw/zinc/98/57/24/870985724.db2.gz CEOFHEIWODQSQX-INIZCTEOSA-N 1 3 355.479 0.223 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001348480052 872709359 /nfs/dbraw/zinc/70/93/59/872709359.db2.gz FJSOAQCQGOPGCA-GOSISDBHSA-N 1 3 352.523 0.485 20 0 FCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001331318006 873060129 /nfs/dbraw/zinc/06/01/29/873060129.db2.gz CPXBDCRCGHDISI-LBPRGKRZSA-N 1 3 356.417 0.709 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c(OCC[NH+](C)C)c1 ZINC000265727083 210208708 /nfs/dbraw/zinc/20/87/08/210208708.db2.gz ANHCEWJQOMDQIK-CQSZACIVSA-N 1 3 350.463 0.940 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000410731118 529861449 /nfs/dbraw/zinc/86/14/49/529861449.db2.gz ODVWOMPWLKLFFG-KURKYZTESA-N 1 3 362.518 0.872 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000410731118 529861450 /nfs/dbraw/zinc/86/14/50/529861450.db2.gz ODVWOMPWLKLFFG-KURKYZTESA-N 1 3 362.518 0.872 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951732 530064831 /nfs/dbraw/zinc/06/48/31/530064831.db2.gz GDHJMVCSPXIKRI-UWVAXJGDSA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951732 530064832 /nfs/dbraw/zinc/06/48/32/530064832.db2.gz GDHJMVCSPXIKRI-UWVAXJGDSA-N 1 3 362.518 0.873 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752920 674055575 /nfs/dbraw/zinc/05/55/75/674055575.db2.gz XPRFHLTWCRMHOG-MOPGFXCFSA-N 1 3 355.523 0.381 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC000930752920 674055581 /nfs/dbraw/zinc/05/55/81/674055581.db2.gz XPRFHLTWCRMHOG-MOPGFXCFSA-N 1 3 355.523 0.381 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1=CCN(C)CC1 ZINC000331536831 215012248 /nfs/dbraw/zinc/01/22/48/215012248.db2.gz DRBYDSYCHOJNHG-QAPCUYQASA-N 1 3 362.518 0.943 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331566864 215016183 /nfs/dbraw/zinc/01/61/83/215016183.db2.gz LAGHIUMBAFRHFW-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000331566864 215016185 /nfs/dbraw/zinc/01/61/85/215016185.db2.gz LAGHIUMBAFRHFW-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000331697265 215037055 /nfs/dbraw/zinc/03/70/55/215037055.db2.gz WXFZZZLGLCRJFS-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000331697265 215037057 /nfs/dbraw/zinc/03/70/57/215037057.db2.gz WXFZZZLGLCRJFS-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332462424 215156654 /nfs/dbraw/zinc/15/66/54/215156654.db2.gz JPDGJKKMVWGJBF-HRCADAONSA-N 1 3 351.495 0.452 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000332450654 215153355 /nfs/dbraw/zinc/15/33/55/215153355.db2.gz FIEKBNMDCKGGBU-JCYILVPMSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333126847 215239744 /nfs/dbraw/zinc/23/97/44/215239744.db2.gz VWOVZQZLTZAJQM-BBRMVZONSA-N 1 3 351.495 0.511 20 0 FCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406130 215276797 /nfs/dbraw/zinc/27/67/97/215276797.db2.gz ZICGCLIMXDCUBJ-CVEARBPZSA-N 1 3 359.478 0.977 20 0 FCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406130 215276801 /nfs/dbraw/zinc/27/68/01/215276801.db2.gz ZICGCLIMXDCUBJ-CVEARBPZSA-N 1 3 359.478 0.977 20 0 FCADHO CC[C@@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333499510 215289929 /nfs/dbraw/zinc/28/99/29/215289929.db2.gz FGWCXZMHCSFPBZ-DAWZGUTISA-N 1 3 367.538 0.301 20 0 FCADHO CCN1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333653361 215305251 /nfs/dbraw/zinc/30/52/51/215305251.db2.gz KEYFOSOIANRTHL-CYBMUJFWSA-N 1 3 351.417 0.560 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000285204390 213302432 /nfs/dbraw/zinc/30/24/32/213302432.db2.gz WSEJXIMYKMHBBF-SFHVURJKSA-N 1 3 358.486 0.978 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000285204390 213302435 /nfs/dbraw/zinc/30/24/35/213302435.db2.gz WSEJXIMYKMHBBF-SFHVURJKSA-N 1 3 358.486 0.978 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000285140899 213290730 /nfs/dbraw/zinc/29/07/30/213290730.db2.gz SQHRNNCAIRDPIN-GOSISDBHSA-N 1 3 372.513 0.878 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000285140899 213290733 /nfs/dbraw/zinc/29/07/33/213290733.db2.gz SQHRNNCAIRDPIN-GOSISDBHSA-N 1 3 372.513 0.878 20 0 FCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000367046317 216069243 /nfs/dbraw/zinc/06/92/43/216069243.db2.gz VTCNMVQBCCEPMA-SFHVURJKSA-N 1 3 350.507 0.480 20 0 FCADHO C[C@H](CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237543677 209353413 /nfs/dbraw/zinc/35/34/13/209353413.db2.gz CBVVEBGBIUCSMW-HUUCEWRRSA-N 1 3 364.494 0.525 20 0 FCADHO C[NH+](C)CCn1c2cc(NC(=O)CNC[C@H]3CCCO3)ccc2oc1=O ZINC000236990144 209346328 /nfs/dbraw/zinc/34/63/28/209346328.db2.gz WNHUUQPGRJXMGM-CQSZACIVSA-N 1 3 362.430 0.863 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038729 216338110 /nfs/dbraw/zinc/33/81/10/216338110.db2.gz OMFSYZRCXHLMSK-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038729 216338113 /nfs/dbraw/zinc/33/81/13/216338113.db2.gz OMFSYZRCXHLMSK-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC000187173960 209206794 /nfs/dbraw/zinc/20/67/94/209206794.db2.gz WBROUGVIWBGUAH-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000187173960 209206796 /nfs/dbraw/zinc/20/67/96/209206796.db2.gz WBROUGVIWBGUAH-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO COc1ccc(C[N@H+](CCO)C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414701240 245313926 /nfs/dbraw/zinc/31/39/26/245313926.db2.gz UMAWODSEAHEQFS-OAHLLOKOSA-N 1 3 365.474 0.695 20 0 FCADHO COc1ccc(C[N@@H+](CCO)C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414701240 245313929 /nfs/dbraw/zinc/31/39/29/245313929.db2.gz UMAWODSEAHEQFS-OAHLLOKOSA-N 1 3 365.474 0.695 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C[NH+]1CCCC1 ZINC000414732230 245318532 /nfs/dbraw/zinc/31/85/32/245318532.db2.gz IJHBIWYEOOPQGW-CQSZACIVSA-N 1 3 360.458 0.955 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000415292688 245379124 /nfs/dbraw/zinc/37/91/24/245379124.db2.gz KBCDRTGXYAMRQZ-MRXNPFEDSA-N 1 3 371.485 0.717 20 0 FCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCNC[C@H]3C)cc2)CC1 ZINC000415359933 245398326 /nfs/dbraw/zinc/39/83/26/245398326.db2.gz YXHXERLXZQOOKS-MRXNPFEDSA-N 1 3 373.501 0.583 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c(C)c2)CC1 ZINC000415458591 245417088 /nfs/dbraw/zinc/41/70/88/245417088.db2.gz WCIOTWBWIRKUEG-GOSISDBHSA-N 1 3 373.501 0.929 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417431711 245694218 /nfs/dbraw/zinc/69/42/18/245694218.db2.gz RNFYNGYOZHGHDG-OAHLLOKOSA-N 1 3 353.511 0.618 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000417435426 245694459 /nfs/dbraw/zinc/69/44/59/245694459.db2.gz YODFDOJKDHMHHU-PMPSAXMXSA-N 1 3 353.511 0.555 20 0 FCADHO CS(=O)(=O)C1(C(=O)NCCCCCN2CCCCC2)CC[NH2+]CC1 ZINC000375939378 217336318 /nfs/dbraw/zinc/33/63/18/217336318.db2.gz AVCYEKOOVAPWCI-UHFFFAOYSA-N 1 3 359.536 0.926 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000376081659 217354688 /nfs/dbraw/zinc/35/46/88/217354688.db2.gz MRWYEKFHOHJQES-MRXNPFEDSA-N 1 3 356.511 0.849 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000376081659 217354690 /nfs/dbraw/zinc/35/46/90/217354690.db2.gz MRWYEKFHOHJQES-MRXNPFEDSA-N 1 3 356.511 0.849 20 0 FCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419126193 246001812 /nfs/dbraw/zinc/00/18/12/246001812.db2.gz VSFSVKNJUFOJKR-ILXRZTDVSA-N 1 3 354.495 0.596 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419151133 246019786 /nfs/dbraw/zinc/01/97/86/246019786.db2.gz NDHGZJIOIHGATA-CJNGLKHVSA-N 1 3 364.515 0.930 20 0 FCADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CCCNCC1 ZINC000419158102 246023629 /nfs/dbraw/zinc/02/36/29/246023629.db2.gz XMKSLYMUFWGQSY-UHFFFAOYSA-N 1 3 364.515 0.898 20 0 FCADHO CC(C)([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419132725 246006591 /nfs/dbraw/zinc/00/65/91/246006591.db2.gz FDLIHJLAOZFOGT-UHFFFAOYSA-N 1 3 352.504 0.930 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419132321 246006616 /nfs/dbraw/zinc/00/66/16/246006616.db2.gz HHQXWRVKOULNRJ-IHRRRGAJSA-N 1 3 356.511 0.698 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000419146791 246015974 /nfs/dbraw/zinc/01/59/74/246015974.db2.gz IMVGSEWVCYFXTJ-INIZCTEOSA-N 1 3 364.515 0.930 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419149226 246017589 /nfs/dbraw/zinc/01/75/89/246017589.db2.gz KWAYUIVUGRNEBQ-IAGOWNOFSA-N 1 3 374.485 0.311 20 0 FCADHO O=C(NC1CCN(CCc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419188152 246041272 /nfs/dbraw/zinc/04/12/72/246041272.db2.gz JVLFKKPGNCBZDU-SFHVURJKSA-N 1 3 358.486 0.678 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1[NH3+] ZINC000419162978 246026318 /nfs/dbraw/zinc/02/63/18/246026318.db2.gz IIWOXAHCGXIPKU-BPQIPLTHSA-N 1 3 374.485 0.199 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419213629 246059731 /nfs/dbraw/zinc/05/97/31/246059731.db2.gz LUUVCWXTGROPIB-MRXNPFEDSA-N 1 3 362.474 0.454 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000419223502 246060839 /nfs/dbraw/zinc/06/08/39/246060839.db2.gz YMTPMBDADNRENK-SJORKVTESA-N 1 3 374.485 0.596 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000419220651 246062740 /nfs/dbraw/zinc/06/27/40/246062740.db2.gz VEJHMRZHVUXSIB-YOEHRIQHSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419224072 246063481 /nfs/dbraw/zinc/06/34/81/246063481.db2.gz FCMSWKJFXIIDPA-HYVNUMGLSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419224468 246064757 /nfs/dbraw/zinc/06/47/57/246064757.db2.gz FMXANBRUTBCMER-RHSMWYFYSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224542 246065214 /nfs/dbraw/zinc/06/52/14/246065214.db2.gz FUUCNQFCYOZXJY-APWZRJJASA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419202296 246049943 /nfs/dbraw/zinc/04/99/43/246049943.db2.gz GYZQWBYHTNOKJK-JKSUJKDBSA-N 1 3 362.474 0.629 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419202293 246050879 /nfs/dbraw/zinc/05/08/79/246050879.db2.gz GYZQWBYHTNOKJK-CVEARBPZSA-N 1 3 362.474 0.629 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419229045 246069325 /nfs/dbraw/zinc/06/93/25/246069325.db2.gz NKGITDKDSVNDPQ-XYJFISCASA-N 1 3 360.502 0.985 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329933 246101300 /nfs/dbraw/zinc/10/13/00/246101300.db2.gz HKHXSDZRZAOWRK-HZCDGDGTSA-N 1 3 374.460 0.678 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340331 246104777 /nfs/dbraw/zinc/10/47/77/246104777.db2.gz WMIZQHQLWDZTDH-IUHNQTRMSA-N 1 3 374.460 0.678 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000419369766 246120937 /nfs/dbraw/zinc/12/09/37/246120937.db2.gz GBFZOSBDPQKVPA-HNNXBMFYSA-N 1 3 372.513 0.788 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000419375103 246122168 /nfs/dbraw/zinc/12/21/68/246122168.db2.gz QBONCPGRTPBSCI-ZWKOTPCHSA-N 1 3 370.497 0.270 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)Cc2ccccc2C1 ZINC000419376666 246125146 /nfs/dbraw/zinc/12/51/46/246125146.db2.gz SLHNSCITGXKAHV-IBGZPJMESA-N 1 3 358.486 0.399 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](CN)C1 ZINC000419417009 246149721 /nfs/dbraw/zinc/14/97/21/246149721.db2.gz HOZKSMXENBIDCB-WCXIOVBPSA-N 1 3 368.522 0.435 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419412013 246144824 /nfs/dbraw/zinc/14/48/24/246144824.db2.gz CGNGUAIHAVFGFW-DOTOQJQBSA-N 1 3 358.486 0.747 20 0 FCADHO O=C(NCCC[NH2+]C1CC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419426287 246156632 /nfs/dbraw/zinc/15/66/32/246156632.db2.gz QRNIBOPKGDSRHB-UHFFFAOYSA-N 1 3 358.486 0.809 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419426739 246157505 /nfs/dbraw/zinc/15/75/05/246157505.db2.gz QWBWQQSKCQEMHH-RYQLBKOJSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475418 246177209 /nfs/dbraw/zinc/17/72/09/246177209.db2.gz DQQCXVQDZWPOED-OWCLPIDISA-N 1 3 368.522 0.844 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475418 246177213 /nfs/dbraw/zinc/17/72/13/246177213.db2.gz DQQCXVQDZWPOED-OWCLPIDISA-N 1 3 368.522 0.844 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586174 246211959 /nfs/dbraw/zinc/21/19/59/246211959.db2.gz NXELNYQTAWUWAP-CXAGYDPISA-N 1 3 356.536 0.434 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000419688987 246253144 /nfs/dbraw/zinc/25/31/44/246253144.db2.gz SHPLFTQHJAGONY-JKSUJKDBSA-N 1 3 366.506 0.191 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701233 246257878 /nfs/dbraw/zinc/25/78/78/246257878.db2.gz YWGKSSVMZJCMAH-YDHLFZDLSA-N 1 3 352.479 0.349 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NCC3([NH3+])CCC3)CCCC2)CC1 ZINC000419751861 246283904 /nfs/dbraw/zinc/28/39/04/246283904.db2.gz LEGHGVYVTHVGRZ-UHFFFAOYSA-N 1 3 366.506 0.524 20 0 FCADHO NCCN(Cc1ccccc1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419780160 246295123 /nfs/dbraw/zinc/29/51/23/246295123.db2.gz QDXRHAOPDWLVMU-UHFFFAOYSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804710 246300765 /nfs/dbraw/zinc/30/07/65/246300765.db2.gz OPKBLRXJNPKLHY-OAHLLOKOSA-N 1 3 354.495 0.333 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000419872744 246338727 /nfs/dbraw/zinc/33/87/27/246338727.db2.gz CULYUCRKNPLSRM-RYQLBKOJSA-N 1 3 374.485 0.419 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419839708 246313827 /nfs/dbraw/zinc/31/38/27/246313827.db2.gz HUOOYWWODJDVEI-OAHLLOKOSA-N 1 3 350.438 0.584 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419846673 246317957 /nfs/dbraw/zinc/31/79/57/246317957.db2.gz QGVAXTPHQAQNMV-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419856469 246327110 /nfs/dbraw/zinc/32/71/10/246327110.db2.gz FEEHUVZKQMXWPK-MRXNPFEDSA-N 1 3 368.428 0.709 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419862363 246333367 /nfs/dbraw/zinc/33/33/67/246333367.db2.gz BGRBCPGXFNGUQS-UHFFFAOYSA-N 1 3 356.417 0.581 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419880795 246348470 /nfs/dbraw/zinc/34/84/70/246348470.db2.gz APVNLBWKJUTZCR-HNNXBMFYSA-N 1 3 350.438 0.584 20 0 FCADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000419883638 246350793 /nfs/dbraw/zinc/35/07/93/246350793.db2.gz WJSABWKNFDMVBU-SJORKVTESA-N 1 3 362.474 0.277 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419889292 246353130 /nfs/dbraw/zinc/35/31/30/246353130.db2.gz GWNNCNFTKOHTKQ-KRWDZBQOSA-N 1 3 350.507 0.969 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901585 246360336 /nfs/dbraw/zinc/36/03/36/246360336.db2.gz UICYYQUCFPQCCY-QZTJIDSGSA-N 1 3 373.501 0.763 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901589 246360521 /nfs/dbraw/zinc/36/05/21/246360521.db2.gz UICYYQUCFPQCCY-ZWKOTPCHSA-N 1 3 373.501 0.763 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419960422 246388772 /nfs/dbraw/zinc/38/87/72/246388772.db2.gz RRIURYLHKFKWSG-ZMSDIMECSA-N 1 3 350.507 0.951 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419960422 246388778 /nfs/dbraw/zinc/38/87/78/246388778.db2.gz RRIURYLHKFKWSG-ZMSDIMECSA-N 1 3 350.507 0.951 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420453025 246564124 /nfs/dbraw/zinc/56/41/24/246564124.db2.gz UAYRMMPHONLKEX-LSDHHAIUSA-N 1 3 355.508 0.434 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423362399 247011389 /nfs/dbraw/zinc/01/13/89/247011389.db2.gz HPYCVITZZLAONI-ZIAGYGMSSA-N 1 3 352.504 0.834 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423364105 247014422 /nfs/dbraw/zinc/01/44/22/247014422.db2.gz JLSRYEIUYHBKQQ-QGZVFWFLSA-N 1 3 352.504 0.836 20 0 FCADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398547 247019872 /nfs/dbraw/zinc/01/98/72/247019872.db2.gz VOXFKDUERJSMNW-JHJVBQTASA-N 1 3 357.442 0.768 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423198255 246977346 /nfs/dbraw/zinc/97/73/46/246977346.db2.gz DXJBZZHOSJGJOD-HDICACEKSA-N 1 3 370.497 0.787 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[C@H]1[NH3+] ZINC000423608152 247072696 /nfs/dbraw/zinc/07/26/96/247072696.db2.gz KGBLJXXDGIWMLK-UKRRQHHQSA-N 1 3 352.504 0.834 20 0 FCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@H]1CNCCO1 ZINC000423747785 247137879 /nfs/dbraw/zinc/13/78/79/247137879.db2.gz PZLYEEDWIHZODM-HOTGVXAUSA-N 1 3 355.479 0.631 20 0 FCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@H]1CNCCO1 ZINC000423747785 247137885 /nfs/dbraw/zinc/13/78/85/247137885.db2.gz PZLYEEDWIHZODM-HOTGVXAUSA-N 1 3 355.479 0.631 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423756206 247139654 /nfs/dbraw/zinc/13/96/54/247139654.db2.gz GITFHBDIAXEWPB-MRXNPFEDSA-N 1 3 350.438 0.584 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)Cc1ccco1 ZINC000423700752 247116212 /nfs/dbraw/zinc/11/62/12/247116212.db2.gz UWZSPEZAMJLWEH-SFHVURJKSA-N 1 3 350.463 0.757 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423730588 247131441 /nfs/dbraw/zinc/13/14/41/247131441.db2.gz LIVCPDJZLDTXJQ-HOCLYGCPSA-N 1 3 350.463 0.756 20 0 FCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536864 247254768 /nfs/dbraw/zinc/25/47/68/247254768.db2.gz BRMXRDVJXFICFJ-FCGDIQPGSA-N 1 3 370.497 0.963 20 0 FCADHO C[C@H]1CN(CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424470121 247229479 /nfs/dbraw/zinc/22/94/79/247229479.db2.gz AVAYPMVIPXGEQM-BHYGNILZSA-N 1 3 364.494 0.357 20 0 FCADHO COCC(C)(C)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000425478022 247344729 /nfs/dbraw/zinc/34/47/29/247344729.db2.gz OPZNJILDSJLPHK-QGZVFWFLSA-N 1 3 369.554 0.622 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425675045 247361102 /nfs/dbraw/zinc/36/11/02/247361102.db2.gz DVGQHPWWAHZGKM-OKZBNKHCSA-N 1 3 351.539 0.996 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425675045 247361105 /nfs/dbraw/zinc/36/11/05/247361105.db2.gz DVGQHPWWAHZGKM-OKZBNKHCSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CCN(C)C(C)(C)C2)CCCO1 ZINC000442583124 248291713 /nfs/dbraw/zinc/29/17/13/248291713.db2.gz KLERGOKUVDRACQ-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CCN(C)C(C)(C)C2)CCCO1 ZINC000442583124 248291716 /nfs/dbraw/zinc/29/17/16/248291716.db2.gz KLERGOKUVDRACQ-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000444357148 248356281 /nfs/dbraw/zinc/35/62/81/248356281.db2.gz MYVSJHFZSMONQW-HNNXBMFYSA-N 1 3 364.490 0.939 20 0 FCADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000444357148 248356284 /nfs/dbraw/zinc/35/62/84/248356284.db2.gz MYVSJHFZSMONQW-HNNXBMFYSA-N 1 3 364.490 0.939 20 0 FCADHO COc1ccc2c(c1)C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CO2 ZINC000453109380 249342647 /nfs/dbraw/zinc/34/26/47/249342647.db2.gz ALHLRLDTCDCMNB-GOSISDBHSA-N 1 3 363.502 0.978 20 0 FCADHO CN(C[C@@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038557 249343169 /nfs/dbraw/zinc/34/31/69/249343169.db2.gz NUVHVMDSVRFUHD-KURKYZTESA-N 1 3 357.454 0.559 20 0 FCADHO CN(C[C@@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038557 249343173 /nfs/dbraw/zinc/34/31/73/249343173.db2.gz NUVHVMDSVRFUHD-KURKYZTESA-N 1 3 357.454 0.559 20 0 FCADHO CN(C)C(=O)COc1ccccc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470019450 250021062 /nfs/dbraw/zinc/02/10/62/250021062.db2.gz UAYBBMNUZVAXSA-MRXNPFEDSA-N 1 3 362.474 0.441 20 0 FCADHO C[NH+](C)CCOCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000471662258 250114118 /nfs/dbraw/zinc/11/41/18/250114118.db2.gz BLKWEJFMPOMMKV-IBGZPJMESA-N 1 3 364.490 0.501 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000480870920 250290841 /nfs/dbraw/zinc/29/08/41/250290841.db2.gz CCNOQLPIXWKATL-IYBDPMFKSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000480870920 250290847 /nfs/dbraw/zinc/29/08/47/250290847.db2.gz CCNOQLPIXWKATL-IYBDPMFKSA-N 1 3 370.538 0.554 20 0 FCADHO CN(C)[C@]1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCSC1 ZINC000481653282 250348210 /nfs/dbraw/zinc/34/82/10/250348210.db2.gz AQJKFQUKHPRMLH-PBHICJAKSA-N 1 3 371.551 0.310 20 0 FCADHO CN(C)[C@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCSC1 ZINC000481653282 250348214 /nfs/dbraw/zinc/34/82/14/250348214.db2.gz AQJKFQUKHPRMLH-PBHICJAKSA-N 1 3 371.551 0.310 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879240 250370053 /nfs/dbraw/zinc/37/00/53/250370053.db2.gz NDRSWWXIWMNJEH-HOTGVXAUSA-N 1 3 368.522 0.044 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000072985271 208045330 /nfs/dbraw/zinc/04/53/30/208045330.db2.gz KYQJPDIERNVIGH-HNNXBMFYSA-N 1 3 362.474 0.976 20 0 FCADHO COCCN(C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077569909 208074005 /nfs/dbraw/zinc/07/40/05/208074005.db2.gz NTBARGAOCPWCNF-INIZCTEOSA-N 1 3 356.511 0.755 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867653 208287051 /nfs/dbraw/zinc/28/70/51/208287051.db2.gz JEUHVLZQWGWKNV-MSOLQXFVSA-N 1 3 367.538 0.519 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867653 208287058 /nfs/dbraw/zinc/28/70/58/208287058.db2.gz JEUHVLZQWGWKNV-MSOLQXFVSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410436039 230079960 /nfs/dbraw/zinc/07/99/60/230079960.db2.gz RABCMKLQINGISP-MRXNPFEDSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466548 230090186 /nfs/dbraw/zinc/09/01/86/230090186.db2.gz IZIZCYICTGPOLK-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845323 674276576 /nfs/dbraw/zinc/27/65/76/674276576.db2.gz BRCZBDFJHRMOJI-MRXNPFEDSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845323 674276578 /nfs/dbraw/zinc/27/65/78/674276578.db2.gz BRCZBDFJHRMOJI-MRXNPFEDSA-N 1 3 352.523 0.929 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940342 488895776 /nfs/dbraw/zinc/89/57/76/488895776.db2.gz PNNORQYBMFQVTG-RBUKOAKNSA-N 1 3 370.497 0.789 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940342 488895777 /nfs/dbraw/zinc/89/57/77/488895777.db2.gz PNNORQYBMFQVTG-RBUKOAKNSA-N 1 3 370.497 0.789 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000327627815 488920309 /nfs/dbraw/zinc/92/03/09/488920309.db2.gz OHQSWDHTOQQOHR-AWEZNQCLSA-N 1 3 358.442 0.460 20 0 FCADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1(C)C ZINC000328242444 488922178 /nfs/dbraw/zinc/92/21/78/488922178.db2.gz AHXIKPSOIWKCOF-GPMSIDNRSA-N 1 3 354.539 0.907 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCNc3cnccn3)CC2)CC1 ZINC000051761687 488145108 /nfs/dbraw/zinc/14/51/08/488145108.db2.gz IKPPARNSBMEMEB-UHFFFAOYSA-N 1 3 361.494 0.746 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000562816087 491192115 /nfs/dbraw/zinc/19/21/15/491192115.db2.gz TXLHAYOBNPQLKE-JKSUJKDBSA-N 1 3 351.495 0.324 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000069858390 488374184 /nfs/dbraw/zinc/37/41/84/488374184.db2.gz OGFVCTAYQHEFRO-KRWDZBQOSA-N 1 3 352.523 0.631 20 0 FCADHO C[C@H]1CN(CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](C)C3)CC2)C[C@H]1C ZINC000072872152 488383233 /nfs/dbraw/zinc/38/32/33/488383233.db2.gz DRRWVBXBLFEDMT-USTZCAOPSA-N 1 3 364.534 0.833 20 0 FCADHO C[C@H]1CN(CC(=O)N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](C)C3)CC2)C[C@H]1C ZINC000072872152 488383234 /nfs/dbraw/zinc/38/32/34/488383234.db2.gz DRRWVBXBLFEDMT-USTZCAOPSA-N 1 3 364.534 0.833 20 0 FCADHO CCN1CCN(CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073639646 488385555 /nfs/dbraw/zinc/38/55/55/488385555.db2.gz ZCENAEFAQVHCAO-UHFFFAOYSA-N 1 3 352.523 0.775 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315933 488390401 /nfs/dbraw/zinc/39/04/01/488390401.db2.gz BROQIMZNGVPOQN-IAGOWNOFSA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315933 488390404 /nfs/dbraw/zinc/39/04/04/488390404.db2.gz BROQIMZNGVPOQN-IAGOWNOFSA-N 1 3 350.507 0.587 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000554336681 491196273 /nfs/dbraw/zinc/19/62/73/491196273.db2.gz IJWPVQUBDCQYTB-BZUAXINKSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000554336681 491196274 /nfs/dbraw/zinc/19/62/74/491196274.db2.gz IJWPVQUBDCQYTB-BZUAXINKSA-N 1 3 354.495 0.155 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000077208645 488409411 /nfs/dbraw/zinc/40/94/11/488409411.db2.gz GETGWUIGXZPVPO-JKSUJKDBSA-N 1 3 351.495 0.454 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000077208645 488409412 /nfs/dbraw/zinc/40/94/12/488409412.db2.gz GETGWUIGXZPVPO-JKSUJKDBSA-N 1 3 351.495 0.454 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000190696873 488418080 /nfs/dbraw/zinc/41/80/80/488418080.db2.gz MTEOLEUFRLZTKW-UHFFFAOYSA-N 1 3 364.494 0.718 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058893 488426756 /nfs/dbraw/zinc/42/67/56/488426756.db2.gz XNAOTWQRVRLRCP-NVXWUHKLSA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058893 488426758 /nfs/dbraw/zinc/42/67/58/488426758.db2.gz XNAOTWQRVRLRCP-NVXWUHKLSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000080061176 488433553 /nfs/dbraw/zinc/43/35/53/488433553.db2.gz RSYKIKHCUJOKGI-UHFFFAOYSA-N 1 3 359.474 0.850 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc2c(c1)CCC2 ZINC000081737727 488444051 /nfs/dbraw/zinc/44/40/51/488444051.db2.gz IGLRYBSHEFZKNF-UHFFFAOYSA-N 1 3 360.502 0.857 20 0 FCADHO COc1cc(CNC(=O)C[C@H]2CNCCO2)ccc1OCC[NH+](C)C ZINC000269260648 488483878 /nfs/dbraw/zinc/48/38/78/488483878.db2.gz VLOQXTGUTHXBSE-HNNXBMFYSA-N 1 3 351.447 0.630 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102050400 488497461 /nfs/dbraw/zinc/49/74/61/488497461.db2.gz MLRNLLGNARAXQT-KRWDZBQOSA-N 1 3 365.522 0.855 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000106583494 488514654 /nfs/dbraw/zinc/51/46/54/488514654.db2.gz DTPIGZXCPZHNLC-QGZVFWFLSA-N 1 3 368.570 0.290 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000106583494 488514656 /nfs/dbraw/zinc/51/46/56/488514656.db2.gz DTPIGZXCPZHNLC-QGZVFWFLSA-N 1 3 368.570 0.290 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000106583494 488514659 /nfs/dbraw/zinc/51/46/59/488514659.db2.gz DTPIGZXCPZHNLC-QGZVFWFLSA-N 1 3 368.570 0.290 20 0 FCADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)COC1CCOCC1 ZINC000563011636 491207567 /nfs/dbraw/zinc/20/75/67/491207567.db2.gz NFINADRONMZJMY-OALUTQOASA-N 1 3 364.486 0.899 20 0 FCADHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)COC1CCOCC1 ZINC000563011646 491207742 /nfs/dbraw/zinc/20/77/42/491207742.db2.gz NFINADRONMZJMY-RTBURBONSA-N 1 3 364.486 0.899 20 0 FCADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261730976 488533396 /nfs/dbraw/zinc/53/33/96/488533396.db2.gz JVXDJDJZHLHIKC-UXLLHSPISA-N 1 3 360.458 0.829 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000112466025 488534812 /nfs/dbraw/zinc/53/48/12/488534812.db2.gz SJORQUFFXDRZQW-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000112466025 488534813 /nfs/dbraw/zinc/53/48/13/488534813.db2.gz SJORQUFFXDRZQW-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO CC(C)N1CCC[C@H](N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261843562 488538155 /nfs/dbraw/zinc/53/81/55/488538155.db2.gz LSXATZGWJMAZKO-ZACQAIPSSA-N 1 3 350.507 0.966 20 0 FCADHO CC1CC[NH+](CCNC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000114587380 488541726 /nfs/dbraw/zinc/54/17/26/488541726.db2.gz ZOILJUVCIFFRPF-UHFFFAOYSA-N 1 3 369.554 0.408 20 0 FCADHO C[C@@H]1CCC[C@@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)(N(C)C)C1 ZINC000262029777 488546932 /nfs/dbraw/zinc/54/69/32/488546932.db2.gz BIYCJHKTTKVGLV-GDBMZVCRSA-N 1 3 359.536 0.780 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000262098755 488550180 /nfs/dbraw/zinc/55/01/80/488550180.db2.gz SPVNQQHPODHFOG-OAHLLOKOSA-N 1 3 368.503 0.224 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000121364142 488567326 /nfs/dbraw/zinc/56/73/26/488567326.db2.gz RAMNWQIBAANGAS-SFHVURJKSA-N 1 3 352.479 0.739 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000262575300 488578516 /nfs/dbraw/zinc/57/85/16/488578516.db2.gz IHTNYLZSMHWOSA-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000124161909 488590197 /nfs/dbraw/zinc/59/01/97/488590197.db2.gz LQZIZDINYKRYBN-GOSISDBHSA-N 1 3 352.479 0.739 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3-n3cnnn3)CC2)CC1 ZINC000124379988 488592524 /nfs/dbraw/zinc/59/25/24/488592524.db2.gz LLMIUFBOGQTBEQ-UHFFFAOYSA-N 1 3 369.473 0.951 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129830220 488634149 /nfs/dbraw/zinc/63/41/49/488634149.db2.gz SMZOBQHBHLWJAV-HZPDHXFCSA-N 1 3 353.511 0.522 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000130528527 488637870 /nfs/dbraw/zinc/63/78/70/488637870.db2.gz AWAZFKBFKIKVEM-RUZDIDTESA-N 1 3 368.503 0.314 20 0 FCADHO CC(C)Cn1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000130547698 488638268 /nfs/dbraw/zinc/63/82/68/488638268.db2.gz KPTMLFYZZGTQED-UHFFFAOYSA-N 1 3 352.483 0.429 20 0 FCADHO CCn1nc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000130603924 488638552 /nfs/dbraw/zinc/63/85/52/488638552.db2.gz JGINAFUOBCYESS-UHFFFAOYSA-N 1 3 352.483 0.410 20 0 FCADHO CCOc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130566071 488638809 /nfs/dbraw/zinc/63/88/09/488638809.db2.gz NJUOJSAHLKNKEF-UHFFFAOYSA-N 1 3 350.463 0.976 20 0 FCADHO COc1ccc(C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130593653 488638922 /nfs/dbraw/zinc/63/89/22/488638922.db2.gz WVSQIQHMBOLBHX-UHFFFAOYSA-N 1 3 350.463 0.894 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130660565 488639368 /nfs/dbraw/zinc/63/93/68/488639368.db2.gz SEZHQXQRYVKCBM-JKSUJKDBSA-N 1 3 365.522 0.807 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130660565 488639369 /nfs/dbraw/zinc/63/93/69/488639369.db2.gz SEZHQXQRYVKCBM-JKSUJKDBSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000131822306 488648712 /nfs/dbraw/zinc/64/87/12/488648712.db2.gz AYHHHAKSKBGKFM-UHFFFAOYSA-N 1 3 364.429 0.759 20 0 FCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000136835345 488679087 /nfs/dbraw/zinc/67/90/87/488679087.db2.gz PGJBLPJAFQMJMO-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CCO)CCNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000274694367 488727949 /nfs/dbraw/zinc/72/79/49/488727949.db2.gz VVFFRDIVHOEFDB-UHFFFAOYSA-N 1 3 366.506 0.783 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000159058257 488782604 /nfs/dbraw/zinc/78/26/04/488782604.db2.gz GOADNLAIYPQUDU-UHFFFAOYSA-N 1 3 365.453 0.921 20 0 FCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000168951064 488812771 /nfs/dbraw/zinc/81/27/71/488812771.db2.gz MXYCJHDAKRBYID-QGZVFWFLSA-N 1 3 373.505 0.703 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC2CCN(CCOC)CC2)CC1 ZINC000171202374 488821010 /nfs/dbraw/zinc/82/10/10/488821010.db2.gz YCOXRCGFFXZVOG-UHFFFAOYSA-N 1 3 356.511 0.897 20 0 FCADHO Cc1cc(NC(=O)CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)no1 ZINC000171657392 488825641 /nfs/dbraw/zinc/82/56/41/488825641.db2.gz MKWALIOREBSQPI-UHFFFAOYSA-N 1 3 351.451 0.701 20 0 FCADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000176196691 488857576 /nfs/dbraw/zinc/85/75/76/488857576.db2.gz OASIHYUZVGSXRL-UHFFFAOYSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)ccn2)C1 ZINC000329890064 489045471 /nfs/dbraw/zinc/04/54/71/489045471.db2.gz FNQLGTSIZUAGDB-HZPDHXFCSA-N 1 3 359.474 0.634 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)c2ccnc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)C1 ZINC000329890064 489045473 /nfs/dbraw/zinc/04/54/73/489045473.db2.gz FNQLGTSIZUAGDB-HZPDHXFCSA-N 1 3 359.474 0.634 20 0 FCADHO CN1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000570294901 491231257 /nfs/dbraw/zinc/23/12/57/491231257.db2.gz XHUKAWUNKXHERU-KCQAQPDRSA-N 1 3 350.488 0.725 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000365690114 489100778 /nfs/dbraw/zinc/10/07/78/489100778.db2.gz DBUICCSMHQIPCC-XNJGSVPQSA-N 1 3 350.467 0.305 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000289953420 489105204 /nfs/dbraw/zinc/10/52/04/489105204.db2.gz PGZIWTUMLPLQOL-MRXNPFEDSA-N 1 3 351.447 0.566 20 0 FCADHO COCCN(CCO)Cc1cc(C[N@H+](CCO)CCOC)cc(OC)c1 ZINC000292778783 489179112 /nfs/dbraw/zinc/17/91/12/489179112.db2.gz YWBZSNIGQGAHFT-UHFFFAOYSA-N 1 3 370.490 0.577 20 0 FCADHO COCCN(CCO)Cc1cc(C[N@@H+](CCO)CCOC)cc(OC)c1 ZINC000292778783 489179115 /nfs/dbraw/zinc/17/91/15/489179115.db2.gz YWBZSNIGQGAHFT-UHFFFAOYSA-N 1 3 370.490 0.577 20 0 FCADHO COCCN1CC[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000366788363 489199834 /nfs/dbraw/zinc/19/98/34/489199834.db2.gz OECNIBPKHPOTLC-CQSZACIVSA-N 1 3 350.467 0.992 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000331385842 489204951 /nfs/dbraw/zinc/20/49/51/489204951.db2.gz HWZXLFKKHBQWJE-HRCADAONSA-N 1 3 350.507 0.953 20 0 FCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)N(C)C1 ZINC000332801737 489233029 /nfs/dbraw/zinc/23/30/29/489233029.db2.gz YRKXNZVULCXDJU-XSLAGTTESA-N 1 3 368.522 0.725 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)CC2)CC1 ZINC000332865784 489240742 /nfs/dbraw/zinc/24/07/42/489240742.db2.gz KGKYMHACUCMZCX-BMGDILEWSA-N 1 3 350.507 0.957 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)CC2)CC1 ZINC000332865787 489241020 /nfs/dbraw/zinc/24/10/20/489241020.db2.gz KGKYMHACUCMZCX-JCGIZDLHSA-N 1 3 350.507 0.957 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000333896493 489263798 /nfs/dbraw/zinc/26/37/98/489263798.db2.gz ZCLOUEYZSFOARN-BRWVUGGUSA-N 1 3 365.522 0.700 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738426 489269499 /nfs/dbraw/zinc/26/94/99/489269499.db2.gz XVWYCBDPMJJMLO-KBAYOESNSA-N 1 3 366.506 0.744 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738426 489269500 /nfs/dbraw/zinc/26/95/00/489269500.db2.gz XVWYCBDPMJJMLO-KBAYOESNSA-N 1 3 366.506 0.744 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000369881667 489286754 /nfs/dbraw/zinc/28/67/54/489286754.db2.gz HTGHBFHKRKXHHO-CVEARBPZSA-N 1 3 366.506 0.014 20 0 FCADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1c(C)noc1C ZINC000570604869 491252691 /nfs/dbraw/zinc/25/26/91/491252691.db2.gz NZZOIGVDJRNDFS-OAHLLOKOSA-N 1 3 367.494 0.811 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C)o1 ZINC000286569249 489405641 /nfs/dbraw/zinc/40/56/41/489405641.db2.gz TVYIYCALJIUOMY-CQSZACIVSA-N 1 3 352.479 0.935 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697831 491258614 /nfs/dbraw/zinc/25/86/14/491258614.db2.gz BMOIJPFPMLDFSM-ZWKOTPCHSA-N 1 3 371.485 0.736 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000570667753 491256793 /nfs/dbraw/zinc/25/67/93/491256793.db2.gz IELHRRDHJPQNNS-HOCLYGCPSA-N 1 3 368.522 0.794 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000570667753 491256795 /nfs/dbraw/zinc/25/67/95/491256795.db2.gz IELHRRDHJPQNNS-HOCLYGCPSA-N 1 3 368.522 0.794 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423094898 489492552 /nfs/dbraw/zinc/49/25/52/489492552.db2.gz KWYJUQRKLQAYJM-AWEZNQCLSA-N 1 3 350.438 0.523 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423195532 489501284 /nfs/dbraw/zinc/50/12/84/489501284.db2.gz SVACHQHWKGWQKK-INIZCTEOSA-N 1 3 354.495 0.143 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423204501 489502541 /nfs/dbraw/zinc/50/25/41/489502541.db2.gz UKRURWDGXYNEPR-SFHVURJKSA-N 1 3 360.502 0.959 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000423218110 489503816 /nfs/dbraw/zinc/50/38/16/489503816.db2.gz UWOJZYJMKBWTTR-ZBFHGGJFSA-N 1 3 354.495 0.141 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000570712940 491259928 /nfs/dbraw/zinc/25/99/28/491259928.db2.gz BGHOBGCRNVXRBO-UHFFFAOYSA-N 1 3 368.522 0.594 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CC[NH2+]C)c(C)c2)CC1 ZINC000415547786 489528464 /nfs/dbraw/zinc/52/84/64/489528464.db2.gz PUQLQAVNVOFEQJ-UHFFFAOYSA-N 1 3 361.490 0.753 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC3([NH3+])CCC3)c2)CC1 ZINC000415560549 489530587 /nfs/dbraw/zinc/53/05/87/489530587.db2.gz MFNWYPSFTWQDHE-UHFFFAOYSA-N 1 3 359.474 0.765 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)c2)CC1 ZINC000415570403 489531052 /nfs/dbraw/zinc/53/10/52/489531052.db2.gz LYAKKEWKYGKEJG-HOTGVXAUSA-N 1 3 373.501 0.963 20 0 FCADHO COC[C@@]1(CNC(=O)C(=O)Nc2ccccc2CCN(C)C)CCC[NH2+]1 ZINC000415703413 489542920 /nfs/dbraw/zinc/54/29/20/489542920.db2.gz FWCYSMSSOBQGDK-IBGZPJMESA-N 1 3 362.474 0.614 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1CN(C)C ZINC000415703371 489542959 /nfs/dbraw/zinc/54/29/59/489542959.db2.gz DWLQHQSEOHQBKL-SFHVURJKSA-N 1 3 373.501 0.501 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1OCCN(C)C ZINC000415818854 489555080 /nfs/dbraw/zinc/55/50/80/489555080.db2.gz WGPQVBKQHYYTMJ-ZBFHGGJFSA-N 1 3 360.458 0.694 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000415870894 489562130 /nfs/dbraw/zinc/56/21/30/489562130.db2.gz PQEBMJQKJMIJRX-CABCVRRESA-N 1 3 360.458 0.633 20 0 FCADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CNCCO3)cc2)CC1 ZINC000415873033 489562271 /nfs/dbraw/zinc/56/22/71/489562271.db2.gz XRQXKNRANDGUHW-GOSISDBHSA-N 1 3 374.485 0.962 20 0 FCADHO [NH3+]CC[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(F)(F)F ZINC000415992795 489567433 /nfs/dbraw/zinc/56/74/33/489567433.db2.gz BUXVFHIDKQOBEP-GFCCVEGCSA-N 1 3 365.400 0.216 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660928 491263535 /nfs/dbraw/zinc/26/35/35/491263535.db2.gz NDXZCHZYOIHOJN-ZBFHGGJFSA-N 1 3 350.507 0.966 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426572308 489575844 /nfs/dbraw/zinc/57/58/44/489575844.db2.gz BCVFIFXNOZZMFO-SJORKVTESA-N 1 3 356.511 0.584 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000555674375 491265153 /nfs/dbraw/zinc/26/51/53/491265153.db2.gz BOYGUVRZPRYIQB-INIZCTEOSA-N 1 3 354.495 0.156 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1(C)C ZINC000555681306 491265543 /nfs/dbraw/zinc/26/55/43/491265543.db2.gz HIGZLNRGVBLFGX-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417340570 489648955 /nfs/dbraw/zinc/64/89/55/489648955.db2.gz AOAROVCKRLLULU-UHFFFAOYSA-N 1 3 363.506 0.722 20 0 FCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417363652 489649485 /nfs/dbraw/zinc/64/94/85/489649485.db2.gz GIRLMUTVEBCSSN-DLBZAZTESA-N 1 3 360.506 0.986 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417389952 489651179 /nfs/dbraw/zinc/65/11/79/489651179.db2.gz QBFGTTDQMMUGOT-HXUWFJFHSA-N 1 3 372.517 0.989 20 0 FCADHO C[C@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000417449765 489654880 /nfs/dbraw/zinc/65/48/80/489654880.db2.gz ANIAPBZDYMADRK-GJZGRUSLSA-N 1 3 361.490 0.870 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000457721310 489655194 /nfs/dbraw/zinc/65/51/94/489655194.db2.gz BGQWSJPFBULSGR-HDICACEKSA-N 1 3 369.554 0.501 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000417526583 489657169 /nfs/dbraw/zinc/65/71/69/489657169.db2.gz MSQYWIUHAYLHJV-QGZVFWFLSA-N 1 3 363.506 0.372 20 0 FCADHO C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C1CC1 ZINC000417550841 489658479 /nfs/dbraw/zinc/65/84/79/489658479.db2.gz MMTMRQTVZVDOJJ-YPMHNXCESA-N 1 3 351.417 0.604 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417745751 489664214 /nfs/dbraw/zinc/66/42/14/489664214.db2.gz FJJFGGVOYWFXAO-BPQIPLTHSA-N 1 3 351.539 0.947 20 0 FCADHO COC[C@@]1(CNC(=O)NC2CCN(CCOC(C)C)CC2)CCC[NH2+]1 ZINC000417815174 489667014 /nfs/dbraw/zinc/66/70/14/489667014.db2.gz SLCBVKFMVRTGGD-SFHVURJKSA-N 1 3 356.511 0.944 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426989 489682470 /nfs/dbraw/zinc/68/24/70/489682470.db2.gz NQXHOUWODYWLCF-HOTGVXAUSA-N 1 3 353.511 0.698 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426989 489682473 /nfs/dbraw/zinc/68/24/73/489682473.db2.gz NQXHOUWODYWLCF-HOTGVXAUSA-N 1 3 353.511 0.698 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418398348 489695661 /nfs/dbraw/zinc/69/56/61/489695661.db2.gz CRLPWJDHHAYKMT-HOTGVXAUSA-N 1 3 353.511 0.700 20 0 FCADHO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000418613888 489710565 /nfs/dbraw/zinc/71/05/65/489710565.db2.gz GBRUAJGNPULYAT-INIZCTEOSA-N 1 3 351.495 0.454 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000489542011 489716717 /nfs/dbraw/zinc/71/67/17/489716717.db2.gz AAOIXSUPZYBTFM-ROUUACIJSA-N 1 3 369.554 0.549 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000418826306 489741744 /nfs/dbraw/zinc/74/17/44/489741744.db2.gz CJZQPAYAKCBNJQ-ZWKOTPCHSA-N 1 3 358.486 0.929 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829954 489743069 /nfs/dbraw/zinc/74/30/69/489743069.db2.gz FHOJWAOTRTXBAH-YLJYHZDGSA-N 1 3 360.502 0.781 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)N1CCCCC1 ZINC000418836425 489747621 /nfs/dbraw/zinc/74/76/21/489747621.db2.gz PSCGJJBYXDBZJX-UHFFFAOYSA-N 1 3 368.522 0.724 20 0 FCADHO CC[NH2+]CC1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000430584272 489748499 /nfs/dbraw/zinc/74/84/99/489748499.db2.gz ORXIMYBCBYHQRK-SFHVURJKSA-N 1 3 354.539 0.781 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418847280 489754017 /nfs/dbraw/zinc/75/40/17/489754017.db2.gz HTFIEEOXPMWXAO-IRXDYDNUSA-N 1 3 362.474 0.372 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000418852886 489757790 /nfs/dbraw/zinc/75/77/90/489757790.db2.gz RPAVESAJZHCBJW-MAUKXSAKSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863666 489763709 /nfs/dbraw/zinc/76/37/09/489763709.db2.gz BSKTVWOOLJJVFL-CVEARBPZSA-N 1 3 368.522 0.498 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418866578 489765490 /nfs/dbraw/zinc/76/54/90/489765490.db2.gz OBBJMPAOLSADHS-HUUCEWRRSA-N 1 3 354.495 0.108 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418866578 489765495 /nfs/dbraw/zinc/76/54/95/489765495.db2.gz OBBJMPAOLSADHS-HUUCEWRRSA-N 1 3 354.495 0.108 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000418880257 489772390 /nfs/dbraw/zinc/77/23/90/489772390.db2.gz PCACPMVKMYCAHS-INIZCTEOSA-N 1 3 368.522 0.452 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929713 489778744 /nfs/dbraw/zinc/77/87/44/489778744.db2.gz YKPMHEFULKLCLT-HNNXBMFYSA-N 1 3 366.510 0.943 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929713 489778747 /nfs/dbraw/zinc/77/87/47/489778747.db2.gz YKPMHEFULKLCLT-HNNXBMFYSA-N 1 3 366.510 0.943 20 0 FCADHO COCCNCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000430999440 489784431 /nfs/dbraw/zinc/78/44/31/489784431.db2.gz KOKWUUUEVMXLAX-UHFFFAOYSA-N 1 3 364.490 0.512 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000555869623 491278440 /nfs/dbraw/zinc/27/84/40/491278440.db2.gz RFWDUIDDJSIYDQ-UHFFFAOYSA-N 1 3 350.507 0.966 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)Nc3ccnn3CC[NH+](C)C)C2)CC1 ZINC000555877667 491278874 /nfs/dbraw/zinc/27/88/74/491278874.db2.gz UTLRQGRSSQRCIX-MRXNPFEDSA-N 1 3 363.510 0.688 20 0 FCADHO CN(C)CCn1c2cc(NC(=O)c3cn(CCC[NH3+])nn3)ccc2oc1=O ZINC000563955019 491279180 /nfs/dbraw/zinc/27/91/80/491279180.db2.gz QVDZTEJVZWQAGU-UHFFFAOYSA-N 1 3 373.417 0.349 20 0 FCADHO CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000570999785 491279275 /nfs/dbraw/zinc/27/92/75/491279275.db2.gz YLFDSDPDBFKBSM-IAGOWNOFSA-N 1 3 370.538 0.648 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CN1C1CC1 ZINC000431280881 489798795 /nfs/dbraw/zinc/79/87/95/489798795.db2.gz CQMGUTGRJTYOIE-JKSUJKDBSA-N 1 3 365.522 0.903 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418950411 489801622 /nfs/dbraw/zinc/80/16/22/489801622.db2.gz HCYONHLFYSYPAM-BRWVUGGUSA-N 1 3 368.522 0.360 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418955403 489803534 /nfs/dbraw/zinc/80/35/34/489803534.db2.gz XXSKUCPKNAIPFZ-UAGQMJEPSA-N 1 3 368.522 0.578 20 0 FCADHO CC(C)N1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000459984103 489809145 /nfs/dbraw/zinc/80/91/45/489809145.db2.gz BGJYAHKOQZLAFH-UHFFFAOYSA-N 1 3 367.538 0.023 20 0 FCADHO CC(C)N1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000459984103 489809148 /nfs/dbraw/zinc/80/91/48/489809148.db2.gz BGJYAHKOQZLAFH-UHFFFAOYSA-N 1 3 367.538 0.023 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000459997767 489813295 /nfs/dbraw/zinc/81/32/95/489813295.db2.gz UDZYACVWAPLRAF-MSOLQXFVSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997767 489813298 /nfs/dbraw/zinc/81/32/98/489813298.db2.gz UDZYACVWAPLRAF-MSOLQXFVSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000459997768 489813421 /nfs/dbraw/zinc/81/34/21/489813421.db2.gz UDZYACVWAPLRAF-QZTJIDSGSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997768 489813426 /nfs/dbraw/zinc/81/34/26/489813426.db2.gz UDZYACVWAPLRAF-QZTJIDSGSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000419001299 489814401 /nfs/dbraw/zinc/81/44/01/489814401.db2.gz SKXXCKFYZYVWSG-UHFFFAOYSA-N 1 3 358.486 0.967 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419021349 489820309 /nfs/dbraw/zinc/82/03/09/489820309.db2.gz GXXSTLIRLUWJHH-QXSJWSMHSA-N 1 3 354.495 0.045 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419023946 489822842 /nfs/dbraw/zinc/82/28/42/489822842.db2.gz KMIDDWJGBBIBSF-ONTMVUMWSA-N 1 3 364.534 0.973 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419029141 489824169 /nfs/dbraw/zinc/82/41/69/489824169.db2.gz FPVDXEADVHLBET-AWEZNQCLSA-N 1 3 354.520 0.414 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000419029327 489824855 /nfs/dbraw/zinc/82/48/55/489824855.db2.gz RRKNDBOYAZXFSC-VQHPVUNQSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419033870 489826218 /nfs/dbraw/zinc/82/62/18/489826218.db2.gz LXBINQQBBLBNSL-CQSZACIVSA-N 1 3 356.536 0.565 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000563976883 491281471 /nfs/dbraw/zinc/28/14/71/491281471.db2.gz PXRHWNAMEVABTM-SVGFKBNWSA-N 1 3 359.474 0.631 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419040002 489830551 /nfs/dbraw/zinc/83/05/51/489830551.db2.gz WGMHAAHIIWDIKV-OAHLLOKOSA-N 1 3 370.563 0.969 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419044397 489831927 /nfs/dbraw/zinc/83/19/27/489831927.db2.gz PUDXAMMEHAQQEN-RDJZCZTQSA-N 1 3 368.522 0.578 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460080638 489845941 /nfs/dbraw/zinc/84/59/41/489845941.db2.gz VZTPRTAIDSGOFR-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460080637 489846081 /nfs/dbraw/zinc/84/60/81/489846081.db2.gz VZTPRTAIDSGOFR-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000460081769 489846879 /nfs/dbraw/zinc/84/68/79/489846879.db2.gz YOGXQYFZIFQOTN-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO CCN(CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000377092411 489851289 /nfs/dbraw/zinc/85/12/89/489851289.db2.gz GZDFJKQOXMFKJM-UHFFFAOYSA-N 1 3 362.478 0.689 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000460268444 489860229 /nfs/dbraw/zinc/86/02/29/489860229.db2.gz HQWFGOQDEIRPEX-LJQANCHMSA-N 1 3 364.490 0.535 20 0 FCADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419995804 489876566 /nfs/dbraw/zinc/87/65/66/489876566.db2.gz IRZFSHQSHQYTIK-RBSFLKMASA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419998511 489876923 /nfs/dbraw/zinc/87/69/23/489876923.db2.gz QRUKJSDOCHMNJU-LBPRGKRZSA-N 1 3 356.417 0.709 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420021826 489883123 /nfs/dbraw/zinc/88/31/23/489883123.db2.gz IRZFSHQSHQYTIK-RRFJBIMHSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420024736 489884134 /nfs/dbraw/zinc/88/41/34/489884134.db2.gz BKAUGFKKEYIYHT-KKUMJFAQSA-N 1 3 352.479 0.302 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420027648 489884913 /nfs/dbraw/zinc/88/49/13/489884913.db2.gz DAXKXFSEABFWPP-LSDHHAIUSA-N 1 3 356.511 0.796 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040945 489890880 /nfs/dbraw/zinc/89/08/80/489890880.db2.gz PLYYMMLGWMWBDL-UKRRQHHQSA-N 1 3 352.479 0.302 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420043690 489892021 /nfs/dbraw/zinc/89/20/21/489892021.db2.gz SENPOEYYOXIPJP-INIZCTEOSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420110104 489915899 /nfs/dbraw/zinc/91/58/99/489915899.db2.gz VSVNEAINKVACHH-GOSISDBHSA-N 1 3 350.463 0.676 20 0 FCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420109208 489915982 /nfs/dbraw/zinc/91/59/82/489915982.db2.gz ANDKGSWXDFCCKR-RBSFLKMASA-N 1 3 354.495 0.058 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420134703 489924677 /nfs/dbraw/zinc/92/46/77/489924677.db2.gz FRMYQSNAKWRUFH-UHFFFAOYSA-N 1 3 362.449 0.752 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134702 489924980 /nfs/dbraw/zinc/92/49/80/489924980.db2.gz UXXJJHCBTYJMDN-KGLIPLIRSA-N 1 3 352.504 0.895 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134700 489925085 /nfs/dbraw/zinc/92/50/85/489925085.db2.gz UXXJJHCBTYJMDN-KBPBESRZSA-N 1 3 352.504 0.895 20 0 FCADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420145323 489929088 /nfs/dbraw/zinc/92/90/88/489929088.db2.gz OPNNOHFHRVQWJT-HRCADAONSA-N 1 3 368.522 0.448 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571162828 491289227 /nfs/dbraw/zinc/28/92/27/491289227.db2.gz NXMOFYILYCFTTD-QGZVFWFLSA-N 1 3 361.490 0.887 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571162827 491289315 /nfs/dbraw/zinc/28/93/15/491289315.db2.gz NXMOFYILYCFTTD-KRWDZBQOSA-N 1 3 361.490 0.887 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171086 489938869 /nfs/dbraw/zinc/93/88/69/489938869.db2.gz SRQNCPXIIJNIPU-OWCLPIDISA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420213205 489954709 /nfs/dbraw/zinc/95/47/09/489954709.db2.gz YDDXDDSWSHYTMI-MRXNPFEDSA-N 1 3 358.486 0.965 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798580 489959545 /nfs/dbraw/zinc/95/95/45/489959545.db2.gz KEBYXIOAWOOVSD-CVEARBPZSA-N 1 3 362.522 0.795 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798580 489959547 /nfs/dbraw/zinc/95/95/47/489959547.db2.gz KEBYXIOAWOOVSD-CVEARBPZSA-N 1 3 362.522 0.795 20 0 FCADHO NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420326086 489963774 /nfs/dbraw/zinc/96/37/74/489963774.db2.gz XALGACZPQUXYGZ-HNNXBMFYSA-N 1 3 352.504 0.846 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000556066054 491291811 /nfs/dbraw/zinc/29/18/11/491291811.db2.gz UFYXBBPNVLWLLB-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000556066054 491291813 /nfs/dbraw/zinc/29/18/13/491291813.db2.gz UFYXBBPNVLWLLB-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420406302 489972157 /nfs/dbraw/zinc/97/21/57/489972157.db2.gz NMSUCMFCZCPYFY-OLZOCXBDSA-N 1 3 354.476 0.579 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420415560 489973433 /nfs/dbraw/zinc/97/34/33/489973433.db2.gz BCJDYTBNWDCNSU-DOMZBBRYSA-N 1 3 357.524 0.809 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000477626597 489978937 /nfs/dbraw/zinc/97/89/37/489978937.db2.gz LTPVDYPEJZEKCU-JKSUJKDBSA-N 1 3 354.495 0.202 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000477628076 489979347 /nfs/dbraw/zinc/97/93/47/489979347.db2.gz SAKVSPVFEAPPSP-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000477625917 489979545 /nfs/dbraw/zinc/97/95/45/489979545.db2.gz JTCLFOCDIWMLLJ-UHFFFAOYSA-N 1 3 368.522 0.452 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420473204 489982893 /nfs/dbraw/zinc/98/28/93/489982893.db2.gz DGZZEINAJMKIJN-IUODEOHRSA-N 1 3 357.524 0.667 20 0 FCADHO C[C@H](O)c1cn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1 ZINC000378146590 490017846 /nfs/dbraw/zinc/01/78/46/490017846.db2.gz GTDTYWMMUPPIEN-ZDUSSCGKSA-N 1 3 350.467 0.006 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)C1 ZINC000478794114 490037570 /nfs/dbraw/zinc/03/75/70/490037570.db2.gz HGYZPKYFMUDJLO-HZPDHXFCSA-N 1 3 355.527 0.109 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395845 490058958 /nfs/dbraw/zinc/05/89/58/490058958.db2.gz CDHAAGVIEPABTQ-DLBZAZTESA-N 1 3 362.518 0.921 20 0 FCADHO C[N@@H+]1CC[C@](O)(CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000545154306 490085605 /nfs/dbraw/zinc/08/56/05/490085605.db2.gz JNTCDUACUDGTCQ-FQEVSTJZSA-N 1 3 360.502 0.772 20 0 FCADHO C[N@H+]1CC[C@](O)(CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000545154306 490085611 /nfs/dbraw/zinc/08/56/11/490085611.db2.gz JNTCDUACUDGTCQ-FQEVSTJZSA-N 1 3 360.502 0.772 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000479995167 490147201 /nfs/dbraw/zinc/14/72/01/490147201.db2.gz VKGWVKPJROGALS-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958219 490158934 /nfs/dbraw/zinc/15/89/34/490158934.db2.gz SINHICIFWODWLI-HZPDHXFCSA-N 1 3 353.511 0.557 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958219 490158940 /nfs/dbraw/zinc/15/89/40/490158940.db2.gz SINHICIFWODWLI-HZPDHXFCSA-N 1 3 353.511 0.557 20 0 FCADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577752 490196955 /nfs/dbraw/zinc/19/69/55/490196955.db2.gz YXKQFOULKVCNRR-WMZOPIPTSA-N 1 3 367.538 0.158 20 0 FCADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577752 490196961 /nfs/dbraw/zinc/19/69/61/490196961.db2.gz YXKQFOULKVCNRR-WMZOPIPTSA-N 1 3 367.538 0.158 20 0 FCADHO C[C@@H](CNC(=O)NC1CCN(CCC(=O)N(C)C)CC1)C[NH+]1CCCC1 ZINC000520979656 490209592 /nfs/dbraw/zinc/20/95/92/490209592.db2.gz HCUXAOWRTPXKFL-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000571464511 491310223 /nfs/dbraw/zinc/31/02/23/491310223.db2.gz WBVZUBQDRIMSJU-OAHLLOKOSA-N 1 3 364.494 0.620 20 0 FCADHO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000521591430 490278409 /nfs/dbraw/zinc/27/84/09/490278409.db2.gz WMCFDJGNHLLYBW-BLNMRFBMSA-N 1 3 351.495 0.462 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1CC[NH2+]CC1 ZINC000521841092 490301485 /nfs/dbraw/zinc/30/14/85/490301485.db2.gz VVWXFXWHBLDXAZ-UHFFFAOYSA-N 1 3 360.506 0.893 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)[C@@H]3CCCO3)CC2)CC1 ZINC000447983763 490307031 /nfs/dbraw/zinc/30/70/31/490307031.db2.gz UCBXXOFLZLPPPL-IRXDYDNUSA-N 1 3 354.495 0.384 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000422488597 490354448 /nfs/dbraw/zinc/35/44/48/490354448.db2.gz KLJPAZMQVBZIRT-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000422488597 490354461 /nfs/dbraw/zinc/35/44/61/490354461.db2.gz KLJPAZMQVBZIRT-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](O)C[C@@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000468090417 490365037 /nfs/dbraw/zinc/36/50/37/490365037.db2.gz UTLIYHQVYRDVRJ-MAUKXSAKSA-N 1 3 368.522 0.726 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484276755 490406411 /nfs/dbraw/zinc/40/64/11/490406411.db2.gz ANRCETLZYAOWBB-IAGOWNOFSA-N 1 3 367.538 0.071 20 0 FCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422625606 490432754 /nfs/dbraw/zinc/43/27/54/490432754.db2.gz BXFIQYAPNBTENS-MCIONIFRSA-N 1 3 368.503 0.968 20 0 FCADHO CS[C@@H]1C[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1N1CCCC1 ZINC000484626384 490448880 /nfs/dbraw/zinc/44/88/80/490448880.db2.gz ITMYNYFYULIZIQ-QXDIGNSFSA-N 1 3 357.564 0.968 20 0 FCADHO CS[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1N1CCCC1 ZINC000484626384 490448888 /nfs/dbraw/zinc/44/88/88/490448888.db2.gz ITMYNYFYULIZIQ-QXDIGNSFSA-N 1 3 357.564 0.968 20 0 FCADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422837259 490483702 /nfs/dbraw/zinc/48/37/02/490483702.db2.gz LRUVRSHFTVDYRG-DOTOQJQBSA-N 1 3 354.539 0.970 20 0 FCADHO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000523701178 490487559 /nfs/dbraw/zinc/48/75/59/490487559.db2.gz WPGMYKLOEQPXBQ-KRWDZBQOSA-N 1 3 355.527 0.018 20 0 FCADHO C[N@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000523701178 490487565 /nfs/dbraw/zinc/48/75/65/490487565.db2.gz WPGMYKLOEQPXBQ-KRWDZBQOSA-N 1 3 355.527 0.018 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CCC(C)(C)C)CC2)CC1=O ZINC000510394960 490514087 /nfs/dbraw/zinc/51/40/87/490514087.db2.gz HXGGSDGJSHEKNS-MRXNPFEDSA-N 1 3 352.523 0.977 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423061835 490532953 /nfs/dbraw/zinc/53/29/53/490532953.db2.gz LUQPJMMFZRKZET-QGZVFWFLSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558354 490542615 /nfs/dbraw/zinc/54/26/15/490542615.db2.gz BVMHNBRECQCMKW-CRAIPNDOSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558354 490542620 /nfs/dbraw/zinc/54/26/20/490542620.db2.gz BVMHNBRECQCMKW-CRAIPNDOSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485805223 490560349 /nfs/dbraw/zinc/56/03/49/490560349.db2.gz LBWMBHMRYFOBGF-OWCLPIDISA-N 1 3 364.494 0.822 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000536218488 490562001 /nfs/dbraw/zinc/56/20/01/490562001.db2.gz BIJJQBZPAIJFKW-LJQANCHMSA-N 1 3 366.550 0.900 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000536218488 490562004 /nfs/dbraw/zinc/56/20/04/490562004.db2.gz BIJJQBZPAIJFKW-LJQANCHMSA-N 1 3 366.550 0.900 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214930 490571374 /nfs/dbraw/zinc/57/13/74/490571374.db2.gz GLRNUUWVVNMQBV-DOTOQJQBSA-N 1 3 365.522 0.879 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214930 490571380 /nfs/dbraw/zinc/57/13/80/490571380.db2.gz GLRNUUWVVNMQBV-DOTOQJQBSA-N 1 3 365.522 0.879 20 0 FCADHO COCCN(C)CCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512992 490610679 /nfs/dbraw/zinc/61/06/79/490610679.db2.gz UGPDNCUKXCDXFY-IBGZPJMESA-N 1 3 364.490 0.501 20 0 FCADHO COCCN(C)CCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512992 490610683 /nfs/dbraw/zinc/61/06/83/490610683.db2.gz UGPDNCUKXCDXFY-IBGZPJMESA-N 1 3 364.490 0.501 20 0 FCADHO COCCN(C)CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512993 490610809 /nfs/dbraw/zinc/61/08/09/490610809.db2.gz UGPDNCUKXCDXFY-LJQANCHMSA-N 1 3 364.490 0.501 20 0 FCADHO COCCN(C)CCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512993 490610813 /nfs/dbraw/zinc/61/08/13/490610813.db2.gz UGPDNCUKXCDXFY-LJQANCHMSA-N 1 3 364.490 0.501 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cccs1 ZINC000536946252 490625717 /nfs/dbraw/zinc/62/57/17/490625717.db2.gz UWJLZMDYRKJBPG-UHFFFAOYSA-N 1 3 355.508 0.613 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640401 490629059 /nfs/dbraw/zinc/62/90/59/490629059.db2.gz OZRAZTRSCANDNO-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640401 490629062 /nfs/dbraw/zinc/62/90/62/490629062.db2.gz OZRAZTRSCANDNO-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC(C)CC1 ZINC000550337673 490662000 /nfs/dbraw/zinc/66/20/00/490662000.db2.gz LVFCBROKQXAKHO-OAHLLOKOSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+](C)[C@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512819731 490700694 /nfs/dbraw/zinc/70/06/94/490700694.db2.gz GXVORJYVHQETCO-KRWDZBQOSA-N 1 3 355.527 0.112 20 0 FCADHO COc1ccc(OC)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527124148 490701235 /nfs/dbraw/zinc/70/12/35/490701235.db2.gz HCNVKVRRMCTNKI-UHFFFAOYSA-N 1 3 366.462 0.594 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000557036108 491350127 /nfs/dbraw/zinc/35/01/27/491350127.db2.gz WINIZNYNZCWJMQ-GJZGRUSLSA-N 1 3 360.458 0.763 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000513927882 490754338 /nfs/dbraw/zinc/75/43/38/490754338.db2.gz NCNIIWKHLHGNNE-MRXNPFEDSA-N 1 3 353.511 0.714 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000488618716 490767714 /nfs/dbraw/zinc/76/77/14/490767714.db2.gz GQXDFTZXZSJZDF-APWZRJJASA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000488618716 490767716 /nfs/dbraw/zinc/76/77/16/490767716.db2.gz GQXDFTZXZSJZDF-APWZRJJASA-N 1 3 365.522 0.666 20 0 FCADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CN2CCN1CCC2 ZINC000488641696 490769274 /nfs/dbraw/zinc/76/92/74/490769274.db2.gz FFCKPGXDYWXHDI-KRWDZBQOSA-N 1 3 350.507 0.528 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000514598984 490773279 /nfs/dbraw/zinc/77/32/79/490773279.db2.gz AMOLZQQNWNUXKR-MRXNPFEDSA-N 1 3 372.473 0.901 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CCN(C)CC2)CC1 ZINC000539475907 490784436 /nfs/dbraw/zinc/78/44/36/490784436.db2.gz SPJAKSAQVAZCPH-UHFFFAOYSA-N 1 3 351.495 0.490 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049731 490804971 /nfs/dbraw/zinc/80/49/71/490804971.db2.gz PMRYZPONRZJHCD-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(=O)NC3CC3)CC2)CC1 ZINC000565174252 491357391 /nfs/dbraw/zinc/35/73/91/491357391.db2.gz RPDSWLLUDZDEGG-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2CN)[C@@H](C)C1 ZINC000557193853 491358841 /nfs/dbraw/zinc/35/88/41/491358841.db2.gz SAIOFCULGLVUHV-BBWFWOEESA-N 1 3 355.527 0.408 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2CN)[C@@H](C)C1 ZINC000557193853 491358842 /nfs/dbraw/zinc/35/88/42/491358842.db2.gz SAIOFCULGLVUHV-BBWFWOEESA-N 1 3 355.527 0.408 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872192 490842495 /nfs/dbraw/zinc/84/24/95/490842495.db2.gz VCJUAXOPWCUSIX-SPUZQDLCSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872192 490842498 /nfs/dbraw/zinc/84/24/98/490842498.db2.gz VCJUAXOPWCUSIX-SPUZQDLCSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000517918509 490924605 /nfs/dbraw/zinc/92/46/05/490924605.db2.gz VBJDCIXAHGSBFE-DOTOQJQBSA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000530880331 490929611 /nfs/dbraw/zinc/92/96/11/490929611.db2.gz MPDKJYDSQDWHMI-UHFFFAOYSA-N 1 3 352.454 0.436 20 0 FCADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000557295449 491365945 /nfs/dbraw/zinc/36/59/45/491365945.db2.gz GUXMMGPNOSPQAI-GJZGRUSLSA-N 1 3 358.486 0.869 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000519227969 490966164 /nfs/dbraw/zinc/96/61/64/490966164.db2.gz WEZYRBRSGSWBRX-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](CO)C3)CC2)CC1 ZINC000519612345 490979455 /nfs/dbraw/zinc/97/94/55/490979455.db2.gz LUNABBZHCXAPRH-CRAIPNDOSA-N 1 3 353.507 0.791 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)COC2CC[NH2+]CC2)c1 ZINC000519639311 490981045 /nfs/dbraw/zinc/98/10/45/490981045.db2.gz FWCNETYWGRJNAL-UHFFFAOYSA-N 1 3 362.474 0.363 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000562773681 491188482 /nfs/dbraw/zinc/18/84/82/491188482.db2.gz PKXIFTSOKSIWFR-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432516 491376216 /nfs/dbraw/zinc/37/62/16/491376216.db2.gz VEVRSUYTOXLICR-KSZLIROESA-N 1 3 371.485 0.777 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561015 491383300 /nfs/dbraw/zinc/38/33/00/491383300.db2.gz DNQPPJJBSLNGMW-HOCLYGCPSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561015 491383301 /nfs/dbraw/zinc/38/33/01/491383301.db2.gz DNQPPJJBSLNGMW-HOCLYGCPSA-N 1 3 354.495 0.155 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000565549297 491383970 /nfs/dbraw/zinc/38/39/70/491383970.db2.gz LDCARFGCBXZOPF-BBWFWOEESA-N 1 3 359.474 0.113 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572945452 491403262 /nfs/dbraw/zinc/40/32/62/491403262.db2.gz PHTNVXAZIYAFPS-UHFFFAOYSA-N 1 3 364.465 0.832 20 0 FCADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000557952630 491406167 /nfs/dbraw/zinc/40/61/67/491406167.db2.gz CXMVVQKAXUFNFE-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@@H](C)C1 ZINC000565904056 491406980 /nfs/dbraw/zinc/40/69/80/491406980.db2.gz BEUKKQZCJGJVAU-RDJZCZTQSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@@H](C)C1 ZINC000565904056 491406981 /nfs/dbraw/zinc/40/69/81/491406981.db2.gz BEUKKQZCJGJVAU-RDJZCZTQSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000566193853 491424350 /nfs/dbraw/zinc/42/43/50/491424350.db2.gz NLGGEXZQTUNQAT-OAHLLOKOSA-N 1 3 350.467 0.385 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348239 491438293 /nfs/dbraw/zinc/43/82/93/491438293.db2.gz QZPBJIYWTLKQFN-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496679 491448945 /nfs/dbraw/zinc/44/89/45/491448945.db2.gz SZUAQUZXLWUVCI-MSOLQXFVSA-N 1 3 356.470 0.669 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000573793497 491455078 /nfs/dbraw/zinc/45/50/78/491455078.db2.gz XOBCZYLLGFORBR-HNNXBMFYSA-N 1 3 364.465 0.913 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000573839699 491458259 /nfs/dbraw/zinc/45/82/59/491458259.db2.gz FHNKGZGZIYTUIB-CQSZACIVSA-N 1 3 354.520 0.332 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000573855987 491459539 /nfs/dbraw/zinc/45/95/39/491459539.db2.gz GMSNSWTXIAJNGD-UHFFFAOYSA-N 1 3 354.495 0.143 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000566739714 491464072 /nfs/dbraw/zinc/46/40/72/491464072.db2.gz IJSZTSWTFIAVRI-ARFHVFGLSA-N 1 3 351.495 0.319 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559327744 491464516 /nfs/dbraw/zinc/46/45/16/491464516.db2.gz DUTCXGIUFHWVAR-UHFFFAOYSA-N 1 3 356.511 0.496 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150767 491477320 /nfs/dbraw/zinc/47/73/20/491477320.db2.gz GAPROAOESGNZDY-RBUKOAKNSA-N 1 3 371.485 0.731 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H](O)Cn3cccn3)c2)C1 ZINC000574150767 491477323 /nfs/dbraw/zinc/47/73/23/491477323.db2.gz GAPROAOESGNZDY-RBUKOAKNSA-N 1 3 371.485 0.731 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)N3CCCC3)CC2)CC1 ZINC000567177109 491490431 /nfs/dbraw/zinc/49/04/31/491490431.db2.gz ZUIKGTHULWWJPW-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000574382163 491492581 /nfs/dbraw/zinc/49/25/81/491492581.db2.gz QALVLIGTHKDYEA-UHFFFAOYSA-N 1 3 361.490 0.935 20 0 FCADHO CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000559744774 491494926 /nfs/dbraw/zinc/49/49/26/491494926.db2.gz CNRUTNLCDYFDIM-KRWDZBQOSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000574815449 491521944 /nfs/dbraw/zinc/52/19/44/491521944.db2.gz XCXZLTOQRKXDAD-OALUTQOASA-N 1 3 362.518 0.403 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575057826 491536603 /nfs/dbraw/zinc/53/66/03/491536603.db2.gz QVLUWWVMIAWTOD-KRWDZBQOSA-N 1 3 364.465 0.974 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1=O ZINC000560596921 491546591 /nfs/dbraw/zinc/54/65/91/491546591.db2.gz YWTGALVHYWTKMG-LUKYLMHMSA-N 1 3 368.522 0.543 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cc(F)cc(F)c1 ZINC000560890795 491562430 /nfs/dbraw/zinc/56/24/30/491562430.db2.gz JTTLEXVELWOCOF-UHFFFAOYSA-N 1 3 370.444 0.575 20 0 FCADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000568287734 491566961 /nfs/dbraw/zinc/56/69/61/491566961.db2.gz IABVNEVCSSTKSI-BRWVUGGUSA-N 1 3 359.474 0.763 20 0 FCADHO COCCN(C)CC[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000568292600 491567416 /nfs/dbraw/zinc/56/74/16/491567416.db2.gz RGLCMDJPNMRUFV-QGZVFWFLSA-N 1 3 364.490 0.619 20 0 FCADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568294430 491567886 /nfs/dbraw/zinc/56/78/86/491567886.db2.gz RMGOPROLXRQJDP-INIZCTEOSA-N 1 3 359.474 0.625 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C(=O)OC)C3)CC2)CC1 ZINC000576000807 491575027 /nfs/dbraw/zinc/57/50/27/491575027.db2.gz LDZFXFQABIUHAR-KRWDZBQOSA-N 1 3 367.490 0.583 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000568491702 491580370 /nfs/dbraw/zinc/58/03/70/491580370.db2.gz IUXFPODMDGKIBA-UHFFFAOYSA-N 1 3 358.527 0.689 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000568501507 491580604 /nfs/dbraw/zinc/58/06/04/491580604.db2.gz PBNBKMJSSDLTEI-PBHICJAKSA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568501507 491580605 /nfs/dbraw/zinc/58/06/05/491580605.db2.gz PBNBKMJSSDLTEI-PBHICJAKSA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000568501507 491580606 /nfs/dbraw/zinc/58/06/06/491580606.db2.gz PBNBKMJSSDLTEI-PBHICJAKSA-N 1 3 358.442 0.938 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000576155751 491587385 /nfs/dbraw/zinc/58/73/85/491587385.db2.gz CEMZVLUKWOISNB-SFHVURJKSA-N 1 3 358.486 0.932 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000577085002 491588815 /nfs/dbraw/zinc/58/88/15/491588815.db2.gz QKHMMDBMPMHLGK-GJZGRUSLSA-N 1 3 368.547 0.660 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000561321627 491597507 /nfs/dbraw/zinc/59/75/07/491597507.db2.gz KEVDWWYAQSJFSL-OAHLLOKOSA-N 1 3 356.511 0.448 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000584496527 491597575 /nfs/dbraw/zinc/59/75/75/491597575.db2.gz HSNFNYJXSYUNMH-CVEARBPZSA-N 1 3 350.507 0.943 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000584496527 491597577 /nfs/dbraw/zinc/59/75/77/491597577.db2.gz HSNFNYJXSYUNMH-CVEARBPZSA-N 1 3 350.507 0.943 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000577410633 491620264 /nfs/dbraw/zinc/62/02/64/491620264.db2.gz DDEOVJWVNASZQG-QZTJIDSGSA-N 1 3 367.534 0.944 20 0 FCADHO CC(=O)Nc1ccc(OC[C@@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000568983525 491624161 /nfs/dbraw/zinc/62/41/61/491624161.db2.gz KMUGWNVWZBPWLP-SFHVURJKSA-N 1 3 365.474 0.821 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000576599937 491628700 /nfs/dbraw/zinc/62/87/00/491628700.db2.gz QATSXGNYXZBCOP-WMZOPIPTSA-N 1 3 360.502 0.734 20 0 FCADHO CCN(CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000569049134 491630152 /nfs/dbraw/zinc/63/01/52/491630152.db2.gz YDXYKDCLFMDDNT-IAGOWNOFSA-N 1 3 366.506 0.081 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC[NH2+]CC1 ZINC000569458502 491663318 /nfs/dbraw/zinc/66/33/18/491663318.db2.gz MBQQZNXWSAIJTI-GDBMZVCRSA-N 1 3 369.531 0.629 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000579270090 491694460 /nfs/dbraw/zinc/69/44/60/491694460.db2.gz OKJRATFNBMJBFZ-OAHLLOKOSA-N 1 3 356.511 0.402 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000579270090 491694461 /nfs/dbraw/zinc/69/44/61/491694461.db2.gz OKJRATFNBMJBFZ-OAHLLOKOSA-N 1 3 356.511 0.402 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)Cc2ccccc2C1 ZINC000579377865 491696886 /nfs/dbraw/zinc/69/68/86/491696886.db2.gz BQPZPRJFGMGPKD-SJORKVTESA-N 1 3 371.485 0.039 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461751 491698162 /nfs/dbraw/zinc/69/81/62/491698162.db2.gz PIFKOKIQLTUMIK-HOTGVXAUSA-N 1 3 350.507 0.776 20 0 FCADHO COC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000579669847 491702506 /nfs/dbraw/zinc/70/25/06/491702506.db2.gz UEFZXNYDTVAWJK-UHFFFAOYSA-N 1 3 364.446 0.364 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000579735727 491704220 /nfs/dbraw/zinc/70/42/20/491704220.db2.gz MYGBOGWXGKGPCL-NVXWUHKLSA-N 1 3 365.522 0.713 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000579822494 491705955 /nfs/dbraw/zinc/70/59/55/491705955.db2.gz WHEFFQVPKIIPLP-BZSNNMDCSA-N 1 3 362.518 0.921 20 0 FCADHO CN1CCN(C(=O)CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822367 491705993 /nfs/dbraw/zinc/70/59/93/491705993.db2.gz BMOMZYBHRAFHJS-FXAWDEMLSA-N 1 3 358.486 0.996 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)C[NH+]1CCCCC1 ZINC000580006182 491713359 /nfs/dbraw/zinc/71/33/59/491713359.db2.gz OOODIOQGGBMAOA-HZPDHXFCSA-N 1 3 350.507 0.991 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000584828826 491716181 /nfs/dbraw/zinc/71/61/81/491716181.db2.gz CZOZIQVEKMNUQJ-KGLIPLIRSA-N 1 3 363.428 0.702 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000580543532 491735418 /nfs/dbraw/zinc/73/54/18/491735418.db2.gz GXHPLEPRDIFJLX-LHDHZVESSA-N 1 3 369.550 0.814 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000580543532 491735419 /nfs/dbraw/zinc/73/54/19/491735419.db2.gz GXHPLEPRDIFJLX-LHDHZVESSA-N 1 3 369.550 0.814 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)Cc1ccco1 ZINC000581938011 491791193 /nfs/dbraw/zinc/79/11/93/491791193.db2.gz WKJTXCOQAUBEOO-HNNXBMFYSA-N 1 3 350.463 0.757 20 0 FCADHO Cc1ccc(S(N)(=O)=O)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000591285544 491800972 /nfs/dbraw/zinc/80/09/72/491800972.db2.gz BVBZEOHMIXUCQD-UHFFFAOYSA-N 1 3 356.492 0.208 20 0 FCADHO COC(=O)c1c(NCC2(N(C)C)CC2)ncnc1NCC1([NH+](C)C)CC1 ZINC000591370662 491804229 /nfs/dbraw/zinc/80/42/29/491804229.db2.gz YWPBDNCQPOYHLO-UHFFFAOYSA-N 1 3 362.478 1.275 20 0 FCADHO O=C(CCN1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000591448477 491805869 /nfs/dbraw/zinc/80/58/69/491805869.db2.gz IRWMGCYZCVVVSO-KRWDZBQOSA-N 1 3 359.474 0.382 20 0 FCADHO CCN1CCN(CCCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000582727302 491824248 /nfs/dbraw/zinc/82/42/48/491824248.db2.gz GOJXJUBWHVOKRB-SFHVURJKSA-N 1 3 362.522 0.955 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740276 491824907 /nfs/dbraw/zinc/82/49/07/491824907.db2.gz KDZMEEVYOTWVGY-DYVFJYSZSA-N 1 3 354.520 0.140 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740276 491824908 /nfs/dbraw/zinc/82/49/08/491824908.db2.gz KDZMEEVYOTWVGY-DYVFJYSZSA-N 1 3 354.520 0.140 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000582977328 491834925 /nfs/dbraw/zinc/83/49/25/491834925.db2.gz DWMGIXHNWSWVPG-MRXNPFEDSA-N 1 3 354.495 0.156 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000583312204 491842080 /nfs/dbraw/zinc/84/20/80/491842080.db2.gz OABDCXGACUGDST-HRCADAONSA-N 1 3 351.495 0.452 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434844 491844726 /nfs/dbraw/zinc/84/47/26/491844726.db2.gz GHNRWGJPFWTTNH-YLJYHZDGSA-N 1 3 362.518 0.921 20 0 FCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000583555160 491847253 /nfs/dbraw/zinc/84/72/53/491847253.db2.gz GKSAIMJQXRCMJN-LJISPDSOSA-N 1 3 352.479 0.301 20 0 FCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000583555160 491847254 /nfs/dbraw/zinc/84/72/54/491847254.db2.gz GKSAIMJQXRCMJN-LJISPDSOSA-N 1 3 352.479 0.301 20 0 FCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000583555159 491847285 /nfs/dbraw/zinc/84/72/85/491847285.db2.gz GKSAIMJQXRCMJN-KBXIAJHMSA-N 1 3 352.479 0.301 20 0 FCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000583555159 491847286 /nfs/dbraw/zinc/84/72/86/491847286.db2.gz GKSAIMJQXRCMJN-KBXIAJHMSA-N 1 3 352.479 0.301 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000584068760 491857884 /nfs/dbraw/zinc/85/78/84/491857884.db2.gz GHWSNXDBXQBZJL-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000611839624 491877515 /nfs/dbraw/zinc/87/75/15/491877515.db2.gz VRKAJZIOFBZYEQ-OAHLLOKOSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000595263273 491908501 /nfs/dbraw/zinc/90/85/01/491908501.db2.gz RMAGFJDYDWHJJV-ZQDZILKHSA-N 1 3 363.462 0.662 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263548 491908539 /nfs/dbraw/zinc/90/85/39/491908539.db2.gz FEVRAEHPEKNLKF-IAGOWNOFSA-N 1 3 372.473 0.251 20 0 FCADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594603 491936628 /nfs/dbraw/zinc/93/66/28/491936628.db2.gz NFPZYVYNSPNNNS-INIZCTEOSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612597198 491937348 /nfs/dbraw/zinc/93/73/48/491937348.db2.gz CJGRNRVEMQLPIK-INIZCTEOSA-N 1 3 354.495 0.155 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777563 491950311 /nfs/dbraw/zinc/95/03/11/491950311.db2.gz YRBJABUKYRAVND-UHFFFAOYSA-N 1 3 350.507 0.777 20 0 FCADHO COC(=O)[C@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000596223346 491980195 /nfs/dbraw/zinc/98/01/95/491980195.db2.gz PICFZPTWEORACE-CTYIDZIISA-N 1 3 352.479 0.796 20 0 FCADHO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000614437069 492029918 /nfs/dbraw/zinc/02/99/18/492029918.db2.gz BXDISYNOBNNZDF-GOSISDBHSA-N 1 3 352.523 0.727 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274011 492084133 /nfs/dbraw/zinc/08/41/33/492084133.db2.gz JNACGNGJHVWOES-OAQYLSRUSA-N 1 3 372.513 0.329 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274011 492084135 /nfs/dbraw/zinc/08/41/35/492084135.db2.gz JNACGNGJHVWOES-OAQYLSRUSA-N 1 3 372.513 0.329 20 0 FCADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000605882252 492105052 /nfs/dbraw/zinc/10/50/52/492105052.db2.gz ODCYFPOMQAWLDF-HNNXBMFYSA-N 1 3 356.511 0.896 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000607236021 492141567 /nfs/dbraw/zinc/14/15/67/492141567.db2.gz PDUHECRUIOALND-UHFFFAOYSA-N 1 3 367.469 0.690 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900063 492282616 /nfs/dbraw/zinc/28/26/16/492282616.db2.gz RMEIYEXFZBHRCT-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900063 492282617 /nfs/dbraw/zinc/28/26/17/492282617.db2.gz RMEIYEXFZBHRCT-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000647495033 492298512 /nfs/dbraw/zinc/29/85/12/492298512.db2.gz LECDUXMZNOGOCG-VXGBXAGGSA-N 1 3 354.426 0.947 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2(CCCC2)O1 ZINC000647558422 492305860 /nfs/dbraw/zinc/30/58/60/492305860.db2.gz IWTDVTHAZNGULY-INIZCTEOSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642104452 492335030 /nfs/dbraw/zinc/33/50/30/492335030.db2.gz UNPXXTMSGFYWQM-FGTMMUONSA-N 1 3 358.486 0.486 20 0 FCADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642189644 492339176 /nfs/dbraw/zinc/33/91/76/492339176.db2.gz DJETXGAIRLQFMA-MSOLQXFVSA-N 1 3 374.485 0.128 20 0 FCADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642189645 492339269 /nfs/dbraw/zinc/33/92/69/492339269.db2.gz DJETXGAIRLQFMA-QZTJIDSGSA-N 1 3 374.485 0.128 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000642253931 492345341 /nfs/dbraw/zinc/34/53/41/492345341.db2.gz RGYFVILNFDCELN-MSOLQXFVSA-N 1 3 374.485 0.119 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000642253931 492345344 /nfs/dbraw/zinc/34/53/44/492345344.db2.gz RGYFVILNFDCELN-MSOLQXFVSA-N 1 3 374.485 0.119 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCO1 ZINC000642330480 492352057 /nfs/dbraw/zinc/35/20/57/492352057.db2.gz MBHYTLPLMJKQHB-RBSFLKMASA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642330427 492352319 /nfs/dbraw/zinc/35/23/19/492352319.db2.gz HVRWYVPNQBLDIO-HNAYVOBHSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000642686181 492373228 /nfs/dbraw/zinc/37/32/28/492373228.db2.gz MQDDAKGRMHFNMT-MRXNPFEDSA-N 1 3 362.474 0.502 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000642801802 492395814 /nfs/dbraw/zinc/39/58/14/492395814.db2.gz FNMAXHZHPSHMHO-QAPCUYQASA-N 1 3 374.485 0.342 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887402 492397255 /nfs/dbraw/zinc/39/72/55/492397255.db2.gz SZJGHUCNVLBFKR-DZOHQFGASA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887402 492397257 /nfs/dbraw/zinc/39/72/57/492397257.db2.gz SZJGHUCNVLBFKR-DZOHQFGASA-N 1 3 374.460 0.822 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642906235 492400745 /nfs/dbraw/zinc/40/07/45/492400745.db2.gz ATLXIEXYAMNIQQ-KRWDZBQOSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642906236 492401062 /nfs/dbraw/zinc/40/10/62/492401062.db2.gz ATLXIEXYAMNIQQ-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000642922021 492404546 /nfs/dbraw/zinc/40/45/46/492404546.db2.gz FGYKXMIUSAGGEO-FUHWJXTLSA-N 1 3 358.486 0.835 20 0 FCADHO CCC[C@@H](O)[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655148209 492407109 /nfs/dbraw/zinc/40/71/09/492407109.db2.gz ZMQOJCRXOPSWFH-QZTJIDSGSA-N 1 3 355.523 0.821 20 0 FCADHO C[C@]1(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCC[NH2+]C1 ZINC000642973145 492409113 /nfs/dbraw/zinc/40/91/13/492409113.db2.gz LBYQIVHXHACFPD-IBGZPJMESA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655447839 492444323 /nfs/dbraw/zinc/44/43/23/492444323.db2.gz HBMZGKGGQPTARZ-FXAWDEMLSA-N 1 3 358.486 0.984 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635498969 492458819 /nfs/dbraw/zinc/45/88/19/492458819.db2.gz NCWHCAAYCWPAAZ-UHFFFAOYSA-N 1 3 350.507 0.875 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000643478810 492475074 /nfs/dbraw/zinc/47/50/74/492475074.db2.gz HXRILQYHNVEJDL-UHFFFAOYSA-N 1 3 359.474 0.578 20 0 FCADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000643478943 492475514 /nfs/dbraw/zinc/47/55/14/492475514.db2.gz TWKLPLCKYYGLGT-SFHVURJKSA-N 1 3 371.485 0.721 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500568 492483741 /nfs/dbraw/zinc/48/37/41/492483741.db2.gz CDVDLVBYGGHLJP-XHSDSOJGSA-N 1 3 350.507 0.905 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000643505653 492484796 /nfs/dbraw/zinc/48/47/96/492484796.db2.gz OGRBNRBNVUWYHP-GVDBMIGSSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643524406 492490310 /nfs/dbraw/zinc/49/03/10/492490310.db2.gz WJQCYCKAZYXXSK-GDBMZVCRSA-N 1 3 364.515 0.849 20 0 FCADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000643524376 492490344 /nfs/dbraw/zinc/49/03/44/492490344.db2.gz NUJNSKPPKYSXJC-GOEBONIOSA-N 1 3 350.463 0.756 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531753 492491398 /nfs/dbraw/zinc/49/13/98/492491398.db2.gz GHAMHPKMZARPDJ-MSOLQXFVSA-N 1 3 358.486 0.787 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643531934 492492530 /nfs/dbraw/zinc/49/25/30/492492530.db2.gz ZYBAUCINYZKGAU-KSZLIROESA-N 1 3 356.470 0.397 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635731930 492498490 /nfs/dbraw/zinc/49/84/90/492498490.db2.gz SSCPFKXCDGLQTD-KRWDZBQOSA-N 1 3 360.502 0.734 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000655976136 492500189 /nfs/dbraw/zinc/50/01/89/492500189.db2.gz ZMKRDQKESGFKAH-PMPSAXMXSA-N 1 3 351.495 0.500 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H](N)C3)C2)C1 ZINC000643593933 492503697 /nfs/dbraw/zinc/50/36/97/492503697.db2.gz JOJPSHCUVKZJEV-QKLQHJQFSA-N 1 3 374.460 0.633 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H](N)C3)C2)C1 ZINC000643593933 492503700 /nfs/dbraw/zinc/50/37/00/492503700.db2.gz JOJPSHCUVKZJEV-QKLQHJQFSA-N 1 3 374.460 0.633 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)N(C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649272211 492516273 /nfs/dbraw/zinc/51/62/73/492516273.db2.gz ZFATZCODDLKXOO-UHFFFAOYSA-N 1 3 373.545 0.871 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000649311548 492528464 /nfs/dbraw/zinc/52/84/64/492528464.db2.gz YWJXXIQFKCFSRH-HNNXBMFYSA-N 1 3 368.428 0.839 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649327693 492535332 /nfs/dbraw/zinc/53/53/32/492535332.db2.gz FCCYGUVZYZHLCB-OAHLLOKOSA-N 1 3 368.428 0.839 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649328319 492535743 /nfs/dbraw/zinc/53/57/43/492535743.db2.gz OLPQRTDVLOPICR-PIIMJCKOSA-N 1 3 356.470 0.594 20 0 FCADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000636155868 492557521 /nfs/dbraw/zinc/55/75/21/492557521.db2.gz CWVRIKNRSFCIFU-MSOLQXFVSA-N 1 3 351.491 0.857 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656304820 492579631 /nfs/dbraw/zinc/57/96/31/492579631.db2.gz ICBUIHUEHIDMTE-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCN1CC[C@@H](O)C1 ZINC000629174950 492584056 /nfs/dbraw/zinc/58/40/56/492584056.db2.gz PPMYOXWRXSNVHD-LJQANCHMSA-N 1 3 360.502 0.772 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357860 492611779 /nfs/dbraw/zinc/61/17/79/492611779.db2.gz HHYYHMDMDJZIJY-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357860 492611782 /nfs/dbraw/zinc/61/17/82/492611782.db2.gz HHYYHMDMDJZIJY-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000629792624 492673614 /nfs/dbraw/zinc/67/36/14/492673614.db2.gz WAKKIBKYDLFXKL-KRWDZBQOSA-N 1 3 361.490 0.702 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629793567 492674471 /nfs/dbraw/zinc/67/44/71/492674471.db2.gz FZBVCSZFLHYFCX-CHWSQXEVSA-N 1 3 364.412 0.526 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873549 492807573 /nfs/dbraw/zinc/80/75/73/492807573.db2.gz KIZAPDSKVMZZBA-LJQANCHMSA-N 1 3 357.458 0.284 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873549 492807577 /nfs/dbraw/zinc/80/75/77/492807577.db2.gz KIZAPDSKVMZZBA-LJQANCHMSA-N 1 3 357.458 0.284 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000644910528 492823793 /nfs/dbraw/zinc/82/37/93/492823793.db2.gz WTMBLWLHECFMLI-DOTOQJQBSA-N 1 3 357.458 0.283 20 0 FCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000631857020 492864713 /nfs/dbraw/zinc/86/47/13/492864713.db2.gz CJKQIECRYXFMQW-IRXDYDNUSA-N 1 3 360.568 0.758 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCCN1CCCC1 ZINC000631930999 492890462 /nfs/dbraw/zinc/89/04/62/492890462.db2.gz DBTJFSVBMHMPRI-HNNXBMFYSA-N 1 3 360.524 0.122 20 0 FCADHO O=C(Cc1cccc2c1CC[NH2+]C2)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638099278 492904983 /nfs/dbraw/zinc/90/49/83/492904983.db2.gz RUUKBTMLIIMKEP-UHFFFAOYSA-N 1 3 370.497 0.641 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652289853 492907515 /nfs/dbraw/zinc/90/75/15/492907515.db2.gz HYHLKOBNBYVNSV-UHFFFAOYSA-N 1 3 350.467 0.328 20 0 FCADHO O=C(CN1CC[NH2+]CC1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000638137815 492915991 /nfs/dbraw/zinc/91/59/91/492915991.db2.gz OPOBDXXQRZAJSB-UHFFFAOYSA-N 1 3 373.545 0.606 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140137 492917780 /nfs/dbraw/zinc/91/77/80/492917780.db2.gz VNSKBBHOKVLLKT-PKOBYXMFSA-N 1 3 360.502 0.803 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140137 492917784 /nfs/dbraw/zinc/91/77/84/492917784.db2.gz VNSKBBHOKVLLKT-PKOBYXMFSA-N 1 3 360.502 0.803 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@H]3C[NH2+]CCCO3)cc21 ZINC000638264269 492925587 /nfs/dbraw/zinc/92/55/87/492925587.db2.gz FTFRWQDOPKDKMB-CQSZACIVSA-N 1 3 361.446 0.412 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000652424419 492927969 /nfs/dbraw/zinc/92/79/69/492927969.db2.gz LZNCJZFXIWBRNI-QGZVFWFLSA-N 1 3 368.522 0.500 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CC1 ZINC000638439016 492947273 /nfs/dbraw/zinc/94/72/73/492947273.db2.gz GKFQMCAIAWBDKR-HNNXBMFYSA-N 1 3 360.506 0.867 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652479660 492947677 /nfs/dbraw/zinc/94/76/77/492947677.db2.gz SRMNCTWPLHIFKC-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000652479660 492947680 /nfs/dbraw/zinc/94/76/80/492947680.db2.gz SRMNCTWPLHIFKC-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)(O)CN1CCC([NH2+]CCS(=O)(=O)N2CCSCC2)CC1 ZINC000638530151 492958816 /nfs/dbraw/zinc/95/88/16/492958816.db2.gz HWLBXWGEDYSSLC-UHFFFAOYSA-N 1 3 365.565 0.190 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002957 492999249 /nfs/dbraw/zinc/99/92/49/492999249.db2.gz LIIJMLYXPICOHG-FRQCXROJSA-N 1 3 352.523 0.757 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002957 492999252 /nfs/dbraw/zinc/99/92/52/492999252.db2.gz LIIJMLYXPICOHG-FRQCXROJSA-N 1 3 352.523 0.757 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652728835 493006952 /nfs/dbraw/zinc/00/69/52/493006952.db2.gz CNMFAEVLPBYYHN-YLFCFFPRSA-N 1 3 366.506 0.284 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652731005 493009304 /nfs/dbraw/zinc/00/93/04/493009304.db2.gz YWIMYFPCWXJXCT-ZOBUZTSGSA-N 1 3 366.506 0.284 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000652731136 493009455 /nfs/dbraw/zinc/00/94/55/493009455.db2.gz CAQILRHVPNNFNZ-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652733950 493011579 /nfs/dbraw/zinc/01/15/79/493011579.db2.gz VDPAMBOAJIFWIF-YVSFHVDLSA-N 1 3 366.506 0.284 20 0 FCADHO CN1CCN(CCCNC(=O)[C@H](N)CC[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000653124857 493075723 /nfs/dbraw/zinc/07/57/23/493075723.db2.gz JHFZNYTYBRUBPD-MOPGFXCFSA-N 1 3 361.534 0.760 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1=O ZINC000653261431 493087556 /nfs/dbraw/zinc/08/75/56/493087556.db2.gz RJZJRDMXIQOSJG-YYIAUSFCSA-N 1 3 366.506 0.284 20 0 FCADHO CN1CCC(n2cc(NC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000632961936 493098255 /nfs/dbraw/zinc/09/82/55/493098255.db2.gz WTOUDNJLQWKLPM-QGZVFWFLSA-N 1 3 361.494 0.661 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653372329 493105228 /nfs/dbraw/zinc/10/52/28/493105228.db2.gz GVFHMHRGSYXEEM-KRWDZBQOSA-N 1 3 356.536 0.484 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000633027128 493105358 /nfs/dbraw/zinc/10/53/58/493105358.db2.gz CEWBICDCHGYJRE-ROUUACIJSA-N 1 3 371.485 0.335 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000633040447 493108734 /nfs/dbraw/zinc/10/87/34/493108734.db2.gz XMQBCTHSIDJFSU-RDJZCZTQSA-N 1 3 373.501 0.711 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633092812 493122710 /nfs/dbraw/zinc/12/27/10/493122710.db2.gz CHJHDLJQEJMXPA-OKILXGFUSA-N 1 3 350.488 0.601 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627295314 493138204 /nfs/dbraw/zinc/13/82/04/493138204.db2.gz ZWFPPLHVOGWLNB-YNEHKIRRSA-N 1 3 366.428 0.819 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627295349 493138268 /nfs/dbraw/zinc/13/82/68/493138268.db2.gz ANIDMTXUBLYXGR-OAHLLOKOSA-N 1 3 356.511 0.437 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCN1C ZINC000627305009 493143253 /nfs/dbraw/zinc/14/32/53/493143253.db2.gz LJDYWHOHZBYVRZ-XQHKEYJVSA-N 1 3 364.412 0.571 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)o3)C[C@@H]21 ZINC000633316764 493145203 /nfs/dbraw/zinc/14/52/03/493145203.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 1 3 372.469 0.832 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)o3)C[C@@H]21 ZINC000633316764 493145207 /nfs/dbraw/zinc/14/52/07/493145207.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 1 3 372.469 0.832 20 0 FCADHO CN1CC[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@H]5CC[N@H+](C)[C@H]5C4)o3)C[C@H]21 ZINC000633316764 493145211 /nfs/dbraw/zinc/14/52/11/493145211.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 1 3 372.469 0.832 20 0 FCADHO CN1CC[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@H]5CC[N@@H+](C)[C@H]5C4)o3)C[C@H]21 ZINC000633316764 493145214 /nfs/dbraw/zinc/14/52/14/493145214.db2.gz HZQQVIGCPCADAC-SYMSYNOKSA-N 1 3 372.469 0.832 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627318785 493149711 /nfs/dbraw/zinc/14/97/11/493149711.db2.gz AGLBDWDIYBLTRP-PWSUYJOCSA-N 1 3 350.385 0.183 20 0 FCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659095308 493149770 /nfs/dbraw/zinc/14/97/70/493149770.db2.gz BOURKCSBZIYYTA-KBPBESRZSA-N 1 3 359.474 0.825 20 0 FCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000659095310 493150268 /nfs/dbraw/zinc/15/02/68/493150268.db2.gz BOURKCSBZIYYTA-UONOGXRCSA-N 1 3 359.474 0.825 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627345997 493166591 /nfs/dbraw/zinc/16/65/91/493166591.db2.gz BHQMGUHQOHLOSQ-STQMWFEESA-N 1 3 366.428 0.820 20 0 FCADHO CN1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000627368536 493182718 /nfs/dbraw/zinc/18/27/18/493182718.db2.gz XHUKAWUNKXHERU-GUTXKFCHSA-N 1 3 350.488 0.725 20 0 FCADHO COCC[C@H]([NH3+])Cc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230806 493184762 /nfs/dbraw/zinc/18/47/62/493184762.db2.gz UUAYYTMIGFGBQA-PKOBYXMFSA-N 1 3 359.474 0.821 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000659318626 493190705 /nfs/dbraw/zinc/19/07/05/493190705.db2.gz TVGRADGYLOJZQN-INIZCTEOSA-N 1 3 366.462 0.131 20 0 FCADHO CN(CCOCC[NH3+])C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000627390796 493198974 /nfs/dbraw/zinc/19/89/74/493198974.db2.gz YBJIRVYREADWKQ-UHFFFAOYSA-N 1 3 362.474 0.201 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000672562121 493206565 /nfs/dbraw/zinc/20/65/65/493206565.db2.gz RWICYXQSTQHECX-UHFFFAOYSA-N 1 3 363.506 0.427 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000659548965 493211668 /nfs/dbraw/zinc/21/16/68/493211668.db2.gz JPUHURGGTWNFJT-QZTJIDSGSA-N 1 3 362.474 0.431 20 0 FCADHO CN1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000659566338 493213480 /nfs/dbraw/zinc/21/34/80/493213480.db2.gz JPXVJAANTFTGSD-SFHVURJKSA-N 1 3 360.506 0.578 20 0 FCADHO CCCN1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000659611982 493221131 /nfs/dbraw/zinc/22/11/31/493221131.db2.gz UVMIHAGXESCJQO-YESZJQIVSA-N 1 3 365.522 0.761 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672643174 493228324 /nfs/dbraw/zinc/22/83/24/493228324.db2.gz SKPMTMMECJKLMM-INIZCTEOSA-N 1 3 367.538 0.070 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000666972581 493243346 /nfs/dbraw/zinc/24/33/46/493243346.db2.gz BHXGYGQCQAHVJC-KRWDZBQOSA-N 1 3 368.522 0.992 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000666975134 493244325 /nfs/dbraw/zinc/24/43/25/493244325.db2.gz IRRWNNMNWHVKTK-KRWDZBQOSA-N 1 3 368.522 0.774 20 0 FCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704038 493263241 /nfs/dbraw/zinc/26/32/41/493263241.db2.gz HUTHKBDBLNXWNV-MSOLQXFVSA-N 1 3 362.518 0.825 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659726878 493274366 /nfs/dbraw/zinc/27/43/66/493274366.db2.gz CEMDQEWUJZJCJL-SFHVURJKSA-N 1 3 373.501 0.478 20 0 FCADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727164 493274464 /nfs/dbraw/zinc/27/44/64/493274464.db2.gz HSAHQAYDANFZJZ-ZWKOTPCHSA-N 1 3 373.501 0.653 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000667363245 493278696 /nfs/dbraw/zinc/27/86/96/493278696.db2.gz JNYJEDCJRBEYPA-UHFFFAOYSA-N 1 3 364.494 0.812 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739459 493280394 /nfs/dbraw/zinc/28/03/94/493280394.db2.gz USXHPLIXALAZLC-SJORKVTESA-N 1 3 350.507 0.825 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659739086 493280630 /nfs/dbraw/zinc/28/06/30/493280630.db2.gz MYCPZGCOMSHRIF-YESZJQIVSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000659750073 493285257 /nfs/dbraw/zinc/28/52/57/493285257.db2.gz MDUAQRXYBNKZKY-KRWDZBQOSA-N 1 3 360.502 0.878 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750509 493286227 /nfs/dbraw/zinc/28/62/27/493286227.db2.gz CLUSSCMWCJUTGV-DOTOQJQBSA-N 1 3 361.490 0.619 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H]1CN ZINC000659757429 493287168 /nfs/dbraw/zinc/28/71/68/493287168.db2.gz YDHDHFJDNVJPHA-YOEHRIQHSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000667559129 493289716 /nfs/dbraw/zinc/28/97/16/493289716.db2.gz CNIWUVWGKSAMNR-CYBMUJFWSA-N 1 3 350.488 0.680 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661508789 493443735 /nfs/dbraw/zinc/44/37/35/493443735.db2.gz QHLNOAQMZQEIAI-MRXNPFEDSA-N 1 3 365.522 0.809 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661508789 493443736 /nfs/dbraw/zinc/44/37/36/493443736.db2.gz QHLNOAQMZQEIAI-MRXNPFEDSA-N 1 3 365.522 0.809 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251727 493483637 /nfs/dbraw/zinc/48/36/37/493483637.db2.gz YOKNOJRFVCUPDP-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000669251727 493483639 /nfs/dbraw/zinc/48/36/39/493483639.db2.gz YOKNOJRFVCUPDP-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CN(CCN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1)Cc1ccccc1 ZINC000662446268 493515778 /nfs/dbraw/zinc/51/57/78/493515778.db2.gz VFFJNDNXZCLLHL-UHFFFAOYSA-N 1 3 371.489 0.127 20 0 FCADHO CN1CCC[C@@H](N2CCN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC2)C1 ZINC000662463150 493517688 /nfs/dbraw/zinc/51/76/88/493517688.db2.gz VFRUBMBLCWLPBU-MRXNPFEDSA-N 1 3 361.490 0.994 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638716 493529308 /nfs/dbraw/zinc/52/93/08/493529308.db2.gz VLDQDXYQQNYWFK-QGZVFWFLSA-N 1 3 359.474 0.278 20 0 FCADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000662724675 493535471 /nfs/dbraw/zinc/53/54/71/493535471.db2.gz SGVWLGBULJCPDD-ZWKOTPCHSA-N 1 3 374.485 0.492 20 0 FCADHO N[C@H](CC(F)F)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016684 493566814 /nfs/dbraw/zinc/56/68/14/493566814.db2.gz DTJRFNBWKLDTRK-VXGBXAGGSA-N 1 3 356.421 0.508 20 0 FCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663020028 493567093 /nfs/dbraw/zinc/56/70/93/493567093.db2.gz VNAPXKLOMRJVSU-OAGGEKHMSA-N 1 3 360.506 0.913 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000670545910 493579453 /nfs/dbraw/zinc/57/94/53/493579453.db2.gz SJAXEHNQBSGLSD-SFHVURJKSA-N 1 3 358.486 0.930 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NCCC[NH+]2CCC(O)CC2)n1 ZINC000663402207 493587258 /nfs/dbraw/zinc/58/72/58/493587258.db2.gz JLDYYGXRUSNISD-UHFFFAOYSA-N 1 3 353.471 0.355 20 0 FCADHO CCOc1ccc(N2CCN(C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)nn1 ZINC000663506673 493593136 /nfs/dbraw/zinc/59/31/36/493593136.db2.gz NNJDETCYXYEGGB-HNNXBMFYSA-N 1 3 362.478 0.195 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663553443 493596895 /nfs/dbraw/zinc/59/68/95/493596895.db2.gz QGPQFPLZHYPLIE-UHFFFAOYSA-N 1 3 355.527 0.768 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071270 493629343 /nfs/dbraw/zinc/62/93/43/493629343.db2.gz SLJYFOODRRUUFM-ZQIUZPCESA-N 1 3 354.520 0.283 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071270 493629346 /nfs/dbraw/zinc/62/93/46/493629346.db2.gz SLJYFOODRRUUFM-ZQIUZPCESA-N 1 3 354.520 0.283 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000671071992 493630012 /nfs/dbraw/zinc/63/00/12/493630012.db2.gz YUWLRCCVWDGRRY-QGZVFWFLSA-N 1 3 356.536 0.388 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091185 493631387 /nfs/dbraw/zinc/63/13/87/493631387.db2.gz VHOXTNQPGSRLRY-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000671090772 493631750 /nfs/dbraw/zinc/63/17/50/493631750.db2.gz MKJXEMXOYLLEKH-GOSISDBHSA-N 1 3 358.486 0.965 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000671365614 493660922 /nfs/dbraw/zinc/66/09/22/493660922.db2.gz IVUDAKMYWYURDF-SJORKVTESA-N 1 3 367.538 0.071 20 0 FCADHO C[C@H](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)[NH+]1CCCCC1 ZINC000664643749 493674883 /nfs/dbraw/zinc/67/48/83/493674883.db2.gz XAJOSLQUKAZDQL-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000664646982 493675126 /nfs/dbraw/zinc/67/51/26/493675126.db2.gz JUFULZTUJWSMIL-KRWDZBQOSA-N 1 3 356.511 0.897 20 0 FCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236407 493706432 /nfs/dbraw/zinc/70/64/32/493706432.db2.gz LWOYKRWCKRMBQG-WCFLWFBJSA-N 1 3 371.279 0.916 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010237 493723937 /nfs/dbraw/zinc/72/39/37/493723937.db2.gz MPARPUBOLJUKLX-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000672099035 493735505 /nfs/dbraw/zinc/73/55/05/493735505.db2.gz PEXRMCDOLSFUJH-SJORKVTESA-N 1 3 367.538 0.071 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000672099035 493735507 /nfs/dbraw/zinc/73/55/07/493735507.db2.gz PEXRMCDOLSFUJH-SJORKVTESA-N 1 3 367.538 0.071 20 0 FCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666151177 493760435 /nfs/dbraw/zinc/76/04/35/493760435.db2.gz FHCRIDGCVSXRCG-LJQANCHMSA-N 1 3 363.506 0.905 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423379471 536460180 /nfs/dbraw/zinc/46/01/80/536460180.db2.gz XSDVTGXEWHESFH-AWEZNQCLSA-N 1 3 352.504 0.706 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424493098 536460194 /nfs/dbraw/zinc/46/01/94/536460194.db2.gz JMOKUXPYQHWFAS-GBESFXJTSA-N 1 3 370.497 0.787 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795832 529098708 /nfs/dbraw/zinc/09/87/08/529098708.db2.gz SOHBIMPCQQNSLQ-XHSDSOJGSA-N 1 3 354.495 0.996 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000413795832 529098713 /nfs/dbraw/zinc/09/87/13/529098713.db2.gz SOHBIMPCQQNSLQ-XHSDSOJGSA-N 1 3 354.495 0.996 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423504209 535062104 /nfs/dbraw/zinc/06/21/04/535062104.db2.gz KSTZSRAWCVCIMV-SJORKVTESA-N 1 3 368.522 0.530 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419692520 535072296 /nfs/dbraw/zinc/07/22/96/535072296.db2.gz GZRBATIZOLCJSK-CVEARBPZSA-N 1 3 354.495 0.108 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419158927 535082115 /nfs/dbraw/zinc/08/21/15/535082115.db2.gz WUHRBYVRCSAYBM-ARFHVFGLSA-N 1 3 368.522 0.700 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419158927 535082120 /nfs/dbraw/zinc/08/21/20/535082120.db2.gz WUHRBYVRCSAYBM-ARFHVFGLSA-N 1 3 368.522 0.700 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000419158929 535082969 /nfs/dbraw/zinc/08/29/69/535082969.db2.gz WUHRBYVRCSAYBM-OAGGEKHMSA-N 1 3 368.522 0.700 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000419158929 535082975 /nfs/dbraw/zinc/08/29/75/535082975.db2.gz WUHRBYVRCSAYBM-OAGGEKHMSA-N 1 3 368.522 0.700 20 0 FCADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419171191 535200744 /nfs/dbraw/zinc/20/07/44/535200744.db2.gz XGLJMRIJFCIGRB-INIZCTEOSA-N 1 3 362.474 0.247 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419761645 535296975 /nfs/dbraw/zinc/29/69/75/535296975.db2.gz KUSCZFUAJGKZDF-IAGOWNOFSA-N 1 3 368.522 0.579 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179626 535439596 /nfs/dbraw/zinc/43/95/96/535439596.db2.gz ZTXZJCZAQHQQOK-PMUMKWKESA-N 1 3 354.495 0.223 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000444179626 535439600 /nfs/dbraw/zinc/43/96/00/535439600.db2.gz ZTXZJCZAQHQQOK-PMUMKWKESA-N 1 3 354.495 0.223 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369451 535669240 /nfs/dbraw/zinc/66/92/40/535669240.db2.gz HTQYHXAFNIRJAZ-ROUUACIJSA-N 1 3 360.502 0.876 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908444 535862572 /nfs/dbraw/zinc/86/25/72/535862572.db2.gz DWEZTQOQKSMWAE-OAHLLOKOSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423361996 535868392 /nfs/dbraw/zinc/86/83/92/535868392.db2.gz HKTMZGOLRXCUFI-GOSISDBHSA-N 1 3 364.515 0.850 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCO1 ZINC000453708031 535967606 /nfs/dbraw/zinc/96/76/06/535967606.db2.gz BQKLVTAEWZXNSQ-FUHWJXTLSA-N 1 3 374.485 0.963 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCSC1 ZINC000419576599 536141157 /nfs/dbraw/zinc/14/11/57/536141157.db2.gz CKZHIWYPHJFOKV-KRWDZBQOSA-N 1 3 354.520 0.142 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000419758121 536368409 /nfs/dbraw/zinc/36/84/09/536368409.db2.gz DMRBOVPTZUHENX-QZTJIDSGSA-N 1 3 358.486 0.834 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(N3CCC(OC)CC3)CCCC2)C1 ZINC000419756470 536416314 /nfs/dbraw/zinc/41/63/14/536416314.db2.gz SEUDDHSNMWQZOU-HNNXBMFYSA-N 1 3 366.506 0.347 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000419688145 536416699 /nfs/dbraw/zinc/41/66/99/536416699.db2.gz ZQFCHEUUZSTMLA-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000423596614 536466008 /nfs/dbraw/zinc/46/60/08/536466008.db2.gz SALASUGVDKERPA-GOSISDBHSA-N 1 3 373.501 0.967 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000414778409 536469603 /nfs/dbraw/zinc/46/96/03/536469603.db2.gz PZPOMYGXWNPDHQ-QGZVFWFLSA-N 1 3 362.474 0.914 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424526294 536779758 /nfs/dbraw/zinc/77/97/58/536779758.db2.gz RVMWPQGDEAYCMN-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948410430 674377215 /nfs/dbraw/zinc/37/72/15/674377215.db2.gz PKTLMIAIKWCIOL-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948410430 674377216 /nfs/dbraw/zinc/37/72/16/674377216.db2.gz PKTLMIAIKWCIOL-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO COCC[NH2+]CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418505926 546907080 /nfs/dbraw/zinc/90/70/80/546907080.db2.gz GMTDZAJYLYJYOX-HZPDHXFCSA-N 1 3 356.511 0.753 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420159057 546909771 /nfs/dbraw/zinc/90/97/71/546909771.db2.gz HPSBREKJGXYKQO-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO COC[C@]1(CNC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000641800256 546960042 /nfs/dbraw/zinc/96/00/42/546960042.db2.gz AYMWYGDFBCASOR-FUHWJXTLSA-N 1 3 353.511 0.176 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940994 547075096 /nfs/dbraw/zinc/07/50/96/547075096.db2.gz RFRLFXVNHYAUCX-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549940994 547075099 /nfs/dbraw/zinc/07/50/99/547075099.db2.gz RFRLFXVNHYAUCX-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000550838746 547109895 /nfs/dbraw/zinc/10/98/95/547109895.db2.gz LIDDOHPAUZPPIS-GOSISDBHSA-N 1 3 370.563 0.778 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550835715 547110574 /nfs/dbraw/zinc/11/05/74/547110574.db2.gz MCTBGMKJPCQISV-CRAIPNDOSA-N 1 3 370.563 0.777 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550835715 547110579 /nfs/dbraw/zinc/11/05/79/547110579.db2.gz MCTBGMKJPCQISV-CRAIPNDOSA-N 1 3 370.563 0.777 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000550911587 547114760 /nfs/dbraw/zinc/11/47/60/547114760.db2.gz SFTFAEPWXZQDES-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000550957732 547117782 /nfs/dbraw/zinc/11/77/82/547117782.db2.gz NJVKSNUCUUMNPC-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000550957732 547117788 /nfs/dbraw/zinc/11/77/88/547117788.db2.gz NJVKSNUCUUMNPC-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)N1CCC(C)CC1 ZINC000552687195 547223324 /nfs/dbraw/zinc/22/33/24/547223324.db2.gz CENBWOJGINCQNZ-INMHGKMJSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552687195 547223329 /nfs/dbraw/zinc/22/33/29/547223329.db2.gz CENBWOJGINCQNZ-INMHGKMJSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC000950255678 674423553 /nfs/dbraw/zinc/42/35/53/674423553.db2.gz OXXDDRDWYQGRIC-HRCADAONSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC000950255678 674423554 /nfs/dbraw/zinc/42/35/54/674423554.db2.gz OXXDDRDWYQGRIC-HRCADAONSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000951095798 674449234 /nfs/dbraw/zinc/44/92/34/674449234.db2.gz UWVUZYXJLNOOGB-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000951095798 674449237 /nfs/dbraw/zinc/44/92/37/674449237.db2.gz UWVUZYXJLNOOGB-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC001022035325 663392634 /nfs/dbraw/zinc/39/26/34/663392634.db2.gz ITIRZPPXGIAWJK-GVDBMIGSSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971560679 663397647 /nfs/dbraw/zinc/39/76/47/663397647.db2.gz IWXBFALVDCEDHQ-QLFBSQMISA-N 1 3 350.463 0.008 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971560679 663397648 /nfs/dbraw/zinc/39/76/48/663397648.db2.gz IWXBFALVDCEDHQ-QLFBSQMISA-N 1 3 350.463 0.008 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000971566240 663398163 /nfs/dbraw/zinc/39/81/63/663398163.db2.gz CGKANWQQUSSTAS-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000971566240 663398164 /nfs/dbraw/zinc/39/81/64/663398164.db2.gz CGKANWQQUSSTAS-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847651 663444727 /nfs/dbraw/zinc/44/47/27/663444727.db2.gz RVYPCMJEUHHEBI-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847651 663444729 /nfs/dbraw/zinc/44/47/29/663444729.db2.gz RVYPCMJEUHHEBI-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892080455 663474036 /nfs/dbraw/zinc/47/40/36/663474036.db2.gz XZAYUGHSSHDTHW-LSDHHAIUSA-N 1 3 351.495 0.500 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892336035 663574627 /nfs/dbraw/zinc/57/46/27/663574627.db2.gz YKNSQCPOSRGQBJ-IRXDYDNUSA-N 1 3 354.495 0.338 20 0 FCADHO COC1CCN(CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892775230 664141112 /nfs/dbraw/zinc/14/11/12/664141112.db2.gz YCTMKAVCTWMMJJ-MRXNPFEDSA-N 1 3 354.495 0.555 20 0 FCADHO CC(C)(O)C[NH+]1CCC(NCC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000895208136 665029576 /nfs/dbraw/zinc/02/95/76/665029576.db2.gz UGALANAPGGILBN-UHFFFAOYSA-N 1 3 357.495 0.793 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000728791451 665165742 /nfs/dbraw/zinc/16/57/42/665165742.db2.gz DGCKDACHJAZPMB-UHFFFAOYSA-N 1 3 371.595 0.935 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000907041434 666088629 /nfs/dbraw/zinc/08/86/29/666088629.db2.gz AALROIVZTPKBGO-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000907041434 666088632 /nfs/dbraw/zinc/08/86/32/666088632.db2.gz AALROIVZTPKBGO-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000911529302 666362332 /nfs/dbraw/zinc/36/23/32/666362332.db2.gz CKNPDAHCVPZCRT-UHFFFAOYSA-N 1 3 354.495 0.191 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@@H+]1C ZINC000941216021 666593695 /nfs/dbraw/zinc/59/36/95/666593695.db2.gz CGFJKUSBFVAPRY-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@H+]1C ZINC000941216021 666593696 /nfs/dbraw/zinc/59/36/96/666593696.db2.gz CGFJKUSBFVAPRY-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000732569597 666889253 /nfs/dbraw/zinc/88/92/53/666889253.db2.gz RVPRAPUDRGRUPQ-HNNXBMFYSA-N 1 3 354.495 0.949 20 0 FCADHO CN(C(=O)[C@H]1CCN(C)C1)c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC000732911750 666909643 /nfs/dbraw/zinc/90/96/43/666909643.db2.gz GWIZWIQAXVXVAA-OLZOCXBDSA-N 1 3 365.503 0.626 20 0 FCADHO CN(C(=O)[C@H]1CCN(C)C1)c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000732911750 666909646 /nfs/dbraw/zinc/90/96/46/666909646.db2.gz GWIZWIQAXVXVAA-OLZOCXBDSA-N 1 3 365.503 0.626 20 0 FCADHO CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1CCN(CCCO)C1 ZINC001033087155 667668949 /nfs/dbraw/zinc/66/89/49/667668949.db2.gz AWTUTZIJFQRQOU-KSZLIROESA-N 1 3 353.507 0.648 20 0 FCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000923481803 667839921 /nfs/dbraw/zinc/83/99/21/667839921.db2.gz LXUJWNLPQBRWLN-KRWDZBQOSA-N 1 3 352.523 0.808 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476913 667850762 /nfs/dbraw/zinc/85/07/62/667850762.db2.gz LDJIZRYHSLFKRZ-MRXNPFEDSA-N 1 3 369.579 0.735 20 0 FCADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820810471 669130642 /nfs/dbraw/zinc/13/06/42/669130642.db2.gz XLLJEFGHBYMLAF-KBPBESRZSA-N 1 3 353.488 0.938 20 0 FCADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000799125480 669282839 /nfs/dbraw/zinc/28/28/39/669282839.db2.gz FZCOIZIGTNOBIH-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055372 669356861 /nfs/dbraw/zinc/35/68/61/669356861.db2.gz MVGUAQWHNDCAQV-HZPDHXFCSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055372 669356865 /nfs/dbraw/zinc/35/68/65/669356865.db2.gz MVGUAQWHNDCAQV-HZPDHXFCSA-N 1 3 354.495 0.012 20 0 FCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1[C@H]1CCCOC1)C2=O ZINC000842619124 670703033 /nfs/dbraw/zinc/70/30/33/670703033.db2.gz UHMGARYZSMYIOT-GJZGRUSLSA-N 1 3 350.463 0.851 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000968012824 675178232 /nfs/dbraw/zinc/17/82/32/675178232.db2.gz FLERYYDPLYQXNJ-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000968012824 675178238 /nfs/dbraw/zinc/17/82/38/675178238.db2.gz FLERYYDPLYQXNJ-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(=O)N(C)C[C@H]3C)CC2)CC1 ZINC000847851072 671230437 /nfs/dbraw/zinc/23/04/37/671230437.db2.gz VESIWSZPLVPCNV-OAHLLOKOSA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CS(N)(=O)=O)c1 ZINC000849066989 671316814 /nfs/dbraw/zinc/31/68/14/671316814.db2.gz VNOABWVPLUNAGP-HNNXBMFYSA-N 1 3 353.492 0.573 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCOCC1 ZINC000849115688 671318930 /nfs/dbraw/zinc/31/89/30/671318930.db2.gz AXEYPQBXUNBLTP-MRXNPFEDSA-N 1 3 353.511 0.466 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853683337 671554132 /nfs/dbraw/zinc/55/41/32/671554132.db2.gz QUVDIGLQZMBNBA-BRWVUGGUSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853683337 671554133 /nfs/dbraw/zinc/55/41/33/671554133.db2.gz QUVDIGLQZMBNBA-BRWVUGGUSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853683340 671554140 /nfs/dbraw/zinc/55/41/40/671554140.db2.gz QUVDIGLQZMBNBA-YESZJQIVSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853683340 671554141 /nfs/dbraw/zinc/55/41/41/671554141.db2.gz QUVDIGLQZMBNBA-YESZJQIVSA-N 1 3 352.479 0.090 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000861739740 671989194 /nfs/dbraw/zinc/98/91/94/671989194.db2.gz LGWIYPSIDWQGHQ-CQSZACIVSA-N 1 3 356.536 0.660 20 0 FCADHO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)N2CCNCC2)cc1 ZINC000923607015 672424829 /nfs/dbraw/zinc/42/48/29/672424829.db2.gz VFAHJNXZCAMPDD-UHFFFAOYSA-N 1 3 356.492 0.257 20 0 FCADHO C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923613590 672443547 /nfs/dbraw/zinc/44/35/47/672443547.db2.gz YIVAKUCNMFABEX-HNNXBMFYSA-N 1 3 352.504 0.952 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883439366 673375516 /nfs/dbraw/zinc/37/55/16/673375516.db2.gz PTZDIZUQNXLVOL-XUWVNRHRSA-N 1 3 351.447 0.582 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N1CCC(C)CC1 ZINC000884502179 673457707 /nfs/dbraw/zinc/45/77/07/673457707.db2.gz CNOIPAGEWFRNDJ-KGLIPLIRSA-N 1 3 360.449 0.584 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884576595 673463175 /nfs/dbraw/zinc/46/31/75/673463175.db2.gz LDNMDLSSCVQQNP-AGIUHOORSA-N 1 3 364.412 0.430 20 0 FCADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000884601733 673465035 /nfs/dbraw/zinc/46/50/35/673465035.db2.gz UIJWLGWSULWSOW-UHFFFAOYSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CCN(C)CC1 ZINC000884623510 673466994 /nfs/dbraw/zinc/46/69/94/673466994.db2.gz FWMPUSVELCETGH-CYZMBNFOSA-N 1 3 362.396 0.349 20 0 FCADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000884631806 673468125 /nfs/dbraw/zinc/46/81/25/673468125.db2.gz YKZCFQTUKYHQTR-DNVCBOLYSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884785642 673482041 /nfs/dbraw/zinc/48/20/41/673482041.db2.gz BNOPMVQOVXAOJA-NXOAAHMSSA-N 1 3 350.507 0.870 20 0 FCADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000884787719 673482226 /nfs/dbraw/zinc/48/22/26/673482226.db2.gz ZWVNPODGPBQYRC-GOEBONIOSA-N 1 3 352.479 0.086 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884876934 673487984 /nfs/dbraw/zinc/48/79/84/673487984.db2.gz PYUBWXRDGASOLJ-XHSDSOJGSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C)C1 ZINC000885276626 673511426 /nfs/dbraw/zinc/51/14/26/673511426.db2.gz SGVZWPXFNGRTCL-MCIONIFRSA-N 1 3 360.449 0.584 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354765 673788630 /nfs/dbraw/zinc/78/86/30/673788630.db2.gz LIQBSKDPKJCGME-CABCVRRESA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000925354765 673788631 /nfs/dbraw/zinc/78/86/31/673788631.db2.gz LIQBSKDPKJCGME-CABCVRRESA-N 1 3 351.495 0.594 20 0 FCADHO CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)N(C)C ZINC001019212109 675422746 /nfs/dbraw/zinc/42/27/46/675422746.db2.gz IDKPCWMSCGDHHO-OAGGEKHMSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)N(C)C ZINC001019212109 675422747 /nfs/dbraw/zinc/42/27/47/675422747.db2.gz IDKPCWMSCGDHHO-OAGGEKHMSA-N 1 3 350.507 0.728 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000969509266 1167997978 /nfs/dbraw/zinc/99/79/78/1167997978.db2.gz WXEZIIGFXPFPNM-PMPSAXMXSA-N 1 3 368.522 0.135 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000970146850 1168403812 /nfs/dbraw/zinc/40/38/12/1168403812.db2.gz RVTZBUTWHSQNCD-VVLHAWIVSA-N 1 3 359.474 0.884 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000970146850 1168403813 /nfs/dbraw/zinc/40/38/13/1168403813.db2.gz RVTZBUTWHSQNCD-VVLHAWIVSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703868 1170107986 /nfs/dbraw/zinc/10/79/86/1170107986.db2.gz PCBCNWKDYPZELO-MGPQQGTHSA-N 1 3 369.510 0.387 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703868 1170107988 /nfs/dbraw/zinc/10/79/88/1170107988.db2.gz PCBCNWKDYPZELO-MGPQQGTHSA-N 1 3 369.510 0.387 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104363734 1170489540 /nfs/dbraw/zinc/48/95/40/1170489540.db2.gz FDWZMWURUWVHAA-HZSPNIEDSA-N 1 3 369.510 0.374 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001691095857 1170801451 /nfs/dbraw/zinc/80/14/51/1170801451.db2.gz MYYPMRFKKQCODA-LJISPDSOSA-N 1 3 363.462 0.828 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001691095857 1170801452 /nfs/dbraw/zinc/80/14/52/1170801452.db2.gz MYYPMRFKKQCODA-LJISPDSOSA-N 1 3 363.462 0.828 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CN1C1CC1 ZINC000891662504 1170801717 /nfs/dbraw/zinc/80/17/17/1170801717.db2.gz YCNWPNVGMDQGGF-JLHFOLKXSA-N 1 3 363.462 0.188 20 0 FCADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNCC(=O)N2CCCC2)C1 ZINC001691378950 1171235417 /nfs/dbraw/zinc/23/54/17/1171235417.db2.gz VPODDSOUUQWXSG-SJORKVTESA-N 1 3 362.518 0.921 20 0 FCADHO CC1CCN(CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]32)CC1 ZINC001022516849 1171353474 /nfs/dbraw/zinc/35/34/74/1171353474.db2.gz ZSYUFQUXWSWCHO-RCCFBDPRSA-N 1 3 362.518 0.729 20 0 FCADHO CC1CCN(CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)CC1 ZINC001022516849 1171353481 /nfs/dbraw/zinc/35/34/81/1171353481.db2.gz ZSYUFQUXWSWCHO-RCCFBDPRSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CCC(C)CC1 ZINC000989066190 1192669876 /nfs/dbraw/zinc/66/98/76/1192669876.db2.gz WXHUNOBGWCZITC-SJORKVTESA-N 1 3 362.518 0.920 20 0 FCADHO CN(C(=O)CC(O)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000537227324 1192788781 /nfs/dbraw/zinc/78/87/81/1192788781.db2.gz AEPYMXAGQCXCOF-HZPDHXFCSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C(=O)CC(O)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000537227324 1192788788 /nfs/dbraw/zinc/78/87/88/1192788788.db2.gz AEPYMXAGQCXCOF-HZPDHXFCSA-N 1 3 368.522 0.233 20 0 FCADHO CCN1CC[C@H](NC[C@@H]2C[C@H](C)CCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001087236741 1179070021 /nfs/dbraw/zinc/07/00/21/1179070021.db2.gz JLMYTSCIJHVZCI-IKGGRYGDSA-N 1 3 362.518 0.920 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211615909 1179986741 /nfs/dbraw/zinc/98/67/41/1179986741.db2.gz MJKRJRIOFJMDDR-YQVWRLOYSA-N 1 3 358.486 0.657 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)C1 ZINC000972639272 1180096454 /nfs/dbraw/zinc/09/64/54/1180096454.db2.gz YIZLGDBKTWCQFX-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)C1 ZINC000972639272 1180096458 /nfs/dbraw/zinc/09/64/58/1180096458.db2.gz YIZLGDBKTWCQFX-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@H]32)CCC1 ZINC000972640791 1180098987 /nfs/dbraw/zinc/09/89/87/1180098987.db2.gz RWUIKCMRSXUGDP-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)CCC1 ZINC000972640791 1180098996 /nfs/dbraw/zinc/09/89/96/1180098996.db2.gz RWUIKCMRSXUGDP-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892497738 1181352678 /nfs/dbraw/zinc/35/26/78/1181352678.db2.gz WMCRHHMCJPRNOB-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO COc1nn(C)cc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522227 1181723901 /nfs/dbraw/zinc/72/39/01/1181723901.db2.gz UJUWFYDZFQTHKS-UHFFFAOYSA-N 1 3 364.494 0.787 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972994158 1181863164 /nfs/dbraw/zinc/86/31/64/1181863164.db2.gz HZZVIIBOQOEKSM-CGTJXYLNSA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000659073613 1181985885 /nfs/dbraw/zinc/98/58/85/1181985885.db2.gz BIANKFJKURDOAA-IAGOWNOFSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892648120 1182000812 /nfs/dbraw/zinc/00/08/12/1182000812.db2.gz CAZWXYSDWISWMF-FRQCXROJSA-N 1 3 365.522 0.522 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892648120 1182000817 /nfs/dbraw/zinc/00/08/17/1182000817.db2.gz CAZWXYSDWISWMF-FRQCXROJSA-N 1 3 365.522 0.522 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000892650820 1182003876 /nfs/dbraw/zinc/00/38/76/1182003876.db2.gz QZBWYAUQXIGXDX-ULQDDVLXSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000892650820 1182003883 /nfs/dbraw/zinc/00/38/83/1182003883.db2.gz QZBWYAUQXIGXDX-ULQDDVLXSA-N 1 3 365.522 0.807 20 0 FCADHO Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)n1 ZINC001104729181 1182401371 /nfs/dbraw/zinc/40/13/71/1182401371.db2.gz PXZQJGKKOQYKKF-CZUORRHYSA-N 1 3 359.478 0.935 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776783 1182496493 /nfs/dbraw/zinc/49/64/93/1182496493.db2.gz IASSIAPRVSAYST-DLBZAZTESA-N 1 3 368.522 0.897 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892789597 1182507632 /nfs/dbraw/zinc/50/76/32/1182507632.db2.gz QSPLEWHITACAAC-DLBZAZTESA-N 1 3 359.474 0.197 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001104811902 1182933210 /nfs/dbraw/zinc/93/32/10/1182933210.db2.gz JFQLCAIDJKOZBN-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO Cc1nccnc1CNCC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908343 1182990814 /nfs/dbraw/zinc/99/08/14/1182990814.db2.gz SOIDQPWYMATBEO-NVXWUHKLSA-N 1 3 363.506 0.937 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC000975214433 1183777239 /nfs/dbraw/zinc/77/72/39/1183777239.db2.gz ASUIORBNZYUVRJ-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC000975214433 1183777250 /nfs/dbraw/zinc/77/72/50/1183777250.db2.gz ASUIORBNZYUVRJ-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211713497 1186698751 /nfs/dbraw/zinc/69/87/51/1186698751.db2.gz NMYMEOFCIJXNGP-RBUKOAKNSA-N 1 3 363.502 0.921 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cn1 ZINC000893871301 1187519564 /nfs/dbraw/zinc/51/95/64/1187519564.db2.gz JJKVTRLNZOXNGK-CVEARBPZSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cn1 ZINC000893871301 1187519568 /nfs/dbraw/zinc/51/95/68/1187519568.db2.gz JJKVTRLNZOXNGK-CVEARBPZSA-N 1 3 359.474 0.730 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001270666620 1188244986 /nfs/dbraw/zinc/24/49/86/1188244986.db2.gz CQCGCFCVMYCAHF-ZIFCJYIRSA-N 1 3 360.502 0.802 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)N1CCN(C)CC1 ZINC000550381480 1188344143 /nfs/dbraw/zinc/34/41/43/1188344143.db2.gz KJWMLRYOPSHPQR-KRWDZBQOSA-N 1 3 369.554 0.173 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1c[nH]cn1 ZINC000984919095 1190276712 /nfs/dbraw/zinc/27/67/12/1190276712.db2.gz FVMLPGKDUXCJTG-YESZJQIVSA-N 1 3 359.474 0.790 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1c[nH]cn1 ZINC000984919094 1190277227 /nfs/dbraw/zinc/27/72/27/1190277227.db2.gz FVMLPGKDUXCJTG-IXDOHACOSA-N 1 3 359.474 0.790 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1)[NH+]1CCCC1 ZINC001088064206 1190340778 /nfs/dbraw/zinc/34/07/78/1190340778.db2.gz RNONDFYNUWAHPL-IXDOHACOSA-N 1 3 362.518 0.920 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC000986159161 1190910088 /nfs/dbraw/zinc/91/00/88/1190910088.db2.gz PJNKZCCGPNPWQO-SOLBZPMBSA-N 1 3 371.485 0.601 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1)N(C)C ZINC000986332347 1190957987 /nfs/dbraw/zinc/95/79/87/1190957987.db2.gz FWDWHUGQPBYBHC-FGTMMUONSA-N 1 3 364.534 0.975 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000986334775 1190958751 /nfs/dbraw/zinc/95/87/51/1190958751.db2.gz ZASDLCWYFHMHOP-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1)N(C)C ZINC000986424125 1190986694 /nfs/dbraw/zinc/98/66/94/1190986694.db2.gz AZATUFLLWCRYBR-SQNIBIBYSA-N 1 3 364.534 0.975 20 0 FCADHO CN1CCN(c2ccc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)nc2)CC1 ZINC001218516001 1224166237 /nfs/dbraw/zinc/16/62/37/1224166237.db2.gz QCWUBOWSYLGZPI-MRXNPFEDSA-N 1 3 358.490 0.646 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000550945797 1193821921 /nfs/dbraw/zinc/82/19/21/1193821921.db2.gz GVTQVGXBJCTZQV-QGZVFWFLSA-N 1 3 368.522 0.548 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000550945797 1193821923 /nfs/dbraw/zinc/82/19/23/1193821923.db2.gz GVTQVGXBJCTZQV-QGZVFWFLSA-N 1 3 368.522 0.548 20 0 FCADHO CC(C)[C@@H]1N(C(=O)C2(N(C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636735 1193843270 /nfs/dbraw/zinc/84/32/70/1193843270.db2.gz CFLDHIJPSFUMDF-VXIBKDFQSA-N 1 3 367.534 0.819 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CC1CCOCC1 ZINC001088757073 1193891418 /nfs/dbraw/zinc/89/14/18/1193891418.db2.gz HKLKWJZTFQEIQW-LKGSSIFKSA-N 1 3 363.502 0.855 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CC1CCOCC1 ZINC001088757073 1193891419 /nfs/dbraw/zinc/89/14/19/1193891419.db2.gz HKLKWJZTFQEIQW-LKGSSIFKSA-N 1 3 363.502 0.855 20 0 FCADHO CN1CCN(c2cc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)ncn2)CC1 ZINC001218573059 1224175907 /nfs/dbraw/zinc/17/59/07/1224175907.db2.gz RLABCQOSOVMIJX-AWEZNQCLSA-N 1 3 359.478 0.041 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105668647 1193953625 /nfs/dbraw/zinc/95/36/25/1193953625.db2.gz XZSMQCHDSNDAIR-VVWQDTPRSA-N 1 3 368.522 0.170 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105668647 1193953630 /nfs/dbraw/zinc/95/36/30/1193953630.db2.gz XZSMQCHDSNDAIR-VVWQDTPRSA-N 1 3 368.522 0.170 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000842267287 1194143920 /nfs/dbraw/zinc/14/39/20/1194143920.db2.gz WGGWGEAXMJVATD-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO Nc1cccnc1N(C(=O)[C@H]1CNCc2ccnn2C1)C1CC[NH2+]CC1 ZINC001218694659 1224196991 /nfs/dbraw/zinc/19/69/91/1224196991.db2.gz CDONJNIIPYMLSA-ZDUSSCGKSA-N 1 3 355.446 0.365 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696146 1224198247 /nfs/dbraw/zinc/19/82/47/1224198247.db2.gz PIPUAHWLZHMBOQ-INIZCTEOSA-N 1 3 362.478 0.383 20 0 FCADHO O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218736582 1224207355 /nfs/dbraw/zinc/20/73/55/1224207355.db2.gz MUQIURKULLYCNJ-AWEZNQCLSA-N 1 3 356.430 0.371 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076418492 1194465591 /nfs/dbraw/zinc/46/55/91/1194465591.db2.gz ADAPYYWURIFHIB-RCCFBDPRSA-N 1 3 362.518 0.870 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462365 1194507427 /nfs/dbraw/zinc/50/74/27/1194507427.db2.gz RSAVGPAAHLTQDE-FGTMMUONSA-N 1 3 360.506 0.769 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462365 1194507436 /nfs/dbraw/zinc/50/74/36/1194507436.db2.gz RSAVGPAAHLTQDE-FGTMMUONSA-N 1 3 360.506 0.769 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC001218810594 1224227779 /nfs/dbraw/zinc/22/77/79/1224227779.db2.gz VIKGCSFKWQPMAG-KBPBESRZSA-N 1 3 362.430 0.801 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@@H](O)COC(C)(C)C)C2 ZINC001276798474 1224250464 /nfs/dbraw/zinc/25/04/64/1224250464.db2.gz DKCHPUHECYLLIL-VQIMIIECSA-N 1 3 371.522 0.275 20 0 FCADHO COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218927698 1224261093 /nfs/dbraw/zinc/26/10/93/1224261093.db2.gz KVPVZCVEMVGGJF-CYBMUJFWSA-N 1 3 363.393 0.764 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)cc2C1 ZINC000904509195 1195540292 /nfs/dbraw/zinc/54/02/92/1195540292.db2.gz DORPBMVIYTWPEA-JLSDUUJJSA-N 1 3 359.474 0.961 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236562 1195734870 /nfs/dbraw/zinc/73/48/70/1195734870.db2.gz GRZZMQABBWJWEV-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236562 1195734876 /nfs/dbraw/zinc/73/48/76/1195734876.db2.gz GRZZMQABBWJWEV-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911066100 1195884805 /nfs/dbraw/zinc/88/48/05/1195884805.db2.gz GMFGINGPURDNKM-QZTJIDSGSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@H]1[NH3+] ZINC000911244650 1195922742 /nfs/dbraw/zinc/92/27/42/1195922742.db2.gz ZQQJKDRUOOLEME-RDTXWAMCSA-N 1 3 374.485 0.065 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(N4CCOCC4)C3)CC2)CC1 ZINC000911635334 1196305864 /nfs/dbraw/zinc/30/58/64/1196305864.db2.gz JYVYWTOOJBWWES-UHFFFAOYSA-N 1 3 364.534 0.726 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088939829 1196842614 /nfs/dbraw/zinc/84/26/14/1196842614.db2.gz MAFFYELNMBRPGU-CVEARBPZSA-N 1 3 364.490 0.446 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088939829 1196842615 /nfs/dbraw/zinc/84/26/15/1196842615.db2.gz MAFFYELNMBRPGU-CVEARBPZSA-N 1 3 364.490 0.446 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249779 1197784180 /nfs/dbraw/zinc/78/41/80/1197784180.db2.gz PMWBXOJGLJDDEQ-DJIMGWMZSA-N 1 3 367.538 0.718 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1)N(C)C ZINC000993072086 1197789379 /nfs/dbraw/zinc/78/93/79/1197789379.db2.gz KAWYYSCPCDQAHX-HLIPFELVSA-N 1 3 364.534 0.975 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1)N(C)C ZINC000993074565 1197794094 /nfs/dbraw/zinc/79/40/94/1197794094.db2.gz VHFHVYPSSPCUTR-FRQCXROJSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000734667526 1197801921 /nfs/dbraw/zinc/80/19/21/1197801921.db2.gz HGTLRSLTSZGCAU-OKZBNKHCSA-N 1 3 365.522 0.271 20 0 FCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000734667526 1197801923 /nfs/dbraw/zinc/80/19/23/1197801923.db2.gz HGTLRSLTSZGCAU-OKZBNKHCSA-N 1 3 365.522 0.271 20 0 FCADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357960 1224439765 /nfs/dbraw/zinc/43/97/65/1224439765.db2.gz RLSVFGJDSNILBF-SQNIBIBYSA-N 1 3 365.449 0.850 20 0 FCADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357960 1224439770 /nfs/dbraw/zinc/43/97/70/1224439770.db2.gz RLSVFGJDSNILBF-SQNIBIBYSA-N 1 3 365.449 0.850 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H](C[NH+]3CCCCC3)C1)C2=O ZINC000742168469 1198154276 /nfs/dbraw/zinc/15/42/76/1198154276.db2.gz AFQJHAQIVDCXFG-INIZCTEOSA-N 1 3 363.506 0.768 20 0 FCADHO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1CNCCN1 ZINC001219489193 1224485841 /nfs/dbraw/zinc/48/58/41/1224485841.db2.gz KXYRWPPQLRVLFJ-QGZVFWFLSA-N 1 3 361.490 0.726 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)Cc1c[nH]cn1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498346 1224487656 /nfs/dbraw/zinc/48/76/56/1224487656.db2.gz WTMJCOMIAZWEOK-KPZWWZAWSA-N 1 3 370.413 0.110 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)Cc1cnc[nH]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498346 1224487659 /nfs/dbraw/zinc/48/76/59/1224487659.db2.gz WTMJCOMIAZWEOK-KPZWWZAWSA-N 1 3 370.413 0.110 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](F)CCN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501225 1224489450 /nfs/dbraw/zinc/48/94/50/1224489450.db2.gz RRQZPPBDCQCCTD-KCJDHBRGSA-N 1 3 362.405 0.907 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219537750 1224502749 /nfs/dbraw/zinc/50/27/49/1224502749.db2.gz PRLGLPUWBLERFZ-QCQGSNGOSA-N 1 3 360.458 0.951 20 0 FCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1COC3(CNC3)CN1)CC21CC[NH2+]CC1 ZINC001219753404 1224595820 /nfs/dbraw/zinc/59/58/20/1224595820.db2.gz HHGPXJFMOAVUFO-ROUUACIJSA-N 1 3 370.497 0.508 20 0 FCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834120 1224645121 /nfs/dbraw/zinc/64/51/21/1224645121.db2.gz OIXRJXPQJLYVAC-KPFFTGBYSA-N 1 3 361.486 0.685 20 0 FCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837757 1224646894 /nfs/dbraw/zinc/64/68/94/1224646894.db2.gz LQXDJKXNVRCAIT-BJLQDIEVSA-N 1 3 361.486 0.848 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847890 1224652807 /nfs/dbraw/zinc/65/28/07/1224652807.db2.gz SWSHJBKYJATSGI-QUSNUVHPSA-N 1 3 368.522 0.526 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCCCC1 ZINC000793695449 1201257993 /nfs/dbraw/zinc/25/79/93/1201257993.db2.gz DDCXAQQDXOHTSK-MRXNPFEDSA-N 1 3 368.522 0.282 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1CCCCC1 ZINC000793695449 1201257995 /nfs/dbraw/zinc/25/79/95/1201257995.db2.gz DDCXAQQDXOHTSK-MRXNPFEDSA-N 1 3 368.522 0.282 20 0 FCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000793737394 1201262687 /nfs/dbraw/zinc/26/26/87/1201262687.db2.gz IHJMNFZBGWBLCT-JKSUJKDBSA-N 1 3 366.506 0.345 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910388 1201423270 /nfs/dbraw/zinc/42/32/70/1201423270.db2.gz QNYOZEMXIJAION-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129985071 1201459686 /nfs/dbraw/zinc/45/96/86/1201459686.db2.gz OAWAKODYYNZDHZ-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130043947 1201485231 /nfs/dbraw/zinc/48/52/31/1201485231.db2.gz IGKUSOSWNPHBHV-BBWFWOEESA-N 1 3 366.510 0.513 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130106941 1201502258 /nfs/dbraw/zinc/50/22/58/1201502258.db2.gz ARASTODJVJYPAL-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)COCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137145 1201514762 /nfs/dbraw/zinc/51/47/62/1201514762.db2.gz LLBMWXVVNPHYTJ-SJORKVTESA-N 1 3 366.510 0.632 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001130137342 1201514946 /nfs/dbraw/zinc/51/49/46/1201514946.db2.gz UPIWBZWNLJGQBG-IKGGRYGDSA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130220805 1201551117 /nfs/dbraw/zinc/55/11/17/1201551117.db2.gz LTKPLZZNHKUJRZ-OFQRWUPVSA-N 1 3 364.494 0.632 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2[NH2+]CCCO)c1 ZINC001130672176 1202751815 /nfs/dbraw/zinc/75/18/15/1202751815.db2.gz KBAQIGOHXTWBRN-DOTOQJQBSA-N 1 3 363.506 0.418 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072083 1202856632 /nfs/dbraw/zinc/85/66/32/1202856632.db2.gz IRHVKSCCCOFMLN-BZUAXINKSA-N 1 3 365.522 0.663 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070513 1202856707 /nfs/dbraw/zinc/85/67/07/1202856707.db2.gz ZDQPRAUHNBLEIE-GVDBMIGSSA-N 1 3 363.506 0.825 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131132993 1202870015 /nfs/dbraw/zinc/87/00/15/1202870015.db2.gz WPPMZBUSBPHPGQ-GVDBMIGSSA-N 1 3 363.506 0.681 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001131558164 1202914022 /nfs/dbraw/zinc/91/40/22/1202914022.db2.gz KPEFZBYYVOJMAF-NXHRZFHOSA-N 1 3 368.522 0.304 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001131562578 1202914276 /nfs/dbraw/zinc/91/42/76/1202914276.db2.gz ZSLLFGHRWHAIPS-GMBSWORKSA-N 1 3 366.506 0.060 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001131570869 1202915437 /nfs/dbraw/zinc/91/54/37/1202915437.db2.gz RKCSVEXSAPIYJP-RYRKJORJSA-N 1 3 368.522 0.448 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131588058 1202916849 /nfs/dbraw/zinc/91/68/49/1202916849.db2.gz OGPTZKAETIOHEZ-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131588058 1202916851 /nfs/dbraw/zinc/91/68/51/1202916851.db2.gz OGPTZKAETIOHEZ-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131596916 1202918988 /nfs/dbraw/zinc/91/89/88/1202918988.db2.gz ASVTYXKZOHTZTL-MJGOQNOKSA-N 1 3 371.522 0.323 20 0 FCADHO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001131608783 1202920547 /nfs/dbraw/zinc/92/05/47/1202920547.db2.gz MTGVFVYMCMGPEA-NUJGCVRESA-N 1 3 368.522 0.576 20 0 FCADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327208 1202993308 /nfs/dbraw/zinc/99/33/08/1202993308.db2.gz YZQHLEKYIUILJN-GXTWGEPZSA-N 1 3 373.457 0.454 20 0 FCADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327210 1202993421 /nfs/dbraw/zinc/99/34/21/1202993421.db2.gz YZQHLEKYIUILJN-OCCSQVGLSA-N 1 3 373.457 0.454 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158871 1224791493 /nfs/dbraw/zinc/79/14/93/1224791493.db2.gz JGMZYSGCUSDIKK-DOXZYTNZSA-N 1 3 374.489 0.352 20 0 FCADHO CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCC ZINC001220230933 1224811165 /nfs/dbraw/zinc/81/11/65/1224811165.db2.gz RSVILFRZZFVJRR-KBPBESRZSA-N 1 3 369.462 0.252 20 0 FCADHO CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(=O)OCC ZINC001220230933 1224811167 /nfs/dbraw/zinc/81/11/67/1224811167.db2.gz RSVILFRZZFVJRR-KBPBESRZSA-N 1 3 369.462 0.252 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000846362290 1204621180 /nfs/dbraw/zinc/62/11/80/1204621180.db2.gz HAEOVIHXAKWOQM-ZWKOTPCHSA-N 1 3 358.486 0.884 20 0 FCADHO N[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)CCC[NH2+]C1 ZINC001220358589 1224842401 /nfs/dbraw/zinc/84/24/01/1224842401.db2.gz VEANHVNHNJNZFJ-MBOZVWFJSA-N 1 3 374.485 0.643 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001144935908 1204661609 /nfs/dbraw/zinc/66/16/09/1204661609.db2.gz KVRRUPANEZHTBD-CEXWTWQISA-N 1 3 360.502 0.802 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735232 1204836287 /nfs/dbraw/zinc/83/62/87/1204836287.db2.gz MLXONLMMJSCVQE-APWZRJJASA-N 1 3 362.518 0.873 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735232 1204836289 /nfs/dbraw/zinc/83/62/89/1204836289.db2.gz MLXONLMMJSCVQE-APWZRJJASA-N 1 3 362.518 0.873 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059603 1204943618 /nfs/dbraw/zinc/94/36/18/1204943618.db2.gz LZGBGNGGSSCURS-KBAYOESNSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCN(CC)C1=O ZINC001087088179 1204977137 /nfs/dbraw/zinc/97/71/37/1204977137.db2.gz MKKWOCUFOALPDN-VNQPRFMTSA-N 1 3 363.462 0.026 20 0 FCADHO CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)N4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910334 1205068862 /nfs/dbraw/zinc/06/88/62/1205068862.db2.gz SLAAMBZJJDPVOY-GUXCAODWSA-N 1 3 362.518 0.872 20 0 FCADHO CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C(C)(C)N4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910334 1205068865 /nfs/dbraw/zinc/06/88/65/1205068865.db2.gz SLAAMBZJJDPVOY-GUXCAODWSA-N 1 3 362.518 0.872 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014616 1205113959 /nfs/dbraw/zinc/11/39/59/1205113959.db2.gz ALUXBUPKSAMSKN-GUXCAODWSA-N 1 3 362.518 0.777 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014616 1205113961 /nfs/dbraw/zinc/11/39/61/1205113961.db2.gz ALUXBUPKSAMSKN-GUXCAODWSA-N 1 3 362.518 0.777 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CCn4cncn4)C[C@@]3(C)C2)C1 ZINC001092014846 1205114290 /nfs/dbraw/zinc/11/42/90/1205114290.db2.gz FVIJNYCZMMRQQC-APWZRJJASA-N 1 3 360.506 0.790 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)C1 ZINC001092014846 1205114299 /nfs/dbraw/zinc/11/42/99/1205114299.db2.gz FVIJNYCZMMRQQC-APWZRJJASA-N 1 3 360.506 0.790 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C[C@H](O)[C@@H]([NH3+])CC2CCCCC2)CCNC1 ZINC001220523582 1224904400 /nfs/dbraw/zinc/90/44/00/1224904400.db2.gz RTXAGCCMLBUHFC-RDJZCZTQSA-N 1 3 367.490 0.962 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)CCNC1 ZINC001220521871 1224905408 /nfs/dbraw/zinc/90/54/08/1224905408.db2.gz RHXGPMSQUZKBBK-AWEZNQCLSA-N 1 3 373.457 0.061 20 0 FCADHO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1occc1CN(C)C ZINC001092918691 1205944516 /nfs/dbraw/zinc/94/45/16/1205944516.db2.gz LWOQWXLTMPLOLW-UKRRQHHQSA-N 1 3 360.462 0.968 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1occc1CN(C)C ZINC001092918691 1205944518 /nfs/dbraw/zinc/94/45/18/1205944518.db2.gz LWOQWXLTMPLOLW-UKRRQHHQSA-N 1 3 360.462 0.968 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094074474 1206179583 /nfs/dbraw/zinc/17/95/83/1206179583.db2.gz BXUWSKOOIJTKKX-CZUORRHYSA-N 1 3 355.442 0.935 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nnc(C2CC2)n1C ZINC001094220797 1206203474 /nfs/dbraw/zinc/20/34/74/1206203474.db2.gz WBUBLQJGSAEICJ-VNQPRFMTSA-N 1 3 360.506 0.828 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nnc(C2CC2)n1C ZINC001094220797 1206203475 /nfs/dbraw/zinc/20/34/75/1206203475.db2.gz WBUBLQJGSAEICJ-VNQPRFMTSA-N 1 3 360.506 0.828 20 0 FCADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001220583673 1224950802 /nfs/dbraw/zinc/95/08/02/1224950802.db2.gz UBJAATPHPQGLGA-OAHLLOKOSA-N 1 3 365.430 0.188 20 0 FCADHO CC1(C)CC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496217 1206438072 /nfs/dbraw/zinc/43/80/72/1206438072.db2.gz ZVLVHDQSYJZCHT-CABCVRRESA-N 1 3 366.506 0.391 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182683922 1206441993 /nfs/dbraw/zinc/44/19/93/1206441993.db2.gz GGOIRRJYGOPLAM-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182683922 1206441996 /nfs/dbraw/zinc/44/19/96/1206441996.db2.gz GGOIRRJYGOPLAM-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1ncc(F)cn1 ZINC001220598723 1224958953 /nfs/dbraw/zinc/95/89/53/1224958953.db2.gz AZAJKANHAHVODY-XBFCOCLRSA-N 1 3 366.441 0.240 20 0 FCADHO CN(CCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405169 1207454742 /nfs/dbraw/zinc/45/47/42/1207454742.db2.gz CFWMDUFUFCMSRP-USXIJHARSA-N 1 3 357.458 0.329 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCCO[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001196636936 1208098777 /nfs/dbraw/zinc/09/87/77/1208098777.db2.gz GGNJEHWOUNRTLZ-RCCFBDPRSA-N 1 3 369.506 0.075 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199024017 1208310384 /nfs/dbraw/zinc/31/03/84/1208310384.db2.gz XMYJSYNKECYPDQ-CEXWTWQISA-N 1 3 367.534 0.965 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199071271 1208316483 /nfs/dbraw/zinc/31/64/83/1208316483.db2.gz QZFZFXWPFBYRSX-GUDVDZBRSA-N 1 3 367.534 0.965 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O ZINC001220768650 1225063435 /nfs/dbraw/zinc/06/34/35/1225063435.db2.gz WXKOTDFYJPOHRH-MSOLQXFVSA-N 1 3 371.522 0.323 20 0 FCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574429 1208479585 /nfs/dbraw/zinc/47/95/85/1208479585.db2.gz MZGZUURWSDSGOF-IDCNUPLLSA-N 1 3 363.506 0.941 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790572 1225075597 /nfs/dbraw/zinc/07/55/97/1225075597.db2.gz SHADHBCAMZCMLU-HJWJTTGWSA-N 1 3 361.490 0.727 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207289 1208671793 /nfs/dbraw/zinc/67/17/93/1208671793.db2.gz UCLKNKCEHRJHJI-FGTMMUONSA-N 1 3 363.506 0.366 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207289 1208671795 /nfs/dbraw/zinc/67/17/95/1208671795.db2.gz UCLKNKCEHRJHJI-FGTMMUONSA-N 1 3 363.506 0.366 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000850833577 1209491716 /nfs/dbraw/zinc/49/17/16/1209491716.db2.gz USPQOFBJNJHBHP-UHFFFAOYSA-N 1 3 361.490 0.963 20 0 FCADHO Cc1cc2c(cn1)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001220960499 1225160337 /nfs/dbraw/zinc/16/03/37/1225160337.db2.gz QHLXVKZBVLXVAB-BZSNNMDCSA-N 1 3 373.501 0.941 20 0 FCADHO O=C(NC1CN(c2ncnc3ccccc32)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220985311 1225174129 /nfs/dbraw/zinc/17/41/29/1225174129.db2.gz QYJYRIMBYUCCFA-BFUOFWGJSA-N 1 3 352.442 0.134 20 0 FCADHO COc1ccnc(C2(CNC(=O)[C@@H]3C[NH2+]CC34CNC4)CCOCC2)c1 ZINC001220990706 1225177690 /nfs/dbraw/zinc/17/76/90/1225177690.db2.gz VYEIXXFFWHRLCC-HNNXBMFYSA-N 1 3 360.458 0.064 20 0 FCADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000868309772 1210050835 /nfs/dbraw/zinc/05/08/35/1210050835.db2.gz MGCZWXHQGKWQSF-OAHLLOKOSA-N 1 3 373.501 0.883 20 0 FCADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254700 1210182657 /nfs/dbraw/zinc/18/26/57/1210182657.db2.gz BYRXHTNYOLJJPJ-JFRXWTBNSA-N 1 3 367.534 0.941 20 0 FCADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)C1 ZINC000872254700 1210182662 /nfs/dbraw/zinc/18/26/62/1210182662.db2.gz BYRXHTNYOLJJPJ-JFRXWTBNSA-N 1 3 367.534 0.941 20 0 FCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000876881287 1210432632 /nfs/dbraw/zinc/43/26/32/1210432632.db2.gz XIBQNEGISYXLIO-KRWDZBQOSA-N 1 3 362.522 0.826 20 0 FCADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)N1CCCNCC1 ZINC000883603656 1210672796 /nfs/dbraw/zinc/67/27/96/1210672796.db2.gz AMGZPMCYEDQIFO-GOSISDBHSA-N 1 3 371.485 0.731 20 0 FCADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)N1CCCNCC1 ZINC000883603656 1210672798 /nfs/dbraw/zinc/67/27/98/1210672798.db2.gz AMGZPMCYEDQIFO-GOSISDBHSA-N 1 3 371.485 0.731 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)C[C@H]3CCCO3)CC2)CC1 ZINC000884124310 1210716187 /nfs/dbraw/zinc/71/61/87/1210716187.db2.gz UGAHQUNPFJRTBF-SJLPKXTDSA-N 1 3 368.522 0.774 20 0 FCADHO C[NH2+]CCOc1ccccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884211020 1210723522 /nfs/dbraw/zinc/72/35/22/1210723522.db2.gz QJAXCOAWCUHNLC-UHFFFAOYSA-N 1 3 374.485 0.665 20 0 FCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000884646793 1210772028 /nfs/dbraw/zinc/77/20/28/1210772028.db2.gz GOZRXEMQEATJMB-YOEHRIQHSA-N 1 3 374.485 0.208 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000884646790 1210772143 /nfs/dbraw/zinc/77/21/43/1210772143.db2.gz GOZRXEMQEATJMB-PBHICJAKSA-N 1 3 374.485 0.208 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706221 1210785073 /nfs/dbraw/zinc/78/50/73/1210785073.db2.gz VVVZVTCTLAXXIG-GJZGRUSLSA-N 1 3 366.506 0.693 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885157374 1210813534 /nfs/dbraw/zinc/81/35/34/1210813534.db2.gz LGKWAJKDOZZLAO-GOSISDBHSA-N 1 3 358.486 0.617 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885280743 1210817150 /nfs/dbraw/zinc/81/71/50/1210817150.db2.gz SOVYNBGZDFIEOG-ZDUSSCGKSA-N 1 3 372.416 0.531 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2CC1 ZINC001274408073 1211046279 /nfs/dbraw/zinc/04/62/79/1211046279.db2.gz JEYIDIFEEMEEOU-CALCHBBNSA-N 1 3 362.518 0.873 20 0 FCADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068637 1211173555 /nfs/dbraw/zinc/17/35/55/1211173555.db2.gz JTKWMASBEHORPG-ICSRJNTNSA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068637 1211173556 /nfs/dbraw/zinc/17/35/56/1211173556.db2.gz JTKWMASBEHORPG-ICSRJNTNSA-N 1 3 366.550 0.973 20 0 FCADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275093053 1211175331 /nfs/dbraw/zinc/17/53/31/1211175331.db2.gz IIRCAXVZFNQITK-FQEVSTJZSA-N 1 3 366.550 0.973 20 0 FCADHO CC(C)CC[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275093053 1211175332 /nfs/dbraw/zinc/17/53/32/1211175332.db2.gz IIRCAXVZFNQITK-FQEVSTJZSA-N 1 3 366.550 0.973 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803948 1211286736 /nfs/dbraw/zinc/28/67/36/1211286736.db2.gz NXCIHFHXURRZBT-UYAOXDASSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@H]4CCCO4)C3)C2=O)CC1 ZINC001275803948 1211286739 /nfs/dbraw/zinc/28/67/39/1211286739.db2.gz NXCIHFHXURRZBT-UYAOXDASSA-N 1 3 364.534 0.727 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000363477414 1211294550 /nfs/dbraw/zinc/29/45/50/1211294550.db2.gz VUJQKPVOWKLLMA-IRXDYDNUSA-N 1 3 363.506 0.563 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000363477414 1211294553 /nfs/dbraw/zinc/29/45/53/1211294553.db2.gz VUJQKPVOWKLLMA-IRXDYDNUSA-N 1 3 363.506 0.563 20 0 FCADHO COC(CN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881221 1211305453 /nfs/dbraw/zinc/30/54/53/1211305453.db2.gz XZUDRQXUFSCSLZ-BEFAXECRSA-N 1 3 367.490 0.788 20 0 FCADHO COC(CN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881221 1211305455 /nfs/dbraw/zinc/30/54/55/1211305455.db2.gz XZUDRQXUFSCSLZ-BEFAXECRSA-N 1 3 367.490 0.788 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894958 1211308008 /nfs/dbraw/zinc/30/80/08/1211308008.db2.gz COFGCGBREAJYTA-FQEVSTJZSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894958 1211308010 /nfs/dbraw/zinc/30/80/10/1211308010.db2.gz COFGCGBREAJYTA-FQEVSTJZSA-N 1 3 364.534 0.727 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3[nH]nc4ccccc43)C2)OCC1=O ZINC001275926980 1211311091 /nfs/dbraw/zinc/31/10/91/1211311091.db2.gz ONZHOIMVKCZEQD-LJQANCHMSA-N 1 3 357.458 0.928 20 0 FCADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C[C@@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820138 1225282630 /nfs/dbraw/zinc/28/26/30/1225282630.db2.gz YTKFXLGRSZNIPX-HUUCEWRRSA-N 1 3 369.506 0.469 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592026 1211438583 /nfs/dbraw/zinc/43/85/83/1211438583.db2.gz BOKGIJDNSIRDHU-BEFAXECRSA-N 1 3 361.490 0.973 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592026 1211438584 /nfs/dbraw/zinc/43/85/84/1211438584.db2.gz BOKGIJDNSIRDHU-BEFAXECRSA-N 1 3 361.490 0.973 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592029 1211438686 /nfs/dbraw/zinc/43/86/86/1211438686.db2.gz BOKGIJDNSIRDHU-HNAYVOBHSA-N 1 3 361.490 0.973 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592029 1211438688 /nfs/dbraw/zinc/43/86/88/1211438688.db2.gz BOKGIJDNSIRDHU-HNAYVOBHSA-N 1 3 361.490 0.973 20 0 FCADHO COc1ccccc1[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1nnc(C)o1 ZINC001221335883 1225299813 /nfs/dbraw/zinc/29/98/13/1225299813.db2.gz IAGHSUOZZYLIPM-ZFWWWQNUSA-N 1 3 357.414 0.401 20 0 FCADHO O=C1NC[C@H](O)CC12CCN(C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831165 1211824342 /nfs/dbraw/zinc/82/43/42/1211824342.db2.gz HSPVHMPKFJTKIF-WIYYLYMNSA-N 1 3 373.497 0.586 20 0 FCADHO O=C1NC[C@H](O)CC12CCN(C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831165 1211824345 /nfs/dbraw/zinc/82/43/45/1211824345.db2.gz HSPVHMPKFJTKIF-WIYYLYMNSA-N 1 3 373.497 0.586 20 0 FCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123805 1211892060 /nfs/dbraw/zinc/89/20/60/1211892060.db2.gz KFIMEINOTUQRHP-HPBDAGMYSA-N 1 3 363.506 0.941 20 0 FCADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1O ZINC000968617363 1212048861 /nfs/dbraw/zinc/04/88/61/1212048861.db2.gz VRQNJOWGTKWYDF-IKGGRYGDSA-N 1 3 371.441 0.120 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274883 1212193538 /nfs/dbraw/zinc/19/35/38/1212193538.db2.gz MEBCHWNGPYJGJP-TVFCKZIOSA-N 1 3 366.506 0.202 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274883 1212193544 /nfs/dbraw/zinc/19/35/44/1212193544.db2.gz MEBCHWNGPYJGJP-TVFCKZIOSA-N 1 3 366.506 0.202 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949887509 1212480887 /nfs/dbraw/zinc/48/08/87/1212480887.db2.gz XQGFFGDXAPULMX-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298500 1212493446 /nfs/dbraw/zinc/49/34/46/1212493446.db2.gz AERFARSHGUNZRG-TVFCKZIOSA-N 1 3 371.522 0.464 20 0 FCADHO CC(C)[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824109 1225417344 /nfs/dbraw/zinc/41/73/44/1225417344.db2.gz LQRGBHFUVVUJJY-UYAOXDASSA-N 1 3 366.550 0.708 20 0 FCADHO CC(C)[C@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824109 1225417346 /nfs/dbraw/zinc/41/73/46/1225417346.db2.gz LQRGBHFUVVUJJY-UYAOXDASSA-N 1 3 366.550 0.708 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957083253 1213247927 /nfs/dbraw/zinc/24/79/27/1213247927.db2.gz RHIRIHURQGMDJJ-BRWVUGGUSA-N 1 3 362.518 0.918 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001221772294 1225475868 /nfs/dbraw/zinc/47/58/68/1225475868.db2.gz SMKZISMCCVDRFD-IAGOWNOFSA-N 1 3 362.518 0.873 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC001221791324 1225482720 /nfs/dbraw/zinc/48/27/20/1225482720.db2.gz GDQITUAFZGMSPR-JFIYKMOQSA-N 1 3 369.506 0.027 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376185 1214323774 /nfs/dbraw/zinc/32/37/74/1214323774.db2.gz ZVEOLEILLIVFAL-FQEVSTJZSA-N 1 3 366.550 0.973 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376185 1214323783 /nfs/dbraw/zinc/32/37/83/1214323783.db2.gz ZVEOLEILLIVFAL-FQEVSTJZSA-N 1 3 366.550 0.973 20 0 FCADHO CCN(CC)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967944 1215930390 /nfs/dbraw/zinc/93/03/90/1215930390.db2.gz WHDVKSNVUAISGL-GPMSIDNRSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967944 1215930397 /nfs/dbraw/zinc/93/03/97/1215930397.db2.gz WHDVKSNVUAISGL-GPMSIDNRSA-N 1 3 368.522 0.138 20 0 FCADHO CN1CCN(c2ccc(CN3CC[NH2+]C[C@@]4(CCCCN4)C3)cn2)CC1 ZINC001222684139 1225646234 /nfs/dbraw/zinc/64/62/34/1225646234.db2.gz CODMYJRNPJQAEE-FQEVSTJZSA-N 1 3 358.534 0.751 20 0 FCADHO CN1CCN(c2ccc(CN3CCNC[C@@]4(CCCC[NH2+]4)C3)cn2)CC1 ZINC001222684139 1225646235 /nfs/dbraw/zinc/64/62/35/1225646235.db2.gz CODMYJRNPJQAEE-FQEVSTJZSA-N 1 3 358.534 0.751 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001001417331 1216191991 /nfs/dbraw/zinc/19/19/91/1216191991.db2.gz AGNDWGPNEKPFTN-GDBMZVCRSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001001417331 1216192010 /nfs/dbraw/zinc/19/20/10/1216192010.db2.gz AGNDWGPNEKPFTN-GDBMZVCRSA-N 1 3 364.490 0.304 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001050523685 1216330954 /nfs/dbraw/zinc/33/09/54/1216330954.db2.gz GKTRPYJHRMXADX-BBWFWOEESA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001050523685 1216330961 /nfs/dbraw/zinc/33/09/61/1216330961.db2.gz GKTRPYJHRMXADX-BBWFWOEESA-N 1 3 362.518 0.920 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738641 1216529514 /nfs/dbraw/zinc/52/95/14/1216529514.db2.gz DPYQHTHSXVSXAJ-BRWVUGGUSA-N 1 3 368.522 0.138 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057738641 1216529519 /nfs/dbraw/zinc/52/95/19/1216529519.db2.gz DPYQHTHSXVSXAJ-BRWVUGGUSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827706338 1216642760 /nfs/dbraw/zinc/64/27/60/1216642760.db2.gz LMIUJXFLOJLZKT-ULQDDVLXSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827706338 1216642772 /nfs/dbraw/zinc/64/27/72/1216642772.db2.gz LMIUJXFLOJLZKT-ULQDDVLXSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961146 1225771290 /nfs/dbraw/zinc/77/12/90/1225771290.db2.gz ZJZFRSLROQJCEQ-ICSRJNTNSA-N 1 3 366.550 0.709 20 0 FCADHO C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961146 1225771292 /nfs/dbraw/zinc/77/12/92/1225771292.db2.gz ZJZFRSLROQJCEQ-ICSRJNTNSA-N 1 3 366.550 0.709 20 0 FCADHO CN(C)CC(=O)N1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900172210 1217966116 /nfs/dbraw/zinc/96/61/16/1217966116.db2.gz XYKLWQWKROCQBP-UHFFFAOYSA-N 1 3 366.506 0.110 20 0 FCADHO C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900800075 1218038510 /nfs/dbraw/zinc/03/85/10/1218038510.db2.gz BBRPYOCJVNGTAH-DOTOQJQBSA-N 1 3 360.506 0.198 20 0 FCADHO C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900800075 1218038515 /nfs/dbraw/zinc/03/85/15/1218038515.db2.gz BBRPYOCJVNGTAH-DOTOQJQBSA-N 1 3 360.506 0.198 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)CC[N@@H+]1C ZINC001048827792 1218323280 /nfs/dbraw/zinc/32/32/80/1218323280.db2.gz GUGFDPZGQSKTKF-XWTMOSNGSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(CC(=O)N4CCCC4)C[C@H]3C2)CC[N@H+]1C ZINC001048827792 1218323286 /nfs/dbraw/zinc/32/32/86/1218323286.db2.gz GUGFDPZGQSKTKF-XWTMOSNGSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(C)CC1 ZINC000803541324 1218428504 /nfs/dbraw/zinc/42/85/04/1218428504.db2.gz NCJNIGWCZKTFCE-ZACQAIPSSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(C)CC1 ZINC000803541324 1218428513 /nfs/dbraw/zinc/42/85/13/1218428513.db2.gz NCJNIGWCZKTFCE-ZACQAIPSSA-N 1 3 366.506 0.202 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800398 1225854496 /nfs/dbraw/zinc/85/44/96/1225854496.db2.gz KKUJOYDOCNVDDC-IIAWOOMASA-N 1 3 367.494 0.189 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)C1CCC1 ZINC001226824018 1225855231 /nfs/dbraw/zinc/85/52/31/1225855231.db2.gz IKLMYTORIQVRGJ-IAGOWNOFSA-N 1 3 366.506 0.347 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001227150459 1225864864 /nfs/dbraw/zinc/86/48/64/1225864864.db2.gz RQBCLOPKGLKFRI-MGPQQGTHSA-N 1 3 369.510 0.578 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804051104 1219104031 /nfs/dbraw/zinc/10/40/31/1219104031.db2.gz NEDUCXRAWAHLAT-TWMKSMIVSA-N 1 3 364.490 0.051 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804051104 1219104033 /nfs/dbraw/zinc/10/40/33/1219104033.db2.gz NEDUCXRAWAHLAT-TWMKSMIVSA-N 1 3 364.490 0.051 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804051826 1219104551 /nfs/dbraw/zinc/10/45/51/1219104551.db2.gz VUVNAEAGPCRINK-IKGGRYGDSA-N 1 3 366.506 0.060 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804051826 1219104557 /nfs/dbraw/zinc/10/45/57/1219104557.db2.gz VUVNAEAGPCRINK-IKGGRYGDSA-N 1 3 366.506 0.060 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804055943 1219109329 /nfs/dbraw/zinc/10/93/29/1219109329.db2.gz PTHGOYWYVLQNDW-IRXDYDNUSA-N 1 3 366.506 0.299 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000804060992 1219114764 /nfs/dbraw/zinc/11/47/64/1219114764.db2.gz QWDYKISQIJEUOX-YESZJQIVSA-N 1 3 364.490 0.053 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061662 1219117027 /nfs/dbraw/zinc/11/70/27/1219117027.db2.gz WBENAPOVEMYVES-OAGGEKHMSA-N 1 3 366.506 0.202 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061662 1219117032 /nfs/dbraw/zinc/11/70/32/1219117032.db2.gz WBENAPOVEMYVES-OAGGEKHMSA-N 1 3 366.506 0.202 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCCC1 ZINC001227742692 1225883586 /nfs/dbraw/zinc/88/35/86/1225883586.db2.gz UBWIOBNQQNRDHR-ZIAGYGMSSA-N 1 3 367.494 0.463 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[n-]1 ZINC001070354486 1219390555 /nfs/dbraw/zinc/39/05/55/1219390555.db2.gz LRTYXOPFHXJALT-KKUMJFAQSA-N 1 3 364.494 0.776 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[n-]1 ZINC001070354486 1219390558 /nfs/dbraw/zinc/39/05/58/1219390558.db2.gz LRTYXOPFHXJALT-KKUMJFAQSA-N 1 3 364.494 0.776 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534640 1219457565 /nfs/dbraw/zinc/45/75/65/1219457565.db2.gz FVKYYGDDLAKMKU-YQQAZPJKSA-N 1 3 363.506 0.417 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2NCc2cncn2C)c1 ZINC001070564098 1219471568 /nfs/dbraw/zinc/47/15/68/1219471568.db2.gz VBRXHVWEWZYEMR-QILLFSRXSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cncn2C)c1 ZINC001070564098 1219471570 /nfs/dbraw/zinc/47/15/70/1219471570.db2.gz VBRXHVWEWZYEMR-QILLFSRXSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070694766 1219529130 /nfs/dbraw/zinc/52/91/30/1219529130.db2.gz AHDYKJZNKWBJSY-HZPDHXFCSA-N 1 3 368.445 0.167 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239768 1225905103 /nfs/dbraw/zinc/90/51/03/1225905103.db2.gz YUWLCKZMSZFSOJ-ZIAGYGMSSA-N 1 3 367.494 0.191 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074618016 1219704731 /nfs/dbraw/zinc/70/47/31/1219704731.db2.gz REQBYYRYAIZEKP-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074618016 1219704736 /nfs/dbraw/zinc/70/47/36/1219704736.db2.gz REQBYYRYAIZEKP-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)C2CC[NH+](C)CC2)C3)nn1 ZINC001099489459 1220013047 /nfs/dbraw/zinc/01/30/47/1220013047.db2.gz YZVOIERYOTYWDP-LPHOPBHVSA-N 1 3 360.506 0.875 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101353195 1220298500 /nfs/dbraw/zinc/29/85/00/1220298500.db2.gz VPKUJIZTKMBKLF-HLIPFELVSA-N 1 3 364.534 0.879 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368739 1220304894 /nfs/dbraw/zinc/30/48/94/1220304894.db2.gz KNWIJYULBBTXKI-GUXCAODWSA-N 1 3 364.534 0.975 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368739 1220304897 /nfs/dbraw/zinc/30/48/97/1220304897.db2.gz KNWIJYULBBTXKI-GUXCAODWSA-N 1 3 364.534 0.975 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101443486 1220347687 /nfs/dbraw/zinc/34/76/87/1220347687.db2.gz HEZGWDMZPBBCPM-APWZRJJASA-N 1 3 367.538 0.816 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101443486 1220347689 /nfs/dbraw/zinc/34/76/89/1220347689.db2.gz HEZGWDMZPBBCPM-APWZRJJASA-N 1 3 367.538 0.816 20 0 FCADHO C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051612 1220479453 /nfs/dbraw/zinc/47/94/53/1220479453.db2.gz ALKGUVPWQHHQGZ-INMHGKMJSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051612 1220479456 /nfs/dbraw/zinc/47/94/56/1220479456.db2.gz ALKGUVPWQHHQGZ-INMHGKMJSA-N 1 3 360.506 0.934 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102100986 1220495474 /nfs/dbraw/zinc/49/54/74/1220495474.db2.gz HFQPHNMZXVATIE-HUUCEWRRSA-N 1 3 366.506 0.550 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102100986 1220495477 /nfs/dbraw/zinc/49/54/77/1220495477.db2.gz HFQPHNMZXVATIE-HUUCEWRRSA-N 1 3 366.506 0.550 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108314 1220499751 /nfs/dbraw/zinc/49/97/51/1220499751.db2.gz GUBJQHMMFRTDEN-HZPDHXFCSA-N 1 3 361.490 0.680 20 0 FCADHO C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514060 1220673115 /nfs/dbraw/zinc/67/31/15/1220673115.db2.gz LFYAADIJDNXEQH-OWCLPIDISA-N 1 3 370.538 0.552 20 0 FCADHO CC(C)N1CC[C@@H](N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102514362 1220673867 /nfs/dbraw/zinc/67/38/67/1220673867.db2.gz UXMCVMZBBCOIKU-BRWVUGGUSA-N 1 3 368.522 0.258 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102781990 1220782713 /nfs/dbraw/zinc/78/27/13/1220782713.db2.gz FXDPCUJLWFUVHG-ZACQAIPSSA-N 1 3 366.506 0.014 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102781990 1220782716 /nfs/dbraw/zinc/78/27/16/1220782716.db2.gz FXDPCUJLWFUVHG-ZACQAIPSSA-N 1 3 366.506 0.014 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398443 1220877225 /nfs/dbraw/zinc/87/72/25/1220877225.db2.gz SLIFIHCBZYTCBK-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103434336 1220882388 /nfs/dbraw/zinc/88/23/88/1220882388.db2.gz ZOCBSAYQWQVMMM-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103434336 1220882389 /nfs/dbraw/zinc/88/23/89/1220882389.db2.gz ZOCBSAYQWQVMMM-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103550326 1220899357 /nfs/dbraw/zinc/89/93/57/1220899357.db2.gz KNLTYSAYLMLIFJ-HZPDHXFCSA-N 1 3 366.506 0.551 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103550326 1220899359 /nfs/dbraw/zinc/89/93/59/1220899359.db2.gz KNLTYSAYLMLIFJ-HZPDHXFCSA-N 1 3 366.506 0.551 20 0 FCADHO CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642252 1220925673 /nfs/dbraw/zinc/92/56/73/1220925673.db2.gz WQKWDIYUQBHRPN-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755565 1220966089 /nfs/dbraw/zinc/96/60/89/1220966089.db2.gz LLQGUSFFRWRHSA-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755565 1220966097 /nfs/dbraw/zinc/96/60/97/1220966097.db2.gz LLQGUSFFRWRHSA-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C1CC1 ZINC001112399321 1221252540 /nfs/dbraw/zinc/25/25/40/1221252540.db2.gz NIUPOYHVGQTKRP-LNLFQRSKSA-N 1 3 360.506 0.837 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001116653096 1221376746 /nfs/dbraw/zinc/37/67/46/1221376746.db2.gz YEIINBBBLMTVCE-IBGZPJMESA-N 1 3 367.582 0.399 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001229868940 1226038523 /nfs/dbraw/zinc/03/85/23/1226038523.db2.gz QJOXTOWNPXYZER-GVDBMIGSSA-N 1 3 368.522 0.329 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117311819 1221514652 /nfs/dbraw/zinc/51/46/52/1221514652.db2.gz OXONFOVVFRGRHW-DLBZAZTESA-N 1 3 367.538 0.119 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001117604198 1221587523 /nfs/dbraw/zinc/58/75/23/1221587523.db2.gz OSSRLYHWKXHNAP-GUDVDZBRSA-N 1 3 372.513 0.640 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119352395 1221903936 /nfs/dbraw/zinc/90/39/36/1221903936.db2.gz MBGRYUNJEFNYTB-DOTOQJQBSA-N 1 3 361.490 0.748 20 0 FCADHO Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC001230858817 1226090260 /nfs/dbraw/zinc/09/02/60/1226090260.db2.gz NNZSTHZRHJJPFM-AEGPPILISA-N 1 3 368.482 0.779 20 0 FCADHO Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC001230858817 1226090266 /nfs/dbraw/zinc/09/02/66/1226090266.db2.gz NNZSTHZRHJJPFM-AEGPPILISA-N 1 3 368.482 0.779 20 0 FCADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)c2)CC1 ZINC001120376895 1222074505 /nfs/dbraw/zinc/07/45/05/1222074505.db2.gz NQNCBLWCBVVOFD-VQTJNVASSA-N 1 3 363.502 0.426 20 0 FCADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H]3C2)cc1 ZINC001231767491 1226124235 /nfs/dbraw/zinc/12/42/35/1226124235.db2.gz IQRSVLDFWNCYDW-HDICACEKSA-N 1 3 368.481 0.956 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 ZINC000829214449 1222430887 /nfs/dbraw/zinc/43/08/87/1222430887.db2.gz BVPKGDUTTOLWDY-UHFFFAOYSA-N 1 3 366.506 0.430 20 0 FCADHO Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H]3C2)cc1 ZINC001231767491 1226124229 /nfs/dbraw/zinc/12/42/29/1226124229.db2.gz IQRSVLDFWNCYDW-HDICACEKSA-N 1 3 368.481 0.956 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000838302256 1222677131 /nfs/dbraw/zinc/67/71/31/1222677131.db2.gz OKINPPJLVGADEY-IRXDYDNUSA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000838302256 1222677132 /nfs/dbraw/zinc/67/71/32/1222677132.db2.gz OKINPPJLVGADEY-IRXDYDNUSA-N 1 3 367.538 0.565 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1[nH]nc3c1CCC3)CC2 ZINC001232427635 1226151904 /nfs/dbraw/zinc/15/19/04/1226151904.db2.gz RYYKLKUOUBCBSL-UHFFFAOYSA-N 1 3 374.533 0.569 20 0 FCADHO O=C1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738823 1222801821 /nfs/dbraw/zinc/80/18/21/1222801821.db2.gz IUHBIFZVUPNOGH-KSZLIROESA-N 1 3 357.454 0.560 20 0 FCADHO O=C1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C(=O)N1CCCO ZINC000840738823 1222801822 /nfs/dbraw/zinc/80/18/22/1222801822.db2.gz IUHBIFZVUPNOGH-KSZLIROESA-N 1 3 357.454 0.560 20 0 FCADHO NC(=O)COc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000843057867 1222858122 /nfs/dbraw/zinc/85/81/22/1222858122.db2.gz NAALLSBNBJYCAJ-SJLPKXTDSA-N 1 3 374.485 0.631 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354334 1222872948 /nfs/dbraw/zinc/87/29/48/1222872948.db2.gz ZCCHPXFJMZLRAS-UONOGXRCSA-N 1 3 365.478 0.722 20 0 FCADHO CCOC(=O)c1cnc(N2CCOCC2)nc1NC(=N)NCCCC[NH3+] ZINC001157099688 1223067751 /nfs/dbraw/zinc/06/77/51/1223067751.db2.gz SUBCIIRSRWPARS-UHFFFAOYSA-N 1 3 365.438 0.165 20 0 FCADHO [NH3+]CCCC[C@H](NC(=O)c1ccc2c(n1)CCNC2)C(=O)N1CCCC1 ZINC001157404271 1223076338 /nfs/dbraw/zinc/07/63/38/1223076338.db2.gz OENPTYHAWJWXLS-KRWDZBQOSA-N 1 3 359.474 0.577 20 0 FCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)CC1 ZINC001157449124 1223076674 /nfs/dbraw/zinc/07/66/74/1223076674.db2.gz SETOVDHWRTVYGJ-KBPBESRZSA-N 1 3 370.494 0.138 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1 ZINC001157721466 1223081132 /nfs/dbraw/zinc/08/11/32/1223081132.db2.gz YAJPZUHQICZTQI-JTDSTZFVSA-N 1 3 372.469 0.954 20 0 FCADHO C[NH+]1CCC(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)CC1 ZINC001157841623 1223082720 /nfs/dbraw/zinc/08/27/20/1223082720.db2.gz GZRLQDXFYIENGZ-UHFFFAOYSA-N 1 3 360.506 0.777 20 0 FCADHO Cc1ccc(C[C@H](N)C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)c(C)c1 ZINC001158111059 1223089278 /nfs/dbraw/zinc/08/92/78/1223089278.db2.gz JVZPAJYQTGGSJQ-JXFKEZNVSA-N 1 3 356.470 0.111 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319557 1223094418 /nfs/dbraw/zinc/09/44/18/1223094418.db2.gz IEXNKNDRBDEYPR-IAGOWNOFSA-N 1 3 354.454 0.900 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319557 1223094420 /nfs/dbraw/zinc/09/44/20/1223094420.db2.gz IEXNKNDRBDEYPR-IAGOWNOFSA-N 1 3 354.454 0.900 20 0 FCADHO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335554 1223095065 /nfs/dbraw/zinc/09/50/65/1223095065.db2.gz BTBXIUGUQFBZHC-OKYOBFRVSA-N 1 3 368.481 0.827 20 0 FCADHO Cc1nn(C)c(C)c1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380091 1223096008 /nfs/dbraw/zinc/09/60/08/1223096008.db2.gz LYYKKUCZQPAJSL-UKRRQHHQSA-N 1 3 364.494 0.412 20 0 FCADHO Cc1nn(C)c(C)c1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380091 1223096012 /nfs/dbraw/zinc/09/60/12/1223096012.db2.gz LYYKKUCZQPAJSL-UKRRQHHQSA-N 1 3 364.494 0.412 20 0 FCADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158791539 1223109285 /nfs/dbraw/zinc/10/92/85/1223109285.db2.gz XBAUTDKPXRMFRV-ZIAGYGMSSA-N 1 3 362.478 0.244 20 0 FCADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158791539 1223109288 /nfs/dbraw/zinc/10/92/88/1223109288.db2.gz XBAUTDKPXRMFRV-ZIAGYGMSSA-N 1 3 362.478 0.244 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CC2 ZINC001158891177 1223111965 /nfs/dbraw/zinc/11/19/65/1223111965.db2.gz VLLREQSGNDRSBR-DQPZFDDXSA-N 1 3 366.506 0.068 20 0 FCADHO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@@H]21 ZINC001159048515 1223116077 /nfs/dbraw/zinc/11/60/77/1223116077.db2.gz SXNIGBRRZCDNHF-WCXIOVBPSA-N 1 3 368.522 0.387 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159192480 1223120272 /nfs/dbraw/zinc/12/02/72/1223120272.db2.gz SVGRJKCSNZYEKZ-WBVHZDCISA-N 1 3 359.474 0.077 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159330216 1223124681 /nfs/dbraw/zinc/12/46/81/1223124681.db2.gz PTRSWQUUIVTIJL-ZFWWWQNUSA-N 1 3 366.437 0.816 20 0 FCADHO O=C(N1CCCn2cnc(CNC3CCC3)c2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159548410 1223129297 /nfs/dbraw/zinc/12/92/97/1223129297.db2.gz ADBTZUIPKAZSKM-LIRRHRJNSA-N 1 3 358.490 0.209 20 0 FCADHO C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159608179 1223131385 /nfs/dbraw/zinc/13/13/85/1223131385.db2.gz GJOAKUFOYFZCJM-JSGCOSHPSA-N 1 3 362.478 0.375 20 0 FCADHO CN(Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001159898525 1223139174 /nfs/dbraw/zinc/13/91/74/1223139174.db2.gz OBHVSQZZFUYJEB-APWZRJJASA-N 1 3 369.469 0.881 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160229839 1223150812 /nfs/dbraw/zinc/15/08/12/1223150812.db2.gz DEPKVUOSZRWESC-CZUORRHYSA-N 1 3 368.432 0.607 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160443695 1223159627 /nfs/dbraw/zinc/15/96/27/1223159627.db2.gz KWCJLORURXAKIU-INIZCTEOSA-N 1 3 354.454 0.376 20 0 FCADHO COC(=O)c1ccc(CN2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)CC2)cc1 ZINC001160568903 1223164541 /nfs/dbraw/zinc/16/45/41/1223164541.db2.gz JRWXKQXJPGUPFG-SFHVURJKSA-N 1 3 374.485 0.444 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160629286 1223166401 /nfs/dbraw/zinc/16/64/01/1223166401.db2.gz NCJULEXCOCZVHR-HNNXBMFYSA-N 1 3 360.437 0.807 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3(N)Cc4ccccc4C3)C[C@H]1C2 ZINC001160791745 1223172336 /nfs/dbraw/zinc/17/23/36/1223172336.db2.gz AYYUFIVNXSKPGN-YZLZLFLDSA-N 1 3 369.465 0.340 20 0 FCADHO COCCOc1cccc(N2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)c1 ZINC001160943067 1223181017 /nfs/dbraw/zinc/18/10/17/1223181017.db2.gz HFOBRYWXBUSJFJ-SFHVURJKSA-N 1 3 364.490 0.817 20 0 FCADHO CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)CC2)CC1 ZINC001161046669 1223184539 /nfs/dbraw/zinc/18/45/39/1223184539.db2.gz PCWHMYLJVBGZKV-SFHVURJKSA-N 1 3 364.534 0.677 20 0 FCADHO COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@@H]1c1ccc(F)cc1 ZINC001161085118 1223184763 /nfs/dbraw/zinc/18/47/63/1223184763.db2.gz NPMRGJXTLIHGKP-OWCLPIDISA-N 1 3 361.417 0.350 20 0 FCADHO CC1(C)N(C(=O)[C@H]2C[NH2+]CC23CNC3)CC[C@@]12c1ccccc1OC2=O ZINC001161160876 1223187905 /nfs/dbraw/zinc/18/79/05/1223187905.db2.gz IKFOEJIIIMXOGJ-VLIAUNLRSA-N 1 3 355.438 0.663 20 0 FCADHO O=C([C@@H]1CNCc2ccnn2C1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271239 1223193502 /nfs/dbraw/zinc/19/35/02/1223193502.db2.gz YQLBKSYYEGIGFG-SJORKVTESA-N 1 3 354.458 0.778 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1=O ZINC001161273699 1223193571 /nfs/dbraw/zinc/19/35/71/1223193571.db2.gz FYNSWARKSGKMPS-IRXDYDNUSA-N 1 3 359.474 0.502 20 0 FCADHO O=C([C@H]1CNCc2ccnn2C1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271238 1223193645 /nfs/dbraw/zinc/19/36/45/1223193645.db2.gz YQLBKSYYEGIGFG-IRXDYDNUSA-N 1 3 354.458 0.778 20 0 FCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1-n1cnc(C[NH3+])c1 ZINC001162296868 1223213509 /nfs/dbraw/zinc/21/35/09/1223213509.db2.gz OLWVEWWGWQAYJK-CYBMUJFWSA-N 1 3 361.446 0.832 20 0 FCADHO COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1cnc(CN)c1 ZINC001162296868 1223213513 /nfs/dbraw/zinc/21/35/13/1223213513.db2.gz OLWVEWWGWQAYJK-CYBMUJFWSA-N 1 3 361.446 0.832 20 0 FCADHO COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1cnc(CN)c1 ZINC001162296868 1223213515 /nfs/dbraw/zinc/21/35/15/1223213515.db2.gz OLWVEWWGWQAYJK-CYBMUJFWSA-N 1 3 361.446 0.832 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1)C(N)=O ZINC001205307226 1223319755 /nfs/dbraw/zinc/31/97/55/1223319755.db2.gz WGZAWGJDJAREFJ-XOKHGSTOSA-N 1 3 364.465 0.925 20 0 FCADHO Cc1ncc(C[NH+]2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1C ZINC001206793673 1223370963 /nfs/dbraw/zinc/37/09/63/1223370963.db2.gz XWWLPTWSDBNYMT-UHFFFAOYSA-N 1 3 363.506 0.731 20 0 FCADHO C[NH+]1CCC(CN2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001207396426 1223443803 /nfs/dbraw/zinc/44/38/03/1223443803.db2.gz IELZQRGCLRGZIL-SQNIBIBYSA-N 1 3 359.474 0.780 20 0 FCADHO c1cncc(CN2CCOC[C@]3(CN(CC4CC[NH2+]CC4)CCO3)C2)c1 ZINC001207437107 1223447160 /nfs/dbraw/zinc/44/71/60/1223447160.db2.gz OKTRMMDJJHHJIH-HXUWFJFHSA-N 1 3 360.502 0.984 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@H]1COC(C)(C)O1)CC2 ZINC001207926863 1223497581 /nfs/dbraw/zinc/49/75/81/1223497581.db2.gz GQJXMXDPDFLMBZ-INIZCTEOSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448277 1223546494 /nfs/dbraw/zinc/54/64/94/1223546494.db2.gz ZVIRYBVXQRWQHQ-SOLBZPMBSA-N 1 3 371.522 0.321 20 0 FCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738571 1223573746 /nfs/dbraw/zinc/57/37/46/1223573746.db2.gz FKIVNFCQWMJLAD-KZNAEPCWSA-N 1 3 371.522 0.587 20 0 FCADHO CN1CCN(c2ncc(Nc3ccnc(N4CC[NH2+]CC4)c3)cn2)CC1 ZINC001210263121 1223679675 /nfs/dbraw/zinc/67/96/75/1223679675.db2.gz ZTKPUROYOVJVGV-UHFFFAOYSA-N 1 3 354.462 0.777 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191736 1223765135 /nfs/dbraw/zinc/76/51/35/1223765135.db2.gz FMJCRTLYDUVPPX-RVKOJVRFSA-N 1 3 367.490 0.092 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191736 1223765139 /nfs/dbraw/zinc/76/51/39/1223765139.db2.gz FMJCRTLYDUVPPX-RVKOJVRFSA-N 1 3 367.490 0.092 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847628 1223947948 /nfs/dbraw/zinc/94/79/48/1223947948.db2.gz LTJXNNDWDMNQGL-ZIAGYGMSSA-N 1 3 367.494 0.143 20 0 FCADHO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847939 1223947983 /nfs/dbraw/zinc/94/79/83/1223947983.db2.gz ZLNKQKCEZSQNAM-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889130 1223952069 /nfs/dbraw/zinc/95/20/69/1223952069.db2.gz IDNZCLYKRAVBQI-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889130 1223952074 /nfs/dbraw/zinc/95/20/74/1223952074.db2.gz IDNZCLYKRAVBQI-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001215014992 1223964376 /nfs/dbraw/zinc/96/43/76/1223964376.db2.gz AGHFJQONZFBALD-HYVNUMGLSA-N 1 3 359.474 0.575 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC001215415725 1223998249 /nfs/dbraw/zinc/99/82/49/1223998249.db2.gz JUGAZRZWJAWPOM-DJIMGWMZSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001215421938 1223999018 /nfs/dbraw/zinc/99/90/18/1223999018.db2.gz RICQOXAQLCUMKF-NVXWUHKLSA-N 1 3 361.490 0.476 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215567944 1224006665 /nfs/dbraw/zinc/00/66/65/1224006665.db2.gz IDNZGDMPNXNFLP-NVXWUHKLSA-N 1 3 370.538 0.554 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001215990092 1224028815 /nfs/dbraw/zinc/02/88/15/1224028815.db2.gz SPMOUBHFRYZMER-ZIAGYGMSSA-N 1 3 367.494 0.095 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC[C@@H](C)C1 ZINC001216401922 1224048540 /nfs/dbraw/zinc/04/85/40/1224048540.db2.gz QOVWXPCOTOGSQY-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CC(C)N(C(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(C)C ZINC001216401609 1224048844 /nfs/dbraw/zinc/04/88/44/1224048844.db2.gz OANXCNPIRZWIGI-IAGOWNOFSA-N 1 3 370.538 0.647 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001216464096 1224052540 /nfs/dbraw/zinc/05/25/40/1224052540.db2.gz KWQVSWNKYKJWAZ-UKRRQHHQSA-N 1 3 367.494 0.143 20 0 FCADHO COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216458876 1224052678 /nfs/dbraw/zinc/05/26/78/1224052678.db2.gz GBAYISJAZKWOCA-IXDOHACOSA-N 1 3 370.538 0.696 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463783 1224052753 /nfs/dbraw/zinc/05/27/53/1224052753.db2.gz IQOZRJUTWWBYGC-RBSFLKMASA-N 1 3 369.510 0.389 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1noc2ccccc12 ZINC000848633560 1245376425 /nfs/dbraw/zinc/37/64/25/1245376425.db2.gz RGSKBIAALDVVEE-UHFFFAOYSA-N 1 3 361.446 0.396 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000911516867 1245503883 /nfs/dbraw/zinc/50/38/83/1245503883.db2.gz NVAPMXGBVLXDEQ-QZTJIDSGSA-N 1 3 365.437 0.471 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516490 1245504693 /nfs/dbraw/zinc/50/46/93/1245504693.db2.gz KOQNMAWJNQLFFQ-ZTFGCOKTSA-N 1 3 358.486 0.821 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516490 1245504699 /nfs/dbraw/zinc/50/46/99/1245504699.db2.gz KOQNMAWJNQLFFQ-ZTFGCOKTSA-N 1 3 358.486 0.821 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)C2)CC1 ZINC000911518223 1245505607 /nfs/dbraw/zinc/50/56/07/1245505607.db2.gz QHVIZVFVWJNXEI-QXAKKESOSA-N 1 3 370.497 0.918 20 0 FCADHO CO[C@H](C)c1noc(CN2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325226 1245708765 /nfs/dbraw/zinc/70/87/65/1245708765.db2.gz BJGIUHFPOOSNEZ-CABCVRRESA-N 1 3 365.478 0.663 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000944396019 1247548084 /nfs/dbraw/zinc/54/80/84/1247548084.db2.gz DZYJPZGQEFAMPJ-ARFHVFGLSA-N 1 3 366.506 0.155 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000944396019 1247548089 /nfs/dbraw/zinc/54/80/89/1247548089.db2.gz DZYJPZGQEFAMPJ-ARFHVFGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)CC2)CC[N@@H+]1C ZINC000944947780 1247687732 /nfs/dbraw/zinc/68/77/32/1247687732.db2.gz LXJCXTXNWHWIQX-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)CC2)CC[N@H+]1C ZINC000944947780 1247687744 /nfs/dbraw/zinc/68/77/44/1247687744.db2.gz LXJCXTXNWHWIQX-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]32)CC[N@@H+]1C ZINC000976611824 1248293363 /nfs/dbraw/zinc/29/33/63/1248293363.db2.gz UWDKXMMXHZPURI-SQZHQNNWSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@H]32)CC[N@H+]1C ZINC000976611824 1248293374 /nfs/dbraw/zinc/29/33/74/1248293374.db2.gz UWDKXMMXHZPURI-SQZHQNNWSA-N 1 3 362.518 0.774 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335285 1251319931 /nfs/dbraw/zinc/31/99/31/1251319931.db2.gz XBZOSCGKUWMIMW-IKGGRYGDSA-N 1 3 358.486 0.644 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335285 1251319936 /nfs/dbraw/zinc/31/99/36/1251319936.db2.gz XBZOSCGKUWMIMW-IKGGRYGDSA-N 1 3 358.486 0.644 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC000996543395 1251377370 /nfs/dbraw/zinc/37/73/70/1251377370.db2.gz DGMROEBKZWZCEM-MHORFTMASA-N 1 3 362.518 0.918 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CC1 ZINC000996543395 1251377378 /nfs/dbraw/zinc/37/73/78/1251377378.db2.gz DGMROEBKZWZCEM-MHORFTMASA-N 1 3 362.518 0.918 20 0 FCADHO O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001002950206 1252748328 /nfs/dbraw/zinc/74/83/28/1252748328.db2.gz WGQLBIKMRSLQME-VQHPVUNQSA-N 1 3 357.458 0.542 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004284970 1253273708 /nfs/dbraw/zinc/27/37/08/1253273708.db2.gz KTURLZZXTPJBGU-WCXIOVBPSA-N 1 3 360.502 0.957 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081173947 1256200260 /nfs/dbraw/zinc/20/02/60/1256200260.db2.gz WRHBGSGEESRNSN-FHLIZLRMSA-N 1 3 358.486 0.786 20 0 FCADHO CO[C@@H]1CN(CC2CC(C)C2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686173 1256334646 /nfs/dbraw/zinc/33/46/46/1256334646.db2.gz JDFHZCZDQZGBBR-NANBGGJNSA-N 1 3 363.506 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082520244 1256802450 /nfs/dbraw/zinc/80/24/50/1256802450.db2.gz KGBHJDNPQYDLLG-RRCSTGOVSA-N 1 3 372.473 0.299 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082520244 1256802465 /nfs/dbraw/zinc/80/24/65/1256802465.db2.gz KGBHJDNPQYDLLG-RRCSTGOVSA-N 1 3 372.473 0.299 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1N[C@@H]1CCNC1=O ZINC001082662818 1256965139 /nfs/dbraw/zinc/96/51/39/1256965139.db2.gz CFLQNGSXZLLCMS-ZTFGCOKTSA-N 1 3 358.486 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1N[C@H]1CCNC1=O ZINC001082745874 1257026317 /nfs/dbraw/zinc/02/63/17/1257026317.db2.gz VQXCLCPFTQHZAQ-FHLIZLRMSA-N 1 3 358.486 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC001082863549 1257113848 /nfs/dbraw/zinc/11/38/48/1257113848.db2.gz IMJUDPKFTXRDTD-HYVNUMGLSA-N 1 3 360.502 0.672 20 0 FCADHO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001082923676 1257148136 /nfs/dbraw/zinc/14/81/36/1257148136.db2.gz WUIXIIZDGHWOPG-IXDOHACOSA-N 1 3 363.506 0.808 20 0 FCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083864165 1257626831 /nfs/dbraw/zinc/62/68/31/1257626831.db2.gz AOEKSHRYTNDPLH-UHOSZYNNSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962034 1257753747 /nfs/dbraw/zinc/75/37/47/1257753747.db2.gz SKOJPYXSQKBVHV-LXZKKBNFSA-N 1 3 362.474 0.738 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962034 1257753750 /nfs/dbraw/zinc/75/37/50/1257753750.db2.gz SKOJPYXSQKBVHV-LXZKKBNFSA-N 1 3 362.474 0.738 20 0 FCADHO COc1cccc(CCCN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053835 1257865940 /nfs/dbraw/zinc/86/59/40/1257865940.db2.gz MSUMOPRGSOHFOF-UHOSZYNNSA-N 1 3 361.486 0.741 20 0 FCADHO COc1cccc(CCCN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053835 1257865949 /nfs/dbraw/zinc/86/59/49/1257865949.db2.gz MSUMOPRGSOHFOF-UHOSZYNNSA-N 1 3 361.486 0.741 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001331113410 1266149469 /nfs/dbraw/zinc/14/94/69/1266149469.db2.gz SPLGGDHZGGRHCA-OKZBNKHCSA-N 1 3 358.486 0.806 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001331113411 1266149736 /nfs/dbraw/zinc/14/97/36/1266149736.db2.gz SPLGGDHZGGRHCA-RCCFBDPRSA-N 1 3 358.486 0.806 20 0 FCADHO Cn1nccc1CCN1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347224 1258040682 /nfs/dbraw/zinc/04/06/82/1258040682.db2.gz KMRHITPACAQNNW-NZSAHSFTSA-N 1 3 357.502 0.837 20 0 FCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001084941488 1258454902 /nfs/dbraw/zinc/45/49/02/1258454902.db2.gz LMIZWTRFXYXGSV-KURKYZTESA-N 1 3 358.490 0.543 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104363054 1258916007 /nfs/dbraw/zinc/91/60/07/1258916007.db2.gz XBSXUXIVFGHLET-ZIAGYGMSSA-N 1 3 369.510 0.247 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1C ZINC001106878265 1258986459 /nfs/dbraw/zinc/98/64/59/1258986459.db2.gz JSQNVEIPCLNVTM-HUUCEWRRSA-N 1 3 366.510 0.140 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001107039189 1259022537 /nfs/dbraw/zinc/02/25/37/1259022537.db2.gz MOCLTOJFSDLOJD-HZPDHXFCSA-N 1 3 368.522 0.306 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039458 1259022946 /nfs/dbraw/zinc/02/29/46/1259022946.db2.gz SGWZQULMFJMZMU-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCC(=O)NC(C)(C)C)CC1 ZINC001127570730 1259180297 /nfs/dbraw/zinc/18/02/97/1259180297.db2.gz DOWVOOSDIAKTPL-WBVHZDCISA-N 1 3 368.522 0.354 20 0 FCADHO CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C[C@H](N)Cc3ccccc3)C2)C1 ZINC001235518860 1259573974 /nfs/dbraw/zinc/57/39/74/1259573974.db2.gz LVGIJMQHGUVENR-CTNGQTDRSA-N 1 3 374.529 0.717 20 0 FCADHO CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C[C@H](N)Cc3ccccc3)C2)C1 ZINC001235518860 1259573982 /nfs/dbraw/zinc/57/39/82/1259573982.db2.gz LVGIJMQHGUVENR-CTNGQTDRSA-N 1 3 374.529 0.717 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH3+])(c4ccccc4)CC3)C[C@@H]21 ZINC001335303743 1259597612 /nfs/dbraw/zinc/59/76/12/1259597612.db2.gz ZYCWGQNICCRMJS-AEFFLSMTSA-N 1 3 370.497 0.668 20 0 FCADHO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CN1 ZINC001246199915 1259650450 /nfs/dbraw/zinc/65/04/50/1259650450.db2.gz YXHBHEBSJCKIMH-OALUTQOASA-N 1 3 360.502 0.817 20 0 FCADHO COC(=O)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC001246328355 1259651998 /nfs/dbraw/zinc/65/19/98/1259651998.db2.gz LHPIBVOCJKAZII-SFHVURJKSA-N 1 3 372.513 0.878 20 0 FCADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744823 1259678456 /nfs/dbraw/zinc/67/84/56/1259678456.db2.gz LTVVCOONFRCBAF-MIALQEHNSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CN1 ZINC001246744823 1259678464 /nfs/dbraw/zinc/67/84/64/1259678464.db2.gz LTVVCOONFRCBAF-MIALQEHNSA-N 1 3 372.517 0.976 20 0 FCADHO COc1nc(-c2noc(C34CNCC3C[NH2+]C4)n2)ccc1-n1cnc(C)c1 ZINC001247852397 1259706914 /nfs/dbraw/zinc/70/69/14/1259706914.db2.gz SFUZDZRRRRMQJU-UHFFFAOYSA-N 1 3 367.413 0.695 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388834 1259837636 /nfs/dbraw/zinc/83/76/36/1259837636.db2.gz OIIKNUNKNQOVIQ-QGZVFWFLSA-N 1 3 364.534 0.560 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024553 1260288631 /nfs/dbraw/zinc/28/86/31/1260288631.db2.gz UFRLTRMTSLRWTC-QWHCGFSZSA-N 1 3 351.417 0.606 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(=O)NC ZINC001264005096 1260362327 /nfs/dbraw/zinc/36/23/27/1260362327.db2.gz NJTCQEJSUDAWLT-CABCVRRESA-N 1 3 369.510 0.391 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(=O)NC ZINC001264005096 1260362333 /nfs/dbraw/zinc/36/23/33/1260362333.db2.gz NJTCQEJSUDAWLT-CABCVRRESA-N 1 3 369.510 0.391 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CC(N)=O)CC3)CC2)CC1 ZINC001338075324 1260551644 /nfs/dbraw/zinc/55/16/44/1260551644.db2.gz HVMHTBBQPAMPRK-UHFFFAOYSA-N 1 3 365.522 0.842 20 0 FCADHO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3CCN3C3CCCCC3)C[C@H]21 ZINC001273141772 1260607138 /nfs/dbraw/zinc/60/71/38/1260607138.db2.gz SWVKENURBNLUGQ-QRVBRYPASA-N 1 3 364.534 0.867 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249415 1260635171 /nfs/dbraw/zinc/63/51/71/1260635171.db2.gz VFGYFXKDMHISET-FGTMMUONSA-N 1 3 364.534 0.977 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249415 1260635179 /nfs/dbraw/zinc/63/51/79/1260635179.db2.gz VFGYFXKDMHISET-FGTMMUONSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C[C@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273253921 1260636037 /nfs/dbraw/zinc/63/60/37/1260636037.db2.gz HEBQJIIIWJHXDI-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273253921 1260636042 /nfs/dbraw/zinc/63/60/42/1260636042.db2.gz HEBQJIIIWJHXDI-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273312070 1260655716 /nfs/dbraw/zinc/65/57/16/1260655716.db2.gz BUUWZGMANXLQBH-SJORKVTESA-N 1 3 362.518 0.920 20 0 FCADHO Cn1c(=O)cccc1C(=O)N1C[C@@H]2CCN(C[C@@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001279502249 1260881101 /nfs/dbraw/zinc/88/11/01/1260881101.db2.gz PDJGMFPAURMNBD-SOLBZPMBSA-N 1 3 358.486 0.873 20 0 FCADHO Cn1c(=O)cccc1C(=O)N1C[C@@H]2CCN(C[C@@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001279502249 1260881106 /nfs/dbraw/zinc/88/11/06/1260881106.db2.gz PDJGMFPAURMNBD-SOLBZPMBSA-N 1 3 358.486 0.873 20 0 FCADHO O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CCn3ccnc3)C[C@@H]21 ZINC001280039917 1260982549 /nfs/dbraw/zinc/98/25/49/1260982549.db2.gz USGSOQADLXTVTP-BZSNNMDCSA-N 1 3 359.474 0.279 20 0 FCADHO CN1CCC([N@@H+]2C[C@@H]3OCCN(C(=O)[C@H]4CC5CCN4CC5)[C@H]3C2)CC1 ZINC001280070668 1260989430 /nfs/dbraw/zinc/98/94/30/1260989430.db2.gz WXFJKKWFBYSKFD-QYZOEREBSA-N 1 3 362.518 0.477 20 0 FCADHO CN1CCC([N@H+]2C[C@@H]3OCCN(C(=O)[C@H]4CC5CCN4CC5)[C@H]3C2)CC1 ZINC001280070668 1260989433 /nfs/dbraw/zinc/98/94/33/1260989433.db2.gz WXFJKKWFBYSKFD-QYZOEREBSA-N 1 3 362.518 0.477 20 0 FCADHO C[NH+]1CCC(N2C[C@@H]3OCCN(C(=O)[C@H]4CC5CCN4CC5)[C@H]3C2)CC1 ZINC001280070668 1260989436 /nfs/dbraw/zinc/98/94/36/1260989436.db2.gz WXFJKKWFBYSKFD-QYZOEREBSA-N 1 3 362.518 0.477 20 0 FCADHO CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991400 /nfs/dbraw/zinc/99/14/00/1260991400.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 1 3 359.518 0.933 20 0 FCADHO CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991408 /nfs/dbraw/zinc/99/14/08/1260991408.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 1 3 359.518 0.933 20 0 FCADHO CCOC(=O)CCN1CC2(C1)CCOC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280091272 1260998335 /nfs/dbraw/zinc/99/83/35/1260998335.db2.gz LYJDEVSWIRZRJK-INIZCTEOSA-N 1 3 367.490 0.489 20 0 FCADHO C[NH+](C)CCCN1CCC2(CN(C(=O)C3=CNN4C=CNC=C34)C2)CC1 ZINC001280218169 1261037195 /nfs/dbraw/zinc/03/71/95/1261037195.db2.gz GOBYIZOTFKRHOU-UHFFFAOYSA-N 1 3 358.490 0.482 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472504256 1261472156 /nfs/dbraw/zinc/47/21/56/1261472156.db2.gz YIQAWBLLZJIPBY-QGZVFWFLSA-N 1 3 371.485 0.675 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C)N(C)C ZINC001345577704 1261743958 /nfs/dbraw/zinc/74/39/58/1261743958.db2.gz BWLBCNOENNSLMU-PVAVHDDUSA-N 1 3 368.522 0.543 20 0 FCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC001322810995 1264273100 /nfs/dbraw/zinc/27/31/00/1264273100.db2.gz HTOFXMWAQRJFER-QGZVFWFLSA-N 1 3 372.513 0.961 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001322823799 1264276169 /nfs/dbraw/zinc/27/61/69/1264276169.db2.gz PGBWHLRDUOIHFF-KRWDZBQOSA-N 1 3 364.465 0.881 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001512829549 1264679960 /nfs/dbraw/zinc/67/99/60/1264679960.db2.gz UVMLDYKGAZDISU-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001325428285 1264883336 /nfs/dbraw/zinc/88/33/36/1264883336.db2.gz OAKLSNODYWTENK-CYBMUJFWSA-N 1 3 370.444 0.969 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)o1 ZINC001326927203 1265200445 /nfs/dbraw/zinc/20/04/45/1265200445.db2.gz SFUSOSIQYZLQPA-INIZCTEOSA-N 1 3 364.490 0.888 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)Cc1ccco1 ZINC001327197493 1265250435 /nfs/dbraw/zinc/25/04/35/1265250435.db2.gz CGAUPTIGVNIHQC-INIZCTEOSA-N 1 3 364.490 0.970 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC001327456953 1265329553 /nfs/dbraw/zinc/32/95/53/1265329553.db2.gz FEODTJMVCMSGLQ-KRWDZBQOSA-N 1 3 360.458 0.762 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397694 1266591897 /nfs/dbraw/zinc/59/18/97/1266591897.db2.gz MMPMPISWAVRPMK-HOTGVXAUSA-N 1 3 366.506 0.252 20 0 FCADHO CSCC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001334960601 1267250663 /nfs/dbraw/zinc/25/06/63/1267250663.db2.gz BCUWRNIEBMYZGB-UHFFFAOYSA-N 1 3 358.552 0.540 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047564 1267794861 /nfs/dbraw/zinc/79/48/61/1267794861.db2.gz SYRDSQQKWRZACW-GJZGRUSLSA-N 1 3 358.450 0.335 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338503882 1267962420 /nfs/dbraw/zinc/96/24/20/1267962420.db2.gz COIXHMRFVGQTHB-XHSDSOJGSA-N 1 3 351.495 0.180 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338503881 1267962868 /nfs/dbraw/zinc/96/28/68/1267962868.db2.gz COIXHMRFVGQTHB-ARFHVFGLSA-N 1 3 351.495 0.180 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C[C@@H]2[NH3+])c1 ZINC001549733517 1267981197 /nfs/dbraw/zinc/98/11/97/1267981197.db2.gz AUXOMNIMRJWGPM-KURKYZTESA-N 1 3 368.485 0.980 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2Cc3ccccc3CN2)cnn1C ZINC001550114882 1268076787 /nfs/dbraw/zinc/07/67/87/1268076787.db2.gz BTORTELWRDMUKV-NEWSRXKRSA-N 1 3 353.470 0.862 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1ccnn1CCN(C)C)C2 ZINC001550478242 1268124488 /nfs/dbraw/zinc/12/44/88/1268124488.db2.gz MIKBSILUEBSNEG-XPYUAMARSA-N 1 3 363.506 0.654 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)c1ccnn1CCN(C)C)C2 ZINC001550478242 1268124491 /nfs/dbraw/zinc/12/44/91/1268124491.db2.gz MIKBSILUEBSNEG-XPYUAMARSA-N 1 3 363.506 0.654 20 0 FCADHO COc1ccccc1NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912738 1268183970 /nfs/dbraw/zinc/18/39/70/1268183970.db2.gz KBALLBZANOPXOF-HNAYVOBHSA-N 1 3 360.458 0.870 20 0 FCADHO COc1cccc(NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913858 1268184193 /nfs/dbraw/zinc/18/41/93/1268184193.db2.gz QAYVDTJMBKVDRM-VQIMIIECSA-N 1 3 360.458 0.870 20 0 FCADHO COc1ccccc1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912742 1268184659 /nfs/dbraw/zinc/18/46/59/1268184659.db2.gz KBALLBZANOPXOF-KXBFYZLASA-N 1 3 360.458 0.870 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551547587 1268264712 /nfs/dbraw/zinc/26/47/12/1268264712.db2.gz DOXMQLIORWJUMS-IOSXPMGOSA-N 1 3 363.506 0.594 20 0 FCADHO Cc1cccc(C[NH+]2CCN(c3nnc(C4=NO[C@@H](CO)C4)n3C)CC2)c1 ZINC001339899798 1268364142 /nfs/dbraw/zinc/36/41/42/1268364142.db2.gz BTGNCKHBMGGPRH-MRXNPFEDSA-N 1 3 370.457 0.931 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC001552168343 1268401131 /nfs/dbraw/zinc/40/11/31/1268401131.db2.gz UTRICFYAXYOOMS-ZTFGCOKTSA-N 1 3 362.522 0.174 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552202139 1268408437 /nfs/dbraw/zinc/40/84/37/1268408437.db2.gz AXPHBGPZOLLMDQ-PZJWPPBQSA-N 1 3 372.513 0.676 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)CC2)nc1 ZINC001552203430 1268409754 /nfs/dbraw/zinc/40/97/54/1268409754.db2.gz BNHKNWVXCCAGPU-QFBILLFUSA-N 1 3 359.474 0.028 20 0 FCADHO CCC(C)(C)N1CCN(C(=O)Cn2cc([C@H]3C[NH2+]C[C@H]3OC)nn2)CC1 ZINC001552210486 1268411293 /nfs/dbraw/zinc/41/12/93/1268411293.db2.gz ANDZHSQMYZNUDG-GDBMZVCRSA-N 1 3 364.494 0.313 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CCN([C@H]3CCOC3)CC2)cnn1C ZINC001552215132 1268412485 /nfs/dbraw/zinc/41/24/85/1268412485.db2.gz CDHOJRXLAHGJHC-RYQLBKOJSA-N 1 3 361.490 0.401 20 0 FCADHO O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001340397057 1268534877 /nfs/dbraw/zinc/53/48/77/1268534877.db2.gz DCYIEVIERSFQNL-AZUAARDMSA-N 1 3 361.486 0.898 20 0 FCADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1(O)C[NH2+]C1 ZINC001340596882 1268598224 /nfs/dbraw/zinc/59/82/24/1268598224.db2.gz UYDQSLBYSCAENC-SFHVURJKSA-N 1 3 355.438 0.586 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2[C@H]3CCCC[NH2+][C@@H]32)CC1 ZINC001553555309 1268669503 /nfs/dbraw/zinc/66/95/03/1268669503.db2.gz JJJVADAVSMOGLM-HRCADAONSA-N 1 3 363.506 0.642 20 0 FCADHO CCN(CC)CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001341030416 1268751938 /nfs/dbraw/zinc/75/19/38/1268751938.db2.gz VLKOHLUGPURJBH-JZXOWHBKSA-N 1 3 352.523 0.974 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001341625879 1269117154 /nfs/dbraw/zinc/11/71/54/1269117154.db2.gz CLZUNGFHIVMFLP-FQEVSTJZSA-N 1 3 360.502 0.555 20 0 FCADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C(=O)[C@H](CN)OC ZINC001342962148 1269702086 /nfs/dbraw/zinc/70/20/86/1269702086.db2.gz WJKXYNHIBLHOEG-IKGGRYGDSA-N 1 3 363.458 0.530 20 0 FCADHO C[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)N1CCCCCC1 ZINC001343675893 1269980319 /nfs/dbraw/zinc/98/03/19/1269980319.db2.gz YPLGOEMRJYSJCX-ZACQAIPSSA-N 1 3 368.522 0.281 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)N(C)C ZINC001572819341 1270190536 /nfs/dbraw/zinc/19/05/36/1270190536.db2.gz KXCQGJNFWPEULR-IXDOHACOSA-N 1 3 368.522 0.281 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876316 1271634300 /nfs/dbraw/zinc/63/43/00/1271634300.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876316 1271634303 /nfs/dbraw/zinc/63/43/03/1271634303.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876316 1271634305 /nfs/dbraw/zinc/63/43/05/1271634305.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876316 1271634312 /nfs/dbraw/zinc/63/43/12/1271634312.db2.gz LJNBHIFNYPMNGT-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[NH3+] ZINC001575716245 1272360031 /nfs/dbraw/zinc/36/00/31/1272360031.db2.gz OCLDEHXTJYFNHO-UHFFFAOYSA-N 1 3 351.499 0.686 20 0 FCADHO C[C@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2ccncc2)c1 ZINC001576061989 1272807849 /nfs/dbraw/zinc/80/78/49/1272807849.db2.gz YATVMOJZMZIIBW-BBRMVZONSA-N 1 3 366.429 0.821 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1CCN1CCC[C@@H](C)C1 ZINC001576709918 1273578631 /nfs/dbraw/zinc/57/86/31/1273578631.db2.gz WQBVJOAGWMLDKI-CABCVRRESA-N 1 3 363.510 0.686 20 0 FCADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576767257 1273647017 /nfs/dbraw/zinc/64/70/17/1273647017.db2.gz LUKJVBNCUQAWQN-CJNGLKHVSA-N 1 3 374.493 0.885 20 0 FCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576785198 1273674131 /nfs/dbraw/zinc/67/41/31/1273674131.db2.gz KRLGSWFGRJQZCX-INIZCTEOSA-N 1 3 369.473 0.947 20 0 FCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576785198 1273674138 /nfs/dbraw/zinc/67/41/38/1273674138.db2.gz KRLGSWFGRJQZCX-INIZCTEOSA-N 1 3 369.473 0.947 20 0 FCADHO CCc1nnc(N2CC[C@H]([NH3+])C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001578328643 1275674425 /nfs/dbraw/zinc/67/44/25/1275674425.db2.gz JRNDNMLUAQMLJF-GJZGRUSLSA-N 1 3 363.510 0.321 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001578397759 1275773060 /nfs/dbraw/zinc/77/30/60/1275773060.db2.gz XFHKOIKWBWEPNC-CVEARBPZSA-N 1 3 353.511 0.618 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN(Cc2nc3c(s2)CNCC3)CC1 ZINC001578418700 1275787130 /nfs/dbraw/zinc/78/71/30/1275787130.db2.gz OREFLDHQGIVTTA-UHFFFAOYSA-N 1 3 351.520 0.679 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001578521583 1275956377 /nfs/dbraw/zinc/95/63/77/1275956377.db2.gz XSWXFCIVTCVNKH-CALCHBBNSA-N 1 3 356.536 0.723 20 0 FCADHO C[NH2+]CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001578720642 1276194069 /nfs/dbraw/zinc/19/40/69/1276194069.db2.gz JRHSZPLROAFANG-MRXNPFEDSA-N 1 3 371.489 0.718 20 0 FCADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)Cn2c(C[NH3+])nc3ccccc32)C1 ZINC001578797972 1276286891 /nfs/dbraw/zinc/28/68/91/1276286891.db2.gz VZBWWTLTYJGKMU-CYBMUJFWSA-N 1 3 359.430 0.058 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001578977411 1276531481 /nfs/dbraw/zinc/53/14/81/1276531481.db2.gz OFFCYNSVGHCCLZ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001578977411 1276531488 /nfs/dbraw/zinc/53/14/88/1276531488.db2.gz OFFCYNSVGHCCLZ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578987464 1276557637 /nfs/dbraw/zinc/55/76/37/1276557637.db2.gz DXEJDQQCORYPCP-CTYIDZIISA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578987464 1276557640 /nfs/dbraw/zinc/55/76/40/1276557640.db2.gz DXEJDQQCORYPCP-CTYIDZIISA-N 1 3 357.462 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001579325151 1277142338 /nfs/dbraw/zinc/14/23/38/1277142338.db2.gz AVXKQBZDHYXWJN-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001579325151 1277142339 /nfs/dbraw/zinc/14/23/39/1277142339.db2.gz AVXKQBZDHYXWJN-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001579325151 1277142344 /nfs/dbraw/zinc/14/23/44/1277142344.db2.gz AVXKQBZDHYXWJN-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001579325151 1277142346 /nfs/dbraw/zinc/14/23/46/1277142346.db2.gz AVXKQBZDHYXWJN-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326970 1277152585 /nfs/dbraw/zinc/15/25/85/1277152585.db2.gz NJHOPNUITNHSMT-ZBFHGGJFSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326970 1277152587 /nfs/dbraw/zinc/15/25/87/1277152587.db2.gz NJHOPNUITNHSMT-ZBFHGGJFSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326970 1277152589 /nfs/dbraw/zinc/15/25/89/1277152589.db2.gz NJHOPNUITNHSMT-ZBFHGGJFSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326970 1277152590 /nfs/dbraw/zinc/15/25/90/1277152590.db2.gz NJHOPNUITNHSMT-ZBFHGGJFSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579328664 1277156735 /nfs/dbraw/zinc/15/67/35/1277156735.db2.gz IWSJJHQFRXMYAI-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579328664 1277156741 /nfs/dbraw/zinc/15/67/41/1277156741.db2.gz IWSJJHQFRXMYAI-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579328664 1277156743 /nfs/dbraw/zinc/15/67/43/1277156743.db2.gz IWSJJHQFRXMYAI-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579328664 1277156749 /nfs/dbraw/zinc/15/67/49/1277156749.db2.gz IWSJJHQFRXMYAI-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579332301 1277165668 /nfs/dbraw/zinc/16/56/68/1277165668.db2.gz JLNGUORAAYUXPX-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579332301 1277165671 /nfs/dbraw/zinc/16/56/71/1277165671.db2.gz JLNGUORAAYUXPX-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579332301 1277165674 /nfs/dbraw/zinc/16/56/74/1277165674.db2.gz JLNGUORAAYUXPX-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579332301 1277165675 /nfs/dbraw/zinc/16/56/75/1277165675.db2.gz JLNGUORAAYUXPX-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335267 1277175816 /nfs/dbraw/zinc/17/58/16/1277175816.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335267 1277175820 /nfs/dbraw/zinc/17/58/20/1277175820.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335267 1277175824 /nfs/dbraw/zinc/17/58/24/1277175824.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335267 1277175827 /nfs/dbraw/zinc/17/58/27/1277175827.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335267 1277175833 /nfs/dbraw/zinc/17/58/33/1277175833.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335267 1277175835 /nfs/dbraw/zinc/17/58/35/1277175835.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335267 1277175837 /nfs/dbraw/zinc/17/58/37/1277175837.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335267 1277175840 /nfs/dbraw/zinc/17/58/40/1277175840.db2.gz PPLITNNOBLLKPR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CCC[NH+](C)C ZINC001580270238 1278062056 /nfs/dbraw/zinc/06/20/56/1278062056.db2.gz MLNPHUFBCHVLNE-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CCC[NH+](C)C ZINC001580270238 1278062058 /nfs/dbraw/zinc/06/20/58/1278062058.db2.gz MLNPHUFBCHVLNE-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011963 1279238013 /nfs/dbraw/zinc/23/80/13/1279238013.db2.gz PYLCYERDIQSPNL-CZUORRHYSA-N 1 3 374.493 0.837 20 0 FCADHO Cc1cc(NCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024972 1279256294 /nfs/dbraw/zinc/25/62/94/1279256294.db2.gz LXJKHKPWQHUOAW-BLLLJJGKSA-N 1 3 374.493 0.885 20 0 FCADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956971 1283146561 /nfs/dbraw/zinc/14/65/61/1283146561.db2.gz FBVSJYWQMSTBKJ-XJKSGUPXSA-N 1 3 358.446 0.846 20 0 FCADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956971 1283146563 /nfs/dbraw/zinc/14/65/63/1283146563.db2.gz FBVSJYWQMSTBKJ-XJKSGUPXSA-N 1 3 358.446 0.846 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175692 1284265029 /nfs/dbraw/zinc/26/50/29/1284265029.db2.gz RNUJGYVZSFFZID-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175692 1284265039 /nfs/dbraw/zinc/26/50/39/1284265039.db2.gz RNUJGYVZSFFZID-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175692 1284265049 /nfs/dbraw/zinc/26/50/49/1284265049.db2.gz RNUJGYVZSFFZID-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175692 1284265057 /nfs/dbraw/zinc/26/50/57/1284265057.db2.gz RNUJGYVZSFFZID-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178596 1284278474 /nfs/dbraw/zinc/27/84/74/1284278474.db2.gz WTDLGEKMXUTHAT-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178596 1284278479 /nfs/dbraw/zinc/27/84/79/1284278479.db2.gz WTDLGEKMXUTHAT-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178596 1284278485 /nfs/dbraw/zinc/27/84/85/1284278485.db2.gz WTDLGEKMXUTHAT-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178596 1284278493 /nfs/dbraw/zinc/27/84/93/1284278493.db2.gz WTDLGEKMXUTHAT-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ncc1-c1nnn[n-]1 ZINC001591909573 1284998857 /nfs/dbraw/zinc/99/88/57/1284998857.db2.gz VGTDDEJTDFSIRQ-UHFFFAOYSA-N 1 3 374.493 0.916 20 0 FCADHO Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ncc1-c1nn[n-]n1 ZINC001591909573 1284998866 /nfs/dbraw/zinc/99/88/66/1284998866.db2.gz VGTDDEJTDFSIRQ-UHFFFAOYSA-N 1 3 374.493 0.916 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001719118710 1287776051 /nfs/dbraw/zinc/77/60/51/1287776051.db2.gz FFRVWZXTRPQTGG-BFYDXBDKSA-N 1 3 370.538 0.238 20 0 FCADHO O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1C[NH+]2CCC1CC2 ZINC001593086448 1285986122 /nfs/dbraw/zinc/98/61/22/1285986122.db2.gz QWELLFLAQFCXBE-INIZCTEOSA-N 1 3 373.436 0.553 20 0 FCADHO O[C@H](COc1ccccc1-c1nnn[n-]1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511760 1286188651 /nfs/dbraw/zinc/18/86/51/1286188651.db2.gz KTHNXBDSWGMJGS-AWEZNQCLSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@H](COc1ccccc1-c1nnn[n-]1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511760 1286188653 /nfs/dbraw/zinc/18/86/53/1286188653.db2.gz KTHNXBDSWGMJGS-AWEZNQCLSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@H](COc1ccccc1-c1nn[n-]n1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511760 1286188656 /nfs/dbraw/zinc/18/86/56/1286188656.db2.gz KTHNXBDSWGMJGS-AWEZNQCLSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@H](COc1ccccc1-c1nn[n-]n1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001593511760 1286188657 /nfs/dbraw/zinc/18/86/57/1286188657.db2.gz KTHNXBDSWGMJGS-AWEZNQCLSA-N 1 3 358.446 0.682 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001736042700 1289128891 /nfs/dbraw/zinc/12/88/91/1289128891.db2.gz RKFVAZDZIUIVCF-BZUAXINKSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001736042700 1289128899 /nfs/dbraw/zinc/12/88/99/1289128899.db2.gz RKFVAZDZIUIVCF-BZUAXINKSA-N 1 3 350.507 0.870 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC001735719501 1288795641 /nfs/dbraw/zinc/79/56/41/1288795641.db2.gz QNPXYSBIOKSVCG-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001735883059 1288987235 /nfs/dbraw/zinc/98/72/35/1288987235.db2.gz LXQNRXUOKGGMJR-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC001691948052 1289349383 /nfs/dbraw/zinc/34/93/83/1289349383.db2.gz PXCMNGUWHLPVJH-RRFJBIMHSA-N 1 3 363.462 0.748 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC001691948052 1289349392 /nfs/dbraw/zinc/34/93/92/1289349392.db2.gz PXCMNGUWHLPVJH-RRFJBIMHSA-N 1 3 363.462 0.748 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001692042334 1289374805 /nfs/dbraw/zinc/37/48/05/1289374805.db2.gz PCKAMKAQNRDHSN-XJKCOSOUSA-N 1 3 363.462 0.072 20 0 FCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001698998620 1289542082 /nfs/dbraw/zinc/54/20/82/1289542082.db2.gz FXUQUYQWCWFIMY-QRVBRYPASA-N 1 3 363.502 0.729 20 0 FCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001698998620 1289542090 /nfs/dbraw/zinc/54/20/90/1289542090.db2.gz FXUQUYQWCWFIMY-QRVBRYPASA-N 1 3 363.502 0.729 20 0 FCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309309 1289551816 /nfs/dbraw/zinc/55/18/16/1289551816.db2.gz XRERHVOSVVQMMO-SZXSIIMHSA-N 1 3 358.486 0.858 20 0 FCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309309 1289551820 /nfs/dbraw/zinc/55/18/20/1289551820.db2.gz XRERHVOSVVQMMO-SZXSIIMHSA-N 1 3 358.486 0.858 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)CC1 ZINC001667866584 1291947349 /nfs/dbraw/zinc/94/73/49/1291947349.db2.gz HEMQYCLJLLBJEX-DZGCQCFKSA-N 1 3 351.495 0.498 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001689034027 1294579231 /nfs/dbraw/zinc/57/92/31/1294579231.db2.gz IEMYIRQGKGLNIU-RYQLBKOJSA-N 1 3 363.506 0.682 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1C[C@H](O)Cn1cccn1 ZINC001689338243 1294759945 /nfs/dbraw/zinc/75/99/45/1294759945.db2.gz KWIIJWNKGWTLKB-SQNIBIBYSA-N 1 3 363.506 0.699 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001690469788 1294867020 /nfs/dbraw/zinc/86/70/20/1294867020.db2.gz BSEATOLLYCMNDU-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001690469788 1294867030 /nfs/dbraw/zinc/86/70/30/1294867030.db2.gz BSEATOLLYCMNDU-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO c1ncc(O[C@@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CCN3C2)cn1 ZINC001164740903 720806967 /nfs/dbraw/zinc/80/69/67/720806967.db2.gz AWIGVWWUTGURBK-HUUCEWRRSA-N 1 3 353.430 0.295 20 0 FCADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4CCNC5)CC[N@@H+]3C2)c1 ZINC001164867997 721064408 /nfs/dbraw/zinc/06/44/08/721064408.db2.gz LVFWTQQJFGJZOC-SJORKVTESA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4CCNC5)CC[N@H+]3C2)c1 ZINC001164867997 721064413 /nfs/dbraw/zinc/06/44/13/721064413.db2.gz LVFWTQQJFGJZOC-SJORKVTESA-N 1 3 366.469 0.997 20 0 FCADHO CN1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)CC1 ZINC001164927080 721850557 /nfs/dbraw/zinc/85/05/57/721850557.db2.gz JISDKOWVSBVPAE-SJORKVTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927080 721850558 /nfs/dbraw/zinc/85/05/58/721850558.db2.gz JISDKOWVSBVPAE-SJORKVTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927080 721850560 /nfs/dbraw/zinc/85/05/60/721850560.db2.gz JISDKOWVSBVPAE-SJORKVTESA-N 1 3 359.522 0.443 20 0 FCADHO CN1CCN(c2nccc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)n2)CC1 ZINC001164929162 721884889 /nfs/dbraw/zinc/88/48/89/721884889.db2.gz AGYPVSHZQWLBHX-IAGOWNOFSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929162 721884890 /nfs/dbraw/zinc/88/48/90/721884890.db2.gz AGYPVSHZQWLBHX-IAGOWNOFSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929162 721884892 /nfs/dbraw/zinc/88/48/92/721884892.db2.gz AGYPVSHZQWLBHX-IAGOWNOFSA-N 1 3 359.522 0.443 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275522 837642434 /nfs/dbraw/zinc/64/24/34/837642434.db2.gz QKJLMNRXNQCYPG-JKIFEVAISA-N 1 3 352.458 0.852 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC1 ZINC001099327993 844026563 /nfs/dbraw/zinc/02/65/63/844026563.db2.gz OTNLMWGAAYZDRS-CHWSQXEVSA-N 1 3 353.385 0.068 20 0 FCADHO CN(C)S(=O)(=O)CC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397667937 836065766 /nfs/dbraw/zinc/06/57/66/836065766.db2.gz GQNKQAZLCWULSI-UHFFFAOYSA-N 1 3 355.504 0.495 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400313 844174800 /nfs/dbraw/zinc/17/48/00/844174800.db2.gz QKYSQPMPJPWGHD-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400313 844174804 /nfs/dbraw/zinc/17/48/04/844174804.db2.gz QKYSQPMPJPWGHD-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061741512 836712778 /nfs/dbraw/zinc/71/27/78/836712778.db2.gz SSUZNNWOGDQYRF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061741512 836712783 /nfs/dbraw/zinc/71/27/83/836712783.db2.gz SSUZNNWOGDQYRF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974628 844356396 /nfs/dbraw/zinc/35/63/96/844356396.db2.gz JJMROGBJKZQLOM-IAGOWNOFSA-N 1 3 355.523 0.944 20 0 FCADHO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974628 844356410 /nfs/dbraw/zinc/35/64/10/844356410.db2.gz JJMROGBJKZQLOM-IAGOWNOFSA-N 1 3 355.523 0.944 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048723 844395577 /nfs/dbraw/zinc/39/55/77/844395577.db2.gz MQSXVFQSJUNAQE-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048723 844395589 /nfs/dbraw/zinc/39/55/89/844395589.db2.gz MQSXVFQSJUNAQE-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077618405 839072609 /nfs/dbraw/zinc/07/26/09/839072609.db2.gz HPMHYTUBHQFIBV-FGTMMUONSA-N 1 3 353.507 0.431 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104366 844416131 /nfs/dbraw/zinc/41/61/31/844416131.db2.gz RTMURUXHOQUVQN-MGPQQGTHSA-N 1 3 352.479 0.206 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104366 844416135 /nfs/dbraw/zinc/41/61/35/844416135.db2.gz RTMURUXHOQUVQN-MGPQQGTHSA-N 1 3 352.479 0.206 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104365 844416761 /nfs/dbraw/zinc/41/67/61/844416761.db2.gz RTMURUXHOQUVQN-MCIONIFRSA-N 1 3 352.479 0.206 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102104365 844416765 /nfs/dbraw/zinc/41/67/65/844416765.db2.gz RTMURUXHOQUVQN-MCIONIFRSA-N 1 3 352.479 0.206 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001078012243 839292182 /nfs/dbraw/zinc/29/21/82/839292182.db2.gz YPWNVNRMYVPNMI-BRWVUGGUSA-N 1 3 351.491 0.449 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368328 844478097 /nfs/dbraw/zinc/47/80/97/844478097.db2.gz PPYMJZKGBHKLNF-OWCLPIDISA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368328 844478104 /nfs/dbraw/zinc/47/81/04/844478104.db2.gz PPYMJZKGBHKLNF-OWCLPIDISA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370106 844478381 /nfs/dbraw/zinc/47/83/81/844478381.db2.gz REKIWFVPYKUQNH-BZUAXINKSA-N 1 3 351.495 0.038 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370106 844478384 /nfs/dbraw/zinc/47/83/84/844478384.db2.gz REKIWFVPYKUQNH-BZUAXINKSA-N 1 3 351.495 0.038 20 0 FCADHO CO[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095875 840183437 /nfs/dbraw/zinc/18/34/37/840183437.db2.gz MVRNUAZRCBQBJW-KBAYOESNSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082557447 840463835 /nfs/dbraw/zinc/46/38/35/840463835.db2.gz FHWMUZQGOQDIMZ-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082612613 840493337 /nfs/dbraw/zinc/49/33/37/840493337.db2.gz WTDUKCPCDPUCBZ-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082612613 840493347 /nfs/dbraw/zinc/49/33/47/840493347.db2.gz WTDUKCPCDPUCBZ-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccns1 ZINC001082653619 840513183 /nfs/dbraw/zinc/51/31/83/840513183.db2.gz UGOZFGBBTJNFMZ-YRWBVFEESA-N 1 3 362.499 0.943 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccns1 ZINC001082653619 840513191 /nfs/dbraw/zinc/51/31/91/840513191.db2.gz UGOZFGBBTJNFMZ-YRWBVFEESA-N 1 3 362.499 0.943 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083749591 841392093 /nfs/dbraw/zinc/39/20/93/841392093.db2.gz HPMHYTUBHQFIBV-SQNIBIBYSA-N 1 3 353.507 0.431 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083908459 841555313 /nfs/dbraw/zinc/55/53/13/841555313.db2.gz FGNSHTLYRZVOJY-NXHRZFHOSA-N 1 3 353.507 0.695 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087062531 842259718 /nfs/dbraw/zinc/25/97/18/842259718.db2.gz KKZWSVIDZLMOHA-DJIMGWMZSA-N 1 3 351.495 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087084635 842278341 /nfs/dbraw/zinc/27/83/41/842278341.db2.gz LXINBLFTQVQYIN-HYVNUMGLSA-N 1 3 351.495 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1snnc1C ZINC001087101100 842290132 /nfs/dbraw/zinc/29/01/32/842290132.db2.gz SSUJODIKQTXRLM-RRFJBIMHSA-N 1 3 367.519 0.751 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1snnc1C ZINC001087101100 842290139 /nfs/dbraw/zinc/29/01/39/842290139.db2.gz SSUJODIKQTXRLM-RRFJBIMHSA-N 1 3 367.519 0.751 20 0 FCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001087219802 842320913 /nfs/dbraw/zinc/32/09/13/842320913.db2.gz PBUDWQAGXPILSB-YCPHGPKFSA-N 1 3 368.503 0.604 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093280274 843420176 /nfs/dbraw/zinc/42/01/76/843420176.db2.gz MRYJNRFULMOQEL-INMHGKMJSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[C@H]1N(C(=O)C2(N(C)C)CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448544 843434182 /nfs/dbraw/zinc/43/41/82/843434182.db2.gz APTYFTYUJSDOIO-YFHUEUNASA-N 1 3 353.507 0.429 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099261105 843994725 /nfs/dbraw/zinc/99/47/25/843994725.db2.gz KOFBSNYZORARNL-BFHYXJOUSA-N 1 3 351.413 0.936 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099261105 843994729 /nfs/dbraw/zinc/99/47/29/843994729.db2.gz KOFBSNYZORARNL-BFHYXJOUSA-N 1 3 351.413 0.936 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001103004973 844683615 /nfs/dbraw/zinc/68/36/15/844683615.db2.gz INRSTIVJTGARCS-KCYZZUKISA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001103004973 844683622 /nfs/dbraw/zinc/68/36/22/844683622.db2.gz INRSTIVJTGARCS-KCYZZUKISA-N 1 3 350.507 0.679 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174724 844716437 /nfs/dbraw/zinc/71/64/37/844716437.db2.gz ZNDXKJIKPZGPPE-ZACQAIPSSA-N 1 3 352.523 0.927 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174724 844716444 /nfs/dbraw/zinc/71/64/44/844716444.db2.gz ZNDXKJIKPZGPPE-ZACQAIPSSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@H](CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001103398471 844750945 /nfs/dbraw/zinc/75/09/45/844750945.db2.gz UJQDWOOUOUNAKD-BZUAXINKSA-N 1 3 361.552 0.693 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001104322464 844894169 /nfs/dbraw/zinc/89/41/69/844894169.db2.gz LOVCXRRFXPQHIT-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001104639224 844927900 /nfs/dbraw/zinc/92/79/00/844927900.db2.gz LOVCXRRFXPQHIT-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104680014 844932803 /nfs/dbraw/zinc/93/28/03/844932803.db2.gz OAVPIXKSVWRDAX-GVDBMIGSSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)[C@H]1N(C(=O)Cc2c[nH]cn2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655569 845010561 /nfs/dbraw/zinc/01/05/61/845010561.db2.gz JFEMQFWIYVOLEK-JOCBIADPSA-N 1 3 350.463 0.301 20 0 FCADHO C[NH+]1CCN(CCCN2C(=O)COCC23CN(CCCCF)C3)CC1 ZINC001276667920 861526563 /nfs/dbraw/zinc/52/65/63/861526563.db2.gz NEAUIQIPGUBHNQ-UHFFFAOYSA-N 1 3 356.486 0.287 20 0 FCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134292 845110853 /nfs/dbraw/zinc/11/08/53/845110853.db2.gz YMHQPCMHODKAFM-ZACQAIPSSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106244343 845142050 /nfs/dbraw/zinc/14/20/50/845142050.db2.gz KMXBSTNWYGCZJF-HUUCEWRRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106249558 845143215 /nfs/dbraw/zinc/14/32/15/845143215.db2.gz KVHKOJHPYFTBAU-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249445 845143269 /nfs/dbraw/zinc/14/32/69/845143269.db2.gz HYVKAUDICAHXAY-QGPMSJSTSA-N 1 3 352.523 0.783 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1)N(C)C ZINC001106312575 845153172 /nfs/dbraw/zinc/15/31/72/845153172.db2.gz IZRKSBCTGYSVQR-BZUAXINKSA-N 1 3 355.527 0.718 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1)N(C)C ZINC001106673620 845222816 /nfs/dbraw/zinc/22/28/16/845222816.db2.gz IZRKSBCTGYSVQR-OAGGEKHMSA-N 1 3 355.527 0.718 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001106705171 845228646 /nfs/dbraw/zinc/22/86/46/845228646.db2.gz UYRSASGTPWLUJE-BFYDXBDKSA-N 1 3 350.463 0.832 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106783333 845251872 /nfs/dbraw/zinc/25/18/72/845251872.db2.gz MTTPVEYTHMZWSH-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCCOC)[C@H](C)C1 ZINC001106782907 845252480 /nfs/dbraw/zinc/25/24/80/845252480.db2.gz BTIDGXQGRBWBEK-ZACQAIPSSA-N 1 3 359.511 0.036 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1 ZINC001106910943 845284153 /nfs/dbraw/zinc/28/41/53/845284153.db2.gz WVYUCOSVJKOCHO-HZPDHXFCSA-N 1 3 361.552 0.837 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039286 845316580 /nfs/dbraw/zinc/31/65/80/845316580.db2.gz PGJLHCQAXGFPLX-HZPDHXFCSA-N 1 3 356.511 0.163 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001107042292 845316775 /nfs/dbraw/zinc/31/67/75/845316775.db2.gz FLRKGULQAFYSGA-ZACQAIPSSA-N 1 3 351.495 0.268 20 0 FCADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C1CCC1 ZINC001107439411 845373440 /nfs/dbraw/zinc/37/34/40/845373440.db2.gz ZZMFAFIUJROMRT-IEBWSBKVSA-N 1 3 353.507 0.840 20 0 FCADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C1CCC1 ZINC001107439411 845373451 /nfs/dbraw/zinc/37/34/51/845373451.db2.gz ZZMFAFIUJROMRT-IEBWSBKVSA-N 1 3 353.507 0.840 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709750 845953792 /nfs/dbraw/zinc/95/37/92/845953792.db2.gz KKTMXAYODPXONG-TWMKSMIVSA-N 1 3 351.491 0.591 20 0 FCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198232 846059419 /nfs/dbraw/zinc/05/94/19/846059419.db2.gz PMGKXXFVNMUJAR-IDCNUPLLSA-N 1 3 353.507 0.980 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494346 846128025 /nfs/dbraw/zinc/12/80/25/846128025.db2.gz KXUQBJKOZRLHNN-TVFCKZIOSA-N 1 3 353.507 0.981 20 0 FCADHO COCCOCCN1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855696 846232034 /nfs/dbraw/zinc/23/20/34/846232034.db2.gz IQRJIVWMXDKQNF-LPHOPBHVSA-N 1 3 353.507 0.962 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111952583 846274543 /nfs/dbraw/zinc/27/45/43/846274543.db2.gz PCUUCKFEAWPJNZ-DEYYWGMASA-N 1 3 350.463 0.104 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111952583 846274547 /nfs/dbraw/zinc/27/45/47/846274547.db2.gz PCUUCKFEAWPJNZ-DEYYWGMASA-N 1 3 350.463 0.104 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112124615 846402730 /nfs/dbraw/zinc/40/27/30/846402730.db2.gz ODXRRVZCWNJCFT-YNEHKIRRSA-N 1 3 369.428 0.703 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112124615 846402737 /nfs/dbraw/zinc/40/27/37/846402737.db2.gz ODXRRVZCWNJCFT-YNEHKIRRSA-N 1 3 369.428 0.703 20 0 FCADHO COC[C@H](O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154725 846422475 /nfs/dbraw/zinc/42/24/75/846422475.db2.gz YWEJWOHLLOGFCP-JHJVBQTASA-N 1 3 367.412 0.314 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211929 846468611 /nfs/dbraw/zinc/46/86/11/846468611.db2.gz DIYJGURTTSJBCF-JHJVBQTASA-N 1 3 355.401 0.313 20 0 FCADHO CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2)C(N)=O ZINC001112401624 846501265 /nfs/dbraw/zinc/50/12/65/846501265.db2.gz OUGHHSGICMOGQO-QOKNQOGYSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112529825 846516112 /nfs/dbraw/zinc/51/61/12/846516112.db2.gz QWGBCFGNQDARGG-BQFCYCMXSA-N 1 3 371.547 0.591 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001112531135 846516451 /nfs/dbraw/zinc/51/64/51/846516451.db2.gz HGZVVLRHOFJDKB-ZOBUZTSGSA-N 1 3 359.536 0.590 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001112529826 846516624 /nfs/dbraw/zinc/51/66/24/846516624.db2.gz QWGBCFGNQDARGG-RYRKJORJSA-N 1 3 371.547 0.591 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112548684 846521339 /nfs/dbraw/zinc/52/13/39/846521339.db2.gz LZMJXNHTRLWOQU-FCEWJHQRSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112586421 846531988 /nfs/dbraw/zinc/53/19/88/846531988.db2.gz YGMWXSKMOUMAIB-FCEWJHQRSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112586051 846532168 /nfs/dbraw/zinc/53/21/68/846532168.db2.gz FEWVEFOXAKDTMY-LPHOPBHVSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001118038976 847258102 /nfs/dbraw/zinc/25/81/02/847258102.db2.gz QKEOLIZQTOMYIB-OAHLLOKOSA-N 1 3 370.563 0.969 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](CC(N)=O)C3)CC2)CC1 ZINC001118377864 847404291 /nfs/dbraw/zinc/40/42/91/847404291.db2.gz FZTWMYUODLSPGV-OAHLLOKOSA-N 1 3 350.507 0.907 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cn1 ZINC001119764985 847968270 /nfs/dbraw/zinc/96/82/70/847968270.db2.gz DJKSHHAGNAALOO-JKSUJKDBSA-N 1 3 350.467 0.508 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)CC1 ZINC001121928025 848419989 /nfs/dbraw/zinc/41/99/89/848419989.db2.gz MAIVPTVUGUORRK-SQNIBIBYSA-N 1 3 352.523 0.677 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001122009387 848433702 /nfs/dbraw/zinc/43/37/02/848433702.db2.gz NUPOFEORUSSYDV-TVFCKZIOSA-N 1 3 352.523 0.676 20 0 FCADHO CC[C@H](C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1)OC ZINC001130047570 848936101 /nfs/dbraw/zinc/93/61/01/848936101.db2.gz IBSDPQLMEFWJJW-OAGGEKHMSA-N 1 3 352.483 0.386 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001130719246 849028471 /nfs/dbraw/zinc/02/84/71/849028471.db2.gz FVIGCVLOZHDSSE-HLLBOEOZSA-N 1 3 351.495 0.681 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1 ZINC001131115248 849080119 /nfs/dbraw/zinc/08/01/19/849080119.db2.gz GIUHXFAXCAIULA-HZPDHXFCSA-N 1 3 351.495 0.682 20 0 FCADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1)N(C)C ZINC001131519012 849117279 /nfs/dbraw/zinc/11/72/79/849117279.db2.gz AMDNCADXWJDSSV-INMHGKMJSA-N 1 3 354.495 0.058 20 0 FCADHO CN(CCN1CC[NH+](C)CC1)Cc1cnc(N2CCN(C)CC2)s1 ZINC001139324088 849337042 /nfs/dbraw/zinc/33/70/42/849337042.db2.gz ZEPPNFHGJDXKEN-UHFFFAOYSA-N 1 3 352.552 0.574 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001142680756 849458331 /nfs/dbraw/zinc/45/83/31/849458331.db2.gz DFUSRFRTINALEZ-JGFGOLAASA-N 1 3 357.495 0.692 20 0 FCADHO CN1CCC[C@@H](CCNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001156381430 849904363 /nfs/dbraw/zinc/90/43/63/849904363.db2.gz QOCNNIVNQTWBCP-ZDUSSCGKSA-N 1 3 367.519 0.712 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241025 850027688 /nfs/dbraw/zinc/02/76/88/850027688.db2.gz QBFXVPLBSPRFOI-QWHCGFSZSA-N 1 3 359.396 0.965 20 0 FCADHO O=C(c1cc2c(s1)CNCC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158284731 850033853 /nfs/dbraw/zinc/03/38/53/850033853.db2.gz BYWCOAKXXQGESQ-UHFFFAOYSA-N 1 3 358.471 0.720 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1csc([C@@H]2CCCN2)n1 ZINC001158506655 850056946 /nfs/dbraw/zinc/05/69/46/850056946.db2.gz PRHXXGPQDSKHCF-AUZPSNTRSA-N 1 3 364.471 0.933 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759548 850072815 /nfs/dbraw/zinc/07/28/15/850072815.db2.gz QGZCNCXCONLQDJ-AWEZNQCLSA-N 1 3 364.519 0.457 20 0 FCADHO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001159127564 850096840 /nfs/dbraw/zinc/09/68/40/850096840.db2.gz TWGVJCJJORZVTQ-ZFWWWQNUSA-N 1 3 350.467 0.092 20 0 FCADHO [NH3+]CCCNCC(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857083 850141402 /nfs/dbraw/zinc/14/14/02/850141402.db2.gz VXWDTYFIJPUAFZ-RDJZCZTQSA-N 1 3 350.438 0.428 20 0 FCADHO O=C(N1CCn2c(Br)cnc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160546502 850180552 /nfs/dbraw/zinc/18/05/52/850180552.db2.gz ZPEWCHWXXGNRPY-QMTHXVAHSA-N 1 3 354.252 0.187 20 0 FCADHO COCCOc1cccc(N2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)c1 ZINC001160942879 850214578 /nfs/dbraw/zinc/21/45/78/850214578.db2.gz FPPGWRWFLCOXQV-KRWDZBQOSA-N 1 3 350.463 0.427 20 0 FCADHO CC1(C)N(C(=O)[C@@H](N)CSCC[NH3+])CC[C@]12c1ccccc1OC2=O ZINC001161162611 850236440 /nfs/dbraw/zinc/23/64/40/850236440.db2.gz FMFVCBOCEDAMPM-SCLBCKFNSA-N 1 3 363.483 0.874 20 0 FCADHO CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)N)C[C@@H]2C1 ZINC001161175458 850236935 /nfs/dbraw/zinc/23/69/35/850236935.db2.gz MFJYCBOISBEUMU-AJNGGQMLSA-N 1 3 352.479 0.097 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245759 850242718 /nfs/dbraw/zinc/24/27/18/850242718.db2.gz FYGYKBQKIBNBOI-WFGGJUAMSA-N 1 3 362.515 0.497 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245757 850243528 /nfs/dbraw/zinc/24/35/28/850243528.db2.gz FYGYKBQKIBNBOI-QCQGSNGOSA-N 1 3 362.515 0.497 20 0 FCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380336 850255602 /nfs/dbraw/zinc/25/56/02/850255602.db2.gz URFBMXZQSJZSFI-HUUCEWRRSA-N 1 3 354.495 0.460 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376753 850256082 /nfs/dbraw/zinc/25/60/82/850256082.db2.gz CUEZOXHEGSBPKI-GJZGRUSLSA-N 1 3 354.495 0.330 20 0 FCADHO C[C@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@@H]1CNCCO1 ZINC001170577130 850659311 /nfs/dbraw/zinc/65/93/11/850659311.db2.gz YENMWRATLAKFOE-GUYCJALGSA-N 1 3 368.503 0.506 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@H]3CCCOCC3)CC2)C1=O ZINC001170822500 850666028 /nfs/dbraw/zinc/66/60/28/850666028.db2.gz SDWVTCPQDRPUOB-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO CCOC(=O)CN(CC[NH3+])c1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001170993099 850672993 /nfs/dbraw/zinc/67/29/93/850672993.db2.gz XXGMODYOJVRVAQ-UHFFFAOYSA-N 1 3 351.451 0.853 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173570879 850728098 /nfs/dbraw/zinc/72/80/98/850728098.db2.gz RMTONFGJHMYOSY-BITGBVICSA-N 1 3 354.447 0.698 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178735924 850922552 /nfs/dbraw/zinc/92/25/52/850922552.db2.gz KQBHFWLDZIIIOP-QSPRXWTASA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178735924 850922558 /nfs/dbraw/zinc/92/25/58/850922558.db2.gz KQBHFWLDZIIIOP-QSPRXWTASA-N 1 3 350.507 0.917 20 0 FCADHO C[N@@H+]1CCC[C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001186363524 851428263 /nfs/dbraw/zinc/42/82/63/851428263.db2.gz ANWQISUBPCOINK-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001186363524 851428267 /nfs/dbraw/zinc/42/82/67/851428267.db2.gz ANWQISUBPCOINK-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO C[NH+](C)CCN1C[C@H]2CN(CC3CCC4(CC3)OCCO4)C[C@@H](C1)O2 ZINC001278232235 862265911 /nfs/dbraw/zinc/26/59/11/862265911.db2.gz RGNOCPZUTZILAA-HDICACEKSA-N 1 3 353.507 0.866 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193728687 852478442 /nfs/dbraw/zinc/47/84/42/852478442.db2.gz RBRSMRULEDBOJV-KZNAEPCWSA-N 1 3 355.523 0.942 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001193728687 852478446 /nfs/dbraw/zinc/47/84/46/852478446.db2.gz RBRSMRULEDBOJV-KZNAEPCWSA-N 1 3 355.523 0.942 20 0 FCADHO CN1CCN(c2ccc(C(=O)N(CCCC[NH3+])C(=N)N)c(F)c2)CC1 ZINC001194542437 852612758 /nfs/dbraw/zinc/61/27/58/852612758.db2.gz PTLXLMNJTDVUFE-UHFFFAOYSA-N 1 3 350.442 0.652 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)CCCC1 ZINC001195005673 852690902 /nfs/dbraw/zinc/69/09/02/852690902.db2.gz AHUFKNOGIUVNOQ-GVDBMIGSSA-N 1 3 353.507 0.839 20 0 FCADHO CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC001196637351 852990882 /nfs/dbraw/zinc/99/08/82/852990882.db2.gz KNAUBAGCRFJYOG-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319701 853097492 /nfs/dbraw/zinc/09/74/92/853097492.db2.gz PRQJLWQIBLOVMI-IAGOWNOFSA-N 1 3 357.495 0.075 20 0 FCADHO C=CS(=O)(=O)N1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001198600935 853291429 /nfs/dbraw/zinc/29/14/29/853291429.db2.gz PNIHSPXQDNQCSI-UHFFFAOYSA-N 1 3 356.536 0.636 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC001199018494 853356561 /nfs/dbraw/zinc/35/65/61/853356561.db2.gz ZTDTZSGXTYCXOY-KZNAEPCWSA-N 1 3 353.507 0.983 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001199370591 853414343 /nfs/dbraw/zinc/41/43/43/853414343.db2.gz ZPXMHNKZOQYING-RCCFBDPRSA-N 1 3 353.507 0.840 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200554342 853502025 /nfs/dbraw/zinc/50/20/25/853502025.db2.gz IXJAEANQAKOYKD-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001200554342 853502033 /nfs/dbraw/zinc/50/20/33/853502033.db2.gz IXJAEANQAKOYKD-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205513131 853619165 /nfs/dbraw/zinc/61/91/65/853619165.db2.gz BKDBQRYLNORSPE-DLBZAZTESA-N 1 3 353.507 0.650 20 0 FCADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC001207280103 853796377 /nfs/dbraw/zinc/79/63/77/853796377.db2.gz ODUWGVMWNASSNQ-UHFFFAOYSA-N 1 3 361.552 0.948 20 0 FCADHO COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036470 853884763 /nfs/dbraw/zinc/88/47/63/853884763.db2.gz MCNWQJCBUPMJRT-LDBBTLTOSA-N 1 3 351.491 0.713 20 0 FCADHO COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036470 853884765 /nfs/dbraw/zinc/88/47/65/853884765.db2.gz MCNWQJCBUPMJRT-LDBBTLTOSA-N 1 3 351.491 0.713 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070073 853890475 /nfs/dbraw/zinc/89/04/75/853890475.db2.gz CKTWEFFOAAQJTK-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070073 853890480 /nfs/dbraw/zinc/89/04/80/853890480.db2.gz CKTWEFFOAAQJTK-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293363 854430094 /nfs/dbraw/zinc/43/00/94/854430094.db2.gz IRRZJACHORHFMF-KZNAEPCWSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NC(C)(C)C ZINC001214643436 854985459 /nfs/dbraw/zinc/98/54/59/854985459.db2.gz QKJKTCLCVUFBDW-FVQBIDKESA-N 1 3 350.507 0.679 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001214754917 855002723 /nfs/dbraw/zinc/00/27/23/855002723.db2.gz LIPNUNLFYRLSGF-BZUAXINKSA-N 1 3 356.486 0.725 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214847942 855022267 /nfs/dbraw/zinc/02/22/67/855022267.db2.gz ZQBBEWZNRVDOKY-HUUCEWRRSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001215413798 855112349 /nfs/dbraw/zinc/11/23/49/855112349.db2.gz NOSYKEIGPWEKHC-IIAWOOMASA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001215421631 855112865 /nfs/dbraw/zinc/11/28/65/855112865.db2.gz JXWXGTVZUGNNCO-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H](O)COCC(F)(F)F ZINC001215681418 855135534 /nfs/dbraw/zinc/13/55/34/855135534.db2.gz YHKJXXHMAJSXIA-KGYLQXTDSA-N 1 3 364.368 0.329 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOC[C@@H]1CCCCO1 ZINC001215685156 855136582 /nfs/dbraw/zinc/13/65/82/855136582.db2.gz NNGYMRLTUTZOMK-HYVNUMGLSA-N 1 3 350.463 0.974 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001215998813 855163816 /nfs/dbraw/zinc/16/38/16/855163816.db2.gz CLOMOCBQCCQDHI-HUUCEWRRSA-N 1 3 362.540 0.094 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216002260 855164266 /nfs/dbraw/zinc/16/42/66/855164266.db2.gz QBTJAYQTZYUGCM-CHWSQXEVSA-N 1 3 366.428 0.785 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001215998943 855164350 /nfs/dbraw/zinc/16/43/50/855164350.db2.gz IXYWTZAOTHFUPI-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327194 855192051 /nfs/dbraw/zinc/19/20/51/855192051.db2.gz NOGYXSJKOZFHQO-CKEIUWERSA-N 1 3 350.507 0.679 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001216499775 855208106 /nfs/dbraw/zinc/20/81/06/855208106.db2.gz RVPUHNMZJVOXRR-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001216830092 855252755 /nfs/dbraw/zinc/25/27/55/855252755.db2.gz KKKSGJMSPIPZPN-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC1CC2(C1)CC[NH2+]C2 ZINC001218061835 855393864 /nfs/dbraw/zinc/39/38/64/855393864.db2.gz YGGFFVAASYXBPX-UHFFFAOYSA-N 1 3 350.419 0.282 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218113659 855398826 /nfs/dbraw/zinc/39/88/26/855398826.db2.gz CLZVQPOFOSOLGH-BMLIUANNSA-N 1 3 350.419 0.282 20 0 FCADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2nccc(Cl)c2I)C1 ZINC001218529647 855435244 /nfs/dbraw/zinc/43/52/44/855435244.db2.gz MBHAUFRPHLJEEW-VDTYLAMSSA-N 1 3 366.590 0.967 20 0 FCADHO CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218894405 855493124 /nfs/dbraw/zinc/49/31/24/855493124.db2.gz PIXHONVEZYMQEZ-OAHLLOKOSA-N 1 3 354.476 0.639 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280777 855615531 /nfs/dbraw/zinc/61/55/31/855615531.db2.gz LUIIEYYIJKQREF-ZDUSSCGKSA-N 1 3 352.410 0.773 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567572 855717578 /nfs/dbraw/zinc/71/75/78/855717578.db2.gz PBKAAPFIGNCJKK-KRWDZBQOSA-N 1 3 350.463 0.080 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743771 855794965 /nfs/dbraw/zinc/79/49/65/855794965.db2.gz LRQUMHAMCDEIAL-KBPBESRZSA-N 1 3 355.479 0.724 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)cc1 ZINC001219831468 855835806 /nfs/dbraw/zinc/83/58/06/855835806.db2.gz MCODWSRMBLKBSL-SIXLDLHFSA-N 1 3 365.499 0.749 20 0 FCADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc([C@H]2CCCN2)n1 ZINC001219837858 855839520 /nfs/dbraw/zinc/83/95/20/855839520.db2.gz MKSZXFVDJGHBNN-XNJGSVPQSA-N 1 3 366.487 0.693 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039698 855929480 /nfs/dbraw/zinc/92/94/80/855929480.db2.gz PAHYRRVQDILZKA-OTAFGISCSA-N 1 3 361.508 0.180 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC001220200133 856005994 /nfs/dbraw/zinc/00/59/94/856005994.db2.gz BHSHRADMBVIEMO-HNNXBMFYSA-N 1 3 357.495 0.923 20 0 FCADHO O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220396798 856105423 /nfs/dbraw/zinc/10/54/23/856105423.db2.gz MJEXKQGYKKDNTN-GFCCVEGCSA-N 1 3 359.817 0.633 20 0 FCADHO O=C(Nc1cc(Cl)nn(-c2ccccc2)c1=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220396799 856105493 /nfs/dbraw/zinc/10/54/93/856105493.db2.gz MJEXKQGYKKDNTN-LBPRGKRZSA-N 1 3 359.817 0.633 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889339 856360269 /nfs/dbraw/zinc/36/02/69/856360269.db2.gz IYMZOLXMXDYYSC-AVGNSLFASA-N 1 3 362.565 0.173 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928317 856378011 /nfs/dbraw/zinc/37/80/11/856378011.db2.gz KWSDPEQDTQTHOP-HNNXBMFYSA-N 1 3 365.503 0.069 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037326 856432720 /nfs/dbraw/zinc/43/27/20/856432720.db2.gz QKFBOVQUWLOZGP-MQIPJXDCSA-N 1 3 350.438 0.835 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001221081399 856452871 /nfs/dbraw/zinc/45/28/71/856452871.db2.gz JSWDCJTZGWJSMT-SQNIBIBYSA-N 1 3 353.507 0.839 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221254402 856531378 /nfs/dbraw/zinc/53/13/78/856531378.db2.gz OCTFXDSWNJTIAT-AJNGGQMLSA-N 1 3 358.552 0.666 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254402 856531386 /nfs/dbraw/zinc/53/13/86/856531386.db2.gz OCTFXDSWNJTIAT-AJNGGQMLSA-N 1 3 358.552 0.666 20 0 FCADHO Cn1ncc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(Br)c1=O ZINC001221402130 856559286 /nfs/dbraw/zinc/55/92/86/856559286.db2.gz VROOSAYCPOVIPA-VIFPVBQESA-N 1 3 360.256 0.541 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4[C@H](O)CC[C@@H]4C3)CC2)CC1 ZINC001225651705 857052504 /nfs/dbraw/zinc/05/25/04/857052504.db2.gz KGKYMHACUCMZCX-FHLIZLRMSA-N 1 3 350.507 0.957 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226162285 857086256 /nfs/dbraw/zinc/08/62/56/857086256.db2.gz YXTJYKPLBVYYDN-MGPQQGTHSA-N 1 3 353.467 0.071 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001226801486 857126806 /nfs/dbraw/zinc/12/68/06/857126806.db2.gz YMVQTKPKQLIIJW-NUJGCVRESA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O)N(C)C ZINC001228661460 857221365 /nfs/dbraw/zinc/22/13/65/857221365.db2.gz VBDLSPXAPXABAX-ZACQAIPSSA-N 1 3 356.511 0.496 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229214349 857259126 /nfs/dbraw/zinc/25/91/26/857259126.db2.gz PLBARLKWCQWXDM-BRWVUGGUSA-N 1 3 351.495 0.603 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001229229500 857259545 /nfs/dbraw/zinc/25/95/45/857259545.db2.gz BASBLSONZZHKLD-ARFHVFGLSA-N 1 3 359.536 0.780 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)C1 ZINC001229692055 857281670 /nfs/dbraw/zinc/28/16/70/857281670.db2.gz DEDPXSATQBJCEJ-GVDBMIGSSA-N 1 3 350.507 0.871 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)C1 ZINC001229692055 857281675 /nfs/dbraw/zinc/28/16/75/857281675.db2.gz DEDPXSATQBJCEJ-GVDBMIGSSA-N 1 3 350.507 0.871 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2c(c1)OCCO2 ZINC001238239583 857464863 /nfs/dbraw/zinc/46/48/63/857464863.db2.gz DVYBEKIEPAKNOV-CYBMUJFWSA-N 1 3 367.471 0.610 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2c(c1)OCCO2 ZINC001238239583 857464867 /nfs/dbraw/zinc/46/48/67/857464867.db2.gz DVYBEKIEPAKNOV-CYBMUJFWSA-N 1 3 367.471 0.610 20 0 FCADHO COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238242144 857465429 /nfs/dbraw/zinc/46/54/29/857465429.db2.gz MRKPSNXLZVKEHJ-CQSZACIVSA-N 1 3 367.471 0.626 20 0 FCADHO COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238242144 857465433 /nfs/dbraw/zinc/46/54/33/857465433.db2.gz MRKPSNXLZVKEHJ-CQSZACIVSA-N 1 3 367.471 0.626 20 0 FCADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)CCN)C[C@H]21 ZINC001239083745 857511917 /nfs/dbraw/zinc/51/19/17/857511917.db2.gz HDAXTUWMBGPKHQ-DJIMGWMZSA-N 1 3 352.504 0.902 20 0 FCADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)CCN)C[C@H]21 ZINC001239083745 857511924 /nfs/dbraw/zinc/51/19/24/857511924.db2.gz HDAXTUWMBGPKHQ-DJIMGWMZSA-N 1 3 352.504 0.902 20 0 FCADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977949 857562256 /nfs/dbraw/zinc/56/22/56/857562256.db2.gz YITJYFSEQCHSAJ-FHLIZLRMSA-N 1 3 356.438 0.866 20 0 FCADHO COC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001245986096 857562784 /nfs/dbraw/zinc/56/27/84/857562784.db2.gz UXPCCBUPNAUNDY-HRCADAONSA-N 1 3 359.417 0.456 20 0 FCADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)CCN1 ZINC001246021989 857564338 /nfs/dbraw/zinc/56/43/38/857564338.db2.gz YLXVCUSSGVANKP-YHUYYLMFSA-N 1 3 357.401 0.079 20 0 FCADHO CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@H]1CCCN(C)CC1 ZINC001254522736 857977021 /nfs/dbraw/zinc/97/70/21/857977021.db2.gz PPCHDHLJLNKVQX-NXOAAHMSSA-N 1 3 359.536 0.889 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622409 858093418 /nfs/dbraw/zinc/09/34/18/858093418.db2.gz ANQGQABRKOTHKE-DCOKWWAQSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622409 858093427 /nfs/dbraw/zinc/09/34/27/858093427.db2.gz ANQGQABRKOTHKE-DCOKWWAQSA-N 1 3 351.491 0.998 20 0 FCADHO C[C@@H](Cc1cccs1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001258084044 858176995 /nfs/dbraw/zinc/17/69/95/858176995.db2.gz XASABKMTNIVLJY-AWEZNQCLSA-N 1 3 354.520 0.747 20 0 FCADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)CC(=O)OC ZINC001259022841 858229782 /nfs/dbraw/zinc/22/97/82/858229782.db2.gz JDDYQHIQIPBPHN-UHFFFAOYSA-N 1 3 351.513 0.475 20 0 FCADHO C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1)N1CCCC1 ZINC001270490662 859771062 /nfs/dbraw/zinc/77/10/62/859771062.db2.gz PSPIDCKZDOBGKZ-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN2C(=O)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001271658689 859988628 /nfs/dbraw/zinc/98/86/28/859988628.db2.gz TZPVTWBFJPVMPD-APWZRJJASA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN2C(=O)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658689 859988633 /nfs/dbraw/zinc/98/86/33/859988633.db2.gz TZPVTWBFJPVMPD-APWZRJJASA-N 1 3 350.507 0.873 20 0 FCADHO CC[NH+](CC)CCC(=O)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001272642939 860215888 /nfs/dbraw/zinc/21/58/88/860215888.db2.gz RDHZRKRQNPDJIY-SFHVURJKSA-N 1 3 354.495 0.110 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)N1CCCC1 ZINC001273500746 860510018 /nfs/dbraw/zinc/51/00/18/860510018.db2.gz HMHYCJHWZVMTFX-IEBWSBKVSA-N 1 3 352.523 0.726 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)[C@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273834981 860614163 /nfs/dbraw/zinc/61/41/63/860614163.db2.gz JVBOLWHEHGAZEH-BBWFWOEESA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273834981 860614166 /nfs/dbraw/zinc/61/41/66/860614166.db2.gz JVBOLWHEHGAZEH-BBWFWOEESA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2CC1 ZINC001274041343 860665503 /nfs/dbraw/zinc/66/55/03/860665503.db2.gz DCHIXWUIYMZTRD-CALCHBBNSA-N 1 3 352.523 0.977 20 0 FCADHO CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275097213 860931391 /nfs/dbraw/zinc/93/13/91/860931391.db2.gz ARWYWRUUUPORMG-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO CCC[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275097213 860931401 /nfs/dbraw/zinc/93/14/01/860931401.db2.gz ARWYWRUUUPORMG-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001275511920 861118208 /nfs/dbraw/zinc/11/82/08/861118208.db2.gz OBRGFZQDBNGYRR-ARFHVFGLSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001275511920 861118216 /nfs/dbraw/zinc/11/82/16/861118216.db2.gz OBRGFZQDBNGYRR-ARFHVFGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H](C)N1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001350908094 866728149 /nfs/dbraw/zinc/72/81/49/866728149.db2.gz JKQCZFPMXWURON-OAHLLOKOSA-N 1 3 350.511 0.907 20 0 FCADHO CN(C)CC[C@@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879785 867684411 /nfs/dbraw/zinc/68/44/11/867684411.db2.gz OCXDVPHXMOSHOY-OYLFLEFRSA-N 1 3 352.504 0.691 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC001325386490 869871330 /nfs/dbraw/zinc/87/13/30/869871330.db2.gz RGCFCRZINOAQFU-DZGCQCFKSA-N 1 3 354.495 0.548 20 0 FCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC001326968843 870595444 /nfs/dbraw/zinc/59/54/44/870595444.db2.gz OKGSLTSCFLLYLU-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CCn1ccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC001326990121 870605179 /nfs/dbraw/zinc/60/51/79/870605179.db2.gz DHFDIEYRDLULNV-UHFFFAOYSA-N 1 3 351.495 0.418 20 0 FCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001344214067 870771536 /nfs/dbraw/zinc/77/15/36/870771536.db2.gz FUFIIADTRCMXGP-NQNKBUKLSA-N 1 3 352.523 0.924 20 0 FCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001344214067 870771545 /nfs/dbraw/zinc/77/15/45/870771545.db2.gz FUFIIADTRCMXGP-NQNKBUKLSA-N 1 3 352.523 0.924 20 0 FCADHO [NH3+]CCCOC1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001327472357 870893532 /nfs/dbraw/zinc/89/35/32/870893532.db2.gz QEVXIZXJFSDEOG-INIZCTEOSA-N 1 3 354.495 0.779 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327522050 870922406 /nfs/dbraw/zinc/92/24/06/870922406.db2.gz YYIYWGGNQJHPED-INIZCTEOSA-N 1 3 350.507 0.827 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1)N(C)C ZINC001345136888 871204808 /nfs/dbraw/zinc/20/48/08/871204808.db2.gz XJZTXOPODNCSNZ-IKGGRYGDSA-N 1 3 352.523 0.975 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)N(CCOC)CCN(C)C)CC1 ZINC001328383656 871398709 /nfs/dbraw/zinc/39/87/09/871398709.db2.gz CSSZCFRPUBEMCF-UHFFFAOYSA-N 1 3 356.511 0.356 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328846844 871663309 /nfs/dbraw/zinc/66/33/09/871663309.db2.gz VSSWOARTYBUQSC-RCCFBDPRSA-N 1 3 352.523 0.759 20 0 FCADHO CN(C)C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704046 871967253 /nfs/dbraw/zinc/96/72/53/871967253.db2.gz WQKFNBBDQCIPMV-HOTGVXAUSA-N 1 3 350.438 0.803 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001348480053 872708912 /nfs/dbraw/zinc/70/89/12/872708912.db2.gz FJSOAQCQGOPGCA-SFHVURJKSA-N 1 3 352.523 0.485 20 0 FCADHO COCC(C)(C)N1CCN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001348664103 872756673 /nfs/dbraw/zinc/75/66/73/872756673.db2.gz LSONFUUICSWWDB-MRXNPFEDSA-N 1 3 355.527 0.375 20 0 FCADHO CN1CCN(C2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC001348700894 872770238 /nfs/dbraw/zinc/77/02/38/872770238.db2.gz JRXYBGGNKBEXFJ-ZDUSSCGKSA-N 1 3 351.417 0.688 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N(C)C3CC3)CC2)CC[N@@H+]1C ZINC001331028074 872921023 /nfs/dbraw/zinc/92/10/23/872921023.db2.gz BHAGGHBTENSQFW-RHSMWYFYSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N(C)C3CC3)CC2)CC[N@H+]1C ZINC001331028074 872921040 /nfs/dbraw/zinc/92/10/40/872921040.db2.gz BHAGGHBTENSQFW-RHSMWYFYSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119787 872967816 /nfs/dbraw/zinc/96/78/16/872967816.db2.gz PXTJMZKWAJSQCG-NNXHMXCWSA-N 1 3 350.507 0.870 20 0 FCADHO CN(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000291900622 214063282 /nfs/dbraw/zinc/06/32/82/214063282.db2.gz PVOZGGKYHHECMI-WBVHZDCISA-N 1 3 364.465 0.955 20 0 FCADHO CNC(=O)CCN(C)Cc1cc(C[N@H+](C)CCC(=O)NC)cc(OC)c1 ZINC000292722709 214118997 /nfs/dbraw/zinc/11/89/97/214118997.db2.gz UQQYLEQLCWJQFA-UHFFFAOYSA-N 1 3 364.490 0.831 20 0 FCADHO CNC(=O)CCN(C)Cc1cc(C[N@@H+](C)CCC(=O)NC)cc(OC)c1 ZINC000292722709 214119000 /nfs/dbraw/zinc/11/90/00/214119000.db2.gz UQQYLEQLCWJQFA-UHFFFAOYSA-N 1 3 364.490 0.831 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1=CCN(C)CC1 ZINC000331536834 215011550 /nfs/dbraw/zinc/01/15/50/215011550.db2.gz DRBYDSYCHOJNHG-YJBOKZPZSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331570990 215017548 /nfs/dbraw/zinc/01/75/48/215017548.db2.gz VLIMJDPUXYKLDY-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331570990 215017550 /nfs/dbraw/zinc/01/75/50/215017550.db2.gz VLIMJDPUXYKLDY-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333486564 215288358 /nfs/dbraw/zinc/28/83/58/215288358.db2.gz CSXPPMHKRSFDRQ-AWEZNQCLSA-N 1 3 365.444 0.948 20 0 FCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)CC1 ZINC000333530396 215293724 /nfs/dbraw/zinc/29/37/24/215293724.db2.gz MCUPKPXXESSNGR-QGZVFWFLSA-N 1 3 353.511 0.175 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000333761611 215316300 /nfs/dbraw/zinc/31/63/00/215316300.db2.gz ANRVKPSZBQRWRH-JKSUJKDBSA-N 1 3 351.495 0.452 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333891211 215328890 /nfs/dbraw/zinc/32/88/90/215328890.db2.gz GYPSVWQWIMIKJC-MWDXBVQZSA-N 1 3 363.506 0.323 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000283851099 213019337 /nfs/dbraw/zinc/01/93/37/213019337.db2.gz BGXBGDBVXFUCKX-UHFFFAOYSA-N 1 3 360.502 0.830 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000283842277 213016871 /nfs/dbraw/zinc/01/68/71/213016871.db2.gz BGJKANMLVVSNKP-UHFFFAOYSA-N 1 3 364.465 0.926 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c2ccccc2O1 ZINC000366173956 215943003 /nfs/dbraw/zinc/94/30/03/215943003.db2.gz NHMQRVYTSDYJBH-HZPDHXFCSA-N 1 3 374.485 0.752 20 0 FCADHO C[C@H](CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CC[NH2+]CC1 ZINC000237543641 209353488 /nfs/dbraw/zinc/35/34/88/209353488.db2.gz RWIDRGASZNDAAF-CQSZACIVSA-N 1 3 364.494 0.525 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCCNC3=O)CC2)CC1 ZINC000195342240 209337496 /nfs/dbraw/zinc/33/74/96/209337496.db2.gz YBAVDWQXZULGMT-MRXNPFEDSA-N 1 3 351.495 0.513 20 0 FCADHO NC(=O)[C@H]1[C@@H]2CCC[C@H]2CN1CCCC[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327592 /nfs/dbraw/zinc/32/75/92/216327592.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@H]1[C@@H]2CCC[C@H]2CN1CCCC[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327594 /nfs/dbraw/zinc/32/75/94/216327594.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCCN1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327596 /nfs/dbraw/zinc/32/75/96/216327596.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCCCN1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975681 216327597 /nfs/dbraw/zinc/32/75/97/216327597.db2.gz SATIWXSYMVXFFX-NWCWSAAOSA-N 1 3 362.518 0.938 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(=O)N(CC4CC4)C3)CC2)CC1 ZINC000369310956 216382962 /nfs/dbraw/zinc/38/29/62/216382962.db2.gz CWWCWNUZQIPJJH-UHFFFAOYSA-N 1 3 363.506 0.766 20 0 FCADHO C[NH+](C)CCn1c2cc(NC(=O)c3n[nH]c4c3CNCC4)ccc2oc1=O ZINC000188749061 209239264 /nfs/dbraw/zinc/23/92/64/209239264.db2.gz VPGSLHQRNRPOLV-UHFFFAOYSA-N 1 3 370.413 0.777 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122892 209224213 /nfs/dbraw/zinc/22/42/13/209224213.db2.gz QJDILPBXNNZDFA-APWZRJJASA-N 1 3 354.539 0.909 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000187467630 209212746 /nfs/dbraw/zinc/21/27/46/209212746.db2.gz PMGFGWAQTDRTMD-UHFFFAOYSA-N 1 3 361.490 0.787 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000187467630 209212747 /nfs/dbraw/zinc/21/27/47/209212747.db2.gz PMGFGWAQTDRTMD-UHFFFAOYSA-N 1 3 361.490 0.787 20 0 FCADHO CN1CCC([NH+]2CCC(NC(=O)NCCN3CCCOCC3)CC2)CC1 ZINC000187090543 209203608 /nfs/dbraw/zinc/20/36/08/209203608.db2.gz QQVRQHAKDBOIHE-UHFFFAOYSA-N 1 3 367.538 0.567 20 0 FCADHO Cc1nc2sccn2c(=O)c1CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931482126 674116933 /nfs/dbraw/zinc/11/69/33/674116933.db2.gz PJKYCHAOPSSEKJ-UHFFFAOYSA-N 1 3 350.488 0.995 20 0 FCADHO COC(=O)/C=C1/SCC(=O)N1CCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481681 674116937 /nfs/dbraw/zinc/11/69/37/674116937.db2.gz RBMNZNJCVVLQGK-RVDMUPIBSA-N 1 3 371.503 0.355 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414809026 245324389 /nfs/dbraw/zinc/32/43/89/245324389.db2.gz FXKHHFFSVVTAPT-UHFFFAOYSA-N 1 3 364.446 0.144 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414942741 245336987 /nfs/dbraw/zinc/33/69/87/245336987.db2.gz MWWIHBLBCAWTGO-KRWDZBQOSA-N 1 3 362.474 0.744 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)c(C)c2)CC1 ZINC000415293863 245378992 /nfs/dbraw/zinc/37/89/92/245378992.db2.gz DXNXHJYUEZCVMU-INIZCTEOSA-N 1 3 373.501 0.896 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc2c(s1)CCC2 ZINC000931581536 674120868 /nfs/dbraw/zinc/12/08/68/674120868.db2.gz NQOQJCWGNAFYGX-UHFFFAOYSA-N 1 3 367.519 0.200 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1=O ZINC000374398668 217124437 /nfs/dbraw/zinc/12/44/37/217124437.db2.gz KNMVFWMISZBUJO-LTIDMASMSA-N 1 3 366.506 0.107 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000419153757 246019381 /nfs/dbraw/zinc/01/93/81/246019381.db2.gz QGCNDZUGUSMCRD-GOEBONIOSA-N 1 3 362.474 0.439 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419153382 246019879 /nfs/dbraw/zinc/01/98/79/246019879.db2.gz PSERJIBUKBAKEI-ZBFHGGJFSA-N 1 3 360.458 0.064 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419151143 246020673 /nfs/dbraw/zinc/02/06/73/246020673.db2.gz NDHSEYHILGBUGC-ZIAGYGMSSA-N 1 3 350.488 0.636 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419131083 246007666 /nfs/dbraw/zinc/00/76/66/246007666.db2.gz CBPXZAIXWNOLLP-HOTGVXAUSA-N 1 3 362.474 0.629 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419132325 246007945 /nfs/dbraw/zinc/00/79/45/246007945.db2.gz HHQXWRVKOULNRJ-MJBXVCDLSA-N 1 3 356.511 0.698 20 0 FCADHO O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419136147 246010784 /nfs/dbraw/zinc/01/07/84/246010784.db2.gz ORUDPZOPYOYBOM-AWEZNQCLSA-N 1 3 350.488 0.554 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419146090 246015457 /nfs/dbraw/zinc/01/54/57/246015457.db2.gz HLRQEZNWVYUESP-HRCADAONSA-N 1 3 354.495 0.188 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419148729 246017945 /nfs/dbraw/zinc/01/79/45/246017945.db2.gz KKFHMWRULIWIIO-IBGZPJMESA-N 1 3 362.474 0.441 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419166898 246031262 /nfs/dbraw/zinc/03/12/62/246031262.db2.gz HZKLRNJRXMTCMF-QFBILLFUSA-N 1 3 350.507 0.969 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000419182647 246040010 /nfs/dbraw/zinc/04/00/10/246040010.db2.gz CSSLPXDTKYICCR-APWZRJJASA-N 1 3 370.497 0.896 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419217834 246061260 /nfs/dbraw/zinc/06/12/60/246061260.db2.gz RHSVFZNYFAYWJS-INIZCTEOSA-N 1 3 350.463 0.343 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419225456 246065506 /nfs/dbraw/zinc/06/55/06/246065506.db2.gz HBQNBHJRRBVQDW-BPQIPLTHSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419199607 246048960 /nfs/dbraw/zinc/04/89/60/246048960.db2.gz DTWRNWHQVMGWFS-ZBFHGGJFSA-N 1 3 362.474 0.439 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000419201811 246051442 /nfs/dbraw/zinc/05/14/42/246051442.db2.gz GNWHILYZNCMGIJ-CVEARBPZSA-N 1 3 362.474 0.629 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419374813 246122267 /nfs/dbraw/zinc/12/22/67/246122267.db2.gz PIZMXPYJUHTSIY-CRAIPNDOSA-N 1 3 372.513 0.930 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419370724 246122764 /nfs/dbraw/zinc/12/27/64/246122764.db2.gz HRRMIGNEDIXEMX-HNNXBMFYSA-N 1 3 358.486 0.270 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000419376051 246124480 /nfs/dbraw/zinc/12/44/80/246124480.db2.gz RKRZWXKBBGHRIW-KRWDZBQOSA-N 1 3 358.486 0.542 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419378513 246124507 /nfs/dbraw/zinc/12/45/07/246124507.db2.gz VSBVGKUGEXSNIJ-SJORKVTESA-N 1 3 352.523 0.975 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N(C)C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419377122 246125601 /nfs/dbraw/zinc/12/56/01/246125601.db2.gz SXDBNRTVGSGTRG-UHFFFAOYSA-N 1 3 358.486 0.412 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCO1 ZINC000419417022 246150317 /nfs/dbraw/zinc/15/03/17/246150317.db2.gz HPROIHAXEHDVIT-ROUUACIJSA-N 1 3 374.485 0.516 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000419416555 246150396 /nfs/dbraw/zinc/15/03/96/246150396.db2.gz WIJJIOXEHACVAX-DLBZAZTESA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000419416555 246150401 /nfs/dbraw/zinc/15/04/01/246150401.db2.gz WIJJIOXEHACVAX-DLBZAZTESA-N 1 3 368.522 0.722 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000419407949 246140884 /nfs/dbraw/zinc/14/08/84/246140884.db2.gz LALSANCJYGWWLP-NVXWUHKLSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419411927 246144376 /nfs/dbraw/zinc/14/43/76/246144376.db2.gz CDMUDLCLSWDKLB-RBUKOAKNSA-N 1 3 370.497 0.619 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419424426 246157039 /nfs/dbraw/zinc/15/70/39/246157039.db2.gz OAAQIZBNLYOBBX-MRXNPFEDSA-N 1 3 358.486 0.667 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000419433964 246161322 /nfs/dbraw/zinc/16/13/22/246161322.db2.gz ZUIVLPBKBWLYDI-QGZVFWFLSA-N 1 3 360.502 0.911 20 0 FCADHO [NH3+]C1CCC(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000419419332 246152142 /nfs/dbraw/zinc/15/21/42/246152142.db2.gz JGOIITWRSIFMKZ-UHFFFAOYSA-N 1 3 358.486 0.937 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419530359 246192667 /nfs/dbraw/zinc/19/26/67/246192667.db2.gz ZCAQLUFECJGZSH-RDJZCZTQSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000419650362 246231713 /nfs/dbraw/zinc/23/17/13/246231713.db2.gz CVDMDZNQPPPXCI-NQYYFHDYSA-N 1 3 370.497 0.976 20 0 FCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419653488 246231790 /nfs/dbraw/zinc/23/17/90/246231790.db2.gz QWMHQNOCULAUTB-ZBFHGGJFSA-N 1 3 362.474 0.418 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](CN)C1 ZINC000419670312 246238573 /nfs/dbraw/zinc/23/85/73/246238573.db2.gz WSUSSNSDUICDQD-LSDHHAIUSA-N 1 3 354.495 0.189 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1)C1CCCC1 ZINC000419680847 246247013 /nfs/dbraw/zinc/24/70/13/246247013.db2.gz HSDRRTCKOLIKKS-MRXNPFEDSA-N 1 3 366.506 0.381 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000419699265 246257310 /nfs/dbraw/zinc/25/73/10/246257310.db2.gz VZBOOSAOTZORCE-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@@H](CN)C1 ZINC000419717848 246267940 /nfs/dbraw/zinc/26/79/40/246267940.db2.gz VHPAKOUJRTWIMB-ARFHVFGLSA-N 1 3 354.495 0.332 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CCCC2)CC1 ZINC000419753287 246284196 /nfs/dbraw/zinc/28/41/96/246284196.db2.gz NRNOWXLAZHFZPH-INIZCTEOSA-N 1 3 366.506 0.380 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])CCCC2)CC1 ZINC000419759978 246288621 /nfs/dbraw/zinc/28/86/21/246288621.db2.gz YVMVQVJKBYIQIU-OAHLLOKOSA-N 1 3 366.506 0.476 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419768660 246290503 /nfs/dbraw/zinc/29/05/03/246290503.db2.gz DACMQGRNUVCVIX-BFHYXJOUSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419768660 246290508 /nfs/dbraw/zinc/29/05/08/246290508.db2.gz DACMQGRNUVCVIX-BFHYXJOUSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419768660 246290511 /nfs/dbraw/zinc/29/05/11/246290511.db2.gz DACMQGRNUVCVIX-BFHYXJOUSA-N 1 3 354.495 0.452 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419771518 246291668 /nfs/dbraw/zinc/29/16/68/246291668.db2.gz XSOHOMBHNVKKCX-QZTJIDSGSA-N 1 3 358.486 0.867 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419773586 246294249 /nfs/dbraw/zinc/29/42/49/246294249.db2.gz ZSDNZLLOEBSJGD-QZTJIDSGSA-N 1 3 358.486 0.881 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000419871144 246338760 /nfs/dbraw/zinc/33/87/60/246338760.db2.gz KCPQNWGBHDYPIF-UHFFFAOYSA-N 1 3 361.490 0.872 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419837458 246312277 /nfs/dbraw/zinc/31/22/77/246312277.db2.gz CXIYQJXGBHJTQP-QGZVFWFLSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838031 246314685 /nfs/dbraw/zinc/31/46/85/246314685.db2.gz DXYMMQWICKSDLY-AWEZNQCLSA-N 1 3 368.428 0.723 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419844314 246316747 /nfs/dbraw/zinc/31/67/47/246316747.db2.gz CAMOVLSBOOKFPS-UHFFFAOYSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419856468 246327028 /nfs/dbraw/zinc/32/70/28/246327028.db2.gz FEEHUVZKQMXWPK-INIZCTEOSA-N 1 3 368.428 0.709 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419863126 246333515 /nfs/dbraw/zinc/33/35/15/246333515.db2.gz NKJFGINXAPUVLD-INIZCTEOSA-N 1 3 350.438 0.569 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000419869440 246336968 /nfs/dbraw/zinc/33/69/68/246336968.db2.gz BMYKOEIQCVRICH-JKSUJKDBSA-N 1 3 364.490 0.983 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419918371 246367626 /nfs/dbraw/zinc/36/76/26/246367626.db2.gz UMEDSCDPBZDNDM-CQSZACIVSA-N 1 3 352.504 0.754 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419877982 246346478 /nfs/dbraw/zinc/34/64/78/246346478.db2.gz RICOZKRVXYYEBE-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419906103 246362607 /nfs/dbraw/zinc/36/26/07/246362607.db2.gz YPKXCOIEESNPAA-QGZVFWFLSA-N 1 3 350.507 0.969 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000419969817 246393520 /nfs/dbraw/zinc/39/35/20/246393520.db2.gz CVTWAHNQFDBQJG-KRWDZBQOSA-N 1 3 364.490 0.685 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)o1 ZINC000419973800 246395548 /nfs/dbraw/zinc/39/55/48/246395548.db2.gz HBBSNSMJQCJXDG-OAHLLOKOSA-N 1 3 352.479 0.968 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000423164744 246971695 /nfs/dbraw/zinc/97/16/95/246971695.db2.gz AABOOPRFNZMUCW-CABCVRRESA-N 1 3 350.463 0.674 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000423381381 247016045 /nfs/dbraw/zinc/01/60/45/247016045.db2.gz ZOEZTCTVIGJHJF-CQSZACIVSA-N 1 3 350.463 0.756 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000423569413 247057323 /nfs/dbraw/zinc/05/73/23/247057323.db2.gz FUMFVVBWDBATMI-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423437752 247026822 /nfs/dbraw/zinc/02/68/22/247026822.db2.gz GPPWCSXOYZXXMN-BPQIPLTHSA-N 1 3 358.486 0.740 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423437752 247026827 /nfs/dbraw/zinc/02/68/27/247026827.db2.gz GPPWCSXOYZXXMN-BPQIPLTHSA-N 1 3 358.486 0.740 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423607667 247072455 /nfs/dbraw/zinc/07/24/55/247072455.db2.gz JULWWLMVEHYZDJ-UKRRQHHQSA-N 1 3 352.504 0.834 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@@H]1CN ZINC000423716518 247121801 /nfs/dbraw/zinc/12/18/01/247121801.db2.gz AAUWWCHULNWFNF-HYVNUMGLSA-N 1 3 350.507 0.763 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423734429 247133231 /nfs/dbraw/zinc/13/32/31/247133231.db2.gz QXWNHLWDLWSCLA-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424541165 247257953 /nfs/dbraw/zinc/25/79/53/247257953.db2.gz HFXASBXLATYESB-OKZBNKHCSA-N 1 3 358.486 0.819 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC000425382275 247327439 /nfs/dbraw/zinc/32/74/39/247327439.db2.gz HIQNXMYJSALFTB-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO Cc1nc2n(n1)CCN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000439330538 248121992 /nfs/dbraw/zinc/12/19/92/248121992.db2.gz MUWJPXVZQKPSDE-UHFFFAOYSA-N 1 3 361.494 0.670 20 0 FCADHO CN1CCN(CCNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1(C)C ZINC000442607158 248293492 /nfs/dbraw/zinc/29/34/92/248293492.db2.gz GYRHNZMGKBOHCZ-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443072479 248306048 /nfs/dbraw/zinc/30/60/48/248306048.db2.gz NNTPSEWKUUFCQM-OAHLLOKOSA-N 1 3 368.503 0.054 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000443650875 248334875 /nfs/dbraw/zinc/33/48/75/248334875.db2.gz INFBPVWDLKJABQ-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445867586 248378149 /nfs/dbraw/zinc/37/81/49/248378149.db2.gz WURACDWFLCCETA-OAHLLOKOSA-N 1 3 353.511 0.713 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270710399 211251217 /nfs/dbraw/zinc/25/12/17/211251217.db2.gz LCNMUKVPOJLEAL-UHFFFAOYSA-N 1 3 367.494 0.790 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270710399 211251222 /nfs/dbraw/zinc/25/12/22/211251222.db2.gz LCNMUKVPOJLEAL-UHFFFAOYSA-N 1 3 367.494 0.790 20 0 FCADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007384 250020765 /nfs/dbraw/zinc/02/07/65/250020765.db2.gz BJGPXUFQWVZRQI-GOEBONIOSA-N 1 3 363.458 0.914 20 0 FCADHO CCN(C)C(=O)[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000473924772 250257917 /nfs/dbraw/zinc/25/79/17/250257917.db2.gz WGYAPLGSRSWSNU-HZPDHXFCSA-N 1 3 355.527 0.911 20 0 FCADHO CCN(C)C(=O)[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000473924772 250257920 /nfs/dbraw/zinc/25/79/20/250257920.db2.gz WGYAPLGSRSWSNU-HZPDHXFCSA-N 1 3 355.527 0.911 20 0 FCADHO CC(C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C)CC1 ZINC000481018328 250309217 /nfs/dbraw/zinc/30/92/17/250309217.db2.gz DPZINDSRKNULCE-AEFFLSMTSA-N 1 3 371.595 0.995 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481700373 250350403 /nfs/dbraw/zinc/35/04/03/250350403.db2.gz ZBFNMTFLAHBVRB-FUHWJXTLSA-N 1 3 371.595 0.997 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000481804351 250361205 /nfs/dbraw/zinc/36/12/05/250361205.db2.gz DYGWZEYIVWARJT-PNBKFKSVSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000481804351 250361206 /nfs/dbraw/zinc/36/12/06/250361206.db2.gz DYGWZEYIVWARJT-PNBKFKSVSA-N 1 3 350.507 0.822 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481858550 250368202 /nfs/dbraw/zinc/36/82/02/250368202.db2.gz VQWDNIDUNQYJMX-HOTGVXAUSA-N 1 3 356.511 0.260 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000481858550 250368205 /nfs/dbraw/zinc/36/82/05/250368205.db2.gz VQWDNIDUNQYJMX-HOTGVXAUSA-N 1 3 356.511 0.260 20 0 FCADHO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000482370328 250388120 /nfs/dbraw/zinc/38/81/20/250388120.db2.gz ICOIYQZYERWZSH-IBGZPJMESA-N 1 3 360.502 0.975 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000176641138 209009087 /nfs/dbraw/zinc/00/90/87/209009087.db2.gz TXPFWFIELIUENH-AWEZNQCLSA-N 1 3 365.478 0.936 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C(N)=O)o1 ZINC000176641138 209009089 /nfs/dbraw/zinc/00/90/89/209009089.db2.gz TXPFWFIELIUENH-AWEZNQCLSA-N 1 3 365.478 0.936 20 0 FCADHO CCCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1)[C@H]1CC[NH2+]C1 ZINC000178890659 209063607 /nfs/dbraw/zinc/06/36/07/209063607.db2.gz KAHNFBLAPBJNHT-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413189846 533569802 /nfs/dbraw/zinc/56/98/02/533569802.db2.gz JAHXWGLLEQJRCD-INIZCTEOSA-N 1 3 355.527 0.422 20 0 FCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000114047208 229169430 /nfs/dbraw/zinc/16/94/30/229169430.db2.gz QWKUKVSPKDFJLA-UHFFFAOYSA-N 1 3 362.474 0.914 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410441123 230080842 /nfs/dbraw/zinc/08/08/42/230080842.db2.gz XZYIXYOZFAHOFP-VQIMIIECSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410441123 230080846 /nfs/dbraw/zinc/08/08/46/230080846.db2.gz XZYIXYOZFAHOFP-VQIMIIECSA-N 1 3 366.506 0.110 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410439717 230080968 /nfs/dbraw/zinc/08/09/68/230080968.db2.gz WGXMLMFOOAOKAK-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)CN1CCN(C)CC1 ZINC000562803662 491190227 /nfs/dbraw/zinc/19/02/27/491190227.db2.gz DAMPAUWRVGNKIT-YTQUADARSA-N 1 3 359.518 0.925 20 0 FCADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1(C)C ZINC000328242442 488921658 /nfs/dbraw/zinc/92/16/58/488921658.db2.gz AHXIKPSOIWKCOF-FRQCXROJSA-N 1 3 354.539 0.907 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)Cc2ccccc2C1 ZINC000287957750 488926031 /nfs/dbraw/zinc/92/60/31/488926031.db2.gz YHALWPRBHXDORE-UHFFFAOYSA-N 1 3 372.513 0.802 20 0 FCADHO COCCN1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050799028 488113879 /nfs/dbraw/zinc/11/38/79/488113879.db2.gz YJGKEKNGWBOELU-OAHLLOKOSA-N 1 3 366.506 0.156 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(OCC(N)=O)c3)CC2)CC1 ZINC000050799002 488113940 /nfs/dbraw/zinc/11/39/40/488113940.db2.gz JJHCAFONOCFCIL-UHFFFAOYSA-N 1 3 374.485 0.839 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCN3CCOCC3)CC2)CC1 ZINC000051674612 488138412 /nfs/dbraw/zinc/13/84/12/488138412.db2.gz LPNRAKZYNIDKRQ-UHFFFAOYSA-N 1 3 353.511 0.176 20 0 FCADHO COCCN(CCOC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758457 488143483 /nfs/dbraw/zinc/14/34/83/488143483.db2.gz IKBJFFOATWKZTK-UHFFFAOYSA-N 1 3 356.511 0.849 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184511084 488396727 /nfs/dbraw/zinc/39/67/27/488396727.db2.gz IQSWCCYCLXGLOD-FUHWJXTLSA-N 1 3 354.539 0.922 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000562837553 491195405 /nfs/dbraw/zinc/19/54/05/491195405.db2.gz OANIKGPKCFPLAE-CPUCHLNUSA-N 1 3 356.536 0.529 20 0 FCADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000080061238 488433602 /nfs/dbraw/zinc/43/36/02/488433602.db2.gz DCVVXEUYMREGOM-HNNXBMFYSA-N 1 3 359.478 0.853 20 0 FCADHO CN(C(=O)COCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000247446413 488485718 /nfs/dbraw/zinc/48/57/18/488485718.db2.gz PVWUBWPNDUYJEI-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C(=O)COCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000247446413 488485720 /nfs/dbraw/zinc/48/57/20/488485720.db2.gz PVWUBWPNDUYJEI-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO O=C(C[C@@H]1C[NH2+]CCO1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000269307760 488489767 /nfs/dbraw/zinc/48/97/67/488489767.db2.gz UVYZJCDBMRQGJI-LJQANCHMSA-N 1 3 360.502 0.689 20 0 FCADHO CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103297090 488500958 /nfs/dbraw/zinc/50/09/58/488500958.db2.gz SZKBCEQBVAHYJJ-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000104800790 488506090 /nfs/dbraw/zinc/50/60/90/488506090.db2.gz JYDKDCWJDGXQLN-INIZCTEOSA-N 1 3 374.489 0.501 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000104800790 488506091 /nfs/dbraw/zinc/50/60/91/488506091.db2.gz JYDKDCWJDGXQLN-INIZCTEOSA-N 1 3 374.489 0.501 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000249139072 488506560 /nfs/dbraw/zinc/50/65/60/488506560.db2.gz FGTXGLRAQXSGJF-GJZGRUSLSA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000249139072 488506562 /nfs/dbraw/zinc/50/65/62/488506562.db2.gz FGTXGLRAQXSGJF-GJZGRUSLSA-N 1 3 362.478 0.326 20 0 FCADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)COC1CCOCC1 ZINC000563011634 491207881 /nfs/dbraw/zinc/20/78/81/491207881.db2.gz NFINADRONMZJMY-MOPGFXCFSA-N 1 3 364.486 0.899 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261646729 488528988 /nfs/dbraw/zinc/52/89/88/488528988.db2.gz ADDCTYMPVRBUTI-GVDBMIGSSA-N 1 3 350.507 0.968 20 0 FCADHO Cc1cc(NC(=O)CCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261687028 488530995 /nfs/dbraw/zinc/53/09/95/488530995.db2.gz CYJRSVFWLVRKLS-CABCVRRESA-N 1 3 363.462 0.892 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261799758 488536723 /nfs/dbraw/zinc/53/67/23/488536723.db2.gz IUXHQWXIPRSERD-YVSFHVDLSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000261999282 488545504 /nfs/dbraw/zinc/54/55/04/488545504.db2.gz PAZJAOGMTMHCGG-MRXNPFEDSA-N 1 3 360.506 0.835 20 0 FCADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262123266 488552075 /nfs/dbraw/zinc/55/20/75/488552075.db2.gz MKURNTXYMRSXNZ-QGZVFWFLSA-N 1 3 363.506 0.931 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262332991 488564258 /nfs/dbraw/zinc/56/42/58/488564258.db2.gz RWGOKRZSRBAMKM-INIZCTEOSA-N 1 3 352.504 0.416 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000262370190 488566643 /nfs/dbraw/zinc/56/66/43/488566643.db2.gz LNMUNLISQQHQCD-UHFFFAOYSA-N 1 3 369.487 0.732 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000130573488 488638720 /nfs/dbraw/zinc/63/87/20/488638720.db2.gz SCOJPZIGNSMDFL-UHFFFAOYSA-N 1 3 360.409 0.039 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000133533763 488660413 /nfs/dbraw/zinc/66/04/13/488660413.db2.gz JFVIPOKLNRFSBT-OAHLLOKOSA-N 1 3 364.494 0.764 20 0 FCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000133533763 488660415 /nfs/dbraw/zinc/66/04/15/488660415.db2.gz JFVIPOKLNRFSBT-OAHLLOKOSA-N 1 3 364.494 0.764 20 0 FCADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152395997 488717267 /nfs/dbraw/zinc/71/72/67/488717267.db2.gz JEDZPRJLKWTBNY-CQSZACIVSA-N 1 3 368.503 0.936 20 0 FCADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152395997 488717269 /nfs/dbraw/zinc/71/72/69/488717269.db2.gz JEDZPRJLKWTBNY-CQSZACIVSA-N 1 3 368.503 0.936 20 0 FCADHO CSC[C@@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154330003 488741265 /nfs/dbraw/zinc/74/12/65/488741265.db2.gz LLNHODITBQUHBO-OAHLLOKOSA-N 1 3 358.552 0.958 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000563141099 491220633 /nfs/dbraw/zinc/22/06/33/491220633.db2.gz BAGUAUKVKPPKKO-SFHVURJKSA-N 1 3 358.486 0.919 20 0 FCADHO CCc1cnc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000563147450 491220860 /nfs/dbraw/zinc/22/08/60/491220860.db2.gz APADXBIHFLOVIW-UHFFFAOYSA-N 1 3 369.535 0.616 20 0 FCADHO CC(C)N1CCN(c2ccc(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)CC1 ZINC000162679708 488804433 /nfs/dbraw/zinc/80/44/33/488804433.db2.gz DMRXJLLLLBKMBD-LJQANCHMSA-N 1 3 359.518 0.932 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000170882764 488817429 /nfs/dbraw/zinc/81/74/29/488817429.db2.gz MGKNHBUNZOVVEW-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO COCCCN(C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173147798 488841288 /nfs/dbraw/zinc/84/12/88/488841288.db2.gz JYAXXSDHZXLEJU-INIZCTEOSA-N 1 3 356.511 0.755 20 0 FCADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000175728720 488855296 /nfs/dbraw/zinc/85/52/96/488855296.db2.gz JUJLGUNPERJGDE-QGZVFWFLSA-N 1 3 367.538 0.376 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381125 488859384 /nfs/dbraw/zinc/85/93/84/488859384.db2.gz OUHUOJAYYYEUON-HNNXBMFYSA-N 1 3 355.527 0.815 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177378238 488859491 /nfs/dbraw/zinc/85/94/91/488859491.db2.gz YKNVQIQWRQADGH-INIZCTEOSA-N 1 3 367.538 0.023 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000279972992 488977989 /nfs/dbraw/zinc/97/79/89/488977989.db2.gz YDHRFUZYDKXJSB-ZDUSSCGKSA-N 1 3 353.492 0.317 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364787380 489002413 /nfs/dbraw/zinc/00/24/13/489002413.db2.gz BWIOZTWMCGEHNE-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000289875595 489099381 /nfs/dbraw/zinc/09/93/81/489099381.db2.gz LXQADADDEHTCAW-QGZVFWFLSA-N 1 3 362.474 0.331 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c2ccccc2O1 ZINC000366173957 489154750 /nfs/dbraw/zinc/15/47/50/489154750.db2.gz NHMQRVYTSDYJBH-JKSUJKDBSA-N 1 3 374.485 0.752 20 0 FCADHO COCCN1CC[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000366788362 489199499 /nfs/dbraw/zinc/19/94/99/489199499.db2.gz OECNIBPKHPOTLC-AWEZNQCLSA-N 1 3 350.467 0.992 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCC(C)CC1 ZINC000331447980 489212439 /nfs/dbraw/zinc/21/24/39/489212439.db2.gz SPAJTBJGBCJXMQ-YYIAUSFCSA-N 1 3 350.507 0.809 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)NCC3CC3)CC2)CC1 ZINC000563391582 491241343 /nfs/dbraw/zinc/24/13/43/491241343.db2.gz WWHICQDLTJPKHR-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524086 489248604 /nfs/dbraw/zinc/24/86/04/489248604.db2.gz ZMQKFPDWKZERAH-SJORKVTESA-N 1 3 367.538 0.422 20 0 FCADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524086 489248607 /nfs/dbraw/zinc/24/86/07/489248607.db2.gz ZMQKFPDWKZERAH-SJORKVTESA-N 1 3 367.538 0.422 20 0 FCADHO C[C@H](CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)CN1CCOCC1 ZINC000369524086 489248608 /nfs/dbraw/zinc/24/86/08/489248608.db2.gz ZMQKFPDWKZERAH-SJORKVTESA-N 1 3 367.538 0.422 20 0 FCADHO CCOC(=O)COCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563409177 491242509 /nfs/dbraw/zinc/24/25/09/491242509.db2.gz OTJNEZLVTJQBLQ-UHFFFAOYSA-N 1 3 369.506 0.879 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000283706309 489293275 /nfs/dbraw/zinc/29/32/75/489293275.db2.gz IWQXTDHRJQSRRY-UHFFFAOYSA-N 1 3 361.490 0.872 20 0 FCADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698771 489363308 /nfs/dbraw/zinc/36/33/08/489363308.db2.gz CDCWLIHNSABFDX-YJBOKZPZSA-N 1 3 370.497 0.590 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1=O ZINC000370473936 489364442 /nfs/dbraw/zinc/36/44/42/489364442.db2.gz TZKRMOOWAFNNJU-IDCNUPLLSA-N 1 3 362.518 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1=O ZINC000370473936 489364445 /nfs/dbraw/zinc/36/44/45/489364445.db2.gz TZKRMOOWAFNNJU-IDCNUPLLSA-N 1 3 362.518 0.918 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370481593 489365026 /nfs/dbraw/zinc/36/50/26/489365026.db2.gz VJVBHRLNOMAGJQ-GOSISDBHSA-N 1 3 369.554 0.765 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370481593 489365027 /nfs/dbraw/zinc/36/50/27/489365027.db2.gz VJVBHRLNOMAGJQ-GOSISDBHSA-N 1 3 369.554 0.765 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286209286 489368822 /nfs/dbraw/zinc/36/88/22/489368822.db2.gz SLPKMWQMEXPXFE-HXUWFJFHSA-N 1 3 371.529 0.705 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370601150 489380987 /nfs/dbraw/zinc/38/09/87/489380987.db2.gz FOSVDJKVTBBUOK-INIZCTEOSA-N 1 3 356.511 0.849 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370601150 489380991 /nfs/dbraw/zinc/38/09/91/489380991.db2.gz FOSVDJKVTBBUOK-INIZCTEOSA-N 1 3 356.511 0.849 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000286603177 489408946 /nfs/dbraw/zinc/40/89/46/489408946.db2.gz XGRVTBDYXXDEOG-OAHLLOKOSA-N 1 3 361.490 0.871 20 0 FCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363349949 489455885 /nfs/dbraw/zinc/45/58/85/489455885.db2.gz UARZNGQLXGPSFX-LJQANCHMSA-N 1 3 365.566 0.641 20 0 FCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363349949 489455888 /nfs/dbraw/zinc/45/58/88/489455888.db2.gz UARZNGQLXGPSFX-LJQANCHMSA-N 1 3 365.566 0.641 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423092226 489493003 /nfs/dbraw/zinc/49/30/03/489493003.db2.gz AZNFAXBOGZSTSX-HNNXBMFYSA-N 1 3 364.465 0.784 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423158509 489498281 /nfs/dbraw/zinc/49/82/81/489498281.db2.gz CXPUYIYVLFVMFS-ZWKOTPCHSA-N 1 3 373.501 0.844 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000423167020 489498799 /nfs/dbraw/zinc/49/87/99/489498799.db2.gz RSYKAUQJHWJVQU-CZUORRHYSA-N 1 3 350.438 0.522 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000423168423 489498954 /nfs/dbraw/zinc/49/89/54/489498954.db2.gz HIYMXHKWMQOJQN-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO COC(=O)c1coc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414486916 489500513 /nfs/dbraw/zinc/50/05/13/489500513.db2.gz RKHLRISDYLEQNV-UHFFFAOYSA-N 1 3 351.447 0.952 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000423199420 489502095 /nfs/dbraw/zinc/50/20/95/489502095.db2.gz BKEOJJRZHBEFGJ-YOEHRIQHSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423203450 489502220 /nfs/dbraw/zinc/50/22/20/489502220.db2.gz MSOXCFOUHUTTSV-HUUCEWRRSA-N 1 3 354.495 0.012 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423201372 489502375 /nfs/dbraw/zinc/50/23/75/489502375.db2.gz IJSNEXBABOFTJO-CQSZACIVSA-N 1 3 368.428 0.675 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCCc2ccccc2)CCN(C)C)C[C@H]1[NH3+] ZINC000423208576 489503039 /nfs/dbraw/zinc/50/30/39/489503039.db2.gz ZGRHDUZDSSQTLQ-SJLPKXTDSA-N 1 3 360.502 0.815 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423258447 489507659 /nfs/dbraw/zinc/50/76/59/489507659.db2.gz MCRPJWISYDFZOY-RTBURBONSA-N 1 3 372.513 0.953 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423265440 489508917 /nfs/dbraw/zinc/50/89/17/489508917.db2.gz RAXQKRXSVODFEM-HZPDHXFCSA-N 1 3 356.511 0.247 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415388651 489517089 /nfs/dbraw/zinc/51/70/89/489517089.db2.gz YNPGQNNEILSHAU-INIZCTEOSA-N 1 3 373.501 0.944 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000415395863 489517851 /nfs/dbraw/zinc/51/78/51/489517851.db2.gz OSMYTKNJHOYUDO-MRXNPFEDSA-N 1 3 373.501 0.883 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c2)CC1 ZINC000415512788 489526055 /nfs/dbraw/zinc/52/60/55/489526055.db2.gz VDRUQUQLHJMYJQ-HNNXBMFYSA-N 1 3 361.490 0.867 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415511716 489526410 /nfs/dbraw/zinc/52/64/10/489526410.db2.gz QUBJNEKWZVQUAI-LLVKDONJSA-N 1 3 356.854 0.930 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c(C)c2)CC1 ZINC000415543415 489527894 /nfs/dbraw/zinc/52/78/94/489527894.db2.gz XGINQYNPJAEDJV-QGZVFWFLSA-N 1 3 373.501 0.929 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)c2)CC1 ZINC000415542238 489528090 /nfs/dbraw/zinc/52/80/90/489528090.db2.gz PPIMFJRBBBZWLU-HZPDHXFCSA-N 1 3 373.501 0.963 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415861684 489560696 /nfs/dbraw/zinc/56/06/96/489560696.db2.gz JIZOOLMTIMLVOP-QGZVFWFLSA-N 1 3 360.458 0.368 20 0 FCADHO CSC1(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[NH+](C)CC1 ZINC000427151575 489596770 /nfs/dbraw/zinc/59/67/70/489596770.db2.gz WPNQTUXPCDOOSB-CQSZACIVSA-N 1 3 356.536 0.340 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000563763285 491267688 /nfs/dbraw/zinc/26/76/88/491267688.db2.gz RSDGWSVJDSLPNU-INIZCTEOSA-N 1 3 356.511 0.450 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000563763285 491267690 /nfs/dbraw/zinc/26/76/90/491267690.db2.gz RSDGWSVJDSLPNU-INIZCTEOSA-N 1 3 356.511 0.450 20 0 FCADHO [NH3+]CCN(CCO)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417014444 489638710 /nfs/dbraw/zinc/63/87/10/489638710.db2.gz FEIPRJCQIQSNTJ-UHFFFAOYSA-N 1 3 363.506 0.157 20 0 FCADHO C[C@H]1CN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000417383754 489651103 /nfs/dbraw/zinc/65/11/03/489651103.db2.gz KQDZIJUCCNJRPM-WMZOPIPTSA-N 1 3 360.506 0.972 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417426686 489651708 /nfs/dbraw/zinc/65/17/08/489651708.db2.gz HFPHEBWTXURPLP-CVEARBPZSA-N 1 3 353.511 0.746 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417426689 489651852 /nfs/dbraw/zinc/65/18/52/489651852.db2.gz HFPHEBWTXURPLP-JKSUJKDBSA-N 1 3 353.511 0.746 20 0 FCADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)N1CCN(C)CC1 ZINC000457622629 489651972 /nfs/dbraw/zinc/65/19/72/489651972.db2.gz QNRVSAYNTZHKNI-QZTJIDSGSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622629 489651975 /nfs/dbraw/zinc/65/19/75/489651975.db2.gz QNRVSAYNTZHKNI-QZTJIDSGSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622629 489651977 /nfs/dbraw/zinc/65/19/77/489651977.db2.gz QNRVSAYNTZHKNI-QZTJIDSGSA-N 1 3 369.554 0.404 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417436225 489653329 /nfs/dbraw/zinc/65/33/29/489653329.db2.gz ZNDKBLUWZNFWHD-MAUKXSAKSA-N 1 3 353.511 0.618 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000417479365 489655772 /nfs/dbraw/zinc/65/57/72/489655772.db2.gz UCYZZGXQMMYECV-MRXNPFEDSA-N 1 3 361.490 0.777 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417495532 489656444 /nfs/dbraw/zinc/65/64/44/489656444.db2.gz TWMNQHKCUACILA-BZSNNMDCSA-N 1 3 364.490 0.670 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000417519129 489657107 /nfs/dbraw/zinc/65/71/07/489657107.db2.gz ULFMMZNJRTUYKH-OKZBNKHCSA-N 1 3 364.490 0.576 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C1CC1 ZINC000417550471 489658058 /nfs/dbraw/zinc/65/80/58/489658058.db2.gz LKJKGYHBTQTEFO-BFYDXBDKSA-N 1 3 365.522 0.759 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417571740 489658792 /nfs/dbraw/zinc/65/87/92/489658792.db2.gz YACAIIAPPHUQMN-GDBMZVCRSA-N 1 3 353.511 0.746 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417694769 489661565 /nfs/dbraw/zinc/66/15/65/489661565.db2.gz DVUVFEVTGJXBKV-CVEARBPZSA-N 1 3 353.511 0.747 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417694770 489661819 /nfs/dbraw/zinc/66/18/19/489661819.db2.gz DVUVFEVTGJXBKV-HOTGVXAUSA-N 1 3 353.511 0.747 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000417761485 489664793 /nfs/dbraw/zinc/66/47/93/489664793.db2.gz ZFAUYZSTGIIGFF-FRRDWIJNSA-N 1 3 351.417 0.604 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000417815559 489666952 /nfs/dbraw/zinc/66/69/52/489666952.db2.gz ICIYLGODSOHAFE-PBHICJAKSA-N 1 3 371.551 0.453 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373128090 489671083 /nfs/dbraw/zinc/67/10/83/489671083.db2.gz YIHDHQAEJMPLNA-DLBZAZTESA-N 1 3 353.511 0.129 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373128090 489671086 /nfs/dbraw/zinc/67/10/86/489671086.db2.gz YIHDHQAEJMPLNA-DLBZAZTESA-N 1 3 353.511 0.129 20 0 FCADHO COCC[NH2+]CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418001177 489674800 /nfs/dbraw/zinc/67/48/00/489674800.db2.gz WLWBJXLQGBWVBH-KRWDZBQOSA-N 1 3 350.463 0.288 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418104232 489678519 /nfs/dbraw/zinc/67/85/19/489678519.db2.gz XHZPDIQEXIZRCA-GJZGRUSLSA-N 1 3 353.511 0.603 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CC[NH2+]CC1 ZINC000418303235 489690360 /nfs/dbraw/zinc/69/03/60/489690360.db2.gz DCMUHNWQQLSTBR-KRWDZBQOSA-N 1 3 361.490 0.327 20 0 FCADHO COCC[NH2+]CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418511843 489702649 /nfs/dbraw/zinc/70/26/49/489702649.db2.gz SBPKJSUMQUTOII-GOSISDBHSA-N 1 3 350.463 0.159 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000418565588 489707950 /nfs/dbraw/zinc/70/79/50/489707950.db2.gz VNTIAMPXUWEETF-YQVWRLOYSA-N 1 3 362.474 0.507 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623385 489711945 /nfs/dbraw/zinc/71/19/45/489711945.db2.gz XBQMMUHOMRCZJC-ZDUSSCGKSA-N 1 3 353.433 0.804 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418635023 489713316 /nfs/dbraw/zinc/71/33/16/489713316.db2.gz JWVXVZNZPVJKKE-RDJZCZTQSA-N 1 3 359.474 0.370 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418635020 489713758 /nfs/dbraw/zinc/71/37/58/489713758.db2.gz JWVXVZNZPVJKKE-NVXWUHKLSA-N 1 3 359.474 0.370 20 0 FCADHO CCN1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000459046560 489716067 /nfs/dbraw/zinc/71/60/67/489716067.db2.gz LZABUOOIROAPBJ-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CCN1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000459046560 489716070 /nfs/dbraw/zinc/71/60/70/489716070.db2.gz LZABUOOIROAPBJ-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CCO[C@@H]1COC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459119817 489718426 /nfs/dbraw/zinc/71/84/26/489718426.db2.gz NWHSQJWKBVQFBZ-GVDBMIGSSA-N 1 3 356.511 0.848 20 0 FCADHO CCO[C@@H]1COC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459119817 489718428 /nfs/dbraw/zinc/71/84/28/489718428.db2.gz NWHSQJWKBVQFBZ-GVDBMIGSSA-N 1 3 356.511 0.848 20 0 FCADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418733218 489720254 /nfs/dbraw/zinc/72/02/54/489720254.db2.gz VBKRYNFVNAPGDK-CVEARBPZSA-N 1 3 353.511 0.795 20 0 FCADHO O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418779557 489725653 /nfs/dbraw/zinc/72/56/53/489725653.db2.gz ZESZSROIPVNULV-XHSDSOJGSA-N 1 3 368.428 0.918 20 0 FCADHO C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459539822 489737855 /nfs/dbraw/zinc/73/78/55/489737855.db2.gz QCVFLVQTUVAHGC-RDJZCZTQSA-N 1 3 354.520 0.883 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418833275 489745503 /nfs/dbraw/zinc/74/55/03/489745503.db2.gz IAIGVAMEADQQGM-RYQLBKOJSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418833268 489745718 /nfs/dbraw/zinc/74/57/18/489745718.db2.gz IAIGVAMEADQQGM-CGTJXYLNSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)([NH+](C)C)C1 ZINC000563900064 491276499 /nfs/dbraw/zinc/27/64/99/491276499.db2.gz ORJHSLRCBUHQQW-ADAWSYLGSA-N 1 3 351.495 0.450 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418847278 489754490 /nfs/dbraw/zinc/75/44/90/489754490.db2.gz HTFIEEOXPMWXAO-IAGOWNOFSA-N 1 3 362.474 0.372 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@@H]1C[NH3+] ZINC000418856948 489760174 /nfs/dbraw/zinc/76/01/74/489760174.db2.gz XXONSULOAYHVRN-KBAYOESNSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418863676 489763245 /nfs/dbraw/zinc/76/32/45/489763245.db2.gz BSKTVWOOLJJVFL-JKSUJKDBSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000430715249 489766702 /nfs/dbraw/zinc/76/67/02/489766702.db2.gz RQYOERZGIDBQBF-ZXFUBFMLSA-N 1 3 350.507 0.966 20 0 FCADHO CCCN(C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000418875038 489770284 /nfs/dbraw/zinc/77/02/84/489770284.db2.gz CLGOKYFARRKBAG-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418879947 489772027 /nfs/dbraw/zinc/77/20/27/489772027.db2.gz OFWMGQWICXTCLM-HOTGVXAUSA-N 1 3 356.511 0.435 20 0 FCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418879243 489772134 /nfs/dbraw/zinc/77/21/34/489772134.db2.gz NBPPYUVYEWNUJN-ROUUACIJSA-N 1 3 374.485 0.209 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC1 ZINC000418880273 489772279 /nfs/dbraw/zinc/77/22/79/489772279.db2.gz VBBVFHNRQDMMPM-DOTOQJQBSA-N 1 3 362.449 0.679 20 0 FCADHO COCC[C@@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878372 489774082 /nfs/dbraw/zinc/77/40/82/489774082.db2.gz NWBVKOQNPRSUAC-QAPCUYQASA-N 1 3 354.495 0.062 20 0 FCADHO O=C(N[C@@H]1CCN(C2CC2)C1)C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000474810057 489788045 /nfs/dbraw/zinc/78/80/45/489788045.db2.gz NQNNFNJOCRAJOC-HUUCEWRRSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(N[C@@H]1CCN(C2CC2)C1)C1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000474810057 489788049 /nfs/dbraw/zinc/78/80/49/489788049.db2.gz NQNNFNJOCRAJOC-HUUCEWRRSA-N 1 3 360.502 0.863 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459910121 489788989 /nfs/dbraw/zinc/78/89/89/489788989.db2.gz SDSLLEKOBZVATO-KRWDZBQOSA-N 1 3 352.523 0.977 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000491073336 489794243 /nfs/dbraw/zinc/79/42/43/489794243.db2.gz DCMJHFRMODBFLP-SFHVURJKSA-N 1 3 352.523 0.726 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)Cc1ccccc1 ZINC000418936045 489795898 /nfs/dbraw/zinc/79/58/98/489795898.db2.gz BECSEQNJZOJAOM-WBVHZDCISA-N 1 3 362.474 0.118 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](CN)C1 ZINC000418939050 489797040 /nfs/dbraw/zinc/79/70/40/489797040.db2.gz QJHWBFRAMSTTIX-IAGOWNOFSA-N 1 3 368.522 0.724 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000555886131 491279482 /nfs/dbraw/zinc/27/94/82/491279482.db2.gz LTSSOCHKUFWOST-CQSZACIVSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000418984953 489810114 /nfs/dbraw/zinc/81/01/14/489810114.db2.gz FKKIMIOBVRBVEL-RCCFBDPRSA-N 1 3 358.486 0.950 20 0 FCADHO CN(CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419003655 489813923 /nfs/dbraw/zinc/81/39/23/489813923.db2.gz QQSVDVMTLQIPOQ-ROUUACIJSA-N 1 3 358.486 0.693 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022321 489821877 /nfs/dbraw/zinc/82/18/77/489821877.db2.gz IEOAJWLWHYWBBL-RBSFLKMASA-N 1 3 368.522 0.842 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022321 489821880 /nfs/dbraw/zinc/82/18/80/489821880.db2.gz IEOAJWLWHYWBBL-RBSFLKMASA-N 1 3 368.522 0.842 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419033869 489826773 /nfs/dbraw/zinc/82/67/73/489826773.db2.gz LXBINQQBBLBNSL-AWEZNQCLSA-N 1 3 356.536 0.565 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419035612 489828121 /nfs/dbraw/zinc/82/81/21/489828121.db2.gz OIHARSCQCLMRSJ-UHFFFAOYSA-N 1 3 370.563 0.970 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419044687 489832298 /nfs/dbraw/zinc/83/22/98/489832298.db2.gz QPWIBKBDTVXKTH-MRXNPFEDSA-N 1 3 354.495 0.332 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419044398 489832385 /nfs/dbraw/zinc/83/23/85/489832385.db2.gz PUDXAMMEHAQQEN-WBVHZDCISA-N 1 3 368.522 0.578 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000419047677 489834242 /nfs/dbraw/zinc/83/42/42/489834242.db2.gz YOFPOGRUNHHUKN-HOTGVXAUSA-N 1 3 368.522 0.578 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000460078457 489844708 /nfs/dbraw/zinc/84/47/08/489844708.db2.gz HMZGRVIDGXZOQI-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419099118 489855249 /nfs/dbraw/zinc/85/52/49/489855249.db2.gz DKCWFLXGPCIBDE-SJORKVTESA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419119386 489864179 /nfs/dbraw/zinc/86/41/79/489864179.db2.gz JRLANSPFJXIYQL-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419993963 489875768 /nfs/dbraw/zinc/87/57/68/489875768.db2.gz KZURVQYXINDFQF-KFWWJZLASA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419995799 489876981 /nfs/dbraw/zinc/87/69/81/489876981.db2.gz IRZFSHQSHQYTIK-ILXRZTDVSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CN1CCN(C)CC1 ZINC000433413172 489882256 /nfs/dbraw/zinc/88/22/56/489882256.db2.gz WASYFEKPLFRIRM-MSOLQXFVSA-N 1 3 369.554 0.670 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CN1CCN(C)CC1 ZINC000433413172 489882261 /nfs/dbraw/zinc/88/22/61/489882261.db2.gz WASYFEKPLFRIRM-MSOLQXFVSA-N 1 3 369.554 0.670 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027125 489884787 /nfs/dbraw/zinc/88/47/87/489884787.db2.gz CUBBOWZXJRAFAF-HOCLYGCPSA-N 1 3 368.522 0.796 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420031978 489887488 /nfs/dbraw/zinc/88/74/88/489887488.db2.gz HOHWXTJHDKRHIW-ZNMIVQPWSA-N 1 3 352.479 0.160 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420039857 489889608 /nfs/dbraw/zinc/88/96/08/489889608.db2.gz OGZFDBIHTZOHAD-VYDXJSESSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420039857 489889612 /nfs/dbraw/zinc/88/96/12/489889612.db2.gz OGZFDBIHTZOHAD-VYDXJSESSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420060255 489897479 /nfs/dbraw/zinc/89/74/79/489897479.db2.gz KXEYHMSSCHLPSR-ZBFHGGJFSA-N 1 3 350.463 0.804 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420068732 489902685 /nfs/dbraw/zinc/90/26/85/489902685.db2.gz VBLQJQSQZLXYDY-INIZCTEOSA-N 1 3 350.438 0.569 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)o1 ZINC000420101712 489912264 /nfs/dbraw/zinc/91/22/64/489912264.db2.gz MCTPIMWPRBWDCW-LJQANCHMSA-N 1 3 364.490 0.984 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC1=O ZINC000377529215 489915688 /nfs/dbraw/zinc/91/56/88/489915688.db2.gz AFJUQCRYOFCOCR-MNOVXSKESA-N 1 3 351.476 0.308 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC2(C)CC[NH2+]CC2)o1 ZINC000420118141 489918165 /nfs/dbraw/zinc/91/81/65/489918165.db2.gz JZTSNBKOFGQWBW-UHFFFAOYSA-N 1 3 364.490 0.984 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420118772 489919247 /nfs/dbraw/zinc/91/92/47/489919247.db2.gz KGDYUQUTHDQGLZ-UHFFFAOYSA-N 1 3 350.463 0.676 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000420129288 489922420 /nfs/dbraw/zinc/92/24/20/489922420.db2.gz WPYRSBIUSPRRFO-WMZOPIPTSA-N 1 3 360.502 0.999 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000420129285 489922451 /nfs/dbraw/zinc/92/24/51/489922451.db2.gz WPYRSBIUSPRRFO-AEFFLSMTSA-N 1 3 360.502 0.999 20 0 FCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420145325 489929642 /nfs/dbraw/zinc/92/96/42/489929642.db2.gz OPNNOHFHRVQWJT-PMPSAXMXSA-N 1 3 368.522 0.448 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171942 489939559 /nfs/dbraw/zinc/93/95/59/489939559.db2.gz USENZCZYJPPIBR-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000556022729 491289767 /nfs/dbraw/zinc/28/97/67/491289767.db2.gz CBQIBNGCVIDIFS-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420197157 489948722 /nfs/dbraw/zinc/94/87/22/489948722.db2.gz LIJYKHKDFWNYLW-UKRRQHHQSA-N 1 3 352.504 0.882 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420201967 489949913 /nfs/dbraw/zinc/94/99/13/489949913.db2.gz NQWTUURJNRHJCX-RDJZCZTQSA-N 1 3 364.465 0.960 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCC2=CC[NH2+]CC2)o1 ZINC000420206805 489951984 /nfs/dbraw/zinc/95/19/84/489951984.db2.gz FIBNWMAPGHEERX-UHFFFAOYSA-N 1 3 362.474 0.904 20 0 FCADHO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](CN)C1 ZINC000420341761 489964498 /nfs/dbraw/zinc/96/44/98/489964498.db2.gz QDWZOUCXDOAAMR-TZMCWYRMSA-N 1 3 354.476 0.722 20 0 FCADHO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](CN)C1 ZINC000420341761 489964499 /nfs/dbraw/zinc/96/44/99/489964499.db2.gz QDWZOUCXDOAAMR-TZMCWYRMSA-N 1 3 354.476 0.722 20 0 FCADHO C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](CN)C1 ZINC000420341757 489964515 /nfs/dbraw/zinc/96/45/15/489964515.db2.gz QDWZOUCXDOAAMR-JSGCOSHPSA-N 1 3 354.476 0.722 20 0 FCADHO C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](CN)C1 ZINC000420341757 489964516 /nfs/dbraw/zinc/96/45/16/489964516.db2.gz QDWZOUCXDOAAMR-JSGCOSHPSA-N 1 3 354.476 0.722 20 0 FCADHO c1nc(N2CCOCC2)cc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420356191 489967906 /nfs/dbraw/zinc/96/79/06/489967906.db2.gz GARKPQJBHVCVFM-KRWDZBQOSA-N 1 3 360.506 0.825 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420415563 489973197 /nfs/dbraw/zinc/97/31/97/489973197.db2.gz BCJDYTBNWDCNSU-SWLSCSKDSA-N 1 3 357.524 0.809 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000477678783 489983931 /nfs/dbraw/zinc/98/39/31/489983931.db2.gz NWRHEHJIFFNEMN-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000477678783 489983932 /nfs/dbraw/zinc/98/39/32/489983932.db2.gz NWRHEHJIFFNEMN-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000477677869 489984319 /nfs/dbraw/zinc/98/43/19/489984319.db2.gz NBLRGJINRPEBSF-UHFFFAOYSA-N 1 3 366.506 0.300 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000477682267 489984394 /nfs/dbraw/zinc/98/43/94/489984394.db2.gz YWVDHZGOKOPSKL-UHFFFAOYSA-N 1 3 356.511 0.260 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962004 489988391 /nfs/dbraw/zinc/98/83/91/489988391.db2.gz SRUQFWJVWUSVIB-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887233 489994733 /nfs/dbraw/zinc/99/47/33/489994733.db2.gz ACBYWBNZGKNXAA-XWTMOSNGSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085946 491294013 /nfs/dbraw/zinc/29/40/13/491294013.db2.gz YSWAXLJQDRGXJJ-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085946 491294015 /nfs/dbraw/zinc/29/40/15/491294015.db2.gz YSWAXLJQDRGXJJ-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539480 490023755 /nfs/dbraw/zinc/02/37/55/490023755.db2.gz FKODEDWFXPYIHF-NVXWUHKLSA-N 1 3 359.474 0.990 20 0 FCADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000571289400 491298044 /nfs/dbraw/zinc/29/80/44/491298044.db2.gz ABOVFFAXAPSWJZ-UYAOXDASSA-N 1 3 361.534 0.886 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815860 490089616 /nfs/dbraw/zinc/08/96/16/490089616.db2.gz YMWMXRBUPFWSED-HZPDHXFCSA-N 1 3 365.522 0.713 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496395287 490115399 /nfs/dbraw/zinc/11/53/99/490115399.db2.gz PFKCOPFICLRLML-UHFFFAOYSA-N 1 3 367.538 0.071 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496395287 490115406 /nfs/dbraw/zinc/11/54/06/490115406.db2.gz PFKCOPFICLRLML-UHFFFAOYSA-N 1 3 367.538 0.071 20 0 FCADHO CN1CCC(O)(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446050099 490150354 /nfs/dbraw/zinc/15/03/54/490150354.db2.gz DCANIIAZQGGNNV-UHFFFAOYSA-N 1 3 362.474 0.302 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460151 490151802 /nfs/dbraw/zinc/15/18/02/490151802.db2.gz ZAFGTTFMMUEXCN-NVXWUHKLSA-N 1 3 366.506 0.322 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460151 490151807 /nfs/dbraw/zinc/15/18/07/490151807.db2.gz ZAFGTTFMMUEXCN-NVXWUHKLSA-N 1 3 366.506 0.322 20 0 FCADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446288165 490158451 /nfs/dbraw/zinc/15/84/51/490158451.db2.gz NYPMYTILCQSSPA-SQGPQFPESA-N 1 3 366.550 0.909 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000497509693 490169719 /nfs/dbraw/zinc/16/97/19/490169719.db2.gz XIRSZFVANHTIMR-QGZVFWFLSA-N 1 3 357.568 0.703 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000497685982 490195268 /nfs/dbraw/zinc/19/52/68/490195268.db2.gz FHTMSHLWDOHLDV-IXDOHACOSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000497685982 490195274 /nfs/dbraw/zinc/19/52/74/490195274.db2.gz FHTMSHLWDOHLDV-IXDOHACOSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CCN2CCCC2)CC1 ZINC000497714993 490201760 /nfs/dbraw/zinc/20/17/60/490201760.db2.gz CWVZUHQSVJRCNU-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO O=C(NCC1(N2CCCC2)CCOCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000521231469 490238641 /nfs/dbraw/zinc/23/86/41/490238641.db2.gz NWLWKKBRHIVUIR-OAHLLOKOSA-N 1 3 362.478 0.405 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000571464510 491310108 /nfs/dbraw/zinc/31/01/08/491310108.db2.gz WBVZUBQDRIMSJU-HNNXBMFYSA-N 1 3 364.494 0.620 20 0 FCADHO CN(CCNC(=O)C1CCN(C(=O)C2([NH3+])CC2)CC1)Cc1ccccc1 ZINC000498157630 490264914 /nfs/dbraw/zinc/26/49/14/490264914.db2.gz QZKIFRFVBRFICK-UHFFFAOYSA-N 1 3 358.486 0.965 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093979 490297877 /nfs/dbraw/zinc/29/78/77/490297877.db2.gz FKDQDUVSDFDLAS-HNNXBMFYSA-N 1 3 350.463 0.884 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccco1 ZINC000508093979 490297881 /nfs/dbraw/zinc/29/78/81/490297881.db2.gz FKDQDUVSDFDLAS-HNNXBMFYSA-N 1 3 350.463 0.884 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000483433125 490317549 /nfs/dbraw/zinc/31/75/49/490317549.db2.gz XVOCNAQZPXQVKN-JKSUJKDBSA-N 1 3 368.522 0.545 20 0 FCADHO CCNC(=O)CN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000508389576 490325978 /nfs/dbraw/zinc/32/59/78/490325978.db2.gz YQRVNHRPBCYZHM-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000522187721 490350948 /nfs/dbraw/zinc/35/09/48/490350948.db2.gz ZMKRZXZTRGYLSE-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000522187721 490350959 /nfs/dbraw/zinc/35/09/59/490350959.db2.gz ZMKRZXZTRGYLSE-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CCc1ccccc1[C@@H](N)CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000564729017 491323164 /nfs/dbraw/zinc/32/31/64/491323164.db2.gz WEODXARAKMCJCN-HNNXBMFYSA-N 1 3 353.488 0.532 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522309423 490370280 /nfs/dbraw/zinc/37/02/80/490370280.db2.gz NCUGTBZCLNSMNQ-GDBMZVCRSA-N 1 3 351.495 0.465 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522309423 490370285 /nfs/dbraw/zinc/37/02/85/490370285.db2.gz NCUGTBZCLNSMNQ-GDBMZVCRSA-N 1 3 351.495 0.465 20 0 FCADHO CN(C)CCN1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000534718748 490401526 /nfs/dbraw/zinc/40/15/26/490401526.db2.gz WQPYWQHJXXBSEE-UHFFFAOYSA-N 1 3 368.570 0.338 20 0 FCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411247872 490414785 /nfs/dbraw/zinc/41/47/85/490414785.db2.gz WMMHVHLMPWXYIH-UHFFFAOYSA-N 1 3 354.426 0.773 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624656 490431863 /nfs/dbraw/zinc/43/18/63/490431863.db2.gz CMYZHVQFUXJJMB-JCYILVPMSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1=O ZINC000468802909 490448592 /nfs/dbraw/zinc/44/85/92/490448592.db2.gz CPXDBFSTUXIQJQ-OAHLLOKOSA-N 1 3 362.474 0.976 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000523481629 490468176 /nfs/dbraw/zinc/46/81/76/490468176.db2.gz HZNSCOASKCUNDU-CVEARBPZSA-N 1 3 355.527 0.959 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000509831475 490469038 /nfs/dbraw/zinc/46/90/38/490469038.db2.gz CBKWCCBYCJJWGL-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000509831475 490469045 /nfs/dbraw/zinc/46/90/45/490469045.db2.gz CBKWCCBYCJJWGL-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422837262 490482560 /nfs/dbraw/zinc/48/25/60/490482560.db2.gz LRUVRSHFTVDYRG-WBVHZDCISA-N 1 3 354.539 0.970 20 0 FCADHO CCOC(=O)C1([C@H](C)N[C@@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846244 490485216 /nfs/dbraw/zinc/48/52/16/490485216.db2.gz FEPIQQFWRBHWFS-GJZGRUSLSA-N 1 3 355.479 0.535 20 0 FCADHO CC[N@H+](CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000523914465 490503550 /nfs/dbraw/zinc/50/35/50/490503550.db2.gz HDXWNDQGJZGMOF-INIZCTEOSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@@H+](CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000523914465 490503555 /nfs/dbraw/zinc/50/35/55/490503555.db2.gz HDXWNDQGJZGMOF-INIZCTEOSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499878 490536058 /nfs/dbraw/zinc/53/60/58/490536058.db2.gz DRDOKNWBPRLWDV-CABCVRRESA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499878 490536065 /nfs/dbraw/zinc/53/60/65/490536065.db2.gz DRDOKNWBPRLWDV-CABCVRRESA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558356 490542421 /nfs/dbraw/zinc/54/24/21/490542421.db2.gz BVMHNBRECQCMKW-QAPCUYQASA-N 1 3 358.486 0.834 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558356 490542425 /nfs/dbraw/zinc/54/24/25/490542425.db2.gz BVMHNBRECQCMKW-QAPCUYQASA-N 1 3 358.486 0.834 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000485805221 490560396 /nfs/dbraw/zinc/56/03/96/490560396.db2.gz LBWMBHMRYFOBGF-BZUAXINKSA-N 1 3 364.494 0.822 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830070 490562053 /nfs/dbraw/zinc/56/20/53/490562053.db2.gz MTJOQLDZGABUSO-JKSUJKDBSA-N 1 3 363.510 0.206 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@H+](CC3CCC3)CC2)CC1=O ZINC000549720723 490596517 /nfs/dbraw/zinc/59/65/17/490596517.db2.gz PFTDNCGSHVCOJQ-QGZVFWFLSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1=O ZINC000549720723 490596519 /nfs/dbraw/zinc/59/65/19/490596519.db2.gz PFTDNCGSHVCOJQ-QGZVFWFLSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000537159582 490654730 /nfs/dbraw/zinc/65/47/30/490654730.db2.gz ZWKWZUUUWNSHDD-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000537159582 490654738 /nfs/dbraw/zinc/65/47/38/490654738.db2.gz ZWKWZUUUWNSHDD-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCO1 ZINC000550324579 490661017 /nfs/dbraw/zinc/66/10/17/490661017.db2.gz WPODIKSGMPTWPG-OAHLLOKOSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCO1 ZINC000550324579 490661021 /nfs/dbraw/zinc/66/10/21/490661021.db2.gz WPODIKSGMPTWPG-OAHLLOKOSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)N1CCc2ccccc21 ZINC000512249187 490667550 /nfs/dbraw/zinc/66/75/50/490667550.db2.gz LYCIDMVWORXVCH-GOSISDBHSA-N 1 3 374.529 0.944 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527124400 490701570 /nfs/dbraw/zinc/70/15/70/490701570.db2.gz PKRMEDDHEJAYLN-OAHLLOKOSA-N 1 3 362.474 0.752 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483858 490734242 /nfs/dbraw/zinc/73/42/42/490734242.db2.gz LZNAEISOCFZKCW-HOTGVXAUSA-N 1 3 370.538 0.648 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000488618719 490767812 /nfs/dbraw/zinc/76/78/12/490767812.db2.gz GQXDFTZXZSJZDF-VQIMIIECSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000488618719 490767815 /nfs/dbraw/zinc/76/78/15/490767815.db2.gz GQXDFTZXZSJZDF-VQIMIIECSA-N 1 3 365.522 0.666 20 0 FCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000557113384 491354045 /nfs/dbraw/zinc/35/40/45/491354045.db2.gz BPNJYLJHBYKQPB-IBGZPJMESA-N 1 3 359.518 0.896 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122224 491354598 /nfs/dbraw/zinc/35/45/98/491354598.db2.gz QHTCZRRSNWNZEH-BZUAXINKSA-N 1 3 350.507 0.964 20 0 FCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000514663236 490779830 /nfs/dbraw/zinc/77/98/30/490779830.db2.gz HZUGRZLEGQFEDN-CABCVRRESA-N 1 3 359.465 0.795 20 0 FCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000514663236 490779833 /nfs/dbraw/zinc/77/98/33/490779833.db2.gz HZUGRZLEGQFEDN-CABCVRRESA-N 1 3 359.465 0.795 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000514925115 490798195 /nfs/dbraw/zinc/79/81/95/490798195.db2.gz JNJDOJNWZZYTBN-MSOLQXFVSA-N 1 3 362.474 0.565 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049581 490805102 /nfs/dbraw/zinc/80/51/02/490805102.db2.gz AEXKNGIGPQMBDQ-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672706 490835395 /nfs/dbraw/zinc/83/53/95/490835395.db2.gz JEHVNLKEEHHRDX-KURKYZTESA-N 1 3 371.485 0.777 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000673484468 493334530 /nfs/dbraw/zinc/33/45/30/493334530.db2.gz WZEYFFCVQGGJDD-OAQYLSRUSA-N 1 3 372.513 0.772 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCCO4)C2)C1 ZINC000516914797 490884539 /nfs/dbraw/zinc/88/45/39/490884539.db2.gz KWJDISBFRCQEOC-LJQANCHMSA-N 1 3 358.442 0.661 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCCO4)C2)C1 ZINC000516914797 490884541 /nfs/dbraw/zinc/88/45/41/490884541.db2.gz KWJDISBFRCQEOC-LJQANCHMSA-N 1 3 358.442 0.661 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000517157821 490896716 /nfs/dbraw/zinc/89/67/16/490896716.db2.gz VZSCRVRSUSIBMC-HNNXBMFYSA-N 1 3 356.511 0.308 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000517157821 490896719 /nfs/dbraw/zinc/89/67/19/490896719.db2.gz VZSCRVRSUSIBMC-HNNXBMFYSA-N 1 3 356.511 0.308 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)CC2)CC1 ZINC000517173289 490897683 /nfs/dbraw/zinc/89/76/83/490897683.db2.gz WCPLZTOITXFCFF-CJNGLKHVSA-N 1 3 355.479 0.221 20 0 FCADHO CN1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000517541850 490910927 /nfs/dbraw/zinc/91/09/27/490910927.db2.gz CCJLMUWSTQGDIK-MSOLQXFVSA-N 1 3 373.501 0.041 20 0 FCADHO COC[C@@]1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000517735886 490918818 /nfs/dbraw/zinc/91/88/18/490918818.db2.gz ASSYAEXWVMOTEO-HXUWFJFHSA-N 1 3 361.486 0.886 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCN1C ZINC000517821308 490922525 /nfs/dbraw/zinc/92/25/25/490922525.db2.gz RRQUPTKONPAECT-CVEARBPZSA-N 1 3 353.511 0.761 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000517950811 490925755 /nfs/dbraw/zinc/92/57/55/490925755.db2.gz XHKNKZYDDAXIHP-MRXNPFEDSA-N 1 3 354.495 0.143 20 0 FCADHO CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218829 490933719 /nfs/dbraw/zinc/93/37/19/490933719.db2.gz MXBKPAAWMIZOSD-IXDOHACOSA-N 1 3 365.522 0.696 20 0 FCADHO CN1CC[NH2+]C[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000572362626 491365281 /nfs/dbraw/zinc/36/52/81/491365281.db2.gz VYYDQHPUQFZZTN-IBGZPJMESA-N 1 3 359.518 0.609 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000531118817 490941668 /nfs/dbraw/zinc/94/16/68/490941668.db2.gz HHUANMUOABWNAV-UHFFFAOYSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565255347 491366301 /nfs/dbraw/zinc/36/63/01/491366301.db2.gz RRZGZGMFZMQXHO-DLBZAZTESA-N 1 3 359.474 0.592 20 0 FCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565255347 491366303 /nfs/dbraw/zinc/36/63/03/491366303.db2.gz RRZGZGMFZMQXHO-DLBZAZTESA-N 1 3 359.474 0.592 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000519227971 490966356 /nfs/dbraw/zinc/96/63/56/490966356.db2.gz WEZYRBRSGSWBRX-XHSDSOJGSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000519435385 490972352 /nfs/dbraw/zinc/97/23/52/490972352.db2.gz NYCIKROOKWPUDH-KRWDZBQOSA-N 1 3 356.536 0.483 20 0 FCADHO CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC000544685789 490976366 /nfs/dbraw/zinc/97/63/66/490976366.db2.gz RJJKYTSNPGHNBM-ARFHVFGLSA-N 1 3 368.547 0.435 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000565292901 491367725 /nfs/dbraw/zinc/36/77/25/491367725.db2.gz OAFDSVOKVKRBCY-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000544784873 490981299 /nfs/dbraw/zinc/98/12/99/490981299.db2.gz IYLUNVLFWCMSOX-SFHVURJKSA-N 1 3 352.523 0.367 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000519754345 490988484 /nfs/dbraw/zinc/98/84/84/490988484.db2.gz NLAGDQOBFBOSJO-OAHLLOKOSA-N 1 3 358.486 0.399 20 0 FCADHO CSC1(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)CC[NH+](C)CC1 ZINC000569518919 491166015 /nfs/dbraw/zinc/16/60/15/491166015.db2.gz YEYRTICSDFUGGY-INIZCTEOSA-N 1 3 371.595 0.997 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C ZINC000554029323 491170824 /nfs/dbraw/zinc/17/08/24/491170824.db2.gz GKDCGXIPDJVQFP-HOTGVXAUSA-N 1 3 368.522 0.545 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000565549300 491384082 /nfs/dbraw/zinc/38/40/82/491384082.db2.gz LDCARFGCBXZOPF-GVDBMIGSSA-N 1 3 359.474 0.113 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000565769295 491398517 /nfs/dbraw/zinc/39/85/17/491398517.db2.gz YPWAPTOBFTWFNT-CQSZACIVSA-N 1 3 352.504 0.836 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H](C)C1 ZINC000573102921 491412939 /nfs/dbraw/zinc/41/29/39/491412939.db2.gz RBSNOBZYFHYIMY-JKSUJKDBSA-N 1 3 356.511 0.260 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H](C)C1 ZINC000573102921 491412942 /nfs/dbraw/zinc/41/29/42/491412942.db2.gz RBSNOBZYFHYIMY-JKSUJKDBSA-N 1 3 356.511 0.260 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)NC[C@H]3CNCCO3)CCCC2)CC1 ZINC000573308094 491425245 /nfs/dbraw/zinc/42/52/45/491425245.db2.gz HBZBQGOJVZLARI-MRXNPFEDSA-N 1 3 354.495 0.698 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566223852 491427301 /nfs/dbraw/zinc/42/73/01/491427301.db2.gz MMVCPNAOSOMQLX-XHSDSOJGSA-N 1 3 369.535 0.809 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000573346512 491428241 /nfs/dbraw/zinc/42/82/41/491428241.db2.gz DZEBSDPKAFMWHJ-BBWFWOEESA-N 1 3 363.506 0.323 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000566236858 491428780 /nfs/dbraw/zinc/42/87/80/491428780.db2.gz CEFSDMFFNAFHHB-CRAIPNDOSA-N 1 3 358.486 0.919 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000558418630 491429804 /nfs/dbraw/zinc/42/98/04/491429804.db2.gz KMDYXODUEQJHSP-CQSZACIVSA-N 1 3 362.465 0.880 20 0 FCADHO CCN1CCC(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000668374106 493342755 /nfs/dbraw/zinc/34/27/55/493342755.db2.gz SSMXSZQUZKUWHD-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](CO)OC[C@@H]3C)CC2)CC1 ZINC000566439721 491443829 /nfs/dbraw/zinc/44/38/29/491443829.db2.gz LTWIICXWMMMWAI-YJBOKZPZSA-N 1 3 353.507 0.791 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566728280 491462752 /nfs/dbraw/zinc/46/27/52/491462752.db2.gz VHPIWHHZRUBSCW-SJORKVTESA-N 1 3 359.474 0.634 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C(N)=O)nc3)CC2)CC1 ZINC000574098954 491474619 /nfs/dbraw/zinc/47/46/19/491474619.db2.gz VRQZSJZRIAEVKB-UHFFFAOYSA-N 1 3 373.501 0.993 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1(C)C ZINC000559461672 491475423 /nfs/dbraw/zinc/47/54/23/491475423.db2.gz USILVIUHFXEGKQ-UHFFFAOYSA-N 1 3 367.538 0.121 20 0 FCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000574308188 491488025 /nfs/dbraw/zinc/48/80/25/491488025.db2.gz QPJSVKDGVDQJMR-KRWDZBQOSA-N 1 3 367.538 0.058 20 0 FCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000574308188 491488026 /nfs/dbraw/zinc/48/80/26/491488026.db2.gz QPJSVKDGVDQJMR-KRWDZBQOSA-N 1 3 367.538 0.058 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000574328507 491489351 /nfs/dbraw/zinc/48/93/51/491489351.db2.gz RTVJTIKMPYGGTK-IBGZPJMESA-N 1 3 359.518 0.527 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CNCc2ccccc21 ZINC000574451401 491497958 /nfs/dbraw/zinc/49/79/58/491497958.db2.gz NYDJNMVFIBBZEE-GJZGRUSLSA-N 1 3 356.392 0.826 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466453 491499400 /nfs/dbraw/zinc/49/94/00/491499400.db2.gz GRUQHKHRPXWEDX-ZWKOTPCHSA-N 1 3 371.485 0.736 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000574511048 491501707 /nfs/dbraw/zinc/50/17/07/491501707.db2.gz RSTBQFYOYQKMLN-WBVHZDCISA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000567368995 491502422 /nfs/dbraw/zinc/50/24/22/491502422.db2.gz NSUWCMXVHCPQQS-XUWVNRHRSA-N 1 3 365.522 0.696 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000567368995 491502425 /nfs/dbraw/zinc/50/24/25/491502425.db2.gz NSUWCMXVHCPQQS-XUWVNRHRSA-N 1 3 365.522 0.696 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000559862370 491505612 /nfs/dbraw/zinc/50/56/12/491505612.db2.gz LBEFEVPMQJYJRN-YJBOKZPZSA-N 1 3 370.563 0.730 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000559862370 491505613 /nfs/dbraw/zinc/50/56/13/491505613.db2.gz LBEFEVPMQJYJRN-YJBOKZPZSA-N 1 3 370.563 0.730 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000559862364 491505881 /nfs/dbraw/zinc/50/58/81/491505881.db2.gz LBEFEVPMQJYJRN-MAUKXSAKSA-N 1 3 370.563 0.730 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000559862364 491505885 /nfs/dbraw/zinc/50/58/85/491505885.db2.gz LBEFEVPMQJYJRN-MAUKXSAKSA-N 1 3 370.563 0.730 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000559868487 491506848 /nfs/dbraw/zinc/50/68/48/491506848.db2.gz YIXZDAZZGVMFEW-GOSISDBHSA-N 1 3 368.547 0.531 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)NCCN3CC[NH2+]CC3)c2)CC1 ZINC000574663801 491511771 /nfs/dbraw/zinc/51/17/71/491511771.db2.gz PEFRJRCNURAEMU-UHFFFAOYSA-N 1 3 360.506 0.855 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@H]3C(=O)OC)CC2)CC1 ZINC000574701507 491514679 /nfs/dbraw/zinc/51/46/79/491514679.db2.gz DMUZMSDMUFAJPB-KRWDZBQOSA-N 1 3 367.490 0.583 20 0 FCADHO O=C1c2ccccc2C(=O)N1C[C@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000567734698 491526016 /nfs/dbraw/zinc/52/60/16/491526016.db2.gz UQSRQNUBJJXYGX-OAHLLOKOSA-N 1 3 361.442 0.080 20 0 FCADHO Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)no1 ZINC000574989799 491532138 /nfs/dbraw/zinc/53/21/38/491532138.db2.gz OLQFJYGBTONQGX-ROUUACIJSA-N 1 3 372.469 1.564 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000575057827 491536628 /nfs/dbraw/zinc/53/66/28/491536628.db2.gz QVLUWWVMIAWTOD-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1=O ZINC000567982821 491544582 /nfs/dbraw/zinc/54/45/82/491544582.db2.gz SXRVQJMNFTUGJN-BWVQPMQLSA-N 1 3 362.518 0.666 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000560733967 491554139 /nfs/dbraw/zinc/55/41/39/491554139.db2.gz AJURHSGYDWSLNE-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)N1CCC(C)CC1 ZINC000560763096 491555599 /nfs/dbraw/zinc/55/55/99/491555599.db2.gz LOESDANNJKWLQI-HZPDHXFCSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)N1CCC(C)CC1 ZINC000560763096 491555601 /nfs/dbraw/zinc/55/56/01/491555601.db2.gz LOESDANNJKWLQI-HZPDHXFCSA-N 1 3 350.507 0.990 20 0 FCADHO CN1CCC(Nc2ccccc2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000575871983 491566681 /nfs/dbraw/zinc/56/66/81/491566681.db2.gz ZPIXIGATDXJZDH-KRWDZBQOSA-N 1 3 359.474 0.999 20 0 FCADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000568287735 491566874 /nfs/dbraw/zinc/56/68/74/491566874.db2.gz IABVNEVCSSTKSI-GVDBMIGSSA-N 1 3 359.474 0.763 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000575901178 491568781 /nfs/dbraw/zinc/56/87/81/491568781.db2.gz CSXKYXCBHZSLJK-OAHLLOKOSA-N 1 3 362.474 0.441 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000575902760 491569306 /nfs/dbraw/zinc/56/93/06/491569306.db2.gz XNFOGCLDJMDKDJ-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000576155750 491587422 /nfs/dbraw/zinc/58/74/22/491587422.db2.gz CEMZVLUKWOISNB-GOSISDBHSA-N 1 3 358.486 0.932 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1ccnn1C ZINC000576176202 491589541 /nfs/dbraw/zinc/58/95/41/491589541.db2.gz CXHYESFOAQMDGK-INIZCTEOSA-N 1 3 351.495 0.811 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1ccnn1C ZINC000576176202 491589546 /nfs/dbraw/zinc/58/95/46/491589546.db2.gz CXHYESFOAQMDGK-INIZCTEOSA-N 1 3 351.495 0.811 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000569002300 491625993 /nfs/dbraw/zinc/62/59/93/491625993.db2.gz ASJHJHOKMIZYGD-CAOSSQGBSA-N 1 3 368.522 0.576 20 0 FCADHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703534 491637562 /nfs/dbraw/zinc/63/75/62/491637562.db2.gz JYZQOCDISXXDKP-HZPDHXFCSA-N 1 3 366.458 0.837 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569251166 491646136 /nfs/dbraw/zinc/64/61/36/491646136.db2.gz JPCGDCXKOSKXMA-ZBFHGGJFSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000569251166 491646138 /nfs/dbraw/zinc/64/61/38/491646138.db2.gz JPCGDCXKOSKXMA-ZBFHGGJFSA-N 1 3 350.507 0.824 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849740 491650654 /nfs/dbraw/zinc/65/06/54/491650654.db2.gz DJPBWHOLFRYOLJ-BSDSXHPESA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849740 491650659 /nfs/dbraw/zinc/65/06/59/491650659.db2.gz DJPBWHOLFRYOLJ-BSDSXHPESA-N 1 3 374.460 0.822 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000578011017 491667771 /nfs/dbraw/zinc/66/77/71/491667771.db2.gz MACUHBNKOLMXTA-UHFFFAOYSA-N 1 3 362.474 0.363 20 0 FCADHO O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000578497241 491678336 /nfs/dbraw/zinc/67/83/36/491678336.db2.gz IQKSYFWIOKCUJE-ZWKOTPCHSA-N 1 3 362.518 0.921 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000578497675 491678439 /nfs/dbraw/zinc/67/84/39/491678439.db2.gz UDRFUPNGAODJLF-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO NC(=O)NC(=O)CCNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000579112126 491691226 /nfs/dbraw/zinc/69/12/26/491691226.db2.gz APHIXEJALITHHS-OAHLLOKOSA-N 1 3 361.446 0.059 20 0 FCADHO NC(=O)NC(=O)CCNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000579112126 491691227 /nfs/dbraw/zinc/69/12/27/491691227.db2.gz APHIXEJALITHHS-OAHLLOKOSA-N 1 3 361.446 0.059 20 0 FCADHO Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000579616262 491701734 /nfs/dbraw/zinc/70/17/34/491701734.db2.gz KPXOEBSSKPNSAO-ZACQAIPSSA-N 1 3 359.474 0.551 20 0 FCADHO O=C(NC1CC[NH2+]CC1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000579692575 491703104 /nfs/dbraw/zinc/70/31/04/491703104.db2.gz HCVAROWZZIHGRF-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1)CC[NH2+]CC2 ZINC000579824081 491705953 /nfs/dbraw/zinc/70/59/53/491705953.db2.gz YGJZUKHAWQZZQB-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000579952822 491710788 /nfs/dbraw/zinc/71/07/88/491710788.db2.gz QWDONJWAUWJYGQ-HUUCEWRRSA-N 1 3 364.490 0.827 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C[NH+]1CCCCC1 ZINC000580006180 491713447 /nfs/dbraw/zinc/71/34/47/491713447.db2.gz OOODIOQGGBMAOA-CVEARBPZSA-N 1 3 350.507 0.991 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584778589 491713814 /nfs/dbraw/zinc/71/38/14/491713814.db2.gz PNMOVXBXFFCZSZ-WMLDXEAASA-N 1 3 359.474 0.591 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584836156 491716482 /nfs/dbraw/zinc/71/64/82/491716482.db2.gz BDDFCUIASCTCDB-CRAIPNDOSA-N 1 3 373.501 0.982 20 0 FCADHO CN(C[C@H]1COCCO1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660575577 493362806 /nfs/dbraw/zinc/36/28/06/493362806.db2.gz WIADEEREWSJKHX-KRWDZBQOSA-N 1 3 354.495 0.602 20 0 FCADHO CC(C)n1cc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000580667897 491740920 /nfs/dbraw/zinc/74/09/20/491740920.db2.gz UDCBZYCAXDFNLY-HNNXBMFYSA-N 1 3 366.510 0.593 20 0 FCADHO CC[N@H+](CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C(C)C ZINC000588294724 491743843 /nfs/dbraw/zinc/74/38/43/491743843.db2.gz IJIMBXDMBCXGRW-INIZCTEOSA-N 1 3 355.527 0.959 20 0 FCADHO CC[N@@H+](CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C(C)C ZINC000588294724 491743844 /nfs/dbraw/zinc/74/38/44/491743844.db2.gz IJIMBXDMBCXGRW-INIZCTEOSA-N 1 3 355.527 0.959 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882636 491750049 /nfs/dbraw/zinc/75/00/49/491750049.db2.gz GFAJBRMXPCQVMT-XBFCOCLRSA-N 1 3 363.428 0.604 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000590817504 491787528 /nfs/dbraw/zinc/78/75/28/491787528.db2.gz FFHVRONTQXWYHK-UHFFFAOYSA-N 1 3 361.446 0.455 20 0 FCADHO CC(=O)N1CCN(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891536 491789030 /nfs/dbraw/zinc/78/90/30/491789030.db2.gz OBZJKKKIUKLFNX-UYAOXDASSA-N 1 3 358.486 0.996 20 0 FCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581895888 491789620 /nfs/dbraw/zinc/78/96/20/491789620.db2.gz RXFGDHHDPZPJNZ-ARFHVFGLSA-N 1 3 351.495 0.450 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000582235620 491803611 /nfs/dbraw/zinc/80/36/11/491803611.db2.gz IFSBSRRQTHRVNL-QKLQHJQFSA-N 1 3 356.470 0.494 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000582235620 491803614 /nfs/dbraw/zinc/80/36/14/491803614.db2.gz IFSBSRRQTHRVNL-QKLQHJQFSA-N 1 3 356.470 0.494 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)CC2 ZINC000582653615 491821277 /nfs/dbraw/zinc/82/12/77/491821277.db2.gz DJMRPZNDWYBRTF-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO COC1CCN(C2(CNC(=O)c3cn(CCC[NH3+])nn3)CCCC2)CC1 ZINC000584111197 491858624 /nfs/dbraw/zinc/85/86/24/491858624.db2.gz QOILAKMBJTULEW-UHFFFAOYSA-N 1 3 364.494 0.780 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000584172771 491860006 /nfs/dbraw/zinc/86/00/06/491860006.db2.gz DLXPXVNUOHOQBK-UONOGXRCSA-N 1 3 352.454 0.958 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1=O ZINC000594871817 491868927 /nfs/dbraw/zinc/86/89/27/491868927.db2.gz GAEORKMDILNVQT-RCCFBDPRSA-N 1 3 362.518 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1=O ZINC000594871817 491868929 /nfs/dbraw/zinc/86/89/29/491868929.db2.gz GAEORKMDILNVQT-RCCFBDPRSA-N 1 3 362.518 0.920 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000612547524 491932454 /nfs/dbraw/zinc/93/24/54/491932454.db2.gz FJRQVXWXDLDPAZ-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612603759 491938452 /nfs/dbraw/zinc/93/84/52/491938452.db2.gz LLGLKADVQMRTQU-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612603759 491938456 /nfs/dbraw/zinc/93/84/56/491938456.db2.gz LLGLKADVQMRTQU-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612603755 491938616 /nfs/dbraw/zinc/93/86/16/491938616.db2.gz LLGLKADVQMRTQU-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612603755 491938618 /nfs/dbraw/zinc/93/86/18/491938618.db2.gz LLGLKADVQMRTQU-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000612740087 491948455 /nfs/dbraw/zinc/94/84/55/491948455.db2.gz WZTOEDMONFQESH-SHTZXODSSA-N 1 3 356.511 0.401 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000597409256 492036554 /nfs/dbraw/zinc/03/65/54/492036554.db2.gz QMZGUDJBILCEBN-HNNXBMFYSA-N 1 3 355.527 0.959 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606701250 492127285 /nfs/dbraw/zinc/12/72/85/492127285.db2.gz ZBBNOHQEBOFDKJ-MRXNPFEDSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000607245645 492142263 /nfs/dbraw/zinc/14/22/63/492142263.db2.gz LRVPMBZXNZVMKX-HZPDHXFCSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H]1CC(=O)NCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000608660177 492184810 /nfs/dbraw/zinc/18/48/10/492184810.db2.gz BZAIOHSKUJPFBM-CQSZACIVSA-N 1 3 351.495 0.465 20 0 FCADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000627462101 492305782 /nfs/dbraw/zinc/30/57/82/492305782.db2.gz JCIAONMNRZIFJV-UHFFFAOYSA-N 1 3 370.538 0.698 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642094915 492333950 /nfs/dbraw/zinc/33/39/50/492333950.db2.gz ROONYMSLJCJXOC-BZSNNMDCSA-N 1 3 358.486 0.486 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000642344795 492353487 /nfs/dbraw/zinc/35/34/87/492353487.db2.gz YQHNSBLQBGPAPM-UHFFFAOYSA-N 1 3 368.547 0.723 20 0 FCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634703078 492360518 /nfs/dbraw/zinc/36/05/18/492360518.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 1 3 374.529 0.800 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642645037 492369840 /nfs/dbraw/zinc/36/98/40/492369840.db2.gz GCSAADZBWIDGIJ-GVDBMIGSSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)Cc2ccccc2C1 ZINC000642725995 492380617 /nfs/dbraw/zinc/38/06/17/492380617.db2.gz XPRVABHVBUUPKR-YJBOKZPZSA-N 1 3 370.497 0.412 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000642731741 492382188 /nfs/dbraw/zinc/38/21/88/492382188.db2.gz YLGCTCKAVHQGAW-UHFFFAOYSA-N 1 3 350.507 0.827 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642732919 492382886 /nfs/dbraw/zinc/38/28/86/492382886.db2.gz CLJZKHDRVBCNGP-IEBWSBKVSA-N 1 3 370.497 0.761 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000642789436 492392553 /nfs/dbraw/zinc/39/25/53/492392553.db2.gz GTFKXQORNHMPFD-CVEARBPZSA-N 1 3 350.507 0.955 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000635121790 492395868 /nfs/dbraw/zinc/39/58/68/492395868.db2.gz BIZJHMVCZRFWFW-UHFFFAOYSA-N 1 3 364.494 0.189 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903936 492400289 /nfs/dbraw/zinc/40/02/89/492400289.db2.gz PCYIRVHOHAZRCS-HNNXBMFYSA-N 1 3 352.504 0.897 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918080 492403255 /nfs/dbraw/zinc/40/32/55/492403255.db2.gz MGCVFYFULLHRGY-UHFFFAOYSA-N 1 3 350.438 0.584 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924107 492404416 /nfs/dbraw/zinc/40/44/16/492404416.db2.gz LDKMSKBTQVCAPF-AEFFLSMTSA-N 1 3 356.470 0.588 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924107 492404420 /nfs/dbraw/zinc/40/44/20/492404420.db2.gz LDKMSKBTQVCAPF-AEFFLSMTSA-N 1 3 356.470 0.588 20 0 FCADHO N[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000642921660 492405056 /nfs/dbraw/zinc/40/50/56/492405056.db2.gz FWWCFUZLVXDXIR-KRWDZBQOSA-N 1 3 353.426 0.546 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983100 492410933 /nfs/dbraw/zinc/41/09/33/492410933.db2.gz GFVFNOOGVIGECN-SJLPKXTDSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983100 492410937 /nfs/dbraw/zinc/41/09/37/492410937.db2.gz GFVFNOOGVIGECN-SJLPKXTDSA-N 1 3 356.470 0.849 20 0 FCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1CCN(c3ccncc3)CC1)C2 ZINC000621845395 492425295 /nfs/dbraw/zinc/42/52/95/492425295.db2.gz IRHFUIDQHKSJIY-UZLBHIALSA-N 1 3 371.485 0.754 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000648839045 492464471 /nfs/dbraw/zinc/46/44/71/492464471.db2.gz IRXCIXXEGQVCEQ-NXHRZFHOSA-N 1 3 360.502 0.732 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)CC[N@H+]1C ZINC000648839045 492464473 /nfs/dbraw/zinc/46/44/73/492464473.db2.gz IRXCIXXEGQVCEQ-NXHRZFHOSA-N 1 3 360.502 0.732 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2ccncc2)CC1 ZINC000643478993 492475080 /nfs/dbraw/zinc/47/50/80/492475080.db2.gz ZKBWVYHHZQZWFT-IAGOWNOFSA-N 1 3 371.485 0.578 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000643500315 492482946 /nfs/dbraw/zinc/48/29/46/492482946.db2.gz BTOVXMYCGSYXQX-KRWDZBQOSA-N 1 3 350.507 0.777 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502453 492483592 /nfs/dbraw/zinc/48/35/92/492483592.db2.gz GXCOAETUBQHTKE-IRXDYDNUSA-N 1 3 350.507 0.779 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643531851 492492081 /nfs/dbraw/zinc/49/20/81/492492081.db2.gz PRYRZVSUDGSPAK-RXVVDRJESA-N 1 3 370.497 0.931 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532540 492492758 /nfs/dbraw/zinc/49/27/58/492492758.db2.gz TYPJCXCTJYDZCC-INDMIFKZSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532540 492492763 /nfs/dbraw/zinc/49/27/63/492492763.db2.gz TYPJCXCTJYDZCC-INDMIFKZSA-N 1 3 370.497 0.882 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CCO1 ZINC000643577750 492499953 /nfs/dbraw/zinc/49/99/53/492499953.db2.gz SRAYRDRNLRAUFW-HOCLYGCPSA-N 1 3 366.462 0.135 20 0 FCADHO CN(C)C1(CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)Cc2ccccc2C1 ZINC000649338949 492539123 /nfs/dbraw/zinc/53/91/23/492539123.db2.gz PWISCORQKIGWTR-MRXNPFEDSA-N 1 3 354.458 0.642 20 0 FCADHO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)CC[C@H]1[NH3+] ZINC000649358932 492547222 /nfs/dbraw/zinc/54/72/22/492547222.db2.gz JFDQBBCMBRENHW-QBPKDAKJSA-N 1 3 350.507 0.905 20 0 FCADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000636155870 492557979 /nfs/dbraw/zinc/55/79/79/492557979.db2.gz CWVRIKNRSFCIFU-ROUUACIJSA-N 1 3 351.491 0.857 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000656300258 492577359 /nfs/dbraw/zinc/57/73/59/492577359.db2.gz MZYRDHDUGZXHCX-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO Cc1cccc(N2CC[NH+](CCC(=O)NCCN3CC[C@@H](O)C3)CC2)c1 ZINC000629173218 492582465 /nfs/dbraw/zinc/58/24/65/492582465.db2.gz NAMMERIJNUQDLD-LJQANCHMSA-N 1 3 360.502 0.690 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656336893 492601141 /nfs/dbraw/zinc/60/11/41/492601141.db2.gz DLHMDGCBHUHFGU-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656336893 492601144 /nfs/dbraw/zinc/60/11/44/492601144.db2.gz DLHMDGCBHUHFGU-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+](CCOc1cccc(CNc2nc(N)nc(N)n2)c1)C1CCOCC1 ZINC000623935044 492607295 /nfs/dbraw/zinc/60/72/95/492607295.db2.gz PTJLBNVZCQQUGU-UHFFFAOYSA-N 1 3 373.461 0.220 20 0 FCADHO C[N@@H+](CCOc1cccc(CNc2nc(N)nc(N)n2)c1)C1CCOCC1 ZINC000623935044 492607296 /nfs/dbraw/zinc/60/72/96/492607296.db2.gz PTJLBNVZCQQUGU-UHFFFAOYSA-N 1 3 373.461 0.220 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC000629813263 492684635 /nfs/dbraw/zinc/68/46/35/492684635.db2.gz IRMZRWMTYQSZNS-NDBYEHHHSA-N 1 3 362.396 0.135 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439646 492757834 /nfs/dbraw/zinc/75/78/34/492757834.db2.gz RXYPCLOBHOYUCN-MJGOQNOKSA-N 1 3 370.538 0.976 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439646 492757838 /nfs/dbraw/zinc/75/78/38/492757838.db2.gz RXYPCLOBHOYUCN-MJGOQNOKSA-N 1 3 370.538 0.976 20 0 FCADHO O=C(NCCN1CC[C@H](O)C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000637267773 492802166 /nfs/dbraw/zinc/80/21/66/492802166.db2.gz JOXNIIFUIGGROB-SFHVURJKSA-N 1 3 361.490 0.659 20 0 FCADHO O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000657873538 492807200 /nfs/dbraw/zinc/80/72/00/492807200.db2.gz JVAGCTCSEBPFPO-QGZVFWFLSA-N 1 3 357.458 0.427 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652159164 492889068 /nfs/dbraw/zinc/88/90/68/492889068.db2.gz SMZRTKNLDHWXJR-BBWFWOEESA-N 1 3 356.511 0.883 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652159166 492889159 /nfs/dbraw/zinc/88/91/59/492889159.db2.gz SMZRTKNLDHWXJR-ULQDDVLXSA-N 1 3 356.511 0.883 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638101279 492905321 /nfs/dbraw/zinc/90/53/21/492905321.db2.gz PEPVLFXQLCSKFB-NEPJUHHUSA-N 1 3 354.405 0.964 20 0 FCADHO CN1CCN(CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1(C)C ZINC000645492253 492914560 /nfs/dbraw/zinc/91/45/60/492914560.db2.gz OLBCIODFOZJRLS-UHFFFAOYSA-N 1 3 367.538 0.519 20 0 FCADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CN1CCNCC1 ZINC000638140317 492917894 /nfs/dbraw/zinc/91/78/94/492917894.db2.gz YSVYVNLSYKSTKD-UHFFFAOYSA-N 1 3 365.566 0.546 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000652390434 492922165 /nfs/dbraw/zinc/92/21/65/492922165.db2.gz PKIKXKUOKSAVCN-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626221472 492948182 /nfs/dbraw/zinc/94/81/82/492948182.db2.gz YTLIFVOFDQCBME-KRWDZBQOSA-N 1 3 361.490 0.935 20 0 FCADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000626221472 492948188 /nfs/dbraw/zinc/94/81/88/492948188.db2.gz YTLIFVOFDQCBME-KRWDZBQOSA-N 1 3 361.490 0.935 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652668359 492983068 /nfs/dbraw/zinc/98/30/68/492983068.db2.gz YJBYJXWAQJQDSM-MWDXBVQZSA-N 1 3 368.522 0.578 20 0 FCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684574 492989923 /nfs/dbraw/zinc/98/99/23/492989923.db2.gz ROWUBUHKKYARPG-NXOAAHMSSA-N 1 3 368.522 0.578 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000652737498 493014212 /nfs/dbraw/zinc/01/42/12/493014212.db2.gz LXSIOIZSEMABLH-DLBZAZTESA-N 1 3 350.507 0.779 20 0 FCADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653122680 493074895 /nfs/dbraw/zinc/07/48/95/493074895.db2.gz AVDYRPQFUKNLGH-PXNSSMCTSA-N 1 3 359.470 0.496 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653125093 493076558 /nfs/dbraw/zinc/07/65/58/493076558.db2.gz SLZJPCVCFGIJHX-IBGZPJMESA-N 1 3 361.534 0.719 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272003 493087761 /nfs/dbraw/zinc/08/77/61/493087761.db2.gz UXRTYPGZTNIKGU-IAGOWNOFSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CC1 ZINC000633030595 493105901 /nfs/dbraw/zinc/10/59/01/493105901.db2.gz VIDYNFSAOJOLJH-WMZOPIPTSA-N 1 3 371.485 0.728 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259096 493121211 /nfs/dbraw/zinc/12/12/11/493121211.db2.gz MZCGTTNWSHNCGR-DLBZAZTESA-N 1 3 351.491 0.689 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259096 493121212 /nfs/dbraw/zinc/12/12/12/493121212.db2.gz MZCGTTNWSHNCGR-DLBZAZTESA-N 1 3 351.491 0.689 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104665 493128273 /nfs/dbraw/zinc/12/82/73/493128273.db2.gz HCSJRYLXBFIQBB-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104665 493128275 /nfs/dbraw/zinc/12/82/75/493128275.db2.gz HCSJRYLXBFIQBB-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627293455 493137906 /nfs/dbraw/zinc/13/79/06/493137906.db2.gz UHYKBAPSEHCULD-DGCLKSJQSA-N 1 3 364.412 0.573 20 0 FCADHO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006178 493161904 /nfs/dbraw/zinc/16/19/04/493161904.db2.gz XQWPWHPCEOSUSA-DOTOQJQBSA-N 1 3 372.473 0.705 20 0 FCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659442990 493178369 /nfs/dbraw/zinc/17/83/69/493178369.db2.gz UQRJLMDUBOIQHI-LBPRGKRZSA-N 1 3 350.467 0.951 20 0 FCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659442990 493178377 /nfs/dbraw/zinc/17/83/77/493178377.db2.gz UQRJLMDUBOIQHI-LBPRGKRZSA-N 1 3 350.467 0.951 20 0 FCADHO CN(CCC[NH3+])Cc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228452 493186253 /nfs/dbraw/zinc/18/62/53/493186253.db2.gz AEQGIMRAEBLVFR-LJQANCHMSA-N 1 3 358.490 0.696 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627389802 493197179 /nfs/dbraw/zinc/19/71/79/493197179.db2.gz QNQFFYGHWVBWCD-NWDGAFQWSA-N 1 3 352.401 0.430 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627392653 493200027 /nfs/dbraw/zinc/20/00/27/493200027.db2.gz BCJYJSAJGJJKSJ-STQMWFEESA-N 1 3 366.428 0.820 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)n1 ZINC000659554242 493211113 /nfs/dbraw/zinc/21/11/13/493211113.db2.gz GAIMFRMOTUPYDT-UHFFFAOYSA-N 1 3 360.462 0.594 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000672700073 493236448 /nfs/dbraw/zinc/23/64/48/493236448.db2.gz YMYHOKLWABXOTK-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000672700073 493236450 /nfs/dbraw/zinc/23/64/50/493236450.db2.gz YMYHOKLWABXOTK-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]([NH3+])CNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000641443781 493237697 /nfs/dbraw/zinc/23/76/97/493237697.db2.gz WDPDETFAKIZGDO-IAGOWNOFSA-N 1 3 360.506 0.972 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC1CCN([C@@H]3CCOC3)CC1)CCO2 ZINC000666979366 493245505 /nfs/dbraw/zinc/24/55/05/493245505.db2.gz VDMHSCIMYZNKQK-QGZVFWFLSA-N 1 3 366.506 0.746 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000659678219 493247704 /nfs/dbraw/zinc/24/77/04/493247704.db2.gz VQDIBHGKIDGMBY-PMPSAXMXSA-N 1 3 354.495 0.189 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000659687754 493253642 /nfs/dbraw/zinc/25/36/42/493253642.db2.gz ZYQHOKLGNOGLPJ-UONOGXRCSA-N 1 3 352.504 0.800 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704418 493263112 /nfs/dbraw/zinc/26/31/12/493263112.db2.gz OUFLVQTZNNLDEB-QGZVFWFLSA-N 1 3 368.522 0.309 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000659709418 493266075 /nfs/dbraw/zinc/26/60/75/493266075.db2.gz ILMMBXIUKQVLSE-GOSISDBHSA-N 1 3 358.486 0.630 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659709648 493266892 /nfs/dbraw/zinc/26/68/92/493266892.db2.gz GYHPTHYXZLAANP-UHFFFAOYSA-N 1 3 361.490 0.526 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCCC1 ZINC000659709999 493266999 /nfs/dbraw/zinc/26/69/99/493266999.db2.gz NWIXKCIOHIDDID-HNNXBMFYSA-N 1 3 352.479 0.134 20 0 FCADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659711872 493267651 /nfs/dbraw/zinc/26/76/51/493267651.db2.gz CZDCHRNPFCQFLH-MRXNPFEDSA-N 1 3 373.501 0.526 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659714457 493268458 /nfs/dbraw/zinc/26/84/58/493268458.db2.gz VSYMIHBHAYEKPR-UHFFFAOYSA-N 1 3 359.474 0.278 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720159 493271079 /nfs/dbraw/zinc/27/10/79/493271079.db2.gz ATBIKCQPYIJKGR-YJBOKZPZSA-N 1 3 373.501 0.667 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659722453 493272507 /nfs/dbraw/zinc/27/25/07/493272507.db2.gz FKILEUMLWPBSMG-GOEBONIOSA-N 1 3 352.479 0.004 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659722455 493272540 /nfs/dbraw/zinc/27/25/40/493272540.db2.gz FKILEUMLWPBSMG-HOCLYGCPSA-N 1 3 352.479 0.004 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659726905 493274715 /nfs/dbraw/zinc/27/47/15/493274715.db2.gz COMKPAWNYREGOK-GOSISDBHSA-N 1 3 373.501 0.620 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659728505 493275329 /nfs/dbraw/zinc/27/53/29/493275329.db2.gz JSVHEIFWGUNURH-QAPCUYQASA-N 1 3 373.501 0.606 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659735873 493278538 /nfs/dbraw/zinc/27/85/38/493278538.db2.gz KIWPKNLHLOMDJF-BZUAXINKSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1-n1cncn1 ZINC000682222382 493280044 /nfs/dbraw/zinc/28/00/44/493280044.db2.gz SJIAKRQQVQDGKM-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000659752829 493286599 /nfs/dbraw/zinc/28/65/99/493286599.db2.gz NYUIRBVTTZMJGN-LBPRGKRZSA-N 1 3 356.417 0.579 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000659753593 493286708 /nfs/dbraw/zinc/28/67/08/493286708.db2.gz QPXILDCLGUGAOF-LBPRGKRZSA-N 1 3 356.417 0.579 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812648 493303338 /nfs/dbraw/zinc/30/33/38/493303338.db2.gz SIYYEHATPXBHSD-HUUCEWRRSA-N 1 3 362.540 0.189 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812648 493303340 /nfs/dbraw/zinc/30/33/40/493303340.db2.gz SIYYEHATPXBHSD-HUUCEWRRSA-N 1 3 362.540 0.189 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000673275054 493309600 /nfs/dbraw/zinc/30/96/00/493309600.db2.gz FIDLLDZFSXTSPY-UHFFFAOYSA-N 1 3 373.501 0.968 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC(=O)N3)CC2)CC1 ZINC000683982394 493384046 /nfs/dbraw/zinc/38/40/46/493384046.db2.gz ZWHZVBAEACAMPL-OAHLLOKOSA-N 1 3 351.495 0.513 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000674329487 493408729 /nfs/dbraw/zinc/40/87/29/493408729.db2.gz CORVLUXGHBYTJL-MRXNPFEDSA-N 1 3 368.522 0.897 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000668789359 493411324 /nfs/dbraw/zinc/41/13/24/493411324.db2.gz UKZQQEPQBFQXGR-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143833 493467986 /nfs/dbraw/zinc/46/79/86/493467986.db2.gz FGHIDPDWJOZGBX-GDBMZVCRSA-N 1 3 368.522 0.448 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294462 493504693 /nfs/dbraw/zinc/50/46/93/493504693.db2.gz WITZTXSGBGEKBA-YJBOKZPZSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299003 493504891 /nfs/dbraw/zinc/50/48/91/493504891.db2.gz ZDKNVTWVZUVYDO-YOEHRIQHSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCN(CC2CC2)C1 ZINC000669491437 493507612 /nfs/dbraw/zinc/50/76/12/493507612.db2.gz ZDKBKDBBOHKIIQ-KBPBESRZSA-N 1 3 363.428 0.606 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000669529896 493508805 /nfs/dbraw/zinc/50/88/05/493508805.db2.gz ICEVRWZIUILBCE-HOTGVXAUSA-N 1 3 353.511 0.890 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000669529898 493508860 /nfs/dbraw/zinc/50/88/60/493508860.db2.gz ICEVRWZIUILBCE-JKSUJKDBSA-N 1 3 353.511 0.890 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662930889 493555943 /nfs/dbraw/zinc/55/59/43/493555943.db2.gz YOQFJUCQYYCQNB-KRWDZBQOSA-N 1 3 368.522 0.261 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662951082 493559797 /nfs/dbraw/zinc/55/97/97/493559797.db2.gz HYERNXVLSGPFEV-RTBURBONSA-N 1 3 372.513 0.830 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000662966014 493562086 /nfs/dbraw/zinc/56/20/86/493562086.db2.gz DZOGDXGSYPOKMY-SFHVURJKSA-N 1 3 358.486 0.712 20 0 FCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662972220 493562459 /nfs/dbraw/zinc/56/24/59/493562459.db2.gz ASZWIUULARTFMJ-KRWDZBQOSA-N 1 3 360.502 0.958 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662984130 493563772 /nfs/dbraw/zinc/56/37/72/493563772.db2.gz OBMVGHLXAIRTKF-IKGGRYGDSA-N 1 3 368.522 0.532 20 0 FCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663020027 493567183 /nfs/dbraw/zinc/56/71/83/493567183.db2.gz VNAPXKLOMRJVSU-JYJNAYRXSA-N 1 3 360.506 0.913 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1O ZINC000663994596 493629534 /nfs/dbraw/zinc/62/95/34/493629534.db2.gz OLMCBCZSHWMMLL-ROUUACIJSA-N 1 3 364.490 0.486 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071934 493629877 /nfs/dbraw/zinc/62/98/77/493629877.db2.gz WGMBEOVHZJVMMI-YJBOKZPZSA-N 1 3 368.547 0.627 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664066072 493634177 /nfs/dbraw/zinc/63/41/77/493634177.db2.gz QYADGDIJTYUILP-DLBZAZTESA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664066072 493634179 /nfs/dbraw/zinc/63/41/79/493634179.db2.gz QYADGDIJTYUILP-DLBZAZTESA-N 1 3 354.495 0.338 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)CCCO1 ZINC000664758928 493681816 /nfs/dbraw/zinc/68/18/16/493681816.db2.gz QQOYPXXMAZIZLU-MRXNPFEDSA-N 1 3 371.526 0.149 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)CCCO1 ZINC000664758928 493681818 /nfs/dbraw/zinc/68/18/18/493681818.db2.gz QQOYPXXMAZIZLU-MRXNPFEDSA-N 1 3 371.526 0.149 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000671880935 493710829 /nfs/dbraw/zinc/71/08/29/493710829.db2.gz YFPKZIKIWZLHMX-SJORKVTESA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000671880935 493710831 /nfs/dbraw/zinc/71/08/31/493710831.db2.gz YFPKZIKIWZLHMX-SJORKVTESA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556078 493723243 /nfs/dbraw/zinc/72/32/43/493723243.db2.gz QJKXWOMSLANYDO-CVEARBPZSA-N 1 3 365.522 0.807 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556078 493723245 /nfs/dbraw/zinc/72/32/45/493723245.db2.gz QJKXWOMSLANYDO-CVEARBPZSA-N 1 3 365.522 0.807 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672007672 493723693 /nfs/dbraw/zinc/72/36/93/493723693.db2.gz LAONWRUIWMCPPV-UAGQMJEPSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304044 493752229 /nfs/dbraw/zinc/75/22/29/493752229.db2.gz FXTGUIHMWUGUQB-IRXDYDNUSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304044 493752232 /nfs/dbraw/zinc/75/22/32/493752232.db2.gz FXTGUIHMWUGUQB-IRXDYDNUSA-N 1 3 350.507 0.681 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310088 493754212 /nfs/dbraw/zinc/75/42/12/493754212.db2.gz GKBJMKITNJELDD-CVEARBPZSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310088 493754215 /nfs/dbraw/zinc/75/42/15/493754215.db2.gz GKBJMKITNJELDD-CVEARBPZSA-N 1 3 350.507 0.824 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410503884 528122817 /nfs/dbraw/zinc/12/28/17/528122817.db2.gz PHRYBKBLMBWMOT-INIZCTEOSA-N 1 3 356.511 0.356 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000411768900 528995201 /nfs/dbraw/zinc/99/52/01/528995201.db2.gz JICXKZWLBQGUBR-OALUTQOASA-N 1 3 353.507 0.885 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031261 529075378 /nfs/dbraw/zinc/07/53/78/529075378.db2.gz SLFXIRNNIXEDIX-QFBILLFUSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031261 529075383 /nfs/dbraw/zinc/07/53/83/529075383.db2.gz SLFXIRNNIXEDIX-QFBILLFUSA-N 1 3 350.507 0.872 20 0 FCADHO CC1(C)NC(=O)N(CCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000420390303 534977913 /nfs/dbraw/zinc/97/79/13/534977913.db2.gz ZHYVZAKOIIHIOJ-LSDHHAIUSA-N 1 3 352.479 0.925 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423504199 535063283 /nfs/dbraw/zinc/06/32/83/535063283.db2.gz KSTZSRAWCVCIMV-DLBZAZTESA-N 1 3 368.522 0.530 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424541167 535068883 /nfs/dbraw/zinc/06/88/83/535068883.db2.gz HFXASBXLATYESB-RCCFBDPRSA-N 1 3 358.486 0.819 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419698583 535072102 /nfs/dbraw/zinc/07/21/02/535072102.db2.gz PVONFDVJTRUNSV-XHSDSOJGSA-N 1 3 368.522 0.842 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419698583 535072107 /nfs/dbraw/zinc/07/21/07/535072107.db2.gz PVONFDVJTRUNSV-XHSDSOJGSA-N 1 3 368.522 0.842 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419698216 535072387 /nfs/dbraw/zinc/07/23/87/535072387.db2.gz PFDUKKFCVNXJBV-VQIMIIECSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419692521 535073199 /nfs/dbraw/zinc/07/31/99/535073199.db2.gz GZRBATIZOLCJSK-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000419158928 535082922 /nfs/dbraw/zinc/08/29/22/535082922.db2.gz WUHRBYVRCSAYBM-BZUAXINKSA-N 1 3 368.522 0.700 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000419158928 535082928 /nfs/dbraw/zinc/08/29/28/535082928.db2.gz WUHRBYVRCSAYBM-BZUAXINKSA-N 1 3 368.522 0.700 20 0 FCADHO CCCN(C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000419375762 535189939 /nfs/dbraw/zinc/18/99/39/535189939.db2.gz QVNLFRYJVWGSBR-GOSISDBHSA-N 1 3 372.513 0.802 20 0 FCADHO CCCN(C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000419375763 535190303 /nfs/dbraw/zinc/19/03/03/535190303.db2.gz QVNLFRYJVWGSBR-SFHVURJKSA-N 1 3 372.513 0.802 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000415338703 535205002 /nfs/dbraw/zinc/20/50/02/535205002.db2.gz ZQQNRHKHAWZCMX-MRXNPFEDSA-N 1 3 359.474 0.634 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423474917 535524006 /nfs/dbraw/zinc/52/40/06/535524006.db2.gz PHBNDFYHIXNJOZ-ZDUSSCGKSA-N 1 3 366.428 0.916 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397204 535651837 /nfs/dbraw/zinc/65/18/37/535651837.db2.gz UKBJGVGVCVTLQQ-QZTJIDSGSA-N 1 3 360.502 0.924 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCNCC1)Cc1ccccc1 ZINC000419371968 535669367 /nfs/dbraw/zinc/66/93/67/535669367.db2.gz LUXNYLLUCCQTHY-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1CN)CC(C)C ZINC000419128218 535669561 /nfs/dbraw/zinc/66/95/61/535669561.db2.gz VOLOYEVIKIAXGO-YESZJQIVSA-N 1 3 370.538 0.824 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423203714 535862056 /nfs/dbraw/zinc/86/20/56/535862056.db2.gz NAMRMSJUJLBWTI-INIZCTEOSA-N 1 3 350.438 0.666 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419855586 535863296 /nfs/dbraw/zinc/86/32/96/535863296.db2.gz DCVXBDVCVMLYIP-MRXNPFEDSA-N 1 3 350.438 0.569 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423366090 535865768 /nfs/dbraw/zinc/86/57/68/535865768.db2.gz LFYRZQAOHDYJSP-OAHLLOKOSA-N 1 3 350.463 0.757 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423368785 535866226 /nfs/dbraw/zinc/86/62/26/535866226.db2.gz NNZDOQLCYWSEPJ-UAGQMJEPSA-N 1 3 362.474 0.756 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453739754 535894278 /nfs/dbraw/zinc/89/42/78/535894278.db2.gz GKMSKMGHRAAVPK-KRWDZBQOSA-N 1 3 362.474 0.868 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580021 536140971 /nfs/dbraw/zinc/14/09/71/536140971.db2.gz HWNQVGFWIRQLJR-YOEHRIQHSA-N 1 3 356.536 0.564 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586176 536141043 /nfs/dbraw/zinc/14/10/43/536141043.db2.gz NXELNYQTAWUWAP-GUYCJALGSA-N 1 3 356.536 0.434 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC2CCN(c3ccncc3)CC2)C1 ZINC000423442296 536354842 /nfs/dbraw/zinc/35/48/42/536354842.db2.gz BNRXWFYNZKTVOF-QGZVFWFLSA-N 1 3 373.501 0.967 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000419766198 536481149 /nfs/dbraw/zinc/48/11/49/536481149.db2.gz RGRZJBPBCCVLCV-QYZOEREBSA-N 1 3 370.497 0.834 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419761529 536481173 /nfs/dbraw/zinc/48/11/73/536481173.db2.gz KJKAWXRSXVXVMU-ROUUACIJSA-N 1 3 358.486 0.963 20 0 FCADHO COCCCN1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424164230 536546811 /nfs/dbraw/zinc/54/68/11/536546811.db2.gz YTNDASICWKHMIX-HNNXBMFYSA-N 1 3 350.467 0.433 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000419745402 536747259 /nfs/dbraw/zinc/74/72/59/536747259.db2.gz ACJASLYWYKBLPM-KBPBESRZSA-N 1 3 354.495 0.188 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419749534 536747491 /nfs/dbraw/zinc/74/74/91/536747491.db2.gz HHIGZWTYCKFAMF-HOCLYGCPSA-N 1 3 368.522 0.720 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419673292 536780352 /nfs/dbraw/zinc/78/03/52/536780352.db2.gz HCWMZGWOPPXOAU-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO COC(=O)[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999580 546682199 /nfs/dbraw/zinc/68/21/99/546682199.db2.gz BFOTYTRVOYQTQA-ZNMIVQPWSA-N 1 3 351.447 0.197 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715688 546928427 /nfs/dbraw/zinc/92/84/27/546928427.db2.gz JXMPXUTUCIJIRF-IRXDYDNUSA-N 1 3 356.511 0.633 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715688 546928430 /nfs/dbraw/zinc/92/84/30/546928430.db2.gz JXMPXUTUCIJIRF-IRXDYDNUSA-N 1 3 356.511 0.633 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000550687424 547097901 /nfs/dbraw/zinc/09/79/01/547097901.db2.gz FXELZYDFMDGPKA-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000550835463 547109756 /nfs/dbraw/zinc/10/97/56/547109756.db2.gz MTFHUAXVCUDEKF-KDOFPFPSSA-N 1 3 370.563 0.729 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C ZINC000550840957 547110784 /nfs/dbraw/zinc/11/07/84/547110784.db2.gz XXBKAQOWWKWLKW-RVKKMQEKSA-N 1 3 370.563 0.871 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C ZINC000550840957 547110791 /nfs/dbraw/zinc/11/07/91/547110791.db2.gz XXBKAQOWWKWLKW-RVKKMQEKSA-N 1 3 370.563 0.871 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839288 547111324 /nfs/dbraw/zinc/11/13/24/547111324.db2.gz XFRWVAXCZVULBA-YJBOKZPZSA-N 1 3 368.547 0.627 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000550957729 547117268 /nfs/dbraw/zinc/11/72/68/547117268.db2.gz NJVKSNUCUUMNPC-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000550957729 547117273 /nfs/dbraw/zinc/11/72/73/547117273.db2.gz NJVKSNUCUUMNPC-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000551329218 547142260 /nfs/dbraw/zinc/14/22/60/547142260.db2.gz MYRDLUQUZAVJMM-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000551329218 547142264 /nfs/dbraw/zinc/14/22/64/547142264.db2.gz MYRDLUQUZAVJMM-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000949947157 674416742 /nfs/dbraw/zinc/41/67/42/674416742.db2.gz GWKYYKORQCQJIQ-KLHDSHLOSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000949947157 674416743 /nfs/dbraw/zinc/41/67/43/674416743.db2.gz GWKYYKORQCQJIQ-KLHDSHLOSA-N 1 3 350.507 0.774 20 0 FCADHO C[NH+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736771022 598520250 /nfs/dbraw/zinc/52/02/50/598520250.db2.gz GVYZGLKTXDBLQD-OAHLLOKOSA-N 1 3 367.461 0.956 20 0 FCADHO C[NH+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736771022 598520252 /nfs/dbraw/zinc/52/02/52/598520252.db2.gz GVYZGLKTXDBLQD-OAHLLOKOSA-N 1 3 367.461 0.956 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000954412167 674496717 /nfs/dbraw/zinc/49/67/17/674496717.db2.gz DNEOJWAUMVKBOQ-JKSUJKDBSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000954412167 674496720 /nfs/dbraw/zinc/49/67/20/674496720.db2.gz DNEOJWAUMVKBOQ-JKSUJKDBSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480525 606860315 /nfs/dbraw/zinc/86/03/15/606860315.db2.gz LMLSGKKUSQXCML-RDTXWAMCSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480525 606860316 /nfs/dbraw/zinc/86/03/16/606860316.db2.gz LMLSGKKUSQXCML-RDTXWAMCSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480525 606860317 /nfs/dbraw/zinc/86/03/17/606860317.db2.gz LMLSGKKUSQXCML-RDTXWAMCSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480525 606860318 /nfs/dbraw/zinc/86/03/18/606860318.db2.gz LMLSGKKUSQXCML-RDTXWAMCSA-N 1 3 374.489 0.925 20 0 FCADHO COCCC1(NC(=O)NCCCCN2CCN(C)CC2)CC[NH2+]CC1 ZINC000891579907 663416898 /nfs/dbraw/zinc/41/68/98/663416898.db2.gz OHTDRGBPGUEUPR-UHFFFAOYSA-N 1 3 355.527 0.472 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000892648552 664059279 /nfs/dbraw/zinc/05/92/79/664059279.db2.gz FGIOPKNXHMUATN-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000892648552 664059283 /nfs/dbraw/zinc/05/92/83/664059283.db2.gz FGIOPKNXHMUATN-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC000988333627 665285366 /nfs/dbraw/zinc/28/53/66/665285366.db2.gz TVZMUBLKDQUZEQ-LTIDMASMSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC000988333627 665285367 /nfs/dbraw/zinc/28/53/67/665285367.db2.gz TVZMUBLKDQUZEQ-LTIDMASMSA-N 1 3 350.507 0.918 20 0 FCADHO CNC[C@@H](O)C[NH2+]C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353753 666018143 /nfs/dbraw/zinc/01/81/43/666018143.db2.gz JKZHKZNTLFLUMJ-SJLPKXTDSA-N 1 3 351.447 0.320 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000911529248 666362166 /nfs/dbraw/zinc/36/21/66/666362166.db2.gz BGBONDXHOYUUPC-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000912587908 666459318 /nfs/dbraw/zinc/45/93/18/666459318.db2.gz HFXUZVBPTHXHHO-UHFFFAOYSA-N 1 3 354.539 0.613 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884932 666530727 /nfs/dbraw/zinc/53/07/27/666530727.db2.gz VNHAQRJJUMNYQJ-KBRIMQKVSA-N 1 3 350.507 0.632 20 0 FCADHO CN1CCC(NC(=S)NNC2=[NH+]CC3=CNN(C(C)(C)C)C3=N2)CC1 ZINC000731947807 666849792 /nfs/dbraw/zinc/84/97/92/666849792.db2.gz MBDLWRMUDRVCRS-UHFFFAOYSA-N 1 3 364.523 0.320 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827256 666891561 /nfs/dbraw/zinc/89/15/61/666891561.db2.gz TZBVBOZFBXXMIM-ARFHVFGLSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827256 666891564 /nfs/dbraw/zinc/89/15/64/666891564.db2.gz TZBVBOZFBXXMIM-ARFHVFGLSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)N(C)C ZINC000994217586 666979348 /nfs/dbraw/zinc/97/93/48/666979348.db2.gz OWYHBHJHVZLWPT-OIISXLGYSA-N 1 3 352.523 0.879 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444022 667089226 /nfs/dbraw/zinc/08/92/26/667089226.db2.gz AYMFCLGLOLATQL-JKSUJKDBSA-N 1 3 350.463 0.646 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000925444022 667089232 /nfs/dbraw/zinc/08/92/32/667089232.db2.gz AYMFCLGLOLATQL-JKSUJKDBSA-N 1 3 350.463 0.646 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001002239908 667525876 /nfs/dbraw/zinc/52/58/76/667525876.db2.gz TWDRMEFHGIHNNV-NVXWUHKLSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCC(C)CC3)C2)CC[N@H+]1C ZINC001002239908 667525879 /nfs/dbraw/zinc/52/58/79/667525879.db2.gz TWDRMEFHGIHNNV-NVXWUHKLSA-N 1 3 350.507 0.633 20 0 FCADHO 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CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892648676 1182003666 /nfs/dbraw/zinc/00/36/66/1182003666.db2.gz LMPRFQAOSONYID-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000892650814 1182004341 /nfs/dbraw/zinc/00/43/41/1182004341.db2.gz QZBWYAUQXIGXDX-BBWFWOEESA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000892650814 1182004346 /nfs/dbraw/zinc/00/43/46/1182004346.db2.gz QZBWYAUQXIGXDX-BBWFWOEESA-N 1 3 365.522 0.807 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641196 1182326013 /nfs/dbraw/zinc/32/60/13/1182326013.db2.gz FEYRLOSNSASCFI-IIAWOOMASA-N 1 3 369.510 0.102 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000973620064 1182412730 /nfs/dbraw/zinc/41/27/30/1182412730.db2.gz YECJBDSKDWGUQQ-IBWRZXHSSA-N 1 3 359.474 0.931 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000973620064 1182412736 /nfs/dbraw/zinc/41/27/36/1182412736.db2.gz YECJBDSKDWGUQQ-IBWRZXHSSA-N 1 3 359.474 0.931 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063294 1182877622 /nfs/dbraw/zinc/87/76/22/1182877622.db2.gz DUZXIVSYJSKEFD-NYLIBXOJSA-N 1 3 368.481 0.267 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063294 1182877623 /nfs/dbraw/zinc/87/76/23/1182877623.db2.gz DUZXIVSYJSKEFD-NYLIBXOJSA-N 1 3 368.481 0.267 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503667 1185963302 /nfs/dbraw/zinc/96/33/02/1185963302.db2.gz AOLMNJKSSNJUSI-OBRKIGFESA-N 1 3 362.518 0.772 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503667 1185963310 /nfs/dbraw/zinc/96/33/10/1185963310.db2.gz AOLMNJKSSNJUSI-OBRKIGFESA-N 1 3 362.518 0.772 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cnn(-c3ccccc3)c2)CC[N@@H+]1C ZINC001268309386 1186704620 /nfs/dbraw/zinc/70/46/20/1186704620.db2.gz WVQQZKPLSBWWEY-ATZDWAIDSA-N 1 3 371.485 0.779 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC001268309386 1186704621 /nfs/dbraw/zinc/70/46/21/1186704621.db2.gz WVQQZKPLSBWWEY-ATZDWAIDSA-N 1 3 371.485 0.779 20 0 FCADHO CN(CC(=O)N1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1)C(N)=[NH2+] ZINC001269992341 1187961403 /nfs/dbraw/zinc/96/14/03/1187961403.db2.gz HLUGJFFXGUQTOG-SFHVURJKSA-N 1 3 360.462 0.427 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033757 1188213098 /nfs/dbraw/zinc/21/30/98/1188213098.db2.gz HLACFYDTXWFAIX-HKUYNNGSSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033757 1188213103 /nfs/dbraw/zinc/21/31/03/1188213103.db2.gz HLACFYDTXWFAIX-HKUYNNGSSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000382765334 1188311806 /nfs/dbraw/zinc/31/18/06/1188311806.db2.gz RVHYXPJUQCYWCG-IRXDYDNUSA-N 1 3 367.515 0.729 20 0 FCADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000382765334 1188311808 /nfs/dbraw/zinc/31/18/08/1188311808.db2.gz RVHYXPJUQCYWCG-IRXDYDNUSA-N 1 3 367.515 0.729 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)Cc1ccccc1 ZINC000550412999 1188366694 /nfs/dbraw/zinc/36/66/94/1188366694.db2.gz PVUZWYLHTFTOSL-SFHVURJKSA-N 1 3 360.502 0.828 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000550412999 1188366697 /nfs/dbraw/zinc/36/66/97/1188366697.db2.gz PVUZWYLHTFTOSL-SFHVURJKSA-N 1 3 360.502 0.828 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808886 1189463298 /nfs/dbraw/zinc/46/32/98/1189463298.db2.gz HNHNKKNLPWOIRU-BVPBIZIASA-N 1 3 360.506 0.768 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075808886 1189463305 /nfs/dbraw/zinc/46/33/05/1189463305.db2.gz HNHNKKNLPWOIRU-BVPBIZIASA-N 1 3 360.506 0.768 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCN1C(=O)CCC1=O ZINC001087712371 1189800200 /nfs/dbraw/zinc/80/02/00/1189800200.db2.gz FFGSUQBERJMGOO-JKSUJKDBSA-N 1 3 364.490 0.446 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993392 1190143743 /nfs/dbraw/zinc/14/37/43/1190143743.db2.gz MTLPGMBXSRRLFK-IXDOHACOSA-N 1 3 363.506 0.132 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993392 1190143745 /nfs/dbraw/zinc/14/37/45/1190143745.db2.gz MTLPGMBXSRRLFK-IXDOHACOSA-N 1 3 363.506 0.132 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994883 1190148236 /nfs/dbraw/zinc/14/82/36/1190148236.db2.gz IOPDOBSGZDTVHQ-RYRKJORJSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994883 1190148239 /nfs/dbraw/zinc/14/82/39/1190148239.db2.gz IOPDOBSGZDTVHQ-RYRKJORJSA-N 1 3 362.518 0.872 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121781 1190617901 /nfs/dbraw/zinc/61/79/01/1190617901.db2.gz XYKVKLFLCJYVLP-IJEWVQPXSA-N 1 3 355.446 0.512 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121781 1190617909 /nfs/dbraw/zinc/61/79/09/1190617909.db2.gz XYKVKLFLCJYVLP-IJEWVQPXSA-N 1 3 355.446 0.512 20 0 FCADHO CN(C)CCN1CC2(CN(C(=O)CC34CCC[NH+]3CCC4)C2)OCC1=O ZINC001271939652 1190775810 /nfs/dbraw/zinc/77/58/10/1190775810.db2.gz IHLHCFXVZJGIJO-UHFFFAOYSA-N 1 3 364.490 0.006 20 0 FCADHO CN(C)CCN1C(=O)COCC12CN(C(=O)CC13CCC[NH+]1CCC3)C2 ZINC001271942217 1190777881 /nfs/dbraw/zinc/77/78/81/1190777881.db2.gz YIRCEVQPRWLNTM-UHFFFAOYSA-N 1 3 364.490 0.006 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(CCO)CCn3cccn3)C2)CC[N@@H+]1C ZINC001691529307 1190811386 /nfs/dbraw/zinc/81/13/86/1190811386.db2.gz YXIIEBUTVDYEKO-FGTMMUONSA-N 1 3 363.506 0.509 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(CCO)CCn3cccn3)C2)CC[N@H+]1C ZINC001691529307 1190811387 /nfs/dbraw/zinc/81/13/87/1190811387.db2.gz YXIIEBUTVDYEKO-FGTMMUONSA-N 1 3 363.506 0.509 20 0 FCADHO C[NH+]1CCC(N2CCOC[C@@]3(CC(=O)N(CCn4ccnc4)C3)C2)CC1 ZINC001276757044 1224114455 /nfs/dbraw/zinc/11/44/55/1224114455.db2.gz NDGZFUDFKLTOBA-IBGZPJMESA-N 1 3 361.490 0.528 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132854 1190903059 /nfs/dbraw/zinc/90/30/59/1190903059.db2.gz IKJVAIRZQJTDFO-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132854 1190903062 /nfs/dbraw/zinc/90/30/62/1190903062.db2.gz IKJVAIRZQJTDFO-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1noc2cccnc21 ZINC001218502748 1224164059 /nfs/dbraw/zinc/16/40/59/1224164059.db2.gz ICKNVOQLJYAOFZ-RYUDHWBXSA-N 1 3 360.418 0.609 20 0 FCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC001691594762 1193765017 /nfs/dbraw/zinc/76/50/17/1193765017.db2.gz AQEXABGKIXDBJO-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550780621 1193787181 /nfs/dbraw/zinc/78/71/81/1193787181.db2.gz IMSXQCPJLSLUFM-SJORKVTESA-N 1 3 367.538 0.119 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000551073776 1193831673 /nfs/dbraw/zinc/83/16/73/1193831673.db2.gz IWIIFBWWOYOJIP-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667310 1193930429 /nfs/dbraw/zinc/93/04/29/1193930429.db2.gz QIWWYKBDJBOOEE-LTDCPUDJSA-N 1 3 368.522 0.040 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667310 1193930431 /nfs/dbraw/zinc/93/04/31/1193930431.db2.gz QIWWYKBDJBOOEE-LTDCPUDJSA-N 1 3 368.522 0.040 20 0 FCADHO CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccn2)c1 ZINC001218622481 1224183157 /nfs/dbraw/zinc/18/31/57/1224183157.db2.gz XPIVGAWOTPRJSE-AWEZNQCLSA-N 1 3 370.413 0.192 20 0 FCADHO O=C(Nc1nonc1-c1nc2ccccc2[nH]1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218627130 1224186050 /nfs/dbraw/zinc/18/60/50/1224186050.db2.gz SOPMUILLJVXFTR-BMLIUANNSA-N 1 3 353.386 0.751 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000842226202 1194107994 /nfs/dbraw/zinc/10/79/94/1194107994.db2.gz GWJSHWXFAUDDLD-SFHVURJKSA-N 1 3 360.502 0.735 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842230403 1194109129 /nfs/dbraw/zinc/10/91/29/1194109129.db2.gz YZJFEKTWFRBERN-UHFFFAOYSA-N 1 3 372.469 0.987 20 0 FCADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710858 1224201650 /nfs/dbraw/zinc/20/16/50/1224201650.db2.gz MYEALQPNJSFMDC-NWDGAFQWSA-N 1 3 357.418 0.580 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724554 1224206078 /nfs/dbraw/zinc/20/60/78/1224206078.db2.gz JFHXRMIMIPKLST-WFASDCNBSA-N 1 3 360.462 0.286 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076161630 1194336231 /nfs/dbraw/zinc/33/62/31/1194336231.db2.gz RFHATMQXCKLXAO-OKZBNKHCSA-N 1 3 360.506 0.933 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076161630 1194336233 /nfs/dbraw/zinc/33/62/33/1194336233.db2.gz RFHATMQXCKLXAO-OKZBNKHCSA-N 1 3 360.506 0.933 20 0 FCADHO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218850431 1224240122 /nfs/dbraw/zinc/24/01/22/1224240122.db2.gz LYPAAXZXJDCVDJ-DNVCBOLYSA-N 1 3 358.442 0.297 20 0 FCADHO COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218927699 1224261919 /nfs/dbraw/zinc/26/19/19/1224261919.db2.gz KVPVZCVEMVGGJF-ZDUSSCGKSA-N 1 3 363.393 0.764 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001077219728 1195328489 /nfs/dbraw/zinc/32/84/89/1195328489.db2.gz VQHBGJRGJRUZOQ-KZNAEPCWSA-N 1 3 365.518 0.839 20 0 FCADHO CCOC1CC(CN2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)C1 ZINC001218971381 1224276666 /nfs/dbraw/zinc/27/66/66/1224276666.db2.gz YDUOARJMSPIAPH-ZGUYJTEBSA-N 1 3 369.506 0.291 20 0 FCADHO CC1(C)CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001077418543 1195517762 /nfs/dbraw/zinc/51/77/62/1195517762.db2.gz UCDXMVXSNADDPY-LUJDSPJVSA-N 1 3 363.502 0.447 20 0 FCADHO CC1(C)CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001077418543 1195517766 /nfs/dbraw/zinc/51/77/66/1195517766.db2.gz UCDXMVXSNADDPY-LUJDSPJVSA-N 1 3 363.502 0.447 20 0 FCADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC000905147311 1195577917 /nfs/dbraw/zinc/57/79/17/1195577917.db2.gz UWTNNPOZJCSVQM-UXHICEINSA-N 1 3 364.486 0.635 20 0 FCADHO O[C@@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC000905147311 1195577922 /nfs/dbraw/zinc/57/79/22/1195577922.db2.gz UWTNNPOZJCSVQM-UXHICEINSA-N 1 3 364.486 0.635 20 0 FCADHO CN1CCN(C[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000906540182 1195637420 /nfs/dbraw/zinc/63/74/20/1195637420.db2.gz LVIFZHZICDHQFE-HXUWFJFHSA-N 1 3 373.545 0.585 20 0 FCADHO CN1CCN(C[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000906540182 1195637425 /nfs/dbraw/zinc/63/74/25/1195637425.db2.gz LVIFZHZICDHQFE-HXUWFJFHSA-N 1 3 373.545 0.585 20 0 FCADHO O=C(N[C@@H]1CN(CCCN2CCCC2=O)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083606586 1195682269 /nfs/dbraw/zinc/68/22/69/1195682269.db2.gz GBTYYDJJZRXHRO-SJORKVTESA-N 1 3 371.441 0.122 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219028036 1224300618 /nfs/dbraw/zinc/30/06/18/1224300618.db2.gz MYHRLAYVFIMXDR-HOTGVXAUSA-N 1 3 358.442 0.850 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911101186 1195889539 /nfs/dbraw/zinc/88/95/39/1195889539.db2.gz ICGXTEIIJIZRLO-JKIFEVAISA-N 1 3 359.474 0.529 20 0 FCADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001077444111 1196405530 /nfs/dbraw/zinc/40/55/30/1196405530.db2.gz KUQNFDIRYCIXFL-KFKAGJAMSA-N 1 3 361.486 0.602 20 0 FCADHO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000592487156 1196564450 /nfs/dbraw/zinc/56/44/50/1196564450.db2.gz CJVFRODSMNNCAZ-SJORKVTESA-N 1 3 362.474 0.242 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960875 1196601563 /nfs/dbraw/zinc/60/15/63/1196601563.db2.gz FZDXVDACZGHGHO-CVEARBPZSA-N 1 3 362.522 0.723 20 0 FCADHO N[C@@H]1C[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736325 1196735184 /nfs/dbraw/zinc/73/51/84/1196735184.db2.gz AIIQCGGZJUTVLB-IEBWSBKVSA-N 1 3 358.486 0.905 20 0 FCADHO COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001219261028 1224406659 /nfs/dbraw/zinc/40/66/59/1224406659.db2.gz ZLIOQLRKECZVPH-ZDUSSCGKSA-N 1 3 361.446 0.856 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106249697 1197784505 /nfs/dbraw/zinc/78/45/05/1197784505.db2.gz NZDIVJZOGXKPRJ-SUYBPPKGSA-N 1 3 363.462 0.637 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106256073 1197794955 /nfs/dbraw/zinc/79/49/55/1197794955.db2.gz WPVWHSAVCOKXQX-HZPDHXFCSA-N 1 3 367.538 0.862 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1)N(C)C ZINC000993157979 1197902000 /nfs/dbraw/zinc/90/20/00/1197902000.db2.gz VHFHVYPSSPCUTR-MDZRGWNJSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1)N(C)C ZINC000993162150 1197912339 /nfs/dbraw/zinc/91/23/39/1197912339.db2.gz KAWYYSCPCDQAHX-UWVAXJGDSA-N 1 3 364.534 0.975 20 0 FCADHO O=C(Nc1ccc(O[C@H]2CCNCC2(F)F)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219453696 1224475914 /nfs/dbraw/zinc/47/59/14/1224475914.db2.gz NNGRWCULOQVGMW-GJZGRUSLSA-N 1 3 366.412 0.810 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)C1CCOCC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504270 1224491607 /nfs/dbraw/zinc/49/16/07/1224491607.db2.gz RWQRYKWKCUTUNB-LPHOPBHVSA-N 1 3 374.441 0.571 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H](C[N@H+](C)CC3CC3)C1)C2=O ZINC000746384285 1199019063 /nfs/dbraw/zinc/01/90/63/1199019063.db2.gz YFQYZRKPTBFJEC-MRXNPFEDSA-N 1 3 363.506 0.624 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H](C[N@@H+](C)CC3CC3)C1)C2=O ZINC000746384285 1199019070 /nfs/dbraw/zinc/01/90/70/1199019070.db2.gz YFQYZRKPTBFJEC-MRXNPFEDSA-N 1 3 363.506 0.624 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](N)C1 ZINC001169170481 1199054322 /nfs/dbraw/zinc/05/43/22/1199054322.db2.gz VZHNJGGRVPWGHZ-KGLIPLIRSA-N 1 3 362.478 0.416 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H](N)C1 ZINC001169170481 1199054328 /nfs/dbraw/zinc/05/43/28/1199054328.db2.gz VZHNJGGRVPWGHZ-KGLIPLIRSA-N 1 3 362.478 0.416 20 0 FCADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)C1 ZINC001219642369 1224543688 /nfs/dbraw/zinc/54/36/88/1224543688.db2.gz SGSOEKIWHPXRRB-OAGGEKHMSA-N 1 3 361.490 0.671 20 0 FCADHO CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980138 1200664596 /nfs/dbraw/zinc/66/45/96/1200664596.db2.gz JTVGBYXMHVMEIM-OWSLCNJRSA-N 1 3 371.522 0.320 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001110002557 1200695459 /nfs/dbraw/zinc/69/54/59/1200695459.db2.gz LOJYNOBZQJMLLL-OWSLCNJRSA-N 1 3 363.506 0.697 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000785521363 1200766969 /nfs/dbraw/zinc/76/69/69/1200766969.db2.gz VILPRKGWVLTOOE-IAGOWNOFSA-N 1 3 366.506 0.204 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112548483 1200774631 /nfs/dbraw/zinc/77/46/31/1200774631.db2.gz CCCNPZGKAVAPJS-KHYOSLBOSA-N 1 3 364.490 0.352 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCCCC1 ZINC000793695447 1201257616 /nfs/dbraw/zinc/25/76/16/1201257616.db2.gz DDCXAQQDXOHTSK-INIZCTEOSA-N 1 3 368.522 0.282 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1CCCCC1 ZINC000793695447 1201257619 /nfs/dbraw/zinc/25/76/19/1201257619.db2.gz DDCXAQQDXOHTSK-INIZCTEOSA-N 1 3 368.522 0.282 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CCCCC1 ZINC000793703316 1201259781 /nfs/dbraw/zinc/25/97/81/1201259781.db2.gz UMTGXFCPONKLFV-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CCCCC1 ZINC000793703316 1201259791 /nfs/dbraw/zinc/25/97/91/1201259791.db2.gz UMTGXFCPONKLFV-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)N1CCCCC1 ZINC001129845725 1201404395 /nfs/dbraw/zinc/40/43/95/1201404395.db2.gz SSIQBPYCAKUQFU-CVEARBPZSA-N 1 3 364.494 0.267 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838127 1201410721 /nfs/dbraw/zinc/41/07/21/1201410721.db2.gz ROEDZBIAVFUFHR-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894697 1201428603 /nfs/dbraw/zinc/42/86/03/1201428603.db2.gz PWWGOCOVKZVQIP-CVEARBPZSA-N 1 3 364.494 0.531 20 0 FCADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895918 1201430352 /nfs/dbraw/zinc/43/03/52/1201430352.db2.gz MCNAMYFCQMGDIA-ZACQAIPSSA-N 1 3 364.494 0.244 20 0 FCADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895918 1201430359 /nfs/dbraw/zinc/43/03/59/1201430359.db2.gz MCNAMYFCQMGDIA-ZACQAIPSSA-N 1 3 364.494 0.244 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130047827 1201486593 /nfs/dbraw/zinc/48/65/93/1201486593.db2.gz VQJNZNIAHVFFGW-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130137234 1201514153 /nfs/dbraw/zinc/51/41/53/1201514153.db2.gz OVQWYQKRZLFXTP-BBWFWOEESA-N 1 3 364.494 0.386 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130137235 1201514361 /nfs/dbraw/zinc/51/43/61/1201514361.db2.gz OVQWYQKRZLFXTP-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CN(CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919929 1224681291 /nfs/dbraw/zinc/68/12/91/1224681291.db2.gz UETFFMNHQPPUAB-KSZLIROESA-N 1 3 362.474 0.638 20 0 FCADHO CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[n-]1)[NH+](C)C ZINC001130221106 1201551107 /nfs/dbraw/zinc/55/11/07/1201551107.db2.gz VDCOIUNPHROZFX-ZNMIVQPWSA-N 1 3 366.510 0.879 20 0 FCADHO CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[n-]1)[NH+](C)C ZINC001130238182 1201561117 /nfs/dbraw/zinc/56/11/17/1201561117.db2.gz XPIYMQRCIMXZLY-IHRRRGAJSA-N 1 3 370.473 0.583 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931515 1224687951 /nfs/dbraw/zinc/68/79/51/1224687951.db2.gz TUNCBDGHUJTQGH-KRWDZBQOSA-N 1 3 361.490 0.799 20 0 FCADHO COC(=O)CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220048282 1224737360 /nfs/dbraw/zinc/73/73/60/1224737360.db2.gz MQCPTXYNBLTKQV-GJZGRUSLSA-N 1 3 370.494 0.283 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672559 1202752211 /nfs/dbraw/zinc/75/22/11/1202752211.db2.gz SWPOVZNNSDXZJY-DOTOQJQBSA-N 1 3 363.506 0.682 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130685526 1202753671 /nfs/dbraw/zinc/75/36/71/1202753671.db2.gz XMPWKMFNMUFZEE-DOTOQJQBSA-N 1 3 360.462 0.697 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555521 1202913404 /nfs/dbraw/zinc/91/34/04/1202913404.db2.gz JNVUPFRJJJYABF-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CN(C[C@@H](O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809948437 1202938663 /nfs/dbraw/zinc/93/86/63/1202938663.db2.gz XAGUNAKFHJHLAS-KRWDZBQOSA-N 1 3 370.538 0.926 20 0 FCADHO CN(C[C@@H](O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809948437 1202938665 /nfs/dbraw/zinc/93/86/65/1202938665.db2.gz XAGUNAKFHJHLAS-KRWDZBQOSA-N 1 3 370.538 0.926 20 0 FCADHO C[C@H](NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126431 1203015804 /nfs/dbraw/zinc/01/58/04/1203015804.db2.gz QEDGCHLKCGRVHM-QGTPRVQTSA-N 1 3 358.486 0.705 20 0 FCADHO C[C@H](NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126431 1203015806 /nfs/dbraw/zinc/01/58/06/1203015806.db2.gz QEDGCHLKCGRVHM-QGTPRVQTSA-N 1 3 358.486 0.705 20 0 FCADHO CN1CCC[C@H](NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126584 1203015881 /nfs/dbraw/zinc/01/58/81/1203015881.db2.gz YLGZIWAPOQKAIA-SQNIBIBYSA-N 1 3 358.486 0.658 20 0 FCADHO CN1CCC[C@H](NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126584 1203015885 /nfs/dbraw/zinc/01/58/85/1203015885.db2.gz YLGZIWAPOQKAIA-SQNIBIBYSA-N 1 3 358.486 0.658 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000817926577 1203126650 /nfs/dbraw/zinc/12/66/50/1203126650.db2.gz NMIRRMFDFNWINK-UHFFFAOYSA-N 1 3 360.502 0.817 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000817993513 1203132133 /nfs/dbraw/zinc/13/21/33/1203132133.db2.gz KYTRCHIIGHPVMG-KURKYZTESA-N 1 3 356.470 0.540 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844190902 1203338740 /nfs/dbraw/zinc/33/87/40/1203338740.db2.gz FJJSZXQJSNZVKZ-IBGZPJMESA-N 1 3 360.502 0.819 20 0 FCADHO CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358038 1224841983 /nfs/dbraw/zinc/84/19/83/1224841983.db2.gz OKRRSECYPWCEEP-KZNAEPCWSA-N 1 3 374.485 0.465 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083350 1204971459 /nfs/dbraw/zinc/97/14/59/1204971459.db2.gz AOIZNNBOIUDDDD-BFYDXBDKSA-N 1 3 364.494 0.253 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087088288 1204976397 /nfs/dbraw/zinc/97/63/97/1204976397.db2.gz RMVFUXQKNQWPLD-NVXWUHKLSA-N 1 3 360.462 0.647 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087081040 1204993528 /nfs/dbraw/zinc/99/35/28/1204993528.db2.gz SBMRDNFACTYMCO-KBAYOESNSA-N 1 3 365.522 0.959 20 0 FCADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519533 1224901576 /nfs/dbraw/zinc/90/15/76/1224901576.db2.gz RDQJEQSJNJLYDB-KRWDZBQOSA-N 1 3 367.490 0.842 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C2(Cc3ccccn3)CC[NH2+]CC2)CCNC1 ZINC001220521827 1224905372 /nfs/dbraw/zinc/90/53/72/1224905372.db2.gz QCNQSWXFXNVGKC-UHFFFAOYSA-N 1 3 372.469 0.921 20 0 FCADHO N[C@@H](CC[NH3+])C(=O)NC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220533901 1224910851 /nfs/dbraw/zinc/91/08/51/1224910851.db2.gz TTWRSNQWVHWIOH-PMACEKPBSA-N 1 3 370.497 0.842 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)n1C ZINC001093780186 1206115061 /nfs/dbraw/zinc/11/50/61/1206115061.db2.gz WNFZMCUQJLKWHG-KLHDSHLOSA-N 1 3 362.522 0.902 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)n1C ZINC001093780186 1206115063 /nfs/dbraw/zinc/11/50/63/1206115063.db2.gz WNFZMCUQJLKWHG-KLHDSHLOSA-N 1 3 362.522 0.902 20 0 FCADHO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@H]2C)n1 ZINC001093993229 1206165241 /nfs/dbraw/zinc/16/52/41/1206165241.db2.gz IIJMYCMCAVKGBQ-FVQBIDKESA-N 1 3 365.478 0.671 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1C ZINC001094010453 1206169788 /nfs/dbraw/zinc/16/97/88/1206169788.db2.gz BLOLGBCMBWMVLQ-GDBMZVCRSA-N 1 3 362.522 0.903 20 0 FCADHO CCn1c(C)nnc1CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001094169796 1206198395 /nfs/dbraw/zinc/19/83/95/1206198395.db2.gz VZFSHPXHVBNTKV-GDBMZVCRSA-N 1 3 360.506 0.886 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nnc(C2CC2)n1C ZINC001094220796 1206203224 /nfs/dbraw/zinc/20/32/24/1206203224.db2.gz WBUBLQJGSAEICJ-FVQBIDKESA-N 1 3 360.506 0.828 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nnc(C2CC2)n1C ZINC001094220796 1206203225 /nfs/dbraw/zinc/20/32/25/1206203225.db2.gz WBUBLQJGSAEICJ-FVQBIDKESA-N 1 3 360.506 0.828 20 0 FCADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220565149 1224935691 /nfs/dbraw/zinc/93/56/91/1224935691.db2.gz KFDYJODGFCZIRJ-HOTGVXAUSA-N 1 3 360.458 0.546 20 0 FCADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220565149 1224935701 /nfs/dbraw/zinc/93/57/01/1224935701.db2.gz KFDYJODGFCZIRJ-HOTGVXAUSA-N 1 3 360.458 0.546 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015365 1206254855 /nfs/dbraw/zinc/25/48/55/1206254855.db2.gz PKKYVXPAFFSMID-SFHVURJKSA-N 1 3 372.513 0.964 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015365 1206254858 /nfs/dbraw/zinc/25/48/58/1206254858.db2.gz PKKYVXPAFFSMID-SFHVURJKSA-N 1 3 372.513 0.964 20 0 FCADHO CCN1CC[C@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1=O ZINC001172039705 1206255190 /nfs/dbraw/zinc/25/51/90/1206255190.db2.gz RLCPAZNNZFLIMB-KRWDZBQOSA-N 1 3 360.502 0.821 20 0 FCADHO CCN1CC[C@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1=O ZINC001172039705 1206255194 /nfs/dbraw/zinc/25/51/94/1206255194.db2.gz RLCPAZNNZFLIMB-KRWDZBQOSA-N 1 3 360.502 0.821 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169134 1206258204 /nfs/dbraw/zinc/25/82/04/1206258204.db2.gz DLSTWLXFEKGDEO-QZTJIDSGSA-N 1 3 372.513 0.964 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172169134 1206258206 /nfs/dbraw/zinc/25/82/06/1206258206.db2.gz DLSTWLXFEKGDEO-QZTJIDSGSA-N 1 3 372.513 0.964 20 0 FCADHO CN1CCC(O)(C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001182035099 1206419122 /nfs/dbraw/zinc/41/91/22/1206419122.db2.gz YNNSVHQERPJVAQ-UHFFFAOYSA-N 1 3 358.442 0.299 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCOC[C@H]3CCCO3)C[C@H]21 ZINC001189820044 1207605180 /nfs/dbraw/zinc/60/51/80/1207605180.db2.gz LQVWFEMQBIBWBS-RCCFBDPRSA-N 1 3 369.506 0.293 20 0 FCADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001190317202 1207673103 /nfs/dbraw/zinc/67/31/03/1207673103.db2.gz FIJFGBSFPOCHES-GBESFXJTSA-N 1 3 361.486 0.902 20 0 FCADHO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001190317202 1207673109 /nfs/dbraw/zinc/67/31/09/1207673109.db2.gz FIJFGBSFPOCHES-GBESFXJTSA-N 1 3 361.486 0.902 20 0 FCADHO O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220687048 1225013557 /nfs/dbraw/zinc/01/35/57/1225013557.db2.gz CWYSQZSMTKCDIG-SJORKVTESA-N 1 3 356.470 0.350 20 0 FCADHO N[C@@H](C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690150 1225018443 /nfs/dbraw/zinc/01/84/43/1225018443.db2.gz RXBJRDIENJLNCT-VQIMIIECSA-N 1 3 358.486 0.868 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001489037899 1208615626 /nfs/dbraw/zinc/61/56/26/1208615626.db2.gz VTZPJPUBONHOOY-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO O=C(N[C@H]1CCN(C(=O)c2ccccc2F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220920621 1225141317 /nfs/dbraw/zinc/14/13/17/1225141317.db2.gz HDFSJQSKVXYSBD-BIENJYKASA-N 1 3 360.433 0.356 20 0 FCADHO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)CN3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985765 1225174896 /nfs/dbraw/zinc/17/48/96/1225174896.db2.gz FFWZAKBNXLRNPM-UHOSZYNNSA-N 1 3 361.486 0.625 20 0 FCADHO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)CN3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985765 1225174901 /nfs/dbraw/zinc/17/49/01/1225174901.db2.gz FFWZAKBNXLRNPM-UHOSZYNNSA-N 1 3 361.486 0.625 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000863754464 1209950403 /nfs/dbraw/zinc/95/04/03/1209950403.db2.gz SMRQRNHZZLBHEA-KRWDZBQOSA-N 1 3 360.502 0.959 20 0 FCADHO COc1cccc(NC(=O)CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714731 1210005104 /nfs/dbraw/zinc/00/51/04/1210005104.db2.gz WCZKROCBYAGUTR-UAGQMJEPSA-N 1 3 374.441 0.891 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000868287444 1210049444 /nfs/dbraw/zinc/04/94/44/1210049444.db2.gz YVYNDACMKGJCJA-GJZGRUSLSA-N 1 3 359.474 0.715 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1)N(C)C ZINC000871461177 1210156005 /nfs/dbraw/zinc/15/60/05/1210156005.db2.gz GVFZFWXYYBDTNP-BRWVUGGUSA-N 1 3 370.538 0.502 20 0 FCADHO CCN1CCN(CCC(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)CC1 ZINC000877237961 1210441016 /nfs/dbraw/zinc/44/10/16/1210441016.db2.gz QVRDEXJDXXGSKH-RBUKOAKNSA-N 1 3 360.502 0.976 20 0 FCADHO C[NH+]1CCC2(CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)CC1 ZINC000879251225 1210475762 /nfs/dbraw/zinc/47/57/62/1210475762.db2.gz QWKVEHYSSZDVQR-UHFFFAOYSA-N 1 3 372.517 0.933 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)cc2)CC1 ZINC000879996636 1210509788 /nfs/dbraw/zinc/50/97/88/1210509788.db2.gz KIQVMGBQLVCIDV-LJQANCHMSA-N 1 3 360.502 0.621 20 0 FCADHO COc1cccc(C2([NH3+])CCN(C(=O)CN3CCCC[C@H](N)C3=O)CC2)c1 ZINC001221092016 1225219665 /nfs/dbraw/zinc/21/96/65/1225219665.db2.gz LEHUQVZIMWWZGH-KRWDZBQOSA-N 1 3 374.485 0.811 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@](O)(C(=O)OC)C3)CC2)CC1 ZINC000882857551 1210640209 /nfs/dbraw/zinc/64/02/09/1210640209.db2.gz LXSSXYSODUGROW-LJQANCHMSA-N 1 3 367.490 0.319 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000883457999 1210669094 /nfs/dbraw/zinc/66/90/94/1210669094.db2.gz UJERAEPGJXGZIG-HOTGVXAUSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000883457999 1210669100 /nfs/dbraw/zinc/66/91/00/1210669100.db2.gz UJERAEPGJXGZIG-HOTGVXAUSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884509402 1210742031 /nfs/dbraw/zinc/74/20/31/1210742031.db2.gz FLIJUDRGHBJLCH-BFYDXBDKSA-N 1 3 373.501 0.776 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000884559683 1210750764 /nfs/dbraw/zinc/75/07/64/1210750764.db2.gz BJFDCLFJLZSKSN-KURKYZTESA-N 1 3 374.485 0.042 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884597461 1210758403 /nfs/dbraw/zinc/75/84/03/1210758403.db2.gz BJUPWUDMGSEASD-MRXNPFEDSA-N 1 3 367.538 0.025 20 0 FCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000884706548 1210784540 /nfs/dbraw/zinc/78/45/40/1210784540.db2.gz GYRUGSVPEUMQPR-GJZGRUSLSA-N 1 3 366.506 0.693 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCNCCC12CCC2 ZINC000884787309 1210795762 /nfs/dbraw/zinc/79/57/62/1210795762.db2.gz NQXLBCTZSFNQLG-MRXNPFEDSA-N 1 3 364.490 0.101 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884851222 1210801459 /nfs/dbraw/zinc/80/14/59/1210801459.db2.gz HAXXKQIYTAOUOL-QGZVFWFLSA-N 1 3 358.486 0.890 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000885162337 1210814176 /nfs/dbraw/zinc/81/41/76/1210814176.db2.gz KZYXRKOWQFMLGA-ZWKOTPCHSA-N 1 3 356.470 0.514 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000889805655 1210954504 /nfs/dbraw/zinc/95/45/04/1210954504.db2.gz QVYVZHLHXOMPLF-QAPCUYQASA-N 1 3 373.501 0.976 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000889805655 1210954510 /nfs/dbraw/zinc/95/45/10/1210954510.db2.gz QVYVZHLHXOMPLF-QAPCUYQASA-N 1 3 373.501 0.976 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000889909618 1210956341 /nfs/dbraw/zinc/95/63/41/1210956341.db2.gz BXAAHKHSTTZHMC-KRWDZBQOSA-N 1 3 359.474 0.587 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000889909618 1210956342 /nfs/dbraw/zinc/95/63/42/1210956342.db2.gz BXAAHKHSTTZHMC-KRWDZBQOSA-N 1 3 359.474 0.587 20 0 FCADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831382 1210987028 /nfs/dbraw/zinc/98/70/28/1210987028.db2.gz XPDOFFXUHTWYSH-COXLTSFISA-N 1 3 363.502 0.998 20 0 FCADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831382 1210987029 /nfs/dbraw/zinc/98/70/29/1210987029.db2.gz XPDOFFXUHTWYSH-COXLTSFISA-N 1 3 363.502 0.998 20 0 FCADHO CCN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)CC1 ZINC001274369174 1211038486 /nfs/dbraw/zinc/03/84/86/1211038486.db2.gz CYNAHWSONURQPR-HDICACEKSA-N 1 3 360.506 0.196 20 0 FCADHO CCN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2ccnc2)CC1 ZINC001274369174 1211038488 /nfs/dbraw/zinc/03/84/88/1211038488.db2.gz CYNAHWSONURQPR-HDICACEKSA-N 1 3 360.506 0.196 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](CC4(C)COC4)C3)C2=O)CC1 ZINC001275789678 1211283832 /nfs/dbraw/zinc/28/38/32/1211283832.db2.gz JGAAGCDUKGUDQF-FQEVSTJZSA-N 1 3 364.534 0.585 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](CC4(C)COC4)C3)C2=O)CC1 ZINC001275789678 1211283833 /nfs/dbraw/zinc/28/38/33/1211283833.db2.gz JGAAGCDUKGUDQF-FQEVSTJZSA-N 1 3 364.534 0.585 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803946 1211286597 /nfs/dbraw/zinc/28/65/97/1211286597.db2.gz NXCIHFHXURRZBT-ICSRJNTNSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803946 1211286600 /nfs/dbraw/zinc/28/66/00/1211286600.db2.gz NXCIHFHXURRZBT-ICSRJNTNSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894962 1211307728 /nfs/dbraw/zinc/30/77/28/1211307728.db2.gz COFGCGBREAJYTA-HXUWFJFHSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@@H+](CCC4CC4)C3)OCC2=O)CC1 ZINC001275894962 1211307732 /nfs/dbraw/zinc/30/77/32/1211307732.db2.gz COFGCGBREAJYTA-HXUWFJFHSA-N 1 3 364.534 0.727 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3c[nH]c4ncccc34)C2)OCC1=O ZINC001275932341 1211312066 /nfs/dbraw/zinc/31/20/66/1211312066.db2.gz CZZPDIQZLSHIBZ-IBGZPJMESA-N 1 3 357.458 0.928 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925351840 1211497385 /nfs/dbraw/zinc/49/73/85/1211497385.db2.gz YYSZWWXLDKGZKT-IXDOHACOSA-N 1 3 364.490 0.771 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccnn1CCN(C)C)C2 ZINC000926142998 1211517825 /nfs/dbraw/zinc/51/78/25/1211517825.db2.gz MIKBSILUEBSNEG-NWGLXNPWSA-N 1 3 363.506 0.654 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccnn1CCN(C)C)C2 ZINC000926142998 1211517834 /nfs/dbraw/zinc/51/78/34/1211517834.db2.gz MIKBSILUEBSNEG-NWGLXNPWSA-N 1 3 363.506 0.654 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926349328 1211537431 /nfs/dbraw/zinc/53/74/31/1211537431.db2.gz VSHHDDHHAICEAR-ROUUACIJSA-N 1 3 358.486 0.917 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927632160 1211576449 /nfs/dbraw/zinc/57/64/49/1211576449.db2.gz XEBJXVKKBZJCSU-HOCLYGCPSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927632160 1211576455 /nfs/dbraw/zinc/57/64/55/1211576455.db2.gz XEBJXVKKBZJCSU-HOCLYGCPSA-N 1 3 367.494 0.001 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)c2)CC1 ZINC000927888913 1211590605 /nfs/dbraw/zinc/59/06/05/1211590605.db2.gz ZGTXOKMAXRXLIT-INIZCTEOSA-N 1 3 373.501 0.964 20 0 FCADHO C[NH+](C)CC1(O)CCN(CCCON2C(=O)c3ccccc3C2=O)CC1 ZINC000931481554 1211757869 /nfs/dbraw/zinc/75/78/69/1211757869.db2.gz SPDNPESBXAZMAM-UHFFFAOYSA-N 1 3 361.442 0.993 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000931567342 1211761246 /nfs/dbraw/zinc/76/12/46/1211761246.db2.gz QKVZKNDKVDLGJC-INIZCTEOSA-N 1 3 363.510 0.688 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000931567342 1211761250 /nfs/dbraw/zinc/76/12/50/1211761250.db2.gz QKVZKNDKVDLGJC-INIZCTEOSA-N 1 3 363.510 0.688 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2CCN2CCNC2=O)CC[N@@H+]1C ZINC000968864449 1212158072 /nfs/dbraw/zinc/15/80/72/1212158072.db2.gz WZYIADRJESLDIK-BRWVUGGUSA-N 1 3 365.522 0.713 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2CCN2CCNC2=O)CC[N@H+]1C ZINC000968864449 1212158077 /nfs/dbraw/zinc/15/80/77/1212158077.db2.gz WZYIADRJESLDIK-BRWVUGGUSA-N 1 3 365.522 0.713 20 0 FCADHO C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559721 1225367351 /nfs/dbraw/zinc/36/73/51/1225367351.db2.gz NAYJDJZNDMNOPZ-LZLYRXPVSA-N 1 3 363.506 0.752 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662494 1212480894 /nfs/dbraw/zinc/48/08/94/1212480894.db2.gz CPEGFIZZSCNTDR-CGTJXYLNSA-N 1 3 366.506 0.650 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001007946875 1212604817 /nfs/dbraw/zinc/60/48/17/1212604817.db2.gz RJSPBXVOGPZVGJ-VCBZYWHSSA-N 1 3 359.474 0.710 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001007946875 1212604820 /nfs/dbraw/zinc/60/48/20/1212604820.db2.gz RJSPBXVOGPZVGJ-VCBZYWHSSA-N 1 3 359.474 0.710 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701517 1225448067 /nfs/dbraw/zinc/44/80/67/1225448067.db2.gz SGMVTUWIECPIBE-SYJBPTKTSA-N 1 3 363.502 0.809 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701517 1225448069 /nfs/dbraw/zinc/44/80/69/1225448069.db2.gz SGMVTUWIECPIBE-SYJBPTKTSA-N 1 3 363.502 0.809 20 0 FCADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825634 1225505729 /nfs/dbraw/zinc/50/57/29/1225505729.db2.gz WIXQYOUETYDHCO-UYAOXDASSA-N 1 3 366.550 0.565 20 0 FCADHO CC(C)[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825634 1225505732 /nfs/dbraw/zinc/50/57/32/1225505732.db2.gz WIXQYOUETYDHCO-UYAOXDASSA-N 1 3 366.550 0.565 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1)N(C)C ZINC000961668488 1214263551 /nfs/dbraw/zinc/26/35/51/1214263551.db2.gz FUSVFJXUOCTWHW-IGKNDFSCSA-N 1 3 364.534 0.974 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1)N(C)C ZINC000961668488 1214263557 /nfs/dbraw/zinc/26/35/57/1214263557.db2.gz FUSVFJXUOCTWHW-IGKNDFSCSA-N 1 3 364.534 0.974 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001039867290 1214451883 /nfs/dbraw/zinc/45/18/83/1214451883.db2.gz GLCROSUZXDOWSV-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039867290 1214451886 /nfs/dbraw/zinc/45/18/86/1214451886.db2.gz GLCROSUZXDOWSV-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057854622 1216595458 /nfs/dbraw/zinc/59/54/58/1216595458.db2.gz OZYAPJILYTYDTD-ZACQAIPSSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057854622 1216595464 /nfs/dbraw/zinc/59/54/64/1216595464.db2.gz OZYAPJILYTYDTD-ZACQAIPSSA-N 1 3 368.522 0.138 20 0 FCADHO CO[C@@H](C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024210 1216902718 /nfs/dbraw/zinc/90/27/18/1216902718.db2.gz GEZXZHLJULHRPZ-XHSDSOJGSA-N 1 3 364.494 0.386 20 0 FCADHO CO[C@@H](C)CN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024210 1216902720 /nfs/dbraw/zinc/90/27/20/1216902720.db2.gz GEZXZHLJULHRPZ-XHSDSOJGSA-N 1 3 364.494 0.386 20 0 FCADHO CCOC(=O)[C@@H]1CN(CCN(C)C)C(=O)C12CC[NH+](C[C@H](C)CO)CC2 ZINC001276974418 1225780711 /nfs/dbraw/zinc/78/07/11/1225780711.db2.gz SBRNFAAJVCUGHW-HOTGVXAUSA-N 1 3 369.506 0.280 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCC2)CC[N@@H+]1C ZINC001048527760 1218280910 /nfs/dbraw/zinc/28/09/10/1218280910.db2.gz NGBFFPJRFWJGEM-UYTYNIKBSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N2CCC2)CC[N@H+]1C ZINC001048527760 1218280914 /nfs/dbraw/zinc/28/09/14/1218280914.db2.gz NGBFFPJRFWJGEM-UYTYNIKBSA-N 1 3 362.518 0.918 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000803995636 1218579577 /nfs/dbraw/zinc/57/95/77/1218579577.db2.gz JLJXSBSOMQHENE-SJORKVTESA-N 1 3 366.506 0.347 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226799870 1225854807 /nfs/dbraw/zinc/85/48/07/1225854807.db2.gz FLBYZSYKQNGJRI-KZNAEPCWSA-N 1 3 368.522 0.496 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804057414 1219112309 /nfs/dbraw/zinc/11/23/09/1219112309.db2.gz PKMXNGKIKUSYCS-ULQDDVLXSA-N 1 3 366.506 0.156 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804057414 1219112313 /nfs/dbraw/zinc/11/23/13/1219112313.db2.gz PKMXNGKIKUSYCS-ULQDDVLXSA-N 1 3 366.506 0.156 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804062553 1219117506 /nfs/dbraw/zinc/11/75/06/1219117506.db2.gz ICARZSLAICBOHE-IAGOWNOFSA-N 1 3 366.506 0.300 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326965 1219377773 /nfs/dbraw/zinc/37/77/73/1219377773.db2.gz LVBCZDWWBAHKFQ-KSZLIROESA-N 1 3 354.458 0.772 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070326965 1219377777 /nfs/dbraw/zinc/37/77/77/1219377777.db2.gz LVBCZDWWBAHKFQ-KSZLIROESA-N 1 3 354.458 0.772 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001070694988 1219528596 /nfs/dbraw/zinc/52/85/96/1219528596.db2.gz KMMSEQDQCYVMRV-NUEKZKHPSA-N 1 3 358.446 0.306 20 0 FCADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001071060960 1219597539 /nfs/dbraw/zinc/59/75/39/1219597539.db2.gz GLFRQODKJVFLLJ-IMJJTQAJSA-N 1 3 366.506 0.330 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCn2cncn2)C3)CC[N@@H+]1C ZINC001098846232 1219839238 /nfs/dbraw/zinc/83/92/38/1219839238.db2.gz AAJPAONIRRPEFZ-BMFAXAFESA-N 1 3 360.506 0.979 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCn2cncn2)C3)CC[N@H+]1C ZINC001098846232 1219839242 /nfs/dbraw/zinc/83/92/42/1219839242.db2.gz AAJPAONIRRPEFZ-BMFAXAFESA-N 1 3 360.506 0.979 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099122462 1219921039 /nfs/dbraw/zinc/92/10/39/1219921039.db2.gz VBOSHLCZTQKLRT-GJYPPUQNSA-N 1 3 363.506 0.324 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099122462 1219921043 /nfs/dbraw/zinc/92/10/43/1219921043.db2.gz VBOSHLCZTQKLRT-GJYPPUQNSA-N 1 3 363.506 0.324 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001228603672 1225934955 /nfs/dbraw/zinc/93/49/55/1225934955.db2.gz RIBZVDGZZSGDEH-RRFJBIMHSA-N 1 3 367.494 0.191 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001099446277 1219998668 /nfs/dbraw/zinc/99/86/68/1219998668.db2.gz KJLNBPHUXNEDBC-FCEWJHQRSA-N 1 3 362.518 0.920 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C3)nn1 ZINC001099446046 1219998792 /nfs/dbraw/zinc/99/87/92/1219998792.db2.gz HQYXEWRJBUFDCY-WDYCEAGBSA-N 1 3 360.506 0.874 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243576 1220242633 /nfs/dbraw/zinc/24/26/33/1220242633.db2.gz NNKPDJSPYRLBHU-OYRIPWCXSA-N 1 3 362.518 0.633 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243576 1220242637 /nfs/dbraw/zinc/24/26/37/1220242637.db2.gz NNKPDJSPYRLBHU-OYRIPWCXSA-N 1 3 362.518 0.633 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443256 1220347716 /nfs/dbraw/zinc/34/77/16/1220347716.db2.gz BIBPMHYUWCNMCF-MDZRGWNJSA-N 1 3 360.506 0.888 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443256 1220347719 /nfs/dbraw/zinc/34/77/19/1220347719.db2.gz BIBPMHYUWCNMCF-MDZRGWNJSA-N 1 3 360.506 0.888 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015897 1220462877 /nfs/dbraw/zinc/46/28/77/1220462877.db2.gz UWJMLFQWJQOVKB-OIISXLGYSA-N 1 3 370.513 0.877 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015897 1220462880 /nfs/dbraw/zinc/46/28/80/1220462880.db2.gz UWJMLFQWJQOVKB-OIISXLGYSA-N 1 3 370.513 0.877 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015454 1220462887 /nfs/dbraw/zinc/46/28/87/1220462887.db2.gz GFTKKMBHKGQJCZ-BZUAXINKSA-N 1 3 371.501 0.376 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015454 1220462888 /nfs/dbraw/zinc/46/28/88/1220462888.db2.gz GFTKKMBHKGQJCZ-BZUAXINKSA-N 1 3 371.501 0.376 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108622 1220499156 /nfs/dbraw/zinc/49/91/56/1220499156.db2.gz UZHLATDOXMXVBA-INMHGKMJSA-N 1 3 361.490 0.856 20 0 FCADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214904 1220557745 /nfs/dbraw/zinc/55/77/45/1220557745.db2.gz FWRKRFKABCPJHF-RBSFLKMASA-N 1 3 364.490 0.350 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369661 1220595686 /nfs/dbraw/zinc/59/56/86/1220595686.db2.gz BWSAJFPAPOCIMJ-LZLYRXPVSA-N 1 3 360.502 0.911 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369661 1220595691 /nfs/dbraw/zinc/59/56/91/1220595691.db2.gz BWSAJFPAPOCIMJ-LZLYRXPVSA-N 1 3 360.502 0.911 20 0 FCADHO Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102369761 1220595952 /nfs/dbraw/zinc/59/59/52/1220595952.db2.gz GOJDCYLOIZGNBI-HDMKZQKVSA-N 1 3 362.522 0.921 20 0 FCADHO Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102369761 1220595956 /nfs/dbraw/zinc/59/59/56/1220595956.db2.gz GOJDCYLOIZGNBI-HDMKZQKVSA-N 1 3 362.522 0.921 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375568 1220600768 /nfs/dbraw/zinc/60/07/68/1220600768.db2.gz QFLNXSKPONGIRR-HZPDHXFCSA-N 1 3 367.538 0.674 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375568 1220600776 /nfs/dbraw/zinc/60/07/76/1220600776.db2.gz QFLNXSKPONGIRR-HZPDHXFCSA-N 1 3 367.538 0.674 20 0 FCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102524515 1220680683 /nfs/dbraw/zinc/68/06/83/1220680683.db2.gz JLWDGDAVQZZFIJ-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102524515 1220680685 /nfs/dbraw/zinc/68/06/85/1220680685.db2.gz JLWDGDAVQZZFIJ-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596625 1220718127 /nfs/dbraw/zinc/71/81/27/1220718127.db2.gz PWRRFPKHPMLBIA-QLFBSQMISA-N 1 3 367.494 0.130 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229202527 1225988657 /nfs/dbraw/zinc/98/86/57/1225988657.db2.gz VRNAUWLBTZWMDH-RBSFLKMASA-N 1 3 369.510 0.579 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050258 1220824052 /nfs/dbraw/zinc/82/40/52/1220824052.db2.gz ZQFLOWJGISIPBI-ZACQAIPSSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103050258 1220824054 /nfs/dbraw/zinc/82/40/54/1220824054.db2.gz ZQFLOWJGISIPBI-ZACQAIPSSA-N 1 3 370.513 0.973 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083740 1220830380 /nfs/dbraw/zinc/83/03/80/1220830380.db2.gz HLSMGZCHBVZZPQ-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083740 1220830383 /nfs/dbraw/zinc/83/03/83/1220830383.db2.gz HLSMGZCHBVZZPQ-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089786 1220830763 /nfs/dbraw/zinc/83/07/63/1220830763.db2.gz BAORRJBUZMNMEJ-MGPQQGTHSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089786 1220830766 /nfs/dbraw/zinc/83/07/66/1220830766.db2.gz BAORRJBUZMNMEJ-MGPQQGTHSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087225 1220831031 /nfs/dbraw/zinc/83/10/31/1220831031.db2.gz CFYGGVXXGWTCDS-OLMNPRSZSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087225 1220831032 /nfs/dbraw/zinc/83/10/32/1220831032.db2.gz CFYGGVXXGWTCDS-OLMNPRSZSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087418 1220831197 /nfs/dbraw/zinc/83/11/97/1220831197.db2.gz GZOSNBJWCZXDSM-DJIMGWMZSA-N 1 3 365.522 0.426 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087418 1220831198 /nfs/dbraw/zinc/83/11/98/1220831198.db2.gz GZOSNBJWCZXDSM-DJIMGWMZSA-N 1 3 365.522 0.426 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378806 1220873870 /nfs/dbraw/zinc/87/38/70/1220873870.db2.gz LJDPEWYTIFYNKO-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407571 1220878031 /nfs/dbraw/zinc/87/80/31/1220878031.db2.gz JSJYDHDQJRBGLS-IIAWOOMASA-N 1 3 369.510 0.102 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436390 1220882376 /nfs/dbraw/zinc/88/23/76/1220882376.db2.gz WCGYSLLHPKZOOD-LZLYRXPVSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436390 1220882379 /nfs/dbraw/zinc/88/23/79/1220882379.db2.gz WCGYSLLHPKZOOD-LZLYRXPVSA-N 1 3 364.534 0.929 20 0 FCADHO CC[C@@H](C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642251 1220926140 /nfs/dbraw/zinc/92/61/40/1220926140.db2.gz WQKWDIYUQBHRPN-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757210 1220966427 /nfs/dbraw/zinc/96/64/27/1220966427.db2.gz QSGACVMRYBSMJF-KFWWJZLASA-N 1 3 367.494 0.130 20 0 FCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757210 1220966430 /nfs/dbraw/zinc/96/64/30/1220966430.db2.gz QSGACVMRYBSMJF-KFWWJZLASA-N 1 3 367.494 0.130 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001229503868 1226015277 /nfs/dbraw/zinc/01/52/77/1226015277.db2.gz NXYKDVHNCJQCMM-GVDBMIGSSA-N 1 3 368.522 0.640 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001229503868 1226015282 /nfs/dbraw/zinc/01/52/82/1226015282.db2.gz NXYKDVHNCJQCMM-GVDBMIGSSA-N 1 3 368.522 0.640 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(CCNC(=O)C2CC2)C3)C1 ZINC001111938385 1221179851 /nfs/dbraw/zinc/17/98/51/1221179851.db2.gz YUOPJYVWLYROLU-KNBMTAEXSA-N 1 3 362.518 0.825 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(CCNC(=O)C2CC2)C3)C1 ZINC001111938385 1221179852 /nfs/dbraw/zinc/17/98/52/1221179852.db2.gz YUOPJYVWLYROLU-KNBMTAEXSA-N 1 3 362.518 0.825 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111947744 1221182451 /nfs/dbraw/zinc/18/24/51/1221182451.db2.gz YMZBFRRFOFIQOE-LPHOPBHVSA-N 1 3 365.522 0.714 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001229860734 1226036641 /nfs/dbraw/zinc/03/66/41/1226036641.db2.gz ZYVDTMIATOAWPX-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001229868179 1226037168 /nfs/dbraw/zinc/03/71/68/1226037168.db2.gz BGHBYHFZVRPVAY-HUUCEWRRSA-N 1 3 367.494 0.287 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001116986798 1221419849 /nfs/dbraw/zinc/41/98/49/1221419849.db2.gz VECRKXHHDYRCEM-OAHLLOKOSA-N 1 3 373.501 0.934 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCc2ccco2)C1 ZINC001230138019 1226056596 /nfs/dbraw/zinc/05/65/96/1226056596.db2.gz CEBFWGDTOZJNNE-DJIMGWMZSA-N 1 3 362.474 0.865 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCc2ccco2)C1 ZINC001230138019 1226056602 /nfs/dbraw/zinc/05/66/02/1226056602.db2.gz CEBFWGDTOZJNNE-DJIMGWMZSA-N 1 3 362.474 0.865 20 0 FCADHO [NH2+]=C(NC[C@H](O)CN1CCCC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC001118411806 1221776446 /nfs/dbraw/zinc/77/64/46/1221776446.db2.gz OENLUGYXNVGDKQ-SFHVURJKSA-N 1 3 373.501 0.748 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118571485 1221801995 /nfs/dbraw/zinc/80/19/95/1221801995.db2.gz DMBBYFGARBLQGZ-HOTGVXAUSA-N 1 3 362.478 0.576 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001118571489 1221802221 /nfs/dbraw/zinc/80/22/21/1221802221.db2.gz DMBBYFGARBLQGZ-JKSUJKDBSA-N 1 3 362.478 0.576 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001118644530 1221812731 /nfs/dbraw/zinc/81/27/31/1221812731.db2.gz OSIFBFPDFACEOV-QGZVFWFLSA-N 1 3 366.506 0.345 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000828284774 1222399684 /nfs/dbraw/zinc/39/96/84/1222399684.db2.gz RXJJPWCREDARNI-BRWVUGGUSA-N 1 3 366.506 0.345 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841162869 1222811326 /nfs/dbraw/zinc/81/13/26/1222811326.db2.gz NEJGFHCNQJYUQP-HNNXBMFYSA-N 1 3 359.474 0.574 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000841932874 1222832326 /nfs/dbraw/zinc/83/23/26/1222832326.db2.gz IDIHLCSPIYFPHY-UHFFFAOYSA-N 1 3 373.501 0.637 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC000842171821 1222838919 /nfs/dbraw/zinc/83/89/19/1222838919.db2.gz XNUUJIIWPLYRAX-UHFFFAOYSA-N 1 3 372.513 0.930 20 0 FCADHO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842164387 1222838978 /nfs/dbraw/zinc/83/89/78/1222838978.db2.gz JMFSSCCKOVRZPX-SJORKVTESA-N 1 3 366.506 0.394 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842274688 1222846133 /nfs/dbraw/zinc/84/61/33/1222846133.db2.gz YGDXDDJQYKLIHM-ZWKOTPCHSA-N 1 3 360.502 0.863 20 0 FCADHO C[C@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000842478775 1222848121 /nfs/dbraw/zinc/84/81/21/1222848121.db2.gz PBXZVWMUUFHQSP-KBPBESRZSA-N 1 3 365.478 0.579 20 0 FCADHO C[C@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C[NH3+] ZINC000842478780 1222848180 /nfs/dbraw/zinc/84/81/80/1222848180.db2.gz PBXZVWMUUFHQSP-UONOGXRCSA-N 1 3 365.478 0.579 20 0 FCADHO CC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001277712571 1226168940 /nfs/dbraw/zinc/16/89/40/1226168940.db2.gz JWVJDENMCYKGSJ-UYAOXDASSA-N 1 3 366.550 0.852 20 0 FCADHO CC[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001277712571 1226168942 /nfs/dbraw/zinc/16/89/42/1226168942.db2.gz JWVJDENMCYKGSJ-UYAOXDASSA-N 1 3 366.550 0.852 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720868 1223081182 /nfs/dbraw/zinc/08/11/82/1223081182.db2.gz QRNIOXRPCCPWNF-APWZRJJASA-N 1 3 371.485 0.561 20 0 FCADHO O=C(C[C@@H]1Cc2ccccc2CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260516 1223092309 /nfs/dbraw/zinc/09/23/09/1223092309.db2.gz FCEANNDYWVSMNE-KRWDZBQOSA-N 1 3 366.469 0.804 20 0 FCADHO COc1ccc([C@@H](N)CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cn1 ZINC001158261071 1223092634 /nfs/dbraw/zinc/09/26/34/1223092634.db2.gz JKFSXWAQPPTTOF-AWEZNQCLSA-N 1 3 371.445 0.193 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2cc(C)nn2C)CC[N@@H+]1C ZINC001158412645 1223097209 /nfs/dbraw/zinc/09/72/09/1223097209.db2.gz SMRNOUHSBSCJFJ-LSDHHAIUSA-N 1 3 364.494 0.493 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2cc(C)nn2C)CC[N@H+]1C ZINC001158412645 1223097213 /nfs/dbraw/zinc/09/72/13/1223097213.db2.gz SMRNOUHSBSCJFJ-LSDHHAIUSA-N 1 3 364.494 0.493 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001158602324 1223103271 /nfs/dbraw/zinc/10/32/71/1223103271.db2.gz XUUQIPHFTQLJEK-AWEZNQCLSA-N 1 3 355.442 0.714 20 0 FCADHO CN1CCC(N(c2ccnc(N3CCOCC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158581406 1223103315 /nfs/dbraw/zinc/10/33/15/1223103315.db2.gz REFKPCQXBVHFQG-UHFFFAOYSA-N 1 3 360.506 0.966 20 0 FCADHO N[C@@H](C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935674 1223113456 /nfs/dbraw/zinc/11/34/56/1223113456.db2.gz YYTUKYNTDXWGFN-LZLYRXPVSA-N 1 3 357.458 0.110 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159037038 1223116326 /nfs/dbraw/zinc/11/63/26/1223116326.db2.gz HRNPYFNEPGBJRS-KRWDZBQOSA-N 1 3 364.490 0.929 20 0 FCADHO O=C(N1Cc2cncn2C[C@@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159192191 1223120194 /nfs/dbraw/zinc/12/01/94/1223120194.db2.gz OKNKYXQEXRPCRD-SQGPQFPESA-N 1 3 373.501 0.467 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001159318415 1223124314 /nfs/dbraw/zinc/12/43/14/1223124314.db2.gz NVLIDDMKAABXOK-HNNXBMFYSA-N 1 3 373.461 0.188 20 0 FCADHO O=C(N1CCCn2cnc(CNC3CCC3)c2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159548403 1223129364 /nfs/dbraw/zinc/12/93/64/1223129364.db2.gz ADBTZUIPKAZSKM-AUUYWEPGSA-N 1 3 358.490 0.209 20 0 FCADHO NC1(C(=O)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)CC1 ZINC001159565502 1223129963 /nfs/dbraw/zinc/12/99/63/1223129963.db2.gz FBPWOSSBAJLBCG-UHFFFAOYSA-N 1 3 352.442 0.857 20 0 FCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)[C@@H]2C ZINC001159632817 1223131409 /nfs/dbraw/zinc/13/14/09/1223131409.db2.gz AIRXYZKAGDLINJ-YQFWSFKMSA-N 1 3 360.506 0.576 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677534 1223133627 /nfs/dbraw/zinc/13/36/27/1223133627.db2.gz LJQUMLJFAUPCCG-MRXNPFEDSA-N 1 3 371.485 0.088 20 0 FCADHO N[C@H](C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696118 1223133989 /nfs/dbraw/zinc/13/39/89/1223133989.db2.gz COCFJEOSPFJJRR-MSOLQXFVSA-N 1 3 370.497 0.836 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159722947 1223135251 /nfs/dbraw/zinc/13/52/51/1223135251.db2.gz NIDNEQHPUFILSC-UONOGXRCSA-N 1 3 371.445 0.263 20 0 FCADHO N[C@@H](C(=O)N1CCCn2cnc(Cn3cccn3)c2C1)C1CC[NH2+]CC1 ZINC001159980743 1223141329 /nfs/dbraw/zinc/14/13/29/1223141329.db2.gz QWLRVQZCUGDAEQ-QGZVFWFLSA-N 1 3 357.462 0.187 20 0 FCADHO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001160034395 1223142884 /nfs/dbraw/zinc/14/28/84/1223142884.db2.gz CHGYVIBLJDWGQK-MSOLQXFVSA-N 1 3 366.469 0.823 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160109718 1223145877 /nfs/dbraw/zinc/14/58/77/1223145877.db2.gz GVFGNTXYHPFSAE-CVEARBPZSA-N 1 3 359.474 0.503 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298893 1223153640 /nfs/dbraw/zinc/15/36/40/1223153640.db2.gz AUSQUBPNAZROGQ-LIRRHRJNSA-N 1 3 374.441 0.437 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414854 1223157725 /nfs/dbraw/zinc/15/77/25/1223157725.db2.gz DWUWQGZTIQKNKE-MAUKXSAKSA-N 1 3 360.462 0.278 20 0 FCADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160413484 1223157844 /nfs/dbraw/zinc/15/78/44/1223157844.db2.gz ZGLUHZCOPOKDOL-PMPSAXMXSA-N 1 3 372.469 0.827 20 0 FCADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160413484 1223157847 /nfs/dbraw/zinc/15/78/47/1223157847.db2.gz ZGLUHZCOPOKDOL-PMPSAXMXSA-N 1 3 372.469 0.827 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001160436642 1223160142 /nfs/dbraw/zinc/16/01/42/1223160142.db2.gz VGFVJVNUOWJZGH-OAHLLOKOSA-N 1 3 368.441 0.647 20 0 FCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585939 1223165195 /nfs/dbraw/zinc/16/51/95/1223165195.db2.gz UROLCUUAPPCYQV-AWEZNQCLSA-N 1 3 354.414 0.136 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779508 1223171715 /nfs/dbraw/zinc/17/17/15/1223171715.db2.gz GXKNWTHGNVEWJV-HBFSDRIKSA-N 1 3 358.486 0.620 20 0 FCADHO CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@H]1c1ccccc1 ZINC001160765587 1223171733 /nfs/dbraw/zinc/17/17/33/1223171733.db2.gz BFEAPDFGIURFCN-BZSNNMDCSA-N 1 3 371.481 0.991 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780911 1223172452 /nfs/dbraw/zinc/17/24/52/1223172452.db2.gz ZRBFONGZYVKDQB-DKXUYOFUSA-N 1 3 372.513 0.864 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)c3cncc4c3CCNC4)C[C@H]1C[NH2+]CC2 ZINC001160819147 1223175150 /nfs/dbraw/zinc/17/51/50/1223175150.db2.gz GIPIONDZDVRIJH-AUUYWEPGSA-N 1 3 358.442 0.342 20 0 FCADHO CO[C@@H](CN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1)c1ccccc1 ZINC001160904449 1223180441 /nfs/dbraw/zinc/18/04/41/1223180441.db2.gz GJYAZLGVERONRY-MSOLQXFVSA-N 1 3 358.486 0.327 20 0 FCADHO COCCOc1cccc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)c1 ZINC001160943065 1223181212 /nfs/dbraw/zinc/18/12/12/1223181212.db2.gz HCFOMLRYKLJVET-SFHVURJKSA-N 1 3 374.485 0.169 20 0 FCADHO N[C@@H](C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001160939765 1223181262 /nfs/dbraw/zinc/18/12/62/1223181262.db2.gz FMMZLVTYOVWMIF-LJQANCHMSA-N 1 3 358.486 0.617 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010082 1223183021 /nfs/dbraw/zinc/18/30/21/1223183021.db2.gz GJJZYEOHVKRZHF-INIZCTEOSA-N 1 3 370.453 0.944 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010082 1223183025 /nfs/dbraw/zinc/18/30/25/1223183025.db2.gz GJJZYEOHVKRZHF-INIZCTEOSA-N 1 3 370.453 0.944 20 0 FCADHO Nc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001161077639 1223185239 /nfs/dbraw/zinc/18/52/39/1223185239.db2.gz WXVSGZOTPFWJRP-ROUUACIJSA-N 1 3 373.501 0.601 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269471 1223193541 /nfs/dbraw/zinc/19/35/41/1223193541.db2.gz DXKFAXCPEKGLEC-INIZCTEOSA-N 1 3 369.510 0.078 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274182 1223193574 /nfs/dbraw/zinc/19/35/74/1223193574.db2.gz PYNPXUSDVCDKCZ-XIRDDKMYSA-N 1 3 359.474 0.500 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001161302362 1223194862 /nfs/dbraw/zinc/19/48/62/1223194862.db2.gz KFLMIDGDRNSMLO-UGSOOPFHSA-N 1 3 361.490 0.965 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)CC2)ccn1 ZINC001161306814 1223195282 /nfs/dbraw/zinc/19/52/82/1223195282.db2.gz ZVWIIPLRPFFLDO-MRXNPFEDSA-N 1 3 359.474 0.613 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)CC2)ccn1 ZINC001161306814 1223195287 /nfs/dbraw/zinc/19/52/87/1223195287.db2.gz ZVWIIPLRPFFLDO-MRXNPFEDSA-N 1 3 359.474 0.613 20 0 FCADHO N[C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376591 1223197390 /nfs/dbraw/zinc/19/73/90/1223197390.db2.gz BLWUBYGSDZDWCS-RDJZCZTQSA-N 1 3 356.474 0.457 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161481491 1223201217 /nfs/dbraw/zinc/20/12/17/1223201217.db2.gz XZWGOEMPMPVGHG-ZJNRKIDTSA-N 1 3 369.462 0.060 20 0 FCADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001161572428 1223204663 /nfs/dbraw/zinc/20/46/63/1223204663.db2.gz NWASEPUTPUAURS-INIZCTEOSA-N 1 3 358.442 0.627 20 0 FCADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001161572428 1223204665 /nfs/dbraw/zinc/20/46/65/1223204665.db2.gz NWASEPUTPUAURS-INIZCTEOSA-N 1 3 358.442 0.627 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001162537588 1223218119 /nfs/dbraw/zinc/21/81/19/1223218119.db2.gz ORSKRWCFNYRTDL-LBPRGKRZSA-N 1 3 355.402 0.975 20 0 FCADHO c1cnc(N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2cc3c(nn2)CCNC3)nc1 ZINC001165802201 1223257059 /nfs/dbraw/zinc/25/70/59/1223257059.db2.gz WDQFFTKGIXNNBD-JLJPHGGASA-N 1 3 367.457 0.675 20 0 FCADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859764 1223487165 /nfs/dbraw/zinc/48/71/65/1223487165.db2.gz WQZUBFGNDWJTCC-BRWVUGGUSA-N 1 3 369.506 0.075 20 0 FCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036483 1223508058 /nfs/dbraw/zinc/50/80/58/1223508058.db2.gz MKOQCOMXBXYBIK-LGFHUAIBSA-N 1 3 363.502 0.713 20 0 FCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036483 1223508062 /nfs/dbraw/zinc/50/80/62/1223508062.db2.gz MKOQCOMXBXYBIK-LGFHUAIBSA-N 1 3 363.502 0.713 20 0 FCADHO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001208281296 1223529764 /nfs/dbraw/zinc/52/97/64/1223529764.db2.gz BEFNOXKZYSCIRA-IXDOHACOSA-N 1 3 371.522 0.321 20 0 FCADHO COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001208281296 1223529765 /nfs/dbraw/zinc/52/97/65/1223529765.db2.gz BEFNOXKZYSCIRA-IXDOHACOSA-N 1 3 371.522 0.321 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COc2ccccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495873 1223550862 /nfs/dbraw/zinc/55/08/62/1223550862.db2.gz BBFSYERDIXEGMK-BFYDXBDKSA-N 1 3 367.465 0.954 20 0 FCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001209327695 1223611119 /nfs/dbraw/zinc/61/11/19/1223611119.db2.gz LMSZZYGLBLJCEN-CRAIPNDOSA-N 1 3 363.506 0.921 20 0 FCADHO C[NH+](C)CCN1CC[C@@]2(CCCN(CC(=O)N3CCOCC3)CC2)C1=O ZINC001276675517 1223657988 /nfs/dbraw/zinc/65/79/88/1223657988.db2.gz BIJFUPOZYKCDSF-IBGZPJMESA-N 1 3 366.506 0.111 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210041530 1223663078 /nfs/dbraw/zinc/66/30/78/1223663078.db2.gz SPXPPUQXATUDKQ-SOLBZPMBSA-N 1 3 367.490 0.935 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCc2ccco2)C[C@H]1C ZINC001210041530 1223663079 /nfs/dbraw/zinc/66/30/79/1223663079.db2.gz SPXPPUQXATUDKQ-SOLBZPMBSA-N 1 3 367.490 0.935 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001214780221 1223941737 /nfs/dbraw/zinc/94/17/37/1223941737.db2.gz PWWPYTGPQVNIKU-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001214780221 1223941738 /nfs/dbraw/zinc/94/17/38/1223941738.db2.gz PWWPYTGPQVNIKU-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214849970 1223947883 /nfs/dbraw/zinc/94/78/83/1223947883.db2.gz MCILYBSJIQPFKP-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214849970 1223947887 /nfs/dbraw/zinc/94/78/87/1223947887.db2.gz MCILYBSJIQPFKP-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847636 1223948083 /nfs/dbraw/zinc/94/80/83/1223948083.db2.gz LZESBWOQOBHHCJ-HZSPNIEDSA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214855710 1223948642 /nfs/dbraw/zinc/94/86/42/1223948642.db2.gz LRBJZAZTZIJRCO-MZMPZRCHSA-N 1 3 366.506 0.058 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC(=O)NCC1CC1 ZINC001214948638 1223958520 /nfs/dbraw/zinc/95/85/20/1223958520.db2.gz UWPCNJPGNKHFJP-NVXWUHKLSA-N 1 3 362.518 0.825 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1)N(C)C ZINC001214952740 1223959298 /nfs/dbraw/zinc/95/92/98/1223959298.db2.gz KHTDNVGDBBMEKI-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1)N(C)C ZINC001214953055 1223959407 /nfs/dbraw/zinc/95/94/07/1223959407.db2.gz ZAZKKOHEJPAEJO-MGPQQGTHSA-N 1 3 369.510 0.387 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056725 1223968899 /nfs/dbraw/zinc/96/88/99/1223968899.db2.gz DOMQCXRFQLLFPQ-HZPDHXFCSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215413422 1223997807 /nfs/dbraw/zinc/99/78/07/1223997807.db2.gz FVANJSYWKZDDKK-GDBMZVCRSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)c2)C1)[NH+]1CCCC1 ZINC001215599157 1224008607 /nfs/dbraw/zinc/00/86/07/1224008607.db2.gz SYPZPRVJBITSRB-SOLBZPMBSA-N 1 3 363.506 0.858 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001215686035 1224012616 /nfs/dbraw/zinc/01/26/16/1224012616.db2.gz YKAODMGUNYFPCJ-FRFSOERESA-N 1 3 362.430 0.559 20 0 FCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099217 1224034139 /nfs/dbraw/zinc/03/41/39/1224034139.db2.gz KWAQGKFABNQADF-BFYDXBDKSA-N 1 3 368.522 0.448 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000986773296 1248994116 /nfs/dbraw/zinc/99/41/16/1248994116.db2.gz ZGMSNFZWJDOVBI-SOLBZPMBSA-N 1 3 371.485 0.601 20 0 FCADHO NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)O1 ZINC000849089110 1245391879 /nfs/dbraw/zinc/39/18/79/1245391879.db2.gz UIXHASCSQOYKNX-IAGOWNOFSA-N 1 3 359.474 0.798 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000917085095 1245548880 /nfs/dbraw/zinc/54/88/80/1245548880.db2.gz XBDWSIFVCPTJOW-IAGOWNOFSA-N 1 3 357.502 0.918 20 0 FCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000923480523 1245725400 /nfs/dbraw/zinc/72/54/00/1245725400.db2.gz ACXHFDXYCWRXSP-KRWDZBQOSA-N 1 3 360.502 0.806 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001327865261 1265445373 /nfs/dbraw/zinc/44/53/73/1265445373.db2.gz XRRSFKMQMWTEFC-GOSISDBHSA-N 1 3 368.522 0.728 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001327865261 1265445377 /nfs/dbraw/zinc/44/53/77/1265445377.db2.gz XRRSFKMQMWTEFC-GOSISDBHSA-N 1 3 368.522 0.728 20 0 FCADHO [NH3+]CCN(CC(=O)NC1CCN([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC001327931693 1265457476 /nfs/dbraw/zinc/45/74/76/1265457476.db2.gz AWOMASHRJZVXPA-LJQANCHMSA-N 1 3 360.502 0.817 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)CC[N@@H+]1C ZINC000977208559 1248576490 /nfs/dbraw/zinc/57/64/90/1248576490.db2.gz NUTGJUITHMKZHB-WMOPWKTHSA-N 1 3 362.518 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@@H](C)C2)CC[N@H+]1C ZINC000977208559 1248576501 /nfs/dbraw/zinc/57/65/01/1248576501.db2.gz NUTGJUITHMKZHB-WMOPWKTHSA-N 1 3 362.518 0.632 20 0 FCADHO C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC000997885595 1251736278 /nfs/dbraw/zinc/73/62/78/1251736278.db2.gz IAHADERASOILJJ-RANZSIQMSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656558 1251941853 /nfs/dbraw/zinc/94/18/53/1251941853.db2.gz TXJBQABFHJYJRH-NCOADZHNSA-N 1 3 360.502 0.815 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC001002793571 1252676358 /nfs/dbraw/zinc/67/63/58/1252676358.db2.gz BOQJRBVRYRTUHF-HZMVEIRTSA-N 1 3 362.518 0.918 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC001002793571 1252676366 /nfs/dbraw/zinc/67/63/66/1252676366.db2.gz BOQJRBVRYRTUHF-HZMVEIRTSA-N 1 3 362.518 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001003175372 1252796462 /nfs/dbraw/zinc/79/64/62/1252796462.db2.gz TZABYCYDMIGPHO-JJTUDDRGSA-N 1 3 359.474 0.931 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001003175372 1252796466 /nfs/dbraw/zinc/79/64/66/1252796466.db2.gz TZABYCYDMIGPHO-JJTUDDRGSA-N 1 3 359.474 0.931 20 0 FCADHO CN1CCN(C)[C@H](CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC001329568612 1265784576 /nfs/dbraw/zinc/78/45/76/1265784576.db2.gz JTEYUUQPUCYJKS-MOPGFXCFSA-N 1 3 370.501 0.163 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055980745 1254091590 /nfs/dbraw/zinc/09/15/90/1254091590.db2.gz QFGXDHFWSQVRKE-GPMSIDNRSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055980745 1254091595 /nfs/dbraw/zinc/09/15/95/1254091595.db2.gz QFGXDHFWSQVRKE-GPMSIDNRSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710395 1255583099 /nfs/dbraw/zinc/58/30/99/1255583099.db2.gz GTQXYHSWXGRTDN-ZTFGCOKTSA-N 1 3 358.486 0.664 20 0 FCADHO CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080919480 1256093671 /nfs/dbraw/zinc/09/36/71/1256093671.db2.gz DMOJQKLXLKNUGU-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080919480 1256093674 /nfs/dbraw/zinc/09/36/74/1256093674.db2.gz DMOJQKLXLKNUGU-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082653356 1256956852 /nfs/dbraw/zinc/95/68/52/1256956852.db2.gz HALNTWCKGDGUHU-PWRQTXRISA-N 1 3 359.474 0.220 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCC[C@H](C)C1 ZINC001082863202 1257113566 /nfs/dbraw/zinc/11/35/66/1257113566.db2.gz RXXMXMXNUFORCG-GVDBMIGSSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCc2ccccc21 ZINC001082921141 1257145761 /nfs/dbraw/zinc/14/57/61/1257145761.db2.gz YNNPRYBACMAANJ-BPQIPLTHSA-N 1 3 370.497 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCc2ccccc21 ZINC001082921141 1257145762 /nfs/dbraw/zinc/14/57/62/1257145762.db2.gz YNNPRYBACMAANJ-BPQIPLTHSA-N 1 3 370.497 0.964 20 0 FCADHO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001082923675 1257148439 /nfs/dbraw/zinc/14/84/39/1257148439.db2.gz WUIXIIZDGHWOPG-BRWVUGGUSA-N 1 3 363.506 0.808 20 0 FCADHO O=C(N1CC[C@H]2CCN(CCN3CCCC3=O)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076038 1258572122 /nfs/dbraw/zinc/57/21/22/1258572122.db2.gz FLDFZSWZDIORKG-SJORKVTESA-N 1 3 360.502 0.627 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658168 1258809776 /nfs/dbraw/zinc/80/97/76/1258809776.db2.gz KBYRQXJEYGCXCE-ZACQAIPSSA-N 1 3 365.522 0.570 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092658168 1258809780 /nfs/dbraw/zinc/80/97/80/1258809780.db2.gz KBYRQXJEYGCXCE-ZACQAIPSSA-N 1 3 365.522 0.570 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666708 1258936903 /nfs/dbraw/zinc/93/69/03/1258936903.db2.gz RFHJUXSAOJPDBR-BRWVUGGUSA-N 1 3 367.538 0.720 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106729356 1258948978 /nfs/dbraw/zinc/94/89/78/1258948978.db2.gz OJSSVWCHILMJTQ-RBSFLKMASA-N 1 3 367.494 0.128 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC001106779751 1258961441 /nfs/dbraw/zinc/96/14/41/1258961441.db2.gz VDOZSTPYHMXOKR-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106797515 1258965624 /nfs/dbraw/zinc/96/56/24/1258965624.db2.gz PEMZREPHASJCGZ-SJLPKXTDSA-N 1 3 364.534 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106906102 1258993611 /nfs/dbraw/zinc/99/36/11/1258993611.db2.gz XDBQHYNITDNIND-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001107036156 1259022036 /nfs/dbraw/zinc/02/20/36/1259022036.db2.gz FXUGGFIYWQLUNS-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2ccc(F)cc2)CC[N@@H+]1C ZINC001127643691 1259182625 /nfs/dbraw/zinc/18/26/25/1259182625.db2.gz HAVBKIAUJAPXBW-RHSMWYFYSA-N 1 3 364.465 0.530 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2ccc(F)cc2)CC[N@H+]1C ZINC001127643691 1259182629 /nfs/dbraw/zinc/18/26/29/1259182629.db2.gz HAVBKIAUJAPXBW-RHSMWYFYSA-N 1 3 364.465 0.530 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001127707237 1259184767 /nfs/dbraw/zinc/18/47/67/1259184767.db2.gz WTMRFMIEHFXZBR-QLFBSQMISA-N 1 3 369.510 0.293 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001127707237 1259184769 /nfs/dbraw/zinc/18/47/69/1259184769.db2.gz WTMRFMIEHFXZBR-QLFBSQMISA-N 1 3 369.510 0.293 20 0 FCADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555243 1259416903 /nfs/dbraw/zinc/41/69/03/1259416903.db2.gz PLFNVAHUWVVJLP-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555243 1259416907 /nfs/dbraw/zinc/41/69/07/1259416907.db2.gz PLFNVAHUWVVJLP-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001200556473 1259417576 /nfs/dbraw/zinc/41/75/76/1259417576.db2.gz ZQNKDSLLKYYJJD-IXDOHACOSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001200556473 1259417582 /nfs/dbraw/zinc/41/75/82/1259417582.db2.gz ZQNKDSLLKYYJJD-IXDOHACOSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001200556474 1259417984 /nfs/dbraw/zinc/41/79/84/1259417984.db2.gz ZQNKDSLLKYYJJD-YESZJQIVSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001200556474 1259417988 /nfs/dbraw/zinc/41/79/88/1259417988.db2.gz ZQNKDSLLKYYJJD-YESZJQIVSA-N 1 3 368.522 0.448 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001211713381 1259427539 /nfs/dbraw/zinc/42/75/39/1259427539.db2.gz JMZDIMOUCZKKFX-CEXWTWQISA-N 1 3 363.502 0.920 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC(C)C)C1 ZINC001216226336 1259537441 /nfs/dbraw/zinc/53/74/41/1259537441.db2.gz SRFOWRMDOQKYDH-HUUCEWRRSA-N 1 3 369.510 0.247 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC(C)C)C1 ZINC001216226336 1259537448 /nfs/dbraw/zinc/53/74/48/1259537448.db2.gz SRFOWRMDOQKYDH-HUUCEWRRSA-N 1 3 369.510 0.247 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccc(OC)c(OC)n3)C[C@H]1C2 ZINC001236025406 1259585348 /nfs/dbraw/zinc/58/53/48/1259585348.db2.gz BIGYJGOWVLZNOL-JUIVLLAYSA-N 1 3 361.442 0.929 20 0 FCADHO COc1cccc(C(=O)N2CCC([NH2+]C[C@]3(O)CCNC[C@@H]3F)CC2)c1 ZINC001246085519 1259647539 /nfs/dbraw/zinc/64/75/39/1259647539.db2.gz XLFCFGGPTUCFHY-PKOBYXMFSA-N 1 3 365.449 0.952 20 0 FCADHO COc1ccc(C(=O)N2CCC([NH2+]C[C@]3(O)CCNC[C@@H]3F)CC2)cc1 ZINC001246085911 1259647934 /nfs/dbraw/zinc/64/79/34/1259647934.db2.gz BEJUUPSUDQBRLQ-PKOBYXMFSA-N 1 3 365.449 0.952 20 0 FCADHO COC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC001246328353 1259652354 /nfs/dbraw/zinc/65/23/54/1259652354.db2.gz LHPIBVOCJKAZII-GOSISDBHSA-N 1 3 372.513 0.878 20 0 FCADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251013621 1259728869 /nfs/dbraw/zinc/72/88/69/1259728869.db2.gz JKHGOSDCIOXUBB-VAMGGRTRSA-N 1 3 367.534 0.360 20 0 FCADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251013621 1259728874 /nfs/dbraw/zinc/72/88/74/1259728874.db2.gz JKHGOSDCIOXUBB-VAMGGRTRSA-N 1 3 367.534 0.360 20 0 FCADHO CN1CCN(CCCCNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC001251989443 1259772022 /nfs/dbraw/zinc/77/20/22/1259772022.db2.gz DLIBPFUDUIQNEY-UHFFFAOYSA-N 1 3 369.554 0.766 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1CN([C@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524245 1259889631 /nfs/dbraw/zinc/88/96/31/1259889631.db2.gz VPEYNPGPWYGZAK-YLFCFFPRSA-N 1 3 361.490 0.866 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1CN([C@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001254524245 1259889640 /nfs/dbraw/zinc/88/96/40/1259889640.db2.gz VPEYNPGPWYGZAK-YLFCFFPRSA-N 1 3 361.490 0.866 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862314 1259976453 /nfs/dbraw/zinc/97/64/53/1259976453.db2.gz CDKBGQGIZLRELZ-RBUKOAKNSA-N 1 3 372.513 0.972 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862314 1259976458 /nfs/dbraw/zinc/97/64/58/1259976458.db2.gz CDKBGQGIZLRELZ-RBUKOAKNSA-N 1 3 372.513 0.972 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337533672 1260425072 /nfs/dbraw/zinc/42/50/72/1260425072.db2.gz XXAZGXGIPJEWAZ-KOMQPUFPSA-N 1 3 350.438 0.569 20 0 FCADHO CN(C)C(=O)CN1C[C@H]2C(=O)NC3(CC[NH+](CC4CCCC4)CC3)[C@@H]2C1 ZINC001278451848 1260693696 /nfs/dbraw/zinc/69/36/96/1260693696.db2.gz MXPBVFDWXHQRSL-IAGOWNOFSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)C ZINC001279256854 1260813577 /nfs/dbraw/zinc/81/35/77/1260813577.db2.gz LIZFJZZOBUHZLW-HRCADAONSA-N 1 3 360.502 0.816 20 0 FCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)C ZINC001279256854 1260813582 /nfs/dbraw/zinc/81/35/82/1260813582.db2.gz LIZFJZZOBUHZLW-HRCADAONSA-N 1 3 360.502 0.816 20 0 FCADHO O=C1NC2(CCN(Cc3cc[nH]c3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279309691 1260833661 /nfs/dbraw/zinc/83/36/61/1260833661.db2.gz JFOGWCWSXHAZAK-IAGOWNOFSA-N 1 3 354.458 0.950 20 0 FCADHO O=C1NC2(CCN(Cc3cc[nH]c3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279309691 1260833672 /nfs/dbraw/zinc/83/36/72/1260833672.db2.gz JFOGWCWSXHAZAK-IAGOWNOFSA-N 1 3 354.458 0.950 20 0 FCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332279917 1266370070 /nfs/dbraw/zinc/37/00/70/1266370070.db2.gz LMTFHFOJXXKILJ-ROUUACIJSA-N 1 3 369.469 0.650 20 0 FCADHO CC[NH+]1CCC(CN2CC3(C2)CN(C(=O)Cn2cccnc2=O)C3)CC1 ZINC001279499215 1260880314 /nfs/dbraw/zinc/88/03/14/1260880314.db2.gz XWPKZXBTEDACSB-UHFFFAOYSA-N 1 3 359.474 0.119 20 0 FCADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccnc(N3CCOCC3)c1)C2 ZINC001279668429 1260910847 /nfs/dbraw/zinc/91/08/47/1260910847.db2.gz WBDZOQKCLZIOBA-MOPGFXCFSA-N 1 3 359.518 0.986 20 0 FCADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC001279714455 1260919554 /nfs/dbraw/zinc/91/95/54/1260919554.db2.gz LRMBBSUGNNRELV-RBUKOAKNSA-N 1 3 359.518 0.986 20 0 FCADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC001279714455 1260919558 /nfs/dbraw/zinc/91/95/58/1260919558.db2.gz LRMBBSUGNNRELV-RBUKOAKNSA-N 1 3 359.518 0.986 20 0 FCADHO C[C@@H]1C[C@@H]1CN1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825484 1260939035 /nfs/dbraw/zinc/93/90/35/1260939035.db2.gz XRZRQRLMZCEEPO-UKRRQHHQSA-N 1 3 361.494 0.981 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(CC(=O)N3CCN(C)CC3)C2)C1 ZINC001280073294 1260990843 /nfs/dbraw/zinc/99/08/43/1260990843.db2.gz AKGHDNALLHPJNG-FQEVSTJZSA-N 1 3 365.566 0.500 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(CC(=O)N3CCN(C)CC3)C2)C1 ZINC001280073294 1260990852 /nfs/dbraw/zinc/99/08/52/1260990852.db2.gz AKGHDNALLHPJNG-FQEVSTJZSA-N 1 3 365.566 0.500 20 0 FCADHO Cn1cncc1N1CC[N@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280119639 1261009005 /nfs/dbraw/zinc/00/90/05/1261009005.db2.gz ABAIIEKZZDOREM-SFHVURJKSA-N 1 3 357.462 0.478 20 0 FCADHO Cn1cncc1N1CC[N@@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280119639 1261009011 /nfs/dbraw/zinc/00/90/11/1261009011.db2.gz ABAIIEKZZDOREM-SFHVURJKSA-N 1 3 357.462 0.478 20 0 FCADHO C[C@@H](NC(=O)C1=NO[C@@H]2CN(CC3CC[NH+](C)CC3)C[C@H]12)c1ncc[nH]1 ZINC001280125509 1261010507 /nfs/dbraw/zinc/01/05/07/1261010507.db2.gz KXZSJURLBVVGRW-VHDGCEQUSA-N 1 3 360.462 0.615 20 0 FCADHO C[C@@H]1CN(C(=O)C2=NO[C@@H]3CN(CC4CC[NH+](C)CC4)C[C@H]23)C[C@H](C)O1 ZINC001280125647 1261010922 /nfs/dbraw/zinc/01/09/22/1261010922.db2.gz MTEXEDSZVUXXPJ-HDEZJCGLSA-N 1 3 364.490 0.651 20 0 FCADHO Cc1cc(CN2C[C@@H]3C(=O)NC4(CC[NH+](C[C@@H](C)O)CC4)[C@H]3C2)n(C)n1 ZINC001280188740 1261025954 /nfs/dbraw/zinc/02/59/54/1261025954.db2.gz JODHDCRLHCSQLS-PVAVHDDUSA-N 1 3 361.490 0.122 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1)N(C)C ZINC001281890503 1261261198 /nfs/dbraw/zinc/26/11/98/1261261198.db2.gz KXCQGJNFWPEULR-ZACQAIPSSA-N 1 3 368.522 0.281 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001289719743 1262322254 /nfs/dbraw/zinc/32/22/54/1262322254.db2.gz CWFMFSGSKZARLQ-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317590156 1263516474 /nfs/dbraw/zinc/51/64/74/1263516474.db2.gz WDPZSTPHHRRMOL-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317590156 1263516485 /nfs/dbraw/zinc/51/64/85/1263516485.db2.gz WDPZSTPHHRRMOL-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317590157 1263517012 /nfs/dbraw/zinc/51/70/12/1263517012.db2.gz WDPZSTPHHRRMOL-RRFJBIMHSA-N 1 3 369.510 0.245 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317590157 1263517015 /nfs/dbraw/zinc/51/70/15/1263517015.db2.gz WDPZSTPHHRRMOL-RRFJBIMHSA-N 1 3 369.510 0.245 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001580385559 1278204753 /nfs/dbraw/zinc/20/47/53/1278204753.db2.gz OISLWXQOPGZJQM-KBRIMQKVSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001580385559 1278204765 /nfs/dbraw/zinc/20/47/65/1278204765.db2.gz OISLWXQOPGZJQM-KBRIMQKVSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001580385559 1278204783 /nfs/dbraw/zinc/20/47/83/1278204783.db2.gz OISLWXQOPGZJQM-KBRIMQKVSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001580385559 1278204795 /nfs/dbraw/zinc/20/47/95/1278204795.db2.gz OISLWXQOPGZJQM-KBRIMQKVSA-N 1 3 369.473 0.897 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001320427892 1263794467 /nfs/dbraw/zinc/79/44/67/1263794467.db2.gz NCAPXJUHSLBFLE-UHFFFAOYSA-N 1 3 362.474 0.651 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001513420005 1265111914 /nfs/dbraw/zinc/11/19/14/1265111914.db2.gz QOBYGSSKHZVVOB-BZUAXINKSA-N 1 3 368.522 0.256 20 0 FCADHO Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC001327024728 1265218912 /nfs/dbraw/zinc/21/89/12/1265218912.db2.gz UIAODSFFHRWXEH-MRXNPFEDSA-N 1 3 362.474 0.497 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC001327499455 1265342380 /nfs/dbraw/zinc/34/23/80/1265342380.db2.gz GBWCBYVRCFRDDF-XJKSGUPXSA-N 1 3 364.450 0.069 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001333676245 1266673293 /nfs/dbraw/zinc/67/32/93/1266673293.db2.gz BNRZENUSIZUTKT-DLBZAZTESA-N 1 3 362.518 0.955 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001334313288 1266941894 /nfs/dbraw/zinc/94/18/94/1266941894.db2.gz FLXLWQUOLLQLSL-PVAVHDDUSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001334313288 1266941906 /nfs/dbraw/zinc/94/19/06/1266941906.db2.gz FLXLWQUOLLQLSL-PVAVHDDUSA-N 1 3 366.506 0.155 20 0 FCADHO COC1(OC)CCOC[C@@H]1NC/C=C\C[NH2+][C@H]1COCCC1(OC)OC ZINC001335067713 1267312321 /nfs/dbraw/zinc/31/23/21/1267312321.db2.gz OBRSCBZUCDEMPQ-XFCCUVRLSA-N 1 3 374.478 0.278 20 0 FCADHO Cn1cc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001548938262 1267773716 /nfs/dbraw/zinc/77/37/16/1267773716.db2.gz KUXMYSMAUGWSEV-UKRRQHHQSA-N 1 3 372.477 0.415 20 0 FCADHO NC[C@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114107 1267813254 /nfs/dbraw/zinc/81/32/54/1267813254.db2.gz BHFWGFNJDGYHAF-APWZRJJASA-N 1 3 358.490 0.576 20 0 FCADHO NC[C@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114107 1267813264 /nfs/dbraw/zinc/81/32/64/1267813264.db2.gz BHFWGFNJDGYHAF-APWZRJJASA-N 1 3 358.490 0.576 20 0 FCADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3[C@H](O)C(C)(C)[C@H]32)C1 ZINC001549897049 1268015574 /nfs/dbraw/zinc/01/55/74/1268015574.db2.gz BYRXHTNYOLJJPJ-NEPXVJNWSA-N 1 3 367.534 0.941 20 0 FCADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3[C@H](O)C(C)(C)[C@H]32)C1 ZINC001549897049 1268015585 /nfs/dbraw/zinc/01/55/85/1268015585.db2.gz BYRXHTNYOLJJPJ-NEPXVJNWSA-N 1 3 367.534 0.941 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001339151180 1268176035 /nfs/dbraw/zinc/17/60/35/1268176035.db2.gz AOMOCGSUYZMEIY-IYBDPMFKSA-N 1 3 354.495 0.204 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339151180 1268176042 /nfs/dbraw/zinc/17/60/42/1268176042.db2.gz AOMOCGSUYZMEIY-IYBDPMFKSA-N 1 3 354.495 0.204 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001339151180 1268176046 /nfs/dbraw/zinc/17/60/46/1268176046.db2.gz AOMOCGSUYZMEIY-IYBDPMFKSA-N 1 3 354.495 0.204 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001339151180 1268176053 /nfs/dbraw/zinc/17/60/53/1268176053.db2.gz AOMOCGSUYZMEIY-IYBDPMFKSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912663 1268184472 /nfs/dbraw/zinc/18/44/72/1268184472.db2.gz JKSSPNXZNQRJNK-UEABVUSTSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551284744 1268223268 /nfs/dbraw/zinc/22/32/68/1268223268.db2.gz DOOVGGQATMIUFE-TVRKMHQQSA-N 1 3 368.522 0.992 20 0 FCADHO CCN1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001551597795 1268283396 /nfs/dbraw/zinc/28/33/96/1268283396.db2.gz XBWNETZNUAFWBW-NVXWUHKLSA-N 1 3 351.495 0.370 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168819 1268400907 /nfs/dbraw/zinc/40/09/07/1268400907.db2.gz WGOLUOLSSGLMAO-JKSUJKDBSA-N 1 3 361.494 0.053 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001552250958 1268421234 /nfs/dbraw/zinc/42/12/34/1268421234.db2.gz DYDYXGCYBADZTL-QZTJIDSGSA-N 1 3 358.486 0.564 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001552250958 1268421238 /nfs/dbraw/zinc/42/12/38/1268421238.db2.gz DYDYXGCYBADZTL-QZTJIDSGSA-N 1 3 358.486 0.564 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001340132268 1268445748 /nfs/dbraw/zinc/44/57/48/1268445748.db2.gz MTWJRBLXCNKYAW-HNNXBMFYSA-N 1 3 368.522 0.402 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606748 1268489502 /nfs/dbraw/zinc/48/95/02/1268489502.db2.gz JNUBVLGMNLLEKA-GVDBMIGSSA-N 1 3 361.494 0.792 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606748 1268489505 /nfs/dbraw/zinc/48/95/05/1268489505.db2.gz JNUBVLGMNLLEKA-GVDBMIGSSA-N 1 3 361.494 0.792 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC001552798892 1268549153 /nfs/dbraw/zinc/54/91/53/1268549153.db2.gz GERRVTNDLMXSRX-KURKYZTESA-N 1 3 368.522 0.726 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC001552798892 1268549158 /nfs/dbraw/zinc/54/91/58/1268549158.db2.gz GERRVTNDLMXSRX-KURKYZTESA-N 1 3 368.522 0.726 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC001552798894 1268550546 /nfs/dbraw/zinc/55/05/46/1268550546.db2.gz GERRVTNDLMXSRX-SQNIBIBYSA-N 1 3 368.522 0.726 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC001552798894 1268550548 /nfs/dbraw/zinc/55/05/48/1268550548.db2.gz GERRVTNDLMXSRX-SQNIBIBYSA-N 1 3 368.522 0.726 20 0 FCADHO CO[C@@H]1CCN([C@@H]2CCC[C@H]2NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC001552848890 1268559196 /nfs/dbraw/zinc/55/91/96/1268559196.db2.gz OJTICCMYBVNTKM-ZJIFWQFVSA-N 1 3 362.478 0.493 20 0 FCADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC001552847454 1268559651 /nfs/dbraw/zinc/55/96/51/1268559651.db2.gz UUGIBCRUIYYTKZ-QWHCGFSZSA-N 1 3 363.487 0.303 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NC1CCN(CCO)CC1)[C@@H](O)C2 ZINC001552996892 1268575669 /nfs/dbraw/zinc/57/56/69/1268575669.db2.gz WSWJLJFYGNFOKL-DFEOGRTESA-N 1 3 368.522 0.222 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NC1CCN(CCO)CC1)[C@@H](O)C2 ZINC001552996892 1268575675 /nfs/dbraw/zinc/57/56/75/1268575675.db2.gz WSWJLJFYGNFOKL-DFEOGRTESA-N 1 3 368.522 0.222 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553405798 1268645273 /nfs/dbraw/zinc/64/52/73/1268645273.db2.gz DPHCKEKDUZJSEI-SLFFLAALSA-N 1 3 372.513 0.960 20 0 FCADHO [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001553441948 1268649814 /nfs/dbraw/zinc/64/98/14/1268649814.db2.gz BZGQWEPWOSIVQW-ZIFCJYIRSA-N 1 3 366.506 0.637 20 0 FCADHO [NH3+][C@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507173 1268660883 /nfs/dbraw/zinc/66/08/83/1268660883.db2.gz JWZQVTDHUSLBPU-HOTGVXAUSA-N 1 3 352.479 0.389 20 0 FCADHO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553546592 1268667454 /nfs/dbraw/zinc/66/74/54/1268667454.db2.gz HYIFQIMUCIWDSK-HZPDHXFCSA-N 1 3 365.522 0.747 20 0 FCADHO C[C@H]1CN2CCN1C[C@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844830 1269243284 /nfs/dbraw/zinc/24/32/84/1269243284.db2.gz LOSAHYSOWCQCPF-HKUYNNGSSA-N 1 3 371.529 0.484 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001343115354 1269780607 /nfs/dbraw/zinc/78/06/07/1269780607.db2.gz BPNIBHZRUAXWRO-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001343115354 1269780618 /nfs/dbraw/zinc/78/06/18/1269780618.db2.gz BPNIBHZRUAXWRO-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)N(C)C ZINC001343451998 1269912574 /nfs/dbraw/zinc/91/25/74/1269912574.db2.gz IXHCAPBOFKMVKS-RYRKJORJSA-N 1 3 368.522 0.137 20 0 FCADHO CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001572970809 1270428969 /nfs/dbraw/zinc/42/89/69/1270428969.db2.gz PDIHZWLRYNHKLF-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874887 1271629249 /nfs/dbraw/zinc/62/92/49/1271629249.db2.gz FLCRIKMSTRPCOM-VXGBXAGGSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874887 1271629255 /nfs/dbraw/zinc/62/92/55/1271629255.db2.gz FLCRIKMSTRPCOM-VXGBXAGGSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574886662 1271647626 /nfs/dbraw/zinc/64/76/26/1271647626.db2.gz NQNSCAOUCQBSJY-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574886662 1271647634 /nfs/dbraw/zinc/64/76/34/1271647634.db2.gz NQNSCAOUCQBSJY-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574886658 1271647665 /nfs/dbraw/zinc/64/76/65/1271647665.db2.gz NQNSCAOUCQBSJY-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574886658 1271647670 /nfs/dbraw/zinc/64/76/70/1271647670.db2.gz NQNSCAOUCQBSJY-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575393829 1272041231 /nfs/dbraw/zinc/04/12/31/1272041231.db2.gz XXKYTWJXYNBYMY-NEPJUHHUSA-N 1 3 363.441 0.940 20 0 FCADHO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575393829 1272041240 /nfs/dbraw/zinc/04/12/40/1272041240.db2.gz XXKYTWJXYNBYMY-NEPJUHHUSA-N 1 3 363.441 0.940 20 0 FCADHO CC(C)[C@@H]1[NH2+]CC12CCN([C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)CC2 ZINC001575524986 1272178629 /nfs/dbraw/zinc/17/86/29/1272178629.db2.gz XISONDVIVOIBDB-PMPSAXMXSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H](NCc1c[nH]nn1)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702097 1272324283 /nfs/dbraw/zinc/32/42/83/1272324283.db2.gz KMBFZNVONQUEJC-ZBFHGGJFSA-N 1 3 350.467 0.386 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485431 1273333912 /nfs/dbraw/zinc/33/39/12/1273333912.db2.gz LTDOOSQQYJMWCD-GOEBONIOSA-N 1 3 350.467 0.244 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485431 1273333922 /nfs/dbraw/zinc/33/39/22/1273333922.db2.gz LTDOOSQQYJMWCD-GOEBONIOSA-N 1 3 350.467 0.244 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCc3c[nH]nn3)CCOCC2)C1 ZINC001576486721 1273335381 /nfs/dbraw/zinc/33/53/81/1273335381.db2.gz ZRXOJCDZUUMKQP-OAHLLOKOSA-N 1 3 364.494 0.682 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCc3c[nH]nn3)CCOCC2)C1 ZINC001576486721 1273335394 /nfs/dbraw/zinc/33/53/94/1273335394.db2.gz ZRXOJCDZUUMKQP-OAHLLOKOSA-N 1 3 364.494 0.682 20 0 FCADHO CCN(CC[NH2+]CCc1c[nH]nn1)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC001576542598 1273426021 /nfs/dbraw/zinc/42/60/21/1273426021.db2.gz UKRDMBIXLJMHIW-INIZCTEOSA-N 1 3 360.466 0.589 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CCN1CCC[C@H](C)C1 ZINC001576709931 1273579774 /nfs/dbraw/zinc/57/97/74/1273579774.db2.gz WQBVJOAGWMLDKI-LSDHHAIUSA-N 1 3 363.510 0.686 20 0 FCADHO C[NH+](C)Cc1ccc(C(=O)NC2(CNCc3cn[nH]n3)CCOCC2)cc1 ZINC001576750467 1273621882 /nfs/dbraw/zinc/62/18/82/1273621882.db2.gz QIBZTPYRRXKZMM-UHFFFAOYSA-N 1 3 372.473 0.935 20 0 FCADHO C[NH+](C)CCCC(=O)N1CCC2(CO[C@@H](CNCc3cn[nH]n3)C2)CC1 ZINC001576752058 1273623145 /nfs/dbraw/zinc/62/31/45/1273623145.db2.gz ONCJVWXVBWQKEH-MRXNPFEDSA-N 1 3 364.494 0.634 20 0 FCADHO C[NH+](C)CCCC(=O)N1CCC2(CO[C@@H](CNCc3c[nH]nn3)C2)CC1 ZINC001576752058 1273623150 /nfs/dbraw/zinc/62/31/50/1273623150.db2.gz ONCJVWXVBWQKEH-MRXNPFEDSA-N 1 3 364.494 0.634 20 0 FCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576785443 1273677219 /nfs/dbraw/zinc/67/72/19/1273677219.db2.gz LWJBPIXZDDUNLV-MRXNPFEDSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850001 1273801510 /nfs/dbraw/zinc/80/15/10/1273801510.db2.gz NZJPLQXRMWJPLR-ILXRZTDVSA-N 1 3 361.494 0.464 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850001 1273801515 /nfs/dbraw/zinc/80/15/15/1273801515.db2.gz NZJPLQXRMWJPLR-ILXRZTDVSA-N 1 3 361.494 0.464 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673647 1274708424 /nfs/dbraw/zinc/70/84/24/1274708424.db2.gz SYCRDRTWMOXDGM-HNNXBMFYSA-N 1 3 372.477 0.997 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673647 1274708428 /nfs/dbraw/zinc/70/84/28/1274708428.db2.gz SYCRDRTWMOXDGM-HNNXBMFYSA-N 1 3 372.477 0.997 20 0 FCADHO O=C(Nc1ccc(O)cc1)C1CCN(C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)CC1 ZINC001580767692 1278895550 /nfs/dbraw/zinc/89/55/50/1278895550.db2.gz ICFIVTYNOXQNSW-INIZCTEOSA-N 1 3 359.426 0.948 20 0 FCADHO CCN1CCN([C@@H]2CCN(c3nnc(C)n3C[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775994 1274865870 /nfs/dbraw/zinc/86/58/70/1274865870.db2.gz UWYRXHJHKRMOPS-QZTJIDSGSA-N 1 3 361.538 0.802 20 0 FCADHO CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001577865324 1275041032 /nfs/dbraw/zinc/04/10/32/1275041032.db2.gz JWXKHTNBBMMGGT-ILXRZTDVSA-N 1 3 363.510 0.758 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577872104 1275059802 /nfs/dbraw/zinc/05/98/02/1275059802.db2.gz VLSONUAGBVVEHP-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577872104 1275059805 /nfs/dbraw/zinc/05/98/05/1275059805.db2.gz VLSONUAGBVVEHP-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001577872104 1275059810 /nfs/dbraw/zinc/05/98/10/1275059810.db2.gz VLSONUAGBVVEHP-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001577872104 1275059825 /nfs/dbraw/zinc/05/98/25/1275059825.db2.gz VLSONUAGBVVEHP-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@H](C)C[NH2+]C ZINC001578315633 1275654786 /nfs/dbraw/zinc/65/47/86/1275654786.db2.gz VBFLAHHMIPHYHK-SJORKVTESA-N 1 3 363.554 0.912 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001578397760 1275772064 /nfs/dbraw/zinc/77/20/64/1275772064.db2.gz XFHKOIKWBWEPNC-HOTGVXAUSA-N 1 3 353.511 0.618 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528127 1275959986 /nfs/dbraw/zinc/95/99/86/1275959986.db2.gz DMMSFJAQQXPOMV-ZWKOTPCHSA-N 1 3 356.470 0.638 20 0 FCADHO CN1CCN(CCC(C)(C)NC(=O)c2cn3cc(C[NH3+])ccc3n2)CC1 ZINC001578533565 1275964646 /nfs/dbraw/zinc/96/46/46/1275964646.db2.gz NHYNAOALLQFYAN-UHFFFAOYSA-N 1 3 358.490 0.939 20 0 FCADHO COC(=O)C1=C(C)O[C@H](CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784196 1276265239 /nfs/dbraw/zinc/26/52/39/1276265239.db2.gz RYSUIHXIQDNEKH-VIRABCJISA-N 1 3 351.403 0.089 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578974844 1276524445 /nfs/dbraw/zinc/52/44/45/1276524445.db2.gz VFHHRWGTRBUNBC-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578974844 1276524449 /nfs/dbraw/zinc/52/44/49/1276524449.db2.gz VFHHRWGTRBUNBC-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001578976096 1276525870 /nfs/dbraw/zinc/52/58/70/1276525870.db2.gz NIFAODKDLQIHPL-INIZCTEOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001578976096 1276525878 /nfs/dbraw/zinc/52/58/78/1276525878.db2.gz NIFAODKDLQIHPL-INIZCTEOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC001578980215 1276541081 /nfs/dbraw/zinc/54/10/81/1276541081.db2.gz DCUOVEJOJPURCD-UHFFFAOYSA-N 1 3 357.462 0.947 20 0 FCADHO C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC001578980215 1276541082 /nfs/dbraw/zinc/54/10/82/1276541082.db2.gz DCUOVEJOJPURCD-UHFFFAOYSA-N 1 3 357.462 0.947 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578990483 1276563913 /nfs/dbraw/zinc/56/39/13/1276563913.db2.gz CDUHAFMBHDZUGE-SHTZXODSSA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578990483 1276563915 /nfs/dbraw/zinc/56/39/15/1276563915.db2.gz CDUHAFMBHDZUGE-SHTZXODSSA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C[NH+](C)C ZINC001578992375 1276567661 /nfs/dbraw/zinc/56/76/61/1276567661.db2.gz UFSVLKOBLSMQRQ-HZPDHXFCSA-N 1 3 357.462 0.678 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C[NH+](C)C ZINC001578992375 1276567667 /nfs/dbraw/zinc/56/76/67/1276567667.db2.gz UFSVLKOBLSMQRQ-HZPDHXFCSA-N 1 3 357.462 0.678 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC001579020678 1276599804 /nfs/dbraw/zinc/59/98/04/1276599804.db2.gz HNHOKXLFNHWHAV-JKSUJKDBSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160579 1287267710 /nfs/dbraw/zinc/26/77/10/1287267710.db2.gz PVZXKKNMCPRWEY-AIEDFZFUSA-N 1 3 360.462 0.381 20 0 FCADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160579 1287267714 /nfs/dbraw/zinc/26/77/14/1287267714.db2.gz PVZXKKNMCPRWEY-AIEDFZFUSA-N 1 3 360.462 0.381 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325467 1277146234 /nfs/dbraw/zinc/14/62/34/1277146234.db2.gz CWQBBQUNPWPODO-ZIAGYGMSSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325467 1277146238 /nfs/dbraw/zinc/14/62/38/1277146238.db2.gz CWQBBQUNPWPODO-ZIAGYGMSSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325467 1277146244 /nfs/dbraw/zinc/14/62/44/1277146244.db2.gz CWQBBQUNPWPODO-ZIAGYGMSSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325467 1277146248 /nfs/dbraw/zinc/14/62/48/1277146248.db2.gz CWQBBQUNPWPODO-ZIAGYGMSSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326483 1277149133 /nfs/dbraw/zinc/14/91/33/1277149133.db2.gz JYFQMSSUVNBOSH-HUUCEWRRSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326483 1277149137 /nfs/dbraw/zinc/14/91/37/1277149137.db2.gz JYFQMSSUVNBOSH-HUUCEWRRSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326483 1277149140 /nfs/dbraw/zinc/14/91/40/1277149140.db2.gz JYFQMSSUVNBOSH-HUUCEWRRSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326483 1277149143 /nfs/dbraw/zinc/14/91/43/1277149143.db2.gz JYFQMSSUVNBOSH-HUUCEWRRSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579326810 1277152034 /nfs/dbraw/zinc/15/20/34/1277152034.db2.gz MQPRWESWYBGUEV-KGLIPLIRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579326810 1277152035 /nfs/dbraw/zinc/15/20/35/1277152035.db2.gz MQPRWESWYBGUEV-KGLIPLIRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338325 1277181413 /nfs/dbraw/zinc/18/14/13/1277181413.db2.gz JVAPRRDCQJKDQX-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338325 1277181414 /nfs/dbraw/zinc/18/14/14/1277181414.db2.gz JVAPRRDCQJKDQX-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338325 1277181415 /nfs/dbraw/zinc/18/14/15/1277181415.db2.gz JVAPRRDCQJKDQX-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338325 1277181416 /nfs/dbraw/zinc/18/14/16/1277181416.db2.gz JVAPRRDCQJKDQX-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579339599 1277183397 /nfs/dbraw/zinc/18/33/97/1277183397.db2.gz KHNMWJXQOZHUJI-SOUVJXGZSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579339599 1277183398 /nfs/dbraw/zinc/18/33/98/1277183398.db2.gz KHNMWJXQOZHUJI-SOUVJXGZSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579339599 1277183402 /nfs/dbraw/zinc/18/34/02/1277183402.db2.gz KHNMWJXQOZHUJI-SOUVJXGZSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579339599 1277183405 /nfs/dbraw/zinc/18/34/05/1277183405.db2.gz KHNMWJXQOZHUJI-SOUVJXGZSA-N 1 3 355.446 0.555 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001579340320 1277186014 /nfs/dbraw/zinc/18/60/14/1277186014.db2.gz UGIZOXNUJADCJK-QAQDUYKDSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001579340320 1277186015 /nfs/dbraw/zinc/18/60/15/1277186015.db2.gz UGIZOXNUJADCJK-QAQDUYKDSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579347293 1277201114 /nfs/dbraw/zinc/20/11/14/1277201114.db2.gz AHODPUPLNZKFFU-BPUTZDHNSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579347293 1277201116 /nfs/dbraw/zinc/20/11/16/1277201116.db2.gz AHODPUPLNZKFFU-BPUTZDHNSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579347293 1277201119 /nfs/dbraw/zinc/20/11/19/1277201119.db2.gz AHODPUPLNZKFFU-BPUTZDHNSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579347293 1277201122 /nfs/dbraw/zinc/20/11/22/1277201122.db2.gz AHODPUPLNZKFFU-BPUTZDHNSA-N 1 3 369.473 0.945 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949101 1279154899 /nfs/dbraw/zinc/15/48/99/1279154899.db2.gz NSYPKEBKJNUZHI-KBPBESRZSA-N 1 3 372.477 0.995 20 0 FCADHO Cc1cc(NCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026028 1279259872 /nfs/dbraw/zinc/25/98/72/1279259872.db2.gz ANTXXHAKYMTKTK-MRXNPFEDSA-N 1 3 372.477 0.735 20 0 FCADHO Cc1cc(NCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026028 1279259877 /nfs/dbraw/zinc/25/98/77/1279259877.db2.gz ANTXXHAKYMTKTK-MRXNPFEDSA-N 1 3 372.477 0.735 20 0 FCADHO Cc1cc(NC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031903 1279269266 /nfs/dbraw/zinc/26/92/66/1279269266.db2.gz MQEQBUWQJHYHTA-AAEUAGOBSA-N 1 3 358.450 0.250 20 0 FCADHO Cc1cc(NC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031903 1279269274 /nfs/dbraw/zinc/26/92/74/1279269274.db2.gz MQEQBUWQJHYHTA-AAEUAGOBSA-N 1 3 358.450 0.250 20 0 FCADHO Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038165 1279274707 /nfs/dbraw/zinc/27/47/07/1279274707.db2.gz FTJHFZKVLAEBNJ-BNOWGMLFSA-N 1 3 370.461 0.393 20 0 FCADHO Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038165 1279274710 /nfs/dbraw/zinc/27/47/10/1279274710.db2.gz FTJHFZKVLAEBNJ-BNOWGMLFSA-N 1 3 370.461 0.393 20 0 FCADHO Cc1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1-c1nnn[n-]1 ZINC001581421213 1279914139 /nfs/dbraw/zinc/91/41/39/1279914139.db2.gz MLCOJUHKAYWNLM-ZIAGYGMSSA-N 1 3 372.477 0.382 20 0 FCADHO Cc1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1-c1nn[n-]n1 ZINC001581421213 1279914144 /nfs/dbraw/zinc/91/41/44/1279914144.db2.gz MLCOJUHKAYWNLM-ZIAGYGMSSA-N 1 3 372.477 0.382 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682494848 1283623920 /nfs/dbraw/zinc/62/39/20/1283623920.db2.gz DSDZEEYGHSKGRW-OWCLPIDISA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682494848 1283623936 /nfs/dbraw/zinc/62/39/36/1283623936.db2.gz DSDZEEYGHSKGRW-OWCLPIDISA-N 1 3 366.506 0.033 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1OC ZINC001683325789 1283944198 /nfs/dbraw/zinc/94/41/98/1283944198.db2.gz VYTOBORPPAWOHS-ARFHVFGLSA-N 1 3 354.495 0.012 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1OC ZINC001683325789 1283944207 /nfs/dbraw/zinc/94/42/07/1283944207.db2.gz VYTOBORPPAWOHS-ARFHVFGLSA-N 1 3 354.495 0.012 20 0 FCADHO C[NH+](C)C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2CO)C[C@H]1C[NH+](C)C ZINC001591021057 1284076888 /nfs/dbraw/zinc/07/68/88/1284076888.db2.gz AXIMMHGNMWAKCL-HZPDHXFCSA-N 1 3 359.478 0.535 20 0 FCADHO C[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001591175107 1284261237 /nfs/dbraw/zinc/26/12/37/1284261237.db2.gz GYGUSRWPQLQTHF-UHFFFAOYSA-N 1 3 361.425 0.553 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175690 1284266665 /nfs/dbraw/zinc/26/66/65/1284266665.db2.gz RNUJGYVZSFFZID-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175690 1284266675 /nfs/dbraw/zinc/26/66/75/1284266675.db2.gz RNUJGYVZSFFZID-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175690 1284266683 /nfs/dbraw/zinc/26/66/83/1284266683.db2.gz RNUJGYVZSFFZID-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175690 1284266693 /nfs/dbraw/zinc/26/66/93/1284266693.db2.gz RNUJGYVZSFFZID-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038326 1285922031 /nfs/dbraw/zinc/92/20/31/1285922031.db2.gz RYXJVJLESTZUPS-WBVHZDCISA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038326 1285922034 /nfs/dbraw/zinc/92/20/34/1285922034.db2.gz RYXJVJLESTZUPS-WBVHZDCISA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038326 1285922038 /nfs/dbraw/zinc/92/20/38/1285922038.db2.gz RYXJVJLESTZUPS-WBVHZDCISA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038326 1285922046 /nfs/dbraw/zinc/92/20/46/1285922046.db2.gz RYXJVJLESTZUPS-WBVHZDCISA-N 1 3 369.473 0.947 20 0 FCADHO C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC001604854362 1287799188 /nfs/dbraw/zinc/79/91/88/1287799188.db2.gz LXFXXOMKEDHVCY-QGZVFWFLSA-N 1 3 369.473 0.899 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243995 1287936838 /nfs/dbraw/zinc/93/68/38/1287936838.db2.gz PEAKESLSZACPNT-ARFHVFGLSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@H](C(=O)N(C)C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001732085676 1288573715 /nfs/dbraw/zinc/57/37/15/1288573715.db2.gz VNQQZZWSIZJHKM-BFYDXBDKSA-N 1 3 352.523 0.974 20 0 FCADHO C[C@H](C(=O)N(C)C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001732085676 1288573722 /nfs/dbraw/zinc/57/37/22/1288573722.db2.gz VNQQZZWSIZJHKM-BFYDXBDKSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](OC)C1 ZINC001735894574 1289004088 /nfs/dbraw/zinc/00/40/88/1289004088.db2.gz RXECTIMQPORFMH-BFYDXBDKSA-N 1 3 356.511 0.256 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](OC)C1 ZINC001735894574 1289004089 /nfs/dbraw/zinc/00/40/89/1289004089.db2.gz RXECTIMQPORFMH-BFYDXBDKSA-N 1 3 356.511 0.256 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001736232332 1289211047 /nfs/dbraw/zinc/21/10/47/1289211047.db2.gz WZDTUYUAJBRCAS-SJORKVTESA-N 1 3 364.534 0.977 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN2CCN(CCC[C@H](C)O)CC2)CC[N@@H+]1C ZINC001691933778 1289345187 /nfs/dbraw/zinc/34/51/87/1289345187.db2.gz QZOUAXOIQILFDW-GBESFXJTSA-N 1 3 368.566 0.954 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN2CCN(CCC[C@H](C)O)CC2)CC[N@H+]1C ZINC001691933778 1289345196 /nfs/dbraw/zinc/34/51/96/1289345196.db2.gz QZOUAXOIQILFDW-GBESFXJTSA-N 1 3 368.566 0.954 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](OCC)C1 ZINC001692031404 1289371788 /nfs/dbraw/zinc/37/17/88/1289371788.db2.gz AYHGELSPVMVGEF-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)CC[N@@H+]1C ZINC001692061831 1289380337 /nfs/dbraw/zinc/38/03/37/1289380337.db2.gz MDJIEWNQWKXGJP-NRSFXHEJSA-N 1 3 362.518 0.633 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)CC[N@H+]1C ZINC001692061831 1289380344 /nfs/dbraw/zinc/38/03/44/1289380344.db2.gz MDJIEWNQWKXGJP-NRSFXHEJSA-N 1 3 362.518 0.633 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001692277653 1289441561 /nfs/dbraw/zinc/44/15/61/1289441561.db2.gz NAEIJRVBZDEYSA-CVEARBPZSA-N 1 3 364.490 0.258 20 0 FCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001698998619 1289542294 /nfs/dbraw/zinc/54/22/94/1289542294.db2.gz FXUQUYQWCWFIMY-OTWHNJEPSA-N 1 3 363.502 0.729 20 0 FCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001698998619 1289542299 /nfs/dbraw/zinc/54/22/99/1289542299.db2.gz FXUQUYQWCWFIMY-OTWHNJEPSA-N 1 3 363.502 0.729 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309249 1289550015 /nfs/dbraw/zinc/55/00/15/1289550015.db2.gz XJOQUNAVFOCFAS-DRDDEIGGSA-N 1 3 370.497 0.872 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309249 1289550022 /nfs/dbraw/zinc/55/00/22/1289550022.db2.gz XJOQUNAVFOCFAS-DRDDEIGGSA-N 1 3 370.497 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCCc3nnn(C(C)(C)C)n3)CC2)CC[N@@H+]1C ZINC001699652129 1289560548 /nfs/dbraw/zinc/56/05/48/1289560548.db2.gz WFGQZNROSSGUFF-ZIAGYGMSSA-N 1 3 363.510 0.549 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCCc3nnn(C(C)(C)C)n3)CC2)CC[N@H+]1C ZINC001699652129 1289560553 /nfs/dbraw/zinc/56/05/53/1289560553.db2.gz WFGQZNROSSGUFF-ZIAGYGMSSA-N 1 3 363.510 0.549 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCN1CCNC1=O)N(C)C ZINC001689106498 1294619284 /nfs/dbraw/zinc/61/92/84/1294619284.db2.gz IRYHSMYZQNTTAB-PMPSAXMXSA-N 1 3 353.511 0.569 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336469 1294758378 /nfs/dbraw/zinc/75/83/78/1294758378.db2.gz PPPJHVIPKYUBIM-INMHGKMJSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336469 1294758389 /nfs/dbraw/zinc/75/83/89/1294758389.db2.gz PPPJHVIPKYUBIM-INMHGKMJSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C(C)(C)N3CCCC3)CC2)CC[N@@H+]1C ZINC001689603329 1294809676 /nfs/dbraw/zinc/80/96/76/1294809676.db2.gz UAGMATXNUXYNAB-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C(C)(C)N3CCCC3)CC2)CC[N@H+]1C ZINC001689603329 1294809679 /nfs/dbraw/zinc/80/96/79/1294809679.db2.gz UAGMATXNUXYNAB-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCCc1ccsc1 ZINC001690576591 1294872098 /nfs/dbraw/zinc/87/20/98/1294872098.db2.gz DSWHSJJECDMTIM-IIAWOOMASA-N 1 3 366.531 0.841 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCCc1ccsc1 ZINC001690576591 1294872100 /nfs/dbraw/zinc/87/21/00/1294872100.db2.gz DSWHSJJECDMTIM-IIAWOOMASA-N 1 3 366.531 0.841 20 0 FCADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(CN)ncn1)CCC2 ZINC001164814705 720217216 /nfs/dbraw/zinc/21/72/16/720217216.db2.gz VQTQNYOTBLXQAR-UHFFFAOYSA-N 1 3 357.462 0.743 20 0 FCADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(CN)ncn1)CCC2 ZINC001164814705 720217221 /nfs/dbraw/zinc/21/72/21/720217221.db2.gz VQTQNYOTBLXQAR-UHFFFAOYSA-N 1 3 357.462 0.743 20 0 FCADHO c1ncc(O[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164742301 720641450 /nfs/dbraw/zinc/64/14/50/720641450.db2.gz MOVQJLKBECFHLX-LSDHHAIUSA-N 1 3 353.430 0.254 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275523 837642492 /nfs/dbraw/zinc/64/24/92/837642492.db2.gz QKJLMNRXNQCYPG-KEYYUXOJSA-N 1 3 352.458 0.852 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cccn3)C2)C1 ZINC001099341600 844034035 /nfs/dbraw/zinc/03/40/35/844034035.db2.gz KLDYMUKKKLAYKF-MGPQQGTHSA-N 1 3 359.396 0.814 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cccn3)C2)C1 ZINC001099341600 844034044 /nfs/dbraw/zinc/03/40/44/844034044.db2.gz KLDYMUKKKLAYKF-MGPQQGTHSA-N 1 3 359.396 0.814 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187770 836066795 /nfs/dbraw/zinc/06/67/95/836066795.db2.gz YPPKBXRXFMZENY-RDJZCZTQSA-N 1 3 352.504 0.637 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285290 844134407 /nfs/dbraw/zinc/13/44/07/844134407.db2.gz WWCSXOOYXXMRGN-VCBZYWHSSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285290 844134408 /nfs/dbraw/zinc/13/44/08/844134408.db2.gz WWCSXOOYXXMRGN-VCBZYWHSSA-N 1 3 350.507 0.776 20 0 FCADHO Cc1csc(=O)n1CCN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351385 844155312 /nfs/dbraw/zinc/15/53/12/844155312.db2.gz FVINOUVAOKOFKK-QAPCUYQASA-N 1 3 366.531 0.950 20 0 FCADHO CCN(CC)C(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353054 844156726 /nfs/dbraw/zinc/15/67/26/844156726.db2.gz QNPNZBOZZAXGJZ-FCEWJHQRSA-N 1 3 352.523 0.975 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368962 844162972 /nfs/dbraw/zinc/16/29/72/844162972.db2.gz WLKGCZNXMIPHNE-KHYOSLBOSA-N 1 3 352.523 0.879 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368962 844162976 /nfs/dbraw/zinc/16/29/76/844162976.db2.gz WLKGCZNXMIPHNE-KHYOSLBOSA-N 1 3 352.523 0.879 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363857 844160911 /nfs/dbraw/zinc/16/09/11/844160911.db2.gz CLJWKFOHOMNLBL-SCTDSRPQSA-N 1 3 353.507 0.914 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363857 844160915 /nfs/dbraw/zinc/16/09/15/844160915.db2.gz CLJWKFOHOMNLBL-SCTDSRPQSA-N 1 3 353.507 0.914 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000751040678 836460980 /nfs/dbraw/zinc/46/09/80/836460980.db2.gz VXWJPAQTCKIJSQ-HNNXBMFYSA-N 1 3 355.552 0.487 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000751038150 836461536 /nfs/dbraw/zinc/46/15/36/836461536.db2.gz IYZHPGRUAHPHTC-JKSUJKDBSA-N 1 3 369.579 0.878 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000751038150 836461541 /nfs/dbraw/zinc/46/15/41/836461541.db2.gz IYZHPGRUAHPHTC-JKSUJKDBSA-N 1 3 369.579 0.878 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435569 844185940 /nfs/dbraw/zinc/18/59/40/844185940.db2.gz XDIQJIDIUHGGPR-MDZRGWNJSA-N 1 3 352.523 0.975 20 0 FCADHO CCN(CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621410 836701967 /nfs/dbraw/zinc/70/19/67/836701967.db2.gz VINBGUZDPZADDF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621410 836701971 /nfs/dbraw/zinc/70/19/71/836701971.db2.gz VINBGUZDPZADDF-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN(C)C3CCC3)CCC2)CC[N@@H+]1C ZINC001063224495 836759229 /nfs/dbraw/zinc/75/92/29/836759229.db2.gz PNEDFVVNVSBWCH-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN(C)C3CCC3)CCC2)CC[N@H+]1C ZINC001063224495 836759243 /nfs/dbraw/zinc/75/92/43/836759243.db2.gz PNEDFVVNVSBWCH-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002937 838207958 /nfs/dbraw/zinc/20/79/58/838207958.db2.gz MNLVBHSEVHOXCS-KZNAEPCWSA-N 1 3 351.491 0.306 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CC1 ZINC001077015382 838216186 /nfs/dbraw/zinc/21/61/86/838216186.db2.gz RUKKDACANIOJNE-TVFCKZIOSA-N 1 3 351.491 0.305 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077027794 838225928 /nfs/dbraw/zinc/22/59/28/838225928.db2.gz PRHHVTTZYFDLQW-BSDSXHPESA-N 1 3 353.507 0.695 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001077027794 838225943 /nfs/dbraw/zinc/22/59/43/838225943.db2.gz PRHHVTTZYFDLQW-BSDSXHPESA-N 1 3 353.507 0.695 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001077129225 838754887 /nfs/dbraw/zinc/75/48/87/838754887.db2.gz ZPRXWSIMNPIUAZ-KZNAEPCWSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001077129225 838754894 /nfs/dbraw/zinc/75/48/94/838754894.db2.gz ZPRXWSIMNPIUAZ-KZNAEPCWSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001077440925 838968334 /nfs/dbraw/zinc/96/83/34/838968334.db2.gz XYHAGHHJVXKEQG-KURKYZTESA-N 1 3 351.491 0.449 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001077440925 838968347 /nfs/dbraw/zinc/96/83/47/838968347.db2.gz XYHAGHHJVXKEQG-KURKYZTESA-N 1 3 351.491 0.449 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046029 844394606 /nfs/dbraw/zinc/39/46/06/844394606.db2.gz IQKNCAYJOPVMEI-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046029 844394610 /nfs/dbraw/zinc/39/46/10/844394610.db2.gz IQKNCAYJOPVMEI-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048615 844396165 /nfs/dbraw/zinc/39/61/65/844396165.db2.gz ILZUTKUSXFVXNQ-XYPHTWIQSA-N 1 3 350.507 0.537 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048615 844396175 /nfs/dbraw/zinc/39/61/75/844396175.db2.gz ILZUTKUSXFVXNQ-XYPHTWIQSA-N 1 3 350.507 0.537 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051626 844396341 /nfs/dbraw/zinc/39/63/41/844396341.db2.gz BFBCAGNOSGLYRA-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051626 844396350 /nfs/dbraw/zinc/39/63/50/844396350.db2.gz BFBCAGNOSGLYRA-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079944311 839628779 /nfs/dbraw/zinc/62/87/79/839628779.db2.gz XYJFNFJUICUWOX-GDBMZVCRSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079944311 839628783 /nfs/dbraw/zinc/62/87/83/839628783.db2.gz XYJFNFJUICUWOX-GDBMZVCRSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286914 844458530 /nfs/dbraw/zinc/45/85/30/844458530.db2.gz CVWPQZBCXRRANN-HUUCEWRRSA-N 1 3 350.507 0.633 20 0 FCADHO COCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320560 844466608 /nfs/dbraw/zinc/46/66/08/844466608.db2.gz IJKAQXDLKNCJKX-BZUAXINKSA-N 1 3 356.511 0.163 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102368318 844476289 /nfs/dbraw/zinc/47/62/89/844476289.db2.gz PNMPWGQKEFJVRS-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102368318 844476292 /nfs/dbraw/zinc/47/62/92/844476292.db2.gz PNMPWGQKEFJVRS-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894933 840091961 /nfs/dbraw/zinc/09/19/61/840091961.db2.gz KDBFGOXRYOMZFO-BRWVUGGUSA-N 1 3 351.491 0.999 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082558891 840465227 /nfs/dbraw/zinc/46/52/27/840465227.db2.gz KTMZEUZRMRMYCS-KYJSFNMBSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082557691 840465456 /nfs/dbraw/zinc/46/54/56/840465456.db2.gz ZMTVFZRCDPUNHY-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CCc1nocc1CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511324 844542196 /nfs/dbraw/zinc/54/21/96/844542196.db2.gz RVLBYBRXYRWKSB-HUUCEWRRSA-N 1 3 352.479 0.999 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082743281 840543280 /nfs/dbraw/zinc/54/32/80/840543280.db2.gz RKHDEVHWOMXOKA-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082741310 840543394 /nfs/dbraw/zinc/54/33/94/840543394.db2.gz WUGLYQHBVDTJAD-QLFBSQMISA-N 1 3 350.463 0.056 20 0 FCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082783890 840558972 /nfs/dbraw/zinc/55/89/72/840558972.db2.gz XJRCVECTAYMCBU-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082943625 840617167 /nfs/dbraw/zinc/61/71/67/840617167.db2.gz SVUSGZPNBQHQCO-OAGGEKHMSA-N 1 3 351.495 0.323 20 0 FCADHO CCN(C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578014 844571723 /nfs/dbraw/zinc/57/17/23/844571723.db2.gz HPPHEJAENVGBFT-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO CCN(C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578014 844571729 /nfs/dbraw/zinc/57/17/29/844571729.db2.gz HPPHEJAENVGBFT-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102582967 844576815 /nfs/dbraw/zinc/57/68/15/844576815.db2.gz HFNUBONSWJFPGU-ZACQAIPSSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083560165 841170571 /nfs/dbraw/zinc/17/05/71/841170571.db2.gz UDVCIDQVXAXCPI-ZACQAIPSSA-N 1 3 351.491 0.450 20 0 FCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594172 841212557 /nfs/dbraw/zinc/21/25/57/841212557.db2.gz PHCHTEPWDKYVSL-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083594172 841212567 /nfs/dbraw/zinc/21/25/67/841212567.db2.gz PHCHTEPWDKYVSL-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO CC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001275893164 861251519 /nfs/dbraw/zinc/25/15/19/861251519.db2.gz SQISZNWHSXOCRO-QZTJIDSGSA-N 1 3 350.507 0.872 20 0 FCADHO CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001275893164 861251528 /nfs/dbraw/zinc/25/15/28/861251528.db2.gz SQISZNWHSXOCRO-QZTJIDSGSA-N 1 3 350.507 0.872 20 0 FCADHO CC(=O)N1CCC(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001275893441 861251646 /nfs/dbraw/zinc/25/16/46/861251646.db2.gz YMNYYDFDMOXLIM-LJQANCHMSA-N 1 3 350.507 0.731 20 0 FCADHO CC(=O)N1CCC(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001275893441 861251655 /nfs/dbraw/zinc/25/16/55/861251655.db2.gz YMNYYDFDMOXLIM-LJQANCHMSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721237 843286509 /nfs/dbraw/zinc/28/65/09/843286509.db2.gz ISNNMFSHIYZUEV-HZPDHXFCSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092772727 843296535 /nfs/dbraw/zinc/29/65/35/843296535.db2.gz BPAFVUKFRXGVOS-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937824 843348328 /nfs/dbraw/zinc/34/83/28/843348328.db2.gz XYNGNTOCNLMQOY-IIAWOOMASA-N 1 3 350.507 0.679 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001103004899 844683461 /nfs/dbraw/zinc/68/34/61/844683461.db2.gz FBGFKGJHEGGUDH-WCXIOVBPSA-N 1 3 352.523 0.927 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103004899 844683466 /nfs/dbraw/zinc/68/34/66/844683466.db2.gz FBGFKGJHEGGUDH-WCXIOVBPSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083969 844697583 /nfs/dbraw/zinc/69/75/83/844697583.db2.gz RBYHFKUTWJZVHH-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083969 844697584 /nfs/dbraw/zinc/69/75/84/844697584.db2.gz RBYHFKUTWJZVHH-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087936 844698706 /nfs/dbraw/zinc/69/87/06/844698706.db2.gz QDIGDUZVCZMUGN-QGPMSJSTSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087936 844698708 /nfs/dbraw/zinc/69/87/08/844698708.db2.gz QDIGDUZVCZMUGN-QGPMSJSTSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088190 844698746 /nfs/dbraw/zinc/69/87/46/844698746.db2.gz XBDXJFINVVBQRH-SIIHOXLZSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088190 844698750 /nfs/dbraw/zinc/69/87/50/844698750.db2.gz XBDXJFINVVBQRH-SIIHOXLZSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438307 844758482 /nfs/dbraw/zinc/75/84/82/844758482.db2.gz AKZHNVDLHXXLCM-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438307 844758489 /nfs/dbraw/zinc/75/84/89/844758489.db2.gz AKZHNVDLHXXLCM-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C)N(C)C ZINC001103444711 844760761 /nfs/dbraw/zinc/76/07/61/844760761.db2.gz GSVONLMNAOICLR-OIISXLGYSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C)N(C)C ZINC001103444711 844760776 /nfs/dbraw/zinc/76/07/76/844760776.db2.gz GSVONLMNAOICLR-OIISXLGYSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103755340 844816702 /nfs/dbraw/zinc/81/67/02/844816702.db2.gz CTEQHUCRFGXZEX-HZPDHXFCSA-N 1 3 353.511 0.426 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103755340 844816704 /nfs/dbraw/zinc/81/67/04/844816704.db2.gz CTEQHUCRFGXZEX-HZPDHXFCSA-N 1 3 353.511 0.426 20 0 FCADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291832 844891476 /nfs/dbraw/zinc/89/14/76/844891476.db2.gz WSTKZYNFEWFINE-QGPMSJSTSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001104348626 844895854 /nfs/dbraw/zinc/89/58/54/844895854.db2.gz LNPOPCCDAAZQND-BZUAXINKSA-N 1 3 353.511 0.426 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001104348714 844897031 /nfs/dbraw/zinc/89/70/31/844897031.db2.gz QQAWZROZBPACFB-BZUAXINKSA-N 1 3 361.552 0.836 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@@H]1C(C)C ZINC001105669055 845015892 /nfs/dbraw/zinc/01/58/92/845015892.db2.gz PBTJNKCYGGAGRU-ZAWLATJESA-N 1 3 355.523 0.941 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676300 845017805 /nfs/dbraw/zinc/01/78/05/845017805.db2.gz VLVZYCJZNVJIDF-ZAWLATJESA-N 1 3 355.523 0.675 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106245536 845141872 /nfs/dbraw/zinc/14/18/72/845141872.db2.gz DEXFPSLAEICELH-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106248568 845143206 /nfs/dbraw/zinc/14/32/06/845143206.db2.gz SWHNGJVERINQKP-RBSFLKMASA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249444 845143324 /nfs/dbraw/zinc/14/33/24/845143324.db2.gz HYVKAUDICAHXAY-KYJSFNMBSA-N 1 3 352.523 0.783 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1)N(C)C ZINC001106313043 845152698 /nfs/dbraw/zinc/15/26/98/845152698.db2.gz UBEORUINBPBJRP-KBRIMQKVSA-N 1 3 350.511 0.919 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106705020 845229212 /nfs/dbraw/zinc/22/92/12/845229212.db2.gz NOULSZXKAXOAJI-ZIAGYGMSSA-N 1 3 368.503 0.461 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106784045 845251916 /nfs/dbraw/zinc/25/19/16/845251916.db2.gz AKXFNNLWNMPHGP-HLLBOEOZSA-N 1 3 352.523 0.927 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106910504 845284109 /nfs/dbraw/zinc/28/41/09/845284109.db2.gz ATVKKYFCQZHIRR-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106907757 845284183 /nfs/dbraw/zinc/28/41/83/845284183.db2.gz BHLGHIRWWQRWIG-BRWVUGGUSA-N 1 3 351.495 0.270 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040991 845316820 /nfs/dbraw/zinc/31/68/20/845316820.db2.gz WJTLJGOQTYFUDG-HZPDHXFCSA-N 1 3 356.511 0.163 20 0 FCADHO Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)n1 ZINC001107040645 845317080 /nfs/dbraw/zinc/31/70/80/845317080.db2.gz KTNCNUDOSJUBEL-RHSMWYFYSA-N 1 3 350.511 0.919 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001107042461 845318131 /nfs/dbraw/zinc/31/81/31/845318131.db2.gz NMMMHYCJBSRNSG-ARFHVFGLSA-N 1 3 361.552 0.691 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001107042476 845318353 /nfs/dbraw/zinc/31/83/53/845318353.db2.gz NVJKEZJTSDKOKH-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438881 845373994 /nfs/dbraw/zinc/37/39/94/845373994.db2.gz MAIHAFWQBKBBKM-ZHALLVOQSA-N 1 3 353.507 0.839 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438881 845374004 /nfs/dbraw/zinc/37/40/04/845374004.db2.gz MAIHAFWQBKBBKM-ZHALLVOQSA-N 1 3 353.507 0.839 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001107530603 845391918 /nfs/dbraw/zinc/39/19/18/845391918.db2.gz BPKKZURWGNSVOI-LZLYRXPVSA-N 1 3 371.547 0.734 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961195 846002467 /nfs/dbraw/zinc/00/24/67/846002467.db2.gz VTALXPKQWQWTBX-VQHPVUNQSA-N 1 3 357.495 0.074 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415352 846103445 /nfs/dbraw/zinc/10/34/45/846103445.db2.gz QFNMEZBJFCMGQL-TVFCKZIOSA-N 1 3 353.507 0.981 20 0 FCADHO CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001111658706 846167946 /nfs/dbraw/zinc/16/79/46/846167946.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001111658706 846167953 /nfs/dbraw/zinc/16/79/53/846167953.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658706 846167958 /nfs/dbraw/zinc/16/79/58/846167958.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658706 846167967 /nfs/dbraw/zinc/16/79/67/846167967.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(CC)C1=O)C2 ZINC001111952594 846274774 /nfs/dbraw/zinc/27/47/74/846274774.db2.gz QAJMLPRBDIYICN-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(CC)C1=O)C2 ZINC001111952594 846274783 /nfs/dbraw/zinc/27/47/83/846274783.db2.gz QAJMLPRBDIYICN-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1)C1CC1 ZINC001112114130 846393990 /nfs/dbraw/zinc/39/39/90/846393990.db2.gz ARBBEXWAJIDQIR-MCIONIFRSA-N 1 3 367.412 0.314 20 0 FCADHO Cn1nccc1CCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160172 846425724 /nfs/dbraw/zinc/42/57/24/846425724.db2.gz WGNTYGILDNGVSP-ZIAGYGMSSA-N 1 3 361.412 0.893 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001112166996 846430458 /nfs/dbraw/zinc/43/04/58/846430458.db2.gz CGAHMZMXMQGVHH-LPWJVIDDSA-N 1 3 355.401 0.313 20 0 FCADHO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396972 846500778 /nfs/dbraw/zinc/50/07/78/846500778.db2.gz MTLTXOKAJIXZAI-YJBOKZPZSA-N 1 3 350.507 0.777 20 0 FCADHO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396930 846500912 /nfs/dbraw/zinc/50/09/12/846500912.db2.gz KUDBIBQTYLETIR-BQFCYCMXSA-N 1 3 353.507 0.696 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C1CC1 ZINC001112399141 846501063 /nfs/dbraw/zinc/50/10/63/846501063.db2.gz FDEMBYNTWWKITH-LNLFQRSKSA-N 1 3 353.507 0.554 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112567293 846526075 /nfs/dbraw/zinc/52/60/75/846526075.db2.gz HKKGPQMZAXGENQ-KXBFYZLASA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCCS(C)(=O)=O)CCCCC2)CC[N@@H+]1C ZINC001115543568 846561369 /nfs/dbraw/zinc/56/13/69/846561369.db2.gz PUVTZJPMKUVCGE-HUUCEWRRSA-N 1 3 359.536 0.780 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCCS(C)(=O)=O)CCCCC2)CC[N@H+]1C ZINC001115543568 846561376 /nfs/dbraw/zinc/56/13/76/846561376.db2.gz PUVTZJPMKUVCGE-HUUCEWRRSA-N 1 3 359.536 0.780 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001117121906 846898859 /nfs/dbraw/zinc/89/88/59/846898859.db2.gz FNRADXBEGDAOKX-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001117121906 846898867 /nfs/dbraw/zinc/89/88/67/846898867.db2.gz FNRADXBEGDAOKX-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001118147573 847295811 /nfs/dbraw/zinc/29/58/11/847295811.db2.gz HQZMIZBONUTTOW-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(CNC[C@@H](O)COC1CCOCC1)NCC[NH+]1CCCCCC1 ZINC001120591195 848249798 /nfs/dbraw/zinc/24/97/98/848249798.db2.gz VAGQSIBHVQIBTQ-MRXNPFEDSA-N 1 3 357.495 0.125 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001121928024 848420067 /nfs/dbraw/zinc/42/00/67/848420067.db2.gz MAIVPTVUGUORRK-KZNAEPCWSA-N 1 3 352.523 0.677 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638546 848730042 /nfs/dbraw/zinc/73/00/42/848730042.db2.gz LTBZRIATKQRQBQ-YNEHKIRRSA-N 1 3 355.483 0.045 20 0 FCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638546 848730048 /nfs/dbraw/zinc/73/00/48/848730048.db2.gz LTBZRIATKQRQBQ-YNEHKIRRSA-N 1 3 355.483 0.045 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894935 848909516 /nfs/dbraw/zinc/90/95/16/848909516.db2.gz YZDXUXOCBSXNBC-KFWWJZLASA-N 1 3 350.467 0.139 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910423 848914204 /nfs/dbraw/zinc/91/42/04/848914204.db2.gz SGBAMOPJCMBZII-UPJWGTAASA-N 1 3 362.400 0.912 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129991953 848928013 /nfs/dbraw/zinc/92/80/13/848928013.db2.gz DWCCNZKVFDJRKB-CVEARBPZSA-N 1 3 350.467 0.140 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107002 848945783 /nfs/dbraw/zinc/94/57/83/848945783.db2.gz CUNQLJNNVDIRRY-CVEARBPZSA-N 1 3 352.483 0.386 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137074 848949961 /nfs/dbraw/zinc/94/99/61/848949961.db2.gz HWNPFSGANSFSGC-CVEARBPZSA-N 1 3 352.483 0.385 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130137041 848950576 /nfs/dbraw/zinc/95/05/76/848950576.db2.gz GKZMNWZTIMTRKD-CVEARBPZSA-N 1 3 350.467 0.142 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131572684 849125608 /nfs/dbraw/zinc/12/56/08/849125608.db2.gz LKBWVLIXOAOFTL-QBIMZIAESA-N 1 3 350.463 0.973 20 0 FCADHO COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131572098 849125872 /nfs/dbraw/zinc/12/58/72/849125872.db2.gz COKSLMJMUYUBBU-AEFFLSMTSA-N 1 3 350.463 0.974 20 0 FCADHO N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C1CCC(O)CC1 ZINC001157378489 849968693 /nfs/dbraw/zinc/96/86/93/849968693.db2.gz AZJCAQMWEHKIKB-CKUJCDMFSA-N 1 3 354.495 0.101 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716153 849987512 /nfs/dbraw/zinc/98/75/12/849987512.db2.gz LKRHKEMBHCBBKU-JKSUJKDBSA-N 1 3 352.504 0.531 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241054 850027285 /nfs/dbraw/zinc/02/72/85/850027285.db2.gz QJGIIQXRBAKSQN-WDEREUQCSA-N 1 3 351.369 0.942 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241026 850027319 /nfs/dbraw/zinc/02/73/19/850027319.db2.gz QBFXVPLBSPRFOI-STQMWFEESA-N 1 3 359.396 0.965 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC(F)F)C2 ZINC001158379931 850041648 /nfs/dbraw/zinc/04/16/48/850041648.db2.gz GNHRMDITLAQXRW-CKLFPEKLSA-N 1 3 373.322 0.513 20 0 FCADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001158415992 850048985 /nfs/dbraw/zinc/04/89/85/850048985.db2.gz RAKNIQRMXIGUAA-HDMKZQKVSA-N 1 3 355.479 0.616 20 0 FCADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@H]21 ZINC001159109070 850097433 /nfs/dbraw/zinc/09/74/33/850097433.db2.gz LYAGVDCUEDJGQI-FXUDXRNXSA-N 1 3 354.495 0.045 20 0 FCADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)[C@@H](N)CSCC[NH3+])O2)n1 ZINC001159519678 850120527 /nfs/dbraw/zinc/12/05/27/850120527.db2.gz MDAKCTCCJUWQOF-LOWDOPEQSA-N 1 3 355.464 0.218 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160506306 850178482 /nfs/dbraw/zinc/17/84/82/850178482.db2.gz LVUYPBGNKABFHE-HOTGVXAUSA-N 1 3 354.495 0.286 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001160552119 850180586 /nfs/dbraw/zinc/18/05/86/850180586.db2.gz JHMOUKDFPKMYGB-VIFPVBQESA-N 1 3 367.397 0.814 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648367 850187446 /nfs/dbraw/zinc/18/74/46/850187446.db2.gz BLDAJUSNJSPCBI-HPCHECBXSA-N 1 3 362.515 0.495 20 0 FCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C[C@H]2C1 ZINC001160704380 850194040 /nfs/dbraw/zinc/19/40/40/850194040.db2.gz JWQNNCDXFPEMJL-TUAOUCFPSA-N 1 3 350.385 0.183 20 0 FCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C[C@H]2C1 ZINC001160704380 850194042 /nfs/dbraw/zinc/19/40/42/850194042.db2.gz JWQNNCDXFPEMJL-TUAOUCFPSA-N 1 3 350.385 0.183 20 0 FCADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160746472 850196241 /nfs/dbraw/zinc/19/62/41/850196241.db2.gz JTIOJYSSARZIOO-GJZGRUSLSA-N 1 3 352.479 0.004 20 0 FCADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160746472 850196244 /nfs/dbraw/zinc/19/62/44/850196244.db2.gz JTIOJYSSARZIOO-GJZGRUSLSA-N 1 3 352.479 0.004 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160742933 850196309 /nfs/dbraw/zinc/19/63/09/850196309.db2.gz SNLVFPWSLKBSRR-INIZCTEOSA-N 1 3 354.495 0.332 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520409 850266847 /nfs/dbraw/zinc/26/68/47/850266847.db2.gz NAQOWQDHNAIFGW-VXGBXAGGSA-N 1 3 354.252 0.228 20 0 FCADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001161601286 850274510 /nfs/dbraw/zinc/27/45/10/850274510.db2.gz BRIDQGOPCOIYDU-ZDUSSCGKSA-N 1 3 351.451 0.498 20 0 FCADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(CCC(=O)N(C3COC3)C2)CC1 ZINC001277833349 862121502 /nfs/dbraw/zinc/12/15/02/862121502.db2.gz CIQVJSKYAKVDFN-KRWDZBQOSA-N 1 3 353.507 0.793 20 0 FCADHO CNC(=O)CN1CCO[C@H]2C[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@H]21 ZINC001171638620 850689908 /nfs/dbraw/zinc/68/99/08/850689908.db2.gz XKKDPZXVDFXDOO-CVEARBPZSA-N 1 3 352.523 0.769 20 0 FCADHO CNC(=O)CN1CCO[C@H]2C[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C[C@H]21 ZINC001171638620 850689916 /nfs/dbraw/zinc/68/99/16/850689916.db2.gz XKKDPZXVDFXDOO-CVEARBPZSA-N 1 3 352.523 0.769 20 0 FCADHO CNC(=O)CN1CCO[C@H]2CN(C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@H]21 ZINC001171638620 850689923 /nfs/dbraw/zinc/68/99/23/850689923.db2.gz XKKDPZXVDFXDOO-CVEARBPZSA-N 1 3 352.523 0.769 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)C1(C)CC[NH+](C)CC1)CC2 ZINC001181987787 851145075 /nfs/dbraw/zinc/14/50/75/851145075.db2.gz XMDBUQHSOWVDSQ-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001185254245 851347055 /nfs/dbraw/zinc/34/70/55/851347055.db2.gz ZQUOJUUWLJDREZ-JYJNAYRXSA-N 1 3 363.531 0.812 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001185254245 851347062 /nfs/dbraw/zinc/34/70/62/851347062.db2.gz ZQUOJUUWLJDREZ-JYJNAYRXSA-N 1 3 363.531 0.812 20 0 FCADHO COCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944917 851630491 /nfs/dbraw/zinc/63/04/91/851630491.db2.gz OXAMIKUIVNJSQH-RCCFBDPRSA-N 1 3 351.491 0.524 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923218 851843782 /nfs/dbraw/zinc/84/37/82/851843782.db2.gz LXGKWAJIHFSXHN-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923218 851843794 /nfs/dbraw/zinc/84/37/94/851843794.db2.gz LXGKWAJIHFSXHN-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001278395739 862313910 /nfs/dbraw/zinc/31/39/10/862313910.db2.gz DEVHJIJCXKPSOV-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738390 852479709 /nfs/dbraw/zinc/47/97/09/852479709.db2.gz SNHDXMGKFSMAPO-FGTMMUONSA-N 1 3 353.507 0.981 20 0 FCADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738390 852479712 /nfs/dbraw/zinc/47/97/12/852479712.db2.gz SNHDXMGKFSMAPO-FGTMMUONSA-N 1 3 353.507 0.981 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)[NH+](C)C ZINC001193961226 852517047 /nfs/dbraw/zinc/51/70/47/852517047.db2.gz NUJQVKYMWXWQNB-KURKYZTESA-N 1 3 355.523 0.941 20 0 FCADHO CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CC1 ZINC001196208053 852916044 /nfs/dbraw/zinc/91/60/44/852916044.db2.gz XUWFAELLRPCBEP-BRWVUGGUSA-N 1 3 355.523 0.941 20 0 FCADHO CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CC1 ZINC001196208053 852916047 /nfs/dbraw/zinc/91/60/47/852916047.db2.gz XUWFAELLRPCBEP-BRWVUGGUSA-N 1 3 355.523 0.941 20 0 FCADHO C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485852 853941025 /nfs/dbraw/zinc/94/10/25/853941025.db2.gz UJQQGZKXMCZXQF-KBAYOESNSA-N 1 3 353.507 0.960 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CCC1 ZINC001213342189 854582680 /nfs/dbraw/zinc/58/26/80/854582680.db2.gz LBFKNGSDOKHJCI-BRWVUGGUSA-N 1 3 353.507 0.959 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213730424 854740729 /nfs/dbraw/zinc/74/07/29/854740729.db2.gz OYZYGNAOOAFIQD-BRWVUGGUSA-N 1 3 357.495 0.195 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214597137 854975931 /nfs/dbraw/zinc/97/59/31/854975931.db2.gz DUMDQTLMFPSGDC-OIISXLGYSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214597137 854975937 /nfs/dbraw/zinc/97/59/37/854975937.db2.gz DUMDQTLMFPSGDC-OIISXLGYSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648719 854987209 /nfs/dbraw/zinc/98/72/09/854987209.db2.gz VBUYUIMORNQOGX-DJIMGWMZSA-N 1 3 350.507 0.537 20 0 FCADHO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847615 855022211 /nfs/dbraw/zinc/02/22/11/855022211.db2.gz LOVOEIOUZAUXSZ-IXDOHACOSA-N 1 3 355.523 0.941 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214861241 855024935 /nfs/dbraw/zinc/02/49/35/855024935.db2.gz MJZNOLKVBOVFLZ-GDBMZVCRSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214890340 855028993 /nfs/dbraw/zinc/02/89/93/855028993.db2.gz WKNCGKXQAWCAPV-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214890340 855028995 /nfs/dbraw/zinc/02/89/95/855028995.db2.gz WKNCGKXQAWCAPV-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001215000073 855049755 /nfs/dbraw/zinc/04/97/55/855049755.db2.gz WTRVVLUDDLXSBW-RBSFLKMASA-N 1 3 361.552 0.834 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224032 855083264 /nfs/dbraw/zinc/08/32/64/855083264.db2.gz FIUHBVCUQQBWIQ-QGPMSJSTSA-N 1 3 350.507 0.822 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001215413622 855112143 /nfs/dbraw/zinc/11/21/43/855112143.db2.gz JBNKGAAHSUBTPU-GDBMZVCRSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001215413391 855112269 /nfs/dbraw/zinc/11/22/69/855112269.db2.gz FCOFUGUCFFLKMQ-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001215463377 855118283 /nfs/dbraw/zinc/11/82/83/855118283.db2.gz UMUIWKBEJVGJGO-JHJVBQTASA-N 1 3 364.412 0.538 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215540305 855126512 /nfs/dbraw/zinc/12/65/12/855126512.db2.gz LGZDQHPUXQMDKA-BZUAXINKSA-N 1 3 359.536 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215540995 855126979 /nfs/dbraw/zinc/12/69/79/855126979.db2.gz UJDFWUYYKVDSTD-ZMSDIMECSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215541031 855127493 /nfs/dbraw/zinc/12/74/93/855127493.db2.gz VIEWSOOJNAEBRX-HBUWYVDXSA-N 1 3 356.486 0.724 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1)N(C)C ZINC001215571835 855128946 /nfs/dbraw/zinc/12/89/46/855128946.db2.gz XCVIMSYRSHZMOH-UTUOFQBUSA-N 1 3 352.401 0.442 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001215563489 855129013 /nfs/dbraw/zinc/12/90/13/855129013.db2.gz IQGDDQRWUZVGHS-HZSPNIEDSA-N 1 3 352.479 0.206 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001215598454 855131706 /nfs/dbraw/zinc/13/17/06/855131706.db2.gz BGFSCECRCRFNPT-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCC(=O)N(C)C ZINC001216326413 855192218 /nfs/dbraw/zinc/19/22/18/855192218.db2.gz AFPAHNZDMMKYMD-RHSMWYFYSA-N 1 3 350.507 0.633 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001216490946 855206915 /nfs/dbraw/zinc/20/69/15/855206915.db2.gz XVXFGZRBIMYFGW-HZPDHXFCSA-N 1 3 356.511 0.308 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001216490946 855206920 /nfs/dbraw/zinc/20/69/20/855206920.db2.gz XVXFGZRBIMYFGW-HZPDHXFCSA-N 1 3 356.511 0.308 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCCS(C)(=O)=O ZINC001216979820 855272812 /nfs/dbraw/zinc/27/28/12/855272812.db2.gz BLKLTAVGRGCLHF-HZPDHXFCSA-N 1 3 359.536 0.734 20 0 FCADHO COCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217915066 855382315 /nfs/dbraw/zinc/38/23/15/855382315.db2.gz IQZHABRKUOAKHR-FGTMMUONSA-N 1 3 351.491 0.666 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113660 855398240 /nfs/dbraw/zinc/39/82/40/855398240.db2.gz CLZVQPOFOSOLGH-BTDLBPIBSA-N 1 3 350.419 0.282 20 0 FCADHO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CN2CCC1CC2 ZINC001218289172 855412435 /nfs/dbraw/zinc/41/24/35/855412435.db2.gz JIZXRLLRMVQOTG-LLVKDONJSA-N 1 3 350.419 0.234 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H]3CN(C[C@H]4CCCOC4)C[C@@H]32)CC1 ZINC001218550547 855437477 /nfs/dbraw/zinc/43/74/77/855437477.db2.gz DTCFOHOKAKTFPI-IXDOHACOSA-N 1 3 351.491 0.666 20 0 FCADHO N[C@@H](C(=O)Nc1ncnn2c(Br)ccc12)C1CC[NH2+]CC1 ZINC001218568057 855441378 /nfs/dbraw/zinc/44/13/78/855441378.db2.gz YHHGNKCNESTVPG-LLVKDONJSA-N 1 3 353.224 0.179 20 0 FCADHO N[C@H](C(=O)Nc1nnc2c[nH]cc(Br)c1-2)C1CC[NH2+]CC1 ZINC001218610142 855449744 /nfs/dbraw/zinc/44/97/44/855449744.db2.gz FYUZQJFSHFFWRQ-NSHDSACASA-N 1 3 353.224 0.986 20 0 FCADHO O=C(Nc1ncnc2[nH]cc(Br)c21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218616555 855450544 /nfs/dbraw/zinc/45/05/44/855450544.db2.gz XHDILIJQIGLLJB-XLKFXECMSA-N 1 3 365.235 0.858 20 0 FCADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218893218 855491921 /nfs/dbraw/zinc/49/19/21/855491921.db2.gz ZZQRXACNNXPTDA-HNNXBMFYSA-N 1 3 354.476 0.044 20 0 FCADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001218891334 855491952 /nfs/dbraw/zinc/49/19/52/855491952.db2.gz NTLIDOPAEZQIQA-INIZCTEOSA-N 1 3 370.519 0.776 20 0 FCADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001218896903 855492796 /nfs/dbraw/zinc/49/27/96/855492796.db2.gz BZCQAPZBTMGBFY-CQSZACIVSA-N 1 3 351.472 0.638 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]21 ZINC001218971298 855505374 /nfs/dbraw/zinc/50/53/74/855505374.db2.gz XDODNJRNRMVQDZ-YESZJQIVSA-N 1 3 355.479 0.045 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(OC)cc1Cl ZINC001218984884 855506373 /nfs/dbraw/zinc/50/63/73/855506373.db2.gz ZKKMVAIRQWUHBQ-JTQLQIEISA-N 1 3 353.806 0.883 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290945 855619035 /nfs/dbraw/zinc/61/90/35/855619035.db2.gz OZASBCWHRYYUQH-QWRGUYRKSA-N 1 3 351.426 0.544 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219565805 855716381 /nfs/dbraw/zinc/71/63/81/855716381.db2.gz OIOOFIHEHJQIAG-NSHDSACASA-N 1 3 358.899 0.234 20 0 FCADHO O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cccc(Br)c1 ZINC001219577580 855720898 /nfs/dbraw/zinc/72/08/98/855720898.db2.gz FYULYNCEDCLDAJ-MLGOLLRUSA-N 1 3 366.259 0.947 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580705 855721307 /nfs/dbraw/zinc/72/13/07/855721307.db2.gz QRUAXOMXGVUCBH-MELADBBJSA-N 1 3 374.279 0.416 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219683895 855770794 /nfs/dbraw/zinc/77/07/94/855770794.db2.gz GYWZUXSHZYJDRH-QRTUWBSPSA-N 1 3 358.552 0.712 20 0 FCADHO CCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794914 855816077 /nfs/dbraw/zinc/81/60/77/855816077.db2.gz SNHDXMGKFSMAPO-SQNIBIBYSA-N 1 3 353.507 0.981 20 0 FCADHO CCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794914 855816079 /nfs/dbraw/zinc/81/60/79/855816079.db2.gz SNHDXMGKFSMAPO-SQNIBIBYSA-N 1 3 353.507 0.981 20 0 FCADHO CN[C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834485 855837278 /nfs/dbraw/zinc/83/72/78/855837278.db2.gz QLQKWWGRAAQAGF-LDDOYCOJSA-N 1 3 357.495 0.289 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001220265899 856035406 /nfs/dbraw/zinc/03/54/06/856035406.db2.gz BSXXZEMLZHMFFO-INIZCTEOSA-N 1 3 368.503 0.412 20 0 FCADHO N[C@@H](CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501689 856157046 /nfs/dbraw/zinc/15/70/46/856157046.db2.gz UDDUJHOGRXILQB-CABCVRRESA-N 1 3 351.472 0.217 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)CCNC1 ZINC001220522592 856166104 /nfs/dbraw/zinc/16/61/04/856166104.db2.gz AOOSSWFGBLAVDC-XJKSGUPXSA-N 1 3 350.463 0.130 20 0 FCADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)CSCc1ccc(OC)cc1 ZINC001220583084 856193602 /nfs/dbraw/zinc/19/36/02/856193602.db2.gz DBBSSJKDTMMUBD-HNNXBMFYSA-N 1 3 369.487 0.606 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803138 856307696 /nfs/dbraw/zinc/30/76/96/856307696.db2.gz CEHGGWXRAQXXEZ-WHOHXGKFSA-N 1 3 352.401 0.521 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930526 856379595 /nfs/dbraw/zinc/37/95/95/856379595.db2.gz QWHFFWUJJATUQT-YDHLFZDLSA-N 1 3 355.479 0.804 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037325 856432768 /nfs/dbraw/zinc/43/27/68/856432768.db2.gz QKFBOVQUWLOZGP-MKBNYLNASA-N 1 3 350.438 0.835 20 0 FCADHO COc1cccc(C2(NC(=O)[C@@H](N)CC[S@](C)=O)CC[NH2+]CC2)c1 ZINC001221095536 856461732 /nfs/dbraw/zinc/46/17/32/856461732.db2.gz AGCNDDMHCLYWKZ-OWJWWREXSA-N 1 3 353.488 0.486 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001221155097 856488121 /nfs/dbraw/zinc/48/81/21/856488121.db2.gz ZPXMHNKZOQYING-KURKYZTESA-N 1 3 353.507 0.840 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221240981 856526671 /nfs/dbraw/zinc/52/66/71/856526671.db2.gz JUHLOSXFJDILME-JUFZMCDQSA-N 1 3 362.565 0.301 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)c3ncc[nH]3)CC2)CC1 ZINC001221601367 856621830 /nfs/dbraw/zinc/62/18/30/856621830.db2.gz YKGJSRMXVNFCSQ-OAHLLOKOSA-N 1 3 350.467 0.301 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001226782446 857125757 /nfs/dbraw/zinc/12/57/57/857125757.db2.gz NCHVFAFTHPSZAX-BZUAXINKSA-N 1 3 371.547 0.922 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1CC1)C1CC1 ZINC001226800445 857126750 /nfs/dbraw/zinc/12/67/50/857126750.db2.gz KYERFHLADQWURD-NUJGCVRESA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)N(C)C ZINC001226942227 857132985 /nfs/dbraw/zinc/13/29/85/857132985.db2.gz UDTQFCVYUYXKQQ-OAGGEKHMSA-N 1 3 353.511 0.615 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001227038834 857138201 /nfs/dbraw/zinc/13/82/01/857138201.db2.gz MXWZRYCCESNBBJ-RBSFLKMASA-N 1 3 352.479 0.493 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC)N(C)C ZINC001228660267 857220786 /nfs/dbraw/zinc/22/07/86/857220786.db2.gz CIIONBPNYSNRJE-OAGGEKHMSA-N 1 3 356.511 0.496 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001229231253 857259827 /nfs/dbraw/zinc/25/98/27/857259827.db2.gz PEAPRNBKDBAJRM-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC001229230624 857260264 /nfs/dbraw/zinc/26/02/64/857260264.db2.gz JXMOUKLCIZQUEO-GVDBMIGSSA-N 1 3 359.511 0.369 20 0 FCADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(Br)c([O-])c1 ZINC001236312478 857439791 /nfs/dbraw/zinc/43/97/91/857439791.db2.gz VCYWDDTZMYHSIS-UHFFFAOYSA-N 1 3 373.295 0.771 20 0 FCADHO COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238239522 857464798 /nfs/dbraw/zinc/46/47/98/857464798.db2.gz CTZGVQWDNCBRFC-CYBMUJFWSA-N 1 3 369.487 0.856 20 0 FCADHO COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238239522 857464808 /nfs/dbraw/zinc/46/48/08/857464808.db2.gz CTZGVQWDNCBRFC-CYBMUJFWSA-N 1 3 369.487 0.856 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2nccnc2c1 ZINC001238241148 857465399 /nfs/dbraw/zinc/46/53/99/857465399.db2.gz JGMWSBQGORFJNX-CYBMUJFWSA-N 1 3 361.471 0.782 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2nccnc2c1 ZINC001238241148 857465404 /nfs/dbraw/zinc/46/54/04/857465404.db2.gz JGMWSBQGORFJNX-CYBMUJFWSA-N 1 3 361.471 0.782 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2c(c1)CCO2 ZINC001238243330 857465442 /nfs/dbraw/zinc/46/54/42/857465442.db2.gz TUUFGDQNRMGUBU-AWEZNQCLSA-N 1 3 351.472 0.774 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2c(c1)CCO2 ZINC001238243330 857465443 /nfs/dbraw/zinc/46/54/43/857465443.db2.gz TUUFGDQNRMGUBU-AWEZNQCLSA-N 1 3 351.472 0.774 20 0 FCADHO COc1ccc(OCCCS(=O)(=O)NCCC[NH2+]CCCN)cc1 ZINC001238878775 857485566 /nfs/dbraw/zinc/48/55/66/857485566.db2.gz LMXAJAZKSAGZSD-UHFFFAOYSA-N 1 3 359.492 0.712 20 0 FCADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084484 857568450 /nfs/dbraw/zinc/56/84/50/857568450.db2.gz SUBAGKBLHMDGCO-WMLDXEAASA-N 1 3 362.442 0.694 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2C1 ZINC001246720662 857593296 /nfs/dbraw/zinc/59/32/96/857593296.db2.gz LXBVRAAUZPRGAZ-FNNOIMFVSA-N 1 3 350.507 0.380 20 0 FCADHO CNC(=O)CN1CCOC[C@]2(CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246711238 857594184 /nfs/dbraw/zinc/59/41/84/857594184.db2.gz SMLZPDRQWLLRDE-SUTQANCOSA-N 1 3 350.507 0.430 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736792 857595193 /nfs/dbraw/zinc/59/51/93/857595193.db2.gz BLIFIHISFLFFCO-DZVNLGKHSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736792 857595207 /nfs/dbraw/zinc/59/52/07/857595207.db2.gz BLIFIHISFLFFCO-DZVNLGKHSA-N 1 3 351.491 0.570 20 0 FCADHO COc1cnc(-c2noc(C34CNCC3C[NH2+]C4)n2)c(Br)c1 ZINC001247852936 857617823 /nfs/dbraw/zinc/61/78/23/857617823.db2.gz YSXCYVJXXDPOGZ-UHFFFAOYSA-N 1 3 366.219 0.963 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204036 857871711 /nfs/dbraw/zinc/87/17/11/857871711.db2.gz OTCOPNNEGYARFU-IAGOWNOFSA-N 1 3 351.491 0.644 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209379 857873194 /nfs/dbraw/zinc/87/31/94/857873194.db2.gz BDUOTYRDZOPLTI-KBPBESRZSA-N 1 3 361.483 0.735 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](C[C@H](O)C(C)(C)C)CC2)C1=O ZINC001253722587 857908545 /nfs/dbraw/zinc/90/85/45/857908545.db2.gz AEJSFQAMTYVHKD-INIZCTEOSA-N 1 3 354.539 0.564 20 0 FCADHO CN1CCC[C@H]([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001254513353 857975574 /nfs/dbraw/zinc/97/55/74/857975574.db2.gz XAZGOSWBDUUNDU-INIZCTEOSA-N 1 3 352.504 0.890 20 0 FCADHO CN1CCC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001254517224 857976341 /nfs/dbraw/zinc/97/63/41/857976341.db2.gz GDTYFJFDBYXAFF-AWEZNQCLSA-N 1 3 355.508 0.275 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256075678 858052208 /nfs/dbraw/zinc/05/22/08/858052208.db2.gz AFVLWMGOIHVQRM-PKOBYXMFSA-N 1 3 351.491 0.999 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622415 858093095 /nfs/dbraw/zinc/09/30/95/858093095.db2.gz ANQGQABRKOTHKE-PVRFEJEDSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622415 858093100 /nfs/dbraw/zinc/09/31/00/858093100.db2.gz ANQGQABRKOTHKE-PVRFEJEDSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001264000035 859274970 /nfs/dbraw/zinc/27/49/70/859274970.db2.gz BTGVXPTYEUVXBS-KGLIPLIRSA-N 1 3 355.483 0.001 20 0 FCADHO CN1CCC[C@@H](N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001264650189 859414326 /nfs/dbraw/zinc/41/43/26/859414326.db2.gz IGGYMXZBBXJONL-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H](C1)O2 ZINC001269991930 859624407 /nfs/dbraw/zinc/62/44/07/859624407.db2.gz CSHZEFZATHAXOI-OAGGEKHMSA-N 1 3 353.511 0.940 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489660 859770268 /nfs/dbraw/zinc/77/02/68/859770268.db2.gz IDHCUFDNLBAODA-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489660 859770278 /nfs/dbraw/zinc/77/02/78/859770278.db2.gz IDHCUFDNLBAODA-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1)N1CCCC1 ZINC001273504608 860511821 /nfs/dbraw/zinc/51/18/21/860511821.db2.gz YEUXGRSUSOBXCX-ZACQAIPSSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1)N1CCCC1 ZINC001273504608 860511828 /nfs/dbraw/zinc/51/18/28/860511828.db2.gz YEUXGRSUSOBXCX-ZACQAIPSSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001274719945 860804068 /nfs/dbraw/zinc/80/40/68/860804068.db2.gz KXMCZEGZFXHRLP-RWMBFGLXSA-N 1 3 368.507 0.691 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCC(=O)Nc2nncs2)CC[N@H+]1C ZINC001274719945 860804075 /nfs/dbraw/zinc/80/40/75/860804075.db2.gz KXMCZEGZFXHRLP-RWMBFGLXSA-N 1 3 368.507 0.691 20 0 FCADHO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCCN(CC1CC[NH+](C)CC1)C2 ZINC001275556644 861127855 /nfs/dbraw/zinc/12/78/55/861127855.db2.gz NGUKEXAZVYGUCQ-DNVCBOLYSA-N 1 3 351.491 0.857 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914410 863133824 /nfs/dbraw/zinc/13/38/24/863133824.db2.gz QRLQLTRZKIEMIG-APWZRJJASA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)C(=O)CN1C[C@H]2C(=O)NC3(CC[NH+](CCCCF)CC3)[C@@H]2C1 ZINC001280277970 863373877 /nfs/dbraw/zinc/37/38/77/863373877.db2.gz JAHSKXBMHUTQEW-HUUCEWRRSA-N 1 3 354.470 0.337 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001281847595 863817533 /nfs/dbraw/zinc/81/75/33/863817533.db2.gz HGKPQECQHBBELO-HZPDHXFCSA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001281977775 864015766 /nfs/dbraw/zinc/01/57/66/864015766.db2.gz OWDCBLXHJBSTPT-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001281977775 864015781 /nfs/dbraw/zinc/01/57/81/864015781.db2.gz OWDCBLXHJBSTPT-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001281983702 864018885 /nfs/dbraw/zinc/01/88/85/864018885.db2.gz BJUFBSHUDIFFJQ-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO COC1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]CC1 ZINC001353107983 867348553 /nfs/dbraw/zinc/34/85/53/867348553.db2.gz CWTNOGKQNYXRMB-UHFFFAOYSA-N 1 3 352.479 0.087 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]2C1 ZINC001316754907 867453164 /nfs/dbraw/zinc/45/31/64/867453164.db2.gz APMNLTITWWOICA-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)CC[C@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879782 867684641 /nfs/dbraw/zinc/68/46/41/867684641.db2.gz OCXDVPHXMOSHOY-IZHWHUGBSA-N 1 3 352.504 0.691 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001327619559 870974810 /nfs/dbraw/zinc/97/48/10/870974810.db2.gz PXJQDCIMONKAIL-OAHLLOKOSA-N 1 3 351.495 0.452 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC001329434154 872025019 /nfs/dbraw/zinc/02/50/19/872025019.db2.gz PQAMFVKQXOJARH-WPRPVWTQSA-N 1 3 362.356 0.310 20 0 FCADHO N[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)C1CCCCC1 ZINC001332393722 873492059 /nfs/dbraw/zinc/49/20/59/873492059.db2.gz KQXXELCDSRCSIZ-HNNXBMFYSA-N 1 3 354.476 0.770 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574955853 949572264 /nfs/dbraw/zinc/57/22/64/949572264.db2.gz GAXXRULCKHOZMQ-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574955853 949572278 /nfs/dbraw/zinc/57/22/78/949572278.db2.gz GAXXRULCKHOZMQ-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574955853 949572293 /nfs/dbraw/zinc/57/22/93/949572293.db2.gz GAXXRULCKHOZMQ-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574955853 949572302 /nfs/dbraw/zinc/57/23/02/949572302.db2.gz GAXXRULCKHOZMQ-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575099588 951836611 /nfs/dbraw/zinc/83/66/11/951836611.db2.gz NLNRGDOTBUCDOB-AAEUAGOBSA-N 1 3 363.491 0.959 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575099588 951836618 /nfs/dbraw/zinc/83/66/18/951836618.db2.gz NLNRGDOTBUCDOB-AAEUAGOBSA-N 1 3 363.491 0.959 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063194 951963777 /nfs/dbraw/zinc/96/37/77/951963777.db2.gz JSYOOBJCKFHQQQ-DOTOQJQBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063194 951963787 /nfs/dbraw/zinc/96/37/87/951963787.db2.gz JSYOOBJCKFHQQQ-DOTOQJQBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063194 951963796 /nfs/dbraw/zinc/96/37/96/951963796.db2.gz JSYOOBJCKFHQQQ-DOTOQJQBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063194 951963804 /nfs/dbraw/zinc/96/38/04/951963804.db2.gz JSYOOBJCKFHQQQ-DOTOQJQBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063196 951964084 /nfs/dbraw/zinc/96/40/84/951964084.db2.gz JSYOOBJCKFHQQQ-RDJZCZTQSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063196 951964097 /nfs/dbraw/zinc/96/40/97/951964097.db2.gz JSYOOBJCKFHQQQ-RDJZCZTQSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063196 951964107 /nfs/dbraw/zinc/96/41/07/951964107.db2.gz JSYOOBJCKFHQQQ-RDJZCZTQSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063196 951964116 /nfs/dbraw/zinc/96/41/16/951964116.db2.gz JSYOOBJCKFHQQQ-RDJZCZTQSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571064351 951972269 /nfs/dbraw/zinc/97/22/69/951972269.db2.gz TVGNXHLGNMOTEF-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571064351 951972272 /nfs/dbraw/zinc/97/22/72/951972272.db2.gz TVGNXHLGNMOTEF-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571064351 951972275 /nfs/dbraw/zinc/97/22/75/951972275.db2.gz TVGNXHLGNMOTEF-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571064351 951972279 /nfs/dbraw/zinc/97/22/79/951972279.db2.gz TVGNXHLGNMOTEF-FVQBIDKESA-N 1 3 369.473 0.803 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472842 529860993 /nfs/dbraw/zinc/86/09/93/529860993.db2.gz SFUJYQUVFUXRQF-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472842 529860994 /nfs/dbraw/zinc/86/09/94/529860994.db2.gz SFUJYQUVFUXRQF-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331502402 215006264 /nfs/dbraw/zinc/00/62/64/215006264.db2.gz QZZVBPDJKZDSDB-BBWFWOEESA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331572060 215017740 /nfs/dbraw/zinc/01/77/40/215017740.db2.gz LQFOVSTVXSTWNJ-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331572060 215017743 /nfs/dbraw/zinc/01/77/43/215017743.db2.gz LQFOVSTVXSTWNJ-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331590616 215019451 /nfs/dbraw/zinc/01/94/51/215019451.db2.gz YGWYELDJCOSBNB-TWMKSMIVSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331590616 215019454 /nfs/dbraw/zinc/01/94/54/215019454.db2.gz YGWYELDJCOSBNB-TWMKSMIVSA-N 1 3 350.507 0.776 20 0 FCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331649096 215029071 /nfs/dbraw/zinc/02/90/71/215029071.db2.gz QUSDALGFYDOMRC-HOTGVXAUSA-N 1 3 351.495 0.454 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000264991055 210033569 /nfs/dbraw/zinc/03/35/69/210033569.db2.gz BPMVBDQEZSDYSI-MSOLQXFVSA-N 1 3 358.486 0.787 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000332509713 215163137 /nfs/dbraw/zinc/16/31/37/215163137.db2.gz YXDNQGHTCOLXQS-ZACQAIPSSA-N 1 3 366.506 0.284 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000332522709 215167232 /nfs/dbraw/zinc/16/72/32/215167232.db2.gz QEVLXXKUPVEADB-QGZVFWFLSA-N 1 3 366.506 0.252 20 0 FCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406869 215276504 /nfs/dbraw/zinc/27/65/04/215276504.db2.gz ZICGCLIMXDCUBJ-JKSUJKDBSA-N 1 3 359.478 0.977 20 0 FCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406869 215276506 /nfs/dbraw/zinc/27/65/06/215276506.db2.gz ZICGCLIMXDCUBJ-JKSUJKDBSA-N 1 3 359.478 0.977 20 0 FCADHO C[C@H]1CN(CC2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333774620 215319282 /nfs/dbraw/zinc/31/92/82/215319282.db2.gz CPWZSRKPCFGHEO-IRXDYDNUSA-N 1 3 367.538 0.422 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333809896 215320683 /nfs/dbraw/zinc/32/06/83/215320683.db2.gz JBJHETUIAYEXCA-HNNXBMFYSA-N 1 3 351.495 0.596 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855638 215325384 /nfs/dbraw/zinc/32/53/84/215325384.db2.gz QVWONLPGBIOODP-SJORKVTESA-N 1 3 365.522 0.842 20 0 FCADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000360573849 215364937 /nfs/dbraw/zinc/36/49/37/215364937.db2.gz ULJQZWRYNDXJFS-LSDHHAIUSA-N 1 3 353.467 0.584 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182828 213092335 /nfs/dbraw/zinc/09/23/35/213092335.db2.gz RDFACZLULVNBLZ-KBXCAEBGSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000262420015 209585503 /nfs/dbraw/zinc/58/55/03/209585503.db2.gz RQPOLDGCSNVPOQ-UHFFFAOYSA-N 1 3 369.487 0.732 20 0 FCADHO CCN(CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC1 ZINC000246431161 209388136 /nfs/dbraw/zinc/38/81/36/209388136.db2.gz MUYDZHVZYSKZOX-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CC1 ZINC000246431161 209388142 /nfs/dbraw/zinc/38/81/42/209388142.db2.gz MUYDZHVZYSKZOX-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000237402751 209351946 /nfs/dbraw/zinc/35/19/46/209351946.db2.gz LTBZINUUVOEIIM-HUUCEWRRSA-N 1 3 364.494 0.822 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000237173269 209348982 /nfs/dbraw/zinc/34/89/82/209348982.db2.gz GWZXFDVPSHMNGR-INIZCTEOSA-N 1 3 364.515 0.689 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036871 216336434 /nfs/dbraw/zinc/33/64/34/216336434.db2.gz RTXRWNMEUNHEDJ-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036871 216336436 /nfs/dbraw/zinc/33/64/36/216336436.db2.gz RTXRWNMEUNHEDJ-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)n1 ZINC000190016060 209265243 /nfs/dbraw/zinc/26/52/43/209265243.db2.gz QRAXLIAPZZRPBU-OAHLLOKOSA-N 1 3 362.478 0.470 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188748948 209238451 /nfs/dbraw/zinc/23/84/51/209238451.db2.gz JWQPIZADFOBVEI-HUUCEWRRSA-N 1 3 360.506 0.686 20 0 FCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000187980544 209221588 /nfs/dbraw/zinc/22/15/88/209221588.db2.gz YHEYXAWYGBHZRH-RBUKOAKNSA-N 1 3 360.502 0.687 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H](OC)C[NH2+]3)cc2)CC1 ZINC000187979653 209220826 /nfs/dbraw/zinc/22/08/26/209220826.db2.gz RVKHYJIGYAUTMN-RBUKOAKNSA-N 1 3 360.502 0.817 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275491518 212037018 /nfs/dbraw/zinc/03/70/18/212037018.db2.gz PPQMPDSIXYYASE-UHFFFAOYSA-N 1 3 364.490 0.814 20 0 FCADHO NCC(=O)N1CCC[C@H](C[NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC000415121650 245349128 /nfs/dbraw/zinc/34/91/28/245349128.db2.gz ZCQUQXXHZQTRBK-QGZVFWFLSA-N 1 3 352.523 0.808 20 0 FCADHO [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@H]3CN3CCCC3)cc2C1 ZINC000415119094 245350540 /nfs/dbraw/zinc/35/05/40/245350540.db2.gz YQINYUKORPQDNL-RDJZCZTQSA-N 1 3 371.485 0.923 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC2(N3CCOCC3)CCCCC2)C1 ZINC000415121648 245350679 /nfs/dbraw/zinc/35/06/79/245350679.db2.gz ZCQUQXXHZQTRBK-KRWDZBQOSA-N 1 3 352.523 0.808 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954531 245338079 /nfs/dbraw/zinc/33/80/79/245338079.db2.gz LIYQITMXISPMEB-WBMJQRKESA-N 1 3 358.442 0.706 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CN1C1CC1 ZINC000414946378 245338663 /nfs/dbraw/zinc/33/86/63/245338663.db2.gz TXEYGIQUYKHGDN-DOMZBBRYSA-N 1 3 358.442 0.849 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000415322790 245385230 /nfs/dbraw/zinc/38/52/30/245385230.db2.gz BZEFAICGNKGURT-OAHLLOKOSA-N 1 3 362.474 0.990 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415358641 245398868 /nfs/dbraw/zinc/39/88/68/245398868.db2.gz ITTOVFAPBZXAGY-UHFFFAOYSA-N 1 3 359.474 0.493 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374075967 217093205 /nfs/dbraw/zinc/09/32/05/217093205.db2.gz YMLDAMIQBHHCTF-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000375936028 217335642 /nfs/dbraw/zinc/33/56/42/217335642.db2.gz UTZSNBWHZPVXEJ-SFHVURJKSA-N 1 3 354.470 0.529 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889331 217329682 /nfs/dbraw/zinc/32/96/82/217329682.db2.gz JOQYAXVRNKVSCG-OALUTQOASA-N 1 3 365.566 0.639 20 0 FCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419153379 246018868 /nfs/dbraw/zinc/01/88/68/246018868.db2.gz PQXKIFJUUWCQBL-LSDHHAIUSA-N 1 3 364.515 0.945 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000419137067 246011269 /nfs/dbraw/zinc/01/12/69/246011269.db2.gz PXXCZPYLBHEGCG-CQSZACIVSA-N 1 3 362.474 0.487 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419150156 246017173 /nfs/dbraw/zinc/01/71/73/246017173.db2.gz LXDNZMADTWTSFQ-HXUWFJFHSA-N 1 3 374.485 0.455 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419171371 246033502 /nfs/dbraw/zinc/03/35/02/246033502.db2.gz XNYPSIVZNBFEDF-MSOLQXFVSA-N 1 3 374.485 0.247 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419175984 246035293 /nfs/dbraw/zinc/03/52/93/246035293.db2.gz YLFNHNOVGOVMSE-IKGGRYGDSA-N 1 3 368.522 0.722 20 0 FCADHO COCCNCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419180460 246039410 /nfs/dbraw/zinc/03/94/10/246039410.db2.gz JWTJSKXDIJZBDE-MRXNPFEDSA-N 1 3 354.495 0.252 20 0 FCADHO COCCNCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419180460 246039414 /nfs/dbraw/zinc/03/94/14/246039414.db2.gz JWTJSKXDIJZBDE-MRXNPFEDSA-N 1 3 354.495 0.252 20 0 FCADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000419186452 246042056 /nfs/dbraw/zinc/04/20/56/246042056.db2.gz IEBMVXSNEFNAJO-SFHVURJKSA-N 1 3 374.485 0.180 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419188382 246043432 /nfs/dbraw/zinc/04/34/32/246043432.db2.gz SNTOXTHQGNMAHT-HZPDHXFCSA-N 1 3 352.479 0.004 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419188382 246043435 /nfs/dbraw/zinc/04/34/35/246043435.db2.gz SNTOXTHQGNMAHT-HZPDHXFCSA-N 1 3 352.479 0.004 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419196151 246045422 /nfs/dbraw/zinc/04/54/22/246045422.db2.gz WPNKZCKKMZBZTK-INIZCTEOSA-N 1 3 360.502 0.781 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221875 246062217 /nfs/dbraw/zinc/06/22/17/246062217.db2.gz AWMUEZXXZWEKRR-OQIJWPOYSA-N 1 3 370.497 0.691 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000419199594 246048827 /nfs/dbraw/zinc/04/88/27/246048827.db2.gz DTDVRFORKXRVRH-WMLDXEAASA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419199604 246048982 /nfs/dbraw/zinc/04/89/82/246048982.db2.gz DTWRNWHQVMGWFS-GDBMZVCRSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000419199595 246049385 /nfs/dbraw/zinc/04/93/85/246049385.db2.gz DTDVRFORKXRVRH-YOEHRIQHSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329484 246101162 /nfs/dbraw/zinc/10/11/62/246101162.db2.gz GJYVIBDYPFAKLL-BVPBIZIASA-N 1 3 356.470 0.539 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369450 246119839 /nfs/dbraw/zinc/11/98/39/246119839.db2.gz HTQYHXAFNIRJAZ-QZTJIDSGSA-N 1 3 360.502 0.876 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000419377785 246125162 /nfs/dbraw/zinc/12/51/62/246125162.db2.gz USMQFJNQRSHYNU-UHFFFAOYSA-N 1 3 372.513 0.660 20 0 FCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419415787 246149978 /nfs/dbraw/zinc/14/99/78/246149978.db2.gz GNVATMQLMRUJFD-MSOLQXFVSA-N 1 3 358.486 0.937 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419411023 246144359 /nfs/dbraw/zinc/14/43/59/246144359.db2.gz PQCAMPIZQUBWGW-BPQIPLTHSA-N 1 3 358.486 0.788 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[C@@H](CN)C1 ZINC000419480318 246178308 /nfs/dbraw/zinc/17/83/08/246178308.db2.gz NCVZKWCGMOHIFL-GVDBMIGSSA-N 1 3 368.522 0.579 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[C@@H](CN)C1 ZINC000419480318 246178312 /nfs/dbraw/zinc/17/83/12/246178312.db2.gz NCVZKWCGMOHIFL-GVDBMIGSSA-N 1 3 368.522 0.579 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@@H](CN)C1 ZINC000419482726 246179227 /nfs/dbraw/zinc/17/92/27/246179227.db2.gz QPCKUDCALUPNLS-BRWVUGGUSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@@H](CN)C1 ZINC000419482726 246179233 /nfs/dbraw/zinc/17/92/33/246179233.db2.gz QPCKUDCALUPNLS-BRWVUGGUSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@@H](CN)C1 ZINC000419479849 246179273 /nfs/dbraw/zinc/17/92/73/246179273.db2.gz MAJLVARFLGGUAA-SJORKVTESA-N 1 3 368.522 0.579 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000419543583 246196590 /nfs/dbraw/zinc/19/65/90/246196590.db2.gz FWBFUNXZHXIBIE-HIFRSBDPSA-N 1 3 352.504 0.925 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000419652361 246231723 /nfs/dbraw/zinc/23/17/23/246231723.db2.gz DXFRZWBRIKQSBF-CQSZACIVSA-N 1 3 350.463 0.091 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@@H](CN)C1 ZINC000419717849 246268328 /nfs/dbraw/zinc/26/83/28/246268328.db2.gz VHPAKOUJRTWIMB-BZUAXINKSA-N 1 3 354.495 0.332 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419677938 246243301 /nfs/dbraw/zinc/24/33/01/246243301.db2.gz DDURTXMGVGUXPP-INIZCTEOSA-N 1 3 368.522 0.579 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)CCCC2)CC1 ZINC000419750158 246282036 /nfs/dbraw/zinc/28/20/36/246282036.db2.gz ILBXSHPLVAALFA-HNNXBMFYSA-N 1 3 366.506 0.476 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419757787 246286272 /nfs/dbraw/zinc/28/62/72/246286272.db2.gz DCZVMSZNVOINJK-QZTJIDSGSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419769097 246291128 /nfs/dbraw/zinc/29/11/28/246291128.db2.gz DACMQGRNUVCVIX-MELADBBJSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419769097 246291131 /nfs/dbraw/zinc/29/11/31/246291131.db2.gz DACMQGRNUVCVIX-MELADBBJSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000419769097 246291134 /nfs/dbraw/zinc/29/11/34/246291134.db2.gz DACMQGRNUVCVIX-MELADBBJSA-N 1 3 354.495 0.452 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846403 246318405 /nfs/dbraw/zinc/31/84/05/246318405.db2.gz RPMQZIVBTYFHAG-OAHLLOKOSA-N 1 3 368.428 0.723 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000419851304 246321717 /nfs/dbraw/zinc/32/17/17/246321717.db2.gz NWKPEUFVSWGCHJ-UHFFFAOYSA-N 1 3 354.882 0.956 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419859209 246328834 /nfs/dbraw/zinc/32/88/34/246328834.db2.gz JHDTYPSEHHBQNM-CPUCHLNUSA-N 1 3 366.506 0.188 20 0 FCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419872784 246342005 /nfs/dbraw/zinc/34/20/05/246342005.db2.gz FKGSOHFPCHWHDM-NJAFHUGGSA-N 1 3 358.486 0.976 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861139 246331236 /nfs/dbraw/zinc/33/12/36/246331236.db2.gz DQJUNGWLCKQNKM-INIZCTEOSA-N 1 3 367.538 0.025 20 0 FCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419915615 246366036 /nfs/dbraw/zinc/36/60/36/246366036.db2.gz XYPQNPFIEACXLU-ZOBUZTSGSA-N 1 3 366.506 0.202 20 0 FCADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419882993 246347243 /nfs/dbraw/zinc/34/72/43/246347243.db2.gz CXEGUTUQTATEIR-WMZOPIPTSA-N 1 3 373.501 0.763 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419884249 246350608 /nfs/dbraw/zinc/35/06/08/246350608.db2.gz FUFCAELUPWBQJY-HLLBOEOZSA-N 1 3 366.506 0.202 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419888837 246353040 /nfs/dbraw/zinc/35/30/40/246353040.db2.gz GDOCYAGXRNFXJS-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000419960555 246388266 /nfs/dbraw/zinc/38/82/66/246388266.db2.gz FHJDQVSPJULNDI-QGZVFWFLSA-N 1 3 368.522 0.315 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000419960555 246388270 /nfs/dbraw/zinc/38/82/70/246388270.db2.gz FHJDQVSPJULNDI-QGZVFWFLSA-N 1 3 368.522 0.315 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH3+])c1 ZINC000419939486 246378466 /nfs/dbraw/zinc/37/84/66/246378466.db2.gz JGIJARFVRFGEPX-CQSZACIVSA-N 1 3 350.463 0.296 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419943391 246379774 /nfs/dbraw/zinc/37/97/74/246379774.db2.gz PQHZSUOWDUJZMK-LBPRGKRZSA-N 1 3 356.417 0.566 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000420188617 246519743 /nfs/dbraw/zinc/51/97/43/246519743.db2.gz FOWCPQSNRLYKHS-CABCVRRESA-N 1 3 350.463 0.722 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423362443 247011887 /nfs/dbraw/zinc/01/18/87/247011887.db2.gz HTEVFACHOGQNNH-GJZGRUSLSA-N 1 3 350.463 0.756 20 0 FCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@H](C)O1 ZINC000423514861 247040491 /nfs/dbraw/zinc/04/04/91/247040491.db2.gz WYGMXVQZTFLRPC-GJZGRUSLSA-N 1 3 354.495 0.141 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000423596617 247069530 /nfs/dbraw/zinc/06/95/30/247069530.db2.gz SALASUGVDKERPA-SFHVURJKSA-N 1 3 373.501 0.967 20 0 FCADHO CCOC(=O)[C@H]1NCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423522842 247042480 /nfs/dbraw/zinc/04/24/80/247042480.db2.gz HSNTUEYFDLZHOD-MSOLQXFVSA-N 1 3 360.502 0.863 20 0 FCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423602162 247071318 /nfs/dbraw/zinc/07/13/18/247071318.db2.gz FHSPCORSUSDIIY-OTWHNJEPSA-N 1 3 370.497 0.917 20 0 FCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423602162 247071321 /nfs/dbraw/zinc/07/13/21/247071321.db2.gz FHSPCORSUSDIIY-OTWHNJEPSA-N 1 3 370.497 0.917 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423723032 247126845 /nfs/dbraw/zinc/12/68/45/247126845.db2.gz KYDVKBOVNKGIKR-UKPHBRMFSA-N 1 3 362.449 0.631 20 0 FCADHO CCN1CCO[C@@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424019476 247159972 /nfs/dbraw/zinc/15/99/72/247159972.db2.gz LWLZOBDMFBASLM-GOSISDBHSA-N 1 3 360.502 0.817 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424497292 247241561 /nfs/dbraw/zinc/24/15/61/247241561.db2.gz WSQYZLZNKCCCFD-GBESFXJTSA-N 1 3 370.497 0.930 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425672500 247360233 /nfs/dbraw/zinc/36/02/33/247360233.db2.gz WCPAHKKLJWQVMR-YESZJQIVSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425672500 247360237 /nfs/dbraw/zinc/36/02/37/247360237.db2.gz WCPAHKKLJWQVMR-YESZJQIVSA-N 1 3 365.522 0.665 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000271124630 211340117 /nfs/dbraw/zinc/34/01/17/211340117.db2.gz KAAHQXHSOASCMM-SFHVURJKSA-N 1 3 364.490 0.385 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000469848284 250007782 /nfs/dbraw/zinc/00/77/82/250007782.db2.gz HZXZXMGTAQHQCY-FPCVCCKLSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000469848284 250007787 /nfs/dbraw/zinc/00/77/87/250007787.db2.gz HZXZXMGTAQHQCY-FPCVCCKLSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000469848284 250007790 /nfs/dbraw/zinc/00/77/90/250007790.db2.gz HZXZXMGTAQHQCY-FPCVCCKLSA-N 1 3 356.463 0.770 20 0 FCADHO COC(=O)[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000469848284 250007796 /nfs/dbraw/zinc/00/77/96/250007796.db2.gz HZXZXMGTAQHQCY-FPCVCCKLSA-N 1 3 356.463 0.770 20 0 FCADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCOCC2 ZINC000469783019 250003907 /nfs/dbraw/zinc/00/39/07/250003907.db2.gz IQTXKOWGRWPVLY-MOPGFXCFSA-N 1 3 369.550 0.940 20 0 FCADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCOCC2 ZINC000469783020 250004110 /nfs/dbraw/zinc/00/41/10/250004110.db2.gz IQTXKOWGRWPVLY-OALUTQOASA-N 1 3 369.550 0.940 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000472172574 250136058 /nfs/dbraw/zinc/13/60/58/250136058.db2.gz OJAOKJIIYDNBTP-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO O=C([C@@H]1CN2CCN1CCC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561463 250236425 /nfs/dbraw/zinc/23/64/25/250236425.db2.gz MKDIXDITIIVJNL-ZCNNSNEGSA-N 1 3 354.498 0.967 20 0 FCADHO O=C([C@@H]1CN2CCN1CCC2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561463 250236428 /nfs/dbraw/zinc/23/64/28/250236428.db2.gz MKDIXDITIIVJNL-ZCNNSNEGSA-N 1 3 354.498 0.967 20 0 FCADHO CCN(CC)CC(=O)NC[C@H](NC(=O)CN(CC)CC)c1cnn(C)c1 ZINC000269776484 211074518 /nfs/dbraw/zinc/07/45/18/211074518.db2.gz DOIJDFPFNMGJSP-INIZCTEOSA-N 1 3 366.510 0.377 20 0 FCADHO CCN(CC)CC(=O)N[C@@H](CNC(=O)C[NH+](CC)CC)c1cnn(C)c1 ZINC000269776484 211074522 /nfs/dbraw/zinc/07/45/22/211074522.db2.gz DOIJDFPFNMGJSP-INIZCTEOSA-N 1 3 366.510 0.377 20 0 FCADHO CCN(CC)CC(=O)NC[C@H](NC(=O)C[NH+](CC)CC)c1cnn(C)c1 ZINC000269776484 211074526 /nfs/dbraw/zinc/07/45/26/211074526.db2.gz DOIJDFPFNMGJSP-INIZCTEOSA-N 1 3 366.510 0.377 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000481772689 250356526 /nfs/dbraw/zinc/35/65/26/250356526.db2.gz BNMSLEXOYDAWBR-DOTOQJQBSA-N 1 3 358.552 0.816 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539414 250340787 /nfs/dbraw/zinc/34/07/87/250340787.db2.gz JFARQSHCAXNGIQ-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539414 250340790 /nfs/dbraw/zinc/34/07/90/250340790.db2.gz JFARQSHCAXNGIQ-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000377763070 532978980 /nfs/dbraw/zinc/97/89/80/532978980.db2.gz RIRMYZAPERKAOI-QGZVFWFLSA-N 1 3 367.538 0.565 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000173921743 229211739 /nfs/dbraw/zinc/21/17/39/229211739.db2.gz KAYJPTYMTGGTGG-OAHLLOKOSA-N 1 3 352.483 0.803 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000173921743 229211744 /nfs/dbraw/zinc/21/17/44/229211744.db2.gz KAYJPTYMTGGTGG-OAHLLOKOSA-N 1 3 352.483 0.803 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000933841464 674276286 /nfs/dbraw/zinc/27/62/86/674276286.db2.gz HQZXZKSDGQKSAN-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000562800573 491189548 /nfs/dbraw/zinc/18/95/48/491189548.db2.gz GEHIDJROOQQTGP-MRXNPFEDSA-N 1 3 369.579 0.941 20 0 FCADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921610 488893205 /nfs/dbraw/zinc/89/32/05/488893205.db2.gz OTJCVRARSNBJCL-MAUKXSAKSA-N 1 3 363.506 0.940 20 0 FCADHO COCCN1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283027 488943874 /nfs/dbraw/zinc/94/38/74/488943874.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 1 3 367.538 0.517 20 0 FCADHO COCCN1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283027 488943875 /nfs/dbraw/zinc/94/38/75/488943875.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 1 3 367.538 0.517 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CCCNC(=O)C3CC3)CC2)CC1 ZINC000050798625 488114356 /nfs/dbraw/zinc/11/43/56/488114356.db2.gz UNGHAMDECGHQGZ-UHFFFAOYSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069858388 488374189 /nfs/dbraw/zinc/37/41/89/488374189.db2.gz OGFVCTAYQHEFRO-QGZVFWFLSA-N 1 3 352.523 0.631 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000073428050 488384573 /nfs/dbraw/zinc/38/45/73/488384573.db2.gz RIAAUWVSEODEHS-QGZVFWFLSA-N 1 3 374.485 0.457 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667260 488385832 /nfs/dbraw/zinc/38/58/32/488385832.db2.gz UJCVBHTUAMTGRM-ZWKOTPCHSA-N 1 3 369.554 0.765 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667260 488385833 /nfs/dbraw/zinc/38/58/33/488385833.db2.gz UJCVBHTUAMTGRM-ZWKOTPCHSA-N 1 3 369.554 0.765 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185363030 488401139 /nfs/dbraw/zinc/40/11/39/488401139.db2.gz KFQVXRIDKHAIPM-QGZVFWFLSA-N 1 3 368.570 0.338 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000185732719 488402576 /nfs/dbraw/zinc/40/25/76/488402576.db2.gz NHHCIPGTVBRCQI-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186666934 488407695 /nfs/dbraw/zinc/40/76/95/488407695.db2.gz YWUMWCCCVXWSNX-HNNXBMFYSA-N 1 3 364.494 0.764 20 0 FCADHO CC(C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)N1CCN(C)CC1 ZINC000077760803 488417337 /nfs/dbraw/zinc/41/73/37/488417337.db2.gz NETRBPCZPLLOHD-INIZCTEOSA-N 1 3 355.527 0.014 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554342756 491196806 /nfs/dbraw/zinc/19/68/06/491196806.db2.gz DHRXFXLXBOXPDW-WBVHZDCISA-N 1 3 368.522 0.591 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000554342756 491196809 /nfs/dbraw/zinc/19/68/09/491196809.db2.gz DHRXFXLXBOXPDW-WBVHZDCISA-N 1 3 368.522 0.591 20 0 FCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 ZINC000077840381 488418727 /nfs/dbraw/zinc/41/87/27/488418727.db2.gz SEQUZZNIIRHMAJ-MRXNPFEDSA-N 1 3 350.463 0.506 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269239750 488481286 /nfs/dbraw/zinc/48/12/86/488481286.db2.gz AQMKRBPQMKEUSQ-LJQANCHMSA-N 1 3 360.502 0.819 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047772 488497598 /nfs/dbraw/zinc/49/75/98/488497598.db2.gz KAQMWNAKTJDUFE-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102047772 488497601 /nfs/dbraw/zinc/49/76/01/488497601.db2.gz KAQMWNAKTJDUFE-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000103212277 488499913 /nfs/dbraw/zinc/49/99/13/488499913.db2.gz XJVXGNYIIFTNHE-UHFFFAOYSA-N 1 3 367.538 0.866 20 0 FCADHO C[C@H]1Oc2ccccc2N(CC(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000103210809 488500003 /nfs/dbraw/zinc/50/00/03/488500003.db2.gz IXCOMDRNFOPXLN-OAHLLOKOSA-N 1 3 362.474 0.752 20 0 FCADHO CCn1c2ccccc2n(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1=O ZINC000103211168 488500267 /nfs/dbraw/zinc/50/02/67/488500267.db2.gz HIMDLZAEIKWUAL-UHFFFAOYSA-N 1 3 361.490 0.775 20 0 FCADHO CN(C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922268 491203172 /nfs/dbraw/zinc/20/31/72/491203172.db2.gz FMAIJCMRMYIFDP-IRXDYDNUSA-N 1 3 356.474 0.933 20 0 FCADHO CC1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104788524 488505971 /nfs/dbraw/zinc/50/59/71/488505971.db2.gz GQQFBGPINRKKLV-INIZCTEOSA-N 1 3 353.511 0.605 20 0 FCADHO CC1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000104788524 488505972 /nfs/dbraw/zinc/50/59/72/488505972.db2.gz GQQFBGPINRKKLV-INIZCTEOSA-N 1 3 353.511 0.605 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000249118516 488506844 /nfs/dbraw/zinc/50/68/44/488506844.db2.gz OSYLIRRXZMFLOJ-DLBZAZTESA-N 1 3 369.554 0.357 20 0 FCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223169 488507745 /nfs/dbraw/zinc/50/77/45/488507745.db2.gz PSZISRSAHOLJKO-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000105223169 488507747 /nfs/dbraw/zinc/50/77/47/488507747.db2.gz PSZISRSAHOLJKO-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO COCCN(C)CCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105233565 488509037 /nfs/dbraw/zinc/50/90/37/488509037.db2.gz PKMAPBWMFYUORC-HDICACEKSA-N 1 3 369.554 0.765 20 0 FCADHO COCCN(C)CCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000105233565 488509039 /nfs/dbraw/zinc/50/90/39/488509039.db2.gz PKMAPBWMFYUORC-HDICACEKSA-N 1 3 369.554 0.765 20 0 FCADHO CC(C)(O)CN1CCN(C/C=C\CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000255669504 488522929 /nfs/dbraw/zinc/52/29/29/488522929.db2.gz XJGRLYYRSWIRDB-WAYWQWQTSA-N 1 3 368.566 0.320 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000261640858 488528468 /nfs/dbraw/zinc/52/84/68/488528468.db2.gz DMQVPNYMZZKXIM-MOPGFXCFSA-N 1 3 360.502 0.947 20 0 FCADHO Cc1cc(NC(=O)CCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261687036 488530729 /nfs/dbraw/zinc/53/07/29/488530729.db2.gz CYJRSVFWLVRKLS-LSDHHAIUSA-N 1 3 363.462 0.892 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112747711 488536499 /nfs/dbraw/zinc/53/64/99/488536499.db2.gz YQVXXNOAJQDXMC-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540378 /nfs/dbraw/zinc/54/03/78/488540378.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 1 3 356.511 0.448 20 0 FCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540379 /nfs/dbraw/zinc/54/03/79/488540379.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 1 3 356.511 0.448 20 0 FCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540381 /nfs/dbraw/zinc/54/03/81/488540381.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 1 3 356.511 0.448 20 0 FCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CCOCC1 ZINC000114397672 488540382 /nfs/dbraw/zinc/54/03/82/488540382.db2.gz QUEUHORSQQOZET-UHFFFAOYSA-N 1 3 356.511 0.448 20 0 FCADHO CN(CCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1)Cc1ccccc1 ZINC000261892538 488540658 /nfs/dbraw/zinc/54/06/58/488540658.db2.gz VQLRCFXUHXBQQU-MOPGFXCFSA-N 1 3 360.502 0.769 20 0 FCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000118880863 488554721 /nfs/dbraw/zinc/55/47/21/488554721.db2.gz HJPIHTGQUBXOLD-YYIAUSFCSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000118880863 488554723 /nfs/dbraw/zinc/55/47/23/488554723.db2.gz HJPIHTGQUBXOLD-YYIAUSFCSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)C[C@H](C)O1 ZINC000262274173 488560802 /nfs/dbraw/zinc/56/08/02/488560802.db2.gz YRGTUPPUHFRWSK-IRXDYDNUSA-N 1 3 352.523 0.630 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1=O ZINC000262598833 488580083 /nfs/dbraw/zinc/58/00/83/488580083.db2.gz WNYZKFKZTYEFNH-YLFCFFPRSA-N 1 3 350.507 0.905 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263265342 488608493 /nfs/dbraw/zinc/60/84/93/488608493.db2.gz UZJWCOOIGUPXFP-RKVPGOIHSA-N 1 3 368.522 0.434 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000563064027 491211970 /nfs/dbraw/zinc/21/19/70/491211970.db2.gz OGKTVLKSIAWSBR-MRXNPFEDSA-N 1 3 364.515 0.945 20 0 FCADHO COC[C@@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000563064041 491212127 /nfs/dbraw/zinc/21/21/27/491212127.db2.gz OTIDEGCZWOACBP-LJQANCHMSA-N 1 3 361.490 0.336 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000130589017 488638480 /nfs/dbraw/zinc/63/84/80/488638480.db2.gz ABBXVIWKZFDIDI-UHFFFAOYSA-N 1 3 372.473 0.967 20 0 FCADHO CCCc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000130574322 488638647 /nfs/dbraw/zinc/63/86/47/488638647.db2.gz LCYFVJIGLWPLGT-UHFFFAOYSA-N 1 3 352.483 0.263 20 0 FCADHO CN(C(=O)C[C@H]1CSCC[NH2+]1)C1CCN(CCn2cccn2)CC1 ZINC000134031047 488663894 /nfs/dbraw/zinc/66/38/94/488663894.db2.gz JITYLXSYQDKQRW-HNNXBMFYSA-N 1 3 351.520 0.901 20 0 FCADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000136814236 488678882 /nfs/dbraw/zinc/67/88/82/488678882.db2.gz CREOUGUWXQBFIM-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000136814332 488679339 /nfs/dbraw/zinc/67/93/39/488679339.db2.gz CREOUGUWXQBFIM-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000136835281 488679377 /nfs/dbraw/zinc/67/93/77/488679377.db2.gz PGJBLPJAFQMJMO-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)CCN(C)C(=O)Cc1ccc(CC(=O)N(C)CC[NH+](C)C)cc1 ZINC000274057186 488681403 /nfs/dbraw/zinc/68/14/03/488681403.db2.gz KKMAVGGZZCRGSD-UHFFFAOYSA-N 1 3 362.518 0.812 20 0 FCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000151976935 488712042 /nfs/dbraw/zinc/71/20/42/488712042.db2.gz AMDBESSNMZLFQY-KRWDZBQOSA-N 1 3 369.554 0.358 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c2)CC1 ZINC000274510845 488715469 /nfs/dbraw/zinc/71/54/69/488715469.db2.gz LHEDAEIIEOMXCZ-OAHLLOKOSA-N 1 3 361.490 0.833 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000153574565 488732539 /nfs/dbraw/zinc/73/25/39/488732539.db2.gz UWIWLOYLNZINDA-OAHLLOKOSA-N 1 3 362.478 0.328 20 0 FCADHO C[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)CN1CCOCC1 ZINC000156026194 488761799 /nfs/dbraw/zinc/76/17/99/488761799.db2.gz SDQLEVJFBXMHCY-MRXNPFEDSA-N 1 3 355.527 0.280 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000164917527 488810846 /nfs/dbraw/zinc/81/08/46/488810846.db2.gz KOXKWTWCXGUHGI-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000164917527 488810847 /nfs/dbraw/zinc/81/08/47/488810847.db2.gz KOXKWTWCXGUHGI-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000171181918 488820690 /nfs/dbraw/zinc/82/06/90/488820690.db2.gz HUDBYBPASNZCQS-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000364670981 488984361 /nfs/dbraw/zinc/98/43/61/488984361.db2.gz GNVBOWJEOIFGND-UXHICEINSA-N 1 3 372.513 0.649 20 0 FCADHO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000364670981 488984363 /nfs/dbraw/zinc/98/43/63/488984363.db2.gz GNVBOWJEOIFGND-UXHICEINSA-N 1 3 372.513 0.649 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](NC(C)=O)C3)CC2)CC1 ZINC000570225868 491225838 /nfs/dbraw/zinc/22/58/38/491225838.db2.gz SBBLAQVHDBMRJB-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364787385 489002408 /nfs/dbraw/zinc/00/24/08/489002408.db2.gz BWIOZTWMCGEHNE-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCCN3CCOCC3)C2)CC1 ZINC000365257920 489054620 /nfs/dbraw/zinc/05/46/20/489054620.db2.gz KPRLATAKRKZZQM-INIZCTEOSA-N 1 3 353.511 0.176 20 0 FCADHO COC(=O)[C@]1(C)CCN(CCOCC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000366032006 489136816 /nfs/dbraw/zinc/13/68/16/489136816.db2.gz ZEPYIKPYNUWBKS-QZTJIDSGSA-N 1 3 356.463 0.773 20 0 FCADHO COC(=O)[C@]1(C)CCN(CCOCC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000366032006 489136820 /nfs/dbraw/zinc/13/68/20/489136820.db2.gz ZEPYIKPYNUWBKS-QZTJIDSGSA-N 1 3 356.463 0.773 20 0 FCADHO CN(C[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)C1CC1 ZINC000555136357 491239610 /nfs/dbraw/zinc/23/96/10/491239610.db2.gz VSXXZVGAVOEGHA-IBGZPJMESA-N 1 3 360.502 0.619 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331460422 489214160 /nfs/dbraw/zinc/21/41/60/489214160.db2.gz YWTWRAIHPVUPTQ-IRXDYDNUSA-N 1 3 350.507 0.918 20 0 FCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)N(C)C1 ZINC000332801734 489232869 /nfs/dbraw/zinc/23/28/69/489232869.db2.gz YRKXNZVULCXDJU-XLAORIBOSA-N 1 3 368.522 0.725 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369484286 489244111 /nfs/dbraw/zinc/24/41/11/489244111.db2.gz XRZHPJOPEZIHHA-OAHLLOKOSA-N 1 3 362.478 0.641 20 0 FCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332971338 489252589 /nfs/dbraw/zinc/25/25/89/489252589.db2.gz DJPNHLMGJXIIKJ-NRSFXHEJSA-N 1 3 368.522 0.461 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000333896495 489263716 /nfs/dbraw/zinc/26/37/16/489263716.db2.gz ZCLOUEYZSFOARN-ULQDDVLXSA-N 1 3 365.522 0.700 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(C)CCC(=O)N3)CC2)CC1 ZINC000563407924 491242524 /nfs/dbraw/zinc/24/25/24/491242524.db2.gz PXJKTVFNBHDUBG-LJQANCHMSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1=O ZINC000369911349 489290446 /nfs/dbraw/zinc/29/04/46/489290446.db2.gz KVPJTMFWHOPPBM-TZNCUMHOSA-N 1 3 362.518 0.905 20 0 FCADHO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000570514544 491246416 /nfs/dbraw/zinc/24/64/16/491246416.db2.gz PTXMNARIWMUHMP-OAHLLOKOSA-N 1 3 357.524 0.682 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000563504671 491251864 /nfs/dbraw/zinc/25/18/64/491251864.db2.gz UNFRUYNNYQUJAN-MRXNPFEDSA-N 1 3 365.526 0.524 20 0 FCADHO C[C@H](CNC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896047 489403599 /nfs/dbraw/zinc/40/35/99/489403599.db2.gz GTSVCESKVJSVKE-SQNIBIBYSA-N 1 3 367.538 0.111 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363180393 489434271 /nfs/dbraw/zinc/43/42/71/489434271.db2.gz CPMKHRVEPKVRGI-SJORKVTESA-N 1 3 354.495 0.338 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363180393 489434273 /nfs/dbraw/zinc/43/42/73/489434273.db2.gz CPMKHRVEPKVRGI-SJORKVTESA-N 1 3 354.495 0.338 20 0 FCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617446 491258804 /nfs/dbraw/zinc/25/88/04/491258804.db2.gz DRRPTNAXOUCQED-YRXWBPOGSA-N 1 3 356.555 0.320 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000570667751 491256834 /nfs/dbraw/zinc/25/68/34/491256834.db2.gz IELHRRDHJPQNNS-GDBMZVCRSA-N 1 3 368.522 0.794 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000570667751 491256836 /nfs/dbraw/zinc/25/68/36/491256836.db2.gz IELHRRDHJPQNNS-GDBMZVCRSA-N 1 3 368.522 0.794 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423093198 489493137 /nfs/dbraw/zinc/49/31/37/489493137.db2.gz GKXOPHCPPBLMKB-UHFFFAOYSA-N 1 3 350.438 0.666 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423101931 489493677 /nfs/dbraw/zinc/49/36/77/489493677.db2.gz WOFNPZVRSAVLOM-HNNXBMFYSA-N 1 3 350.438 0.536 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423135084 489496205 /nfs/dbraw/zinc/49/62/05/489496205.db2.gz SLUUKRAGYMXIJZ-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000423164747 489498693 /nfs/dbraw/zinc/49/86/93/489498693.db2.gz AABOOPRFNZMUCW-LSDHHAIUSA-N 1 3 350.463 0.674 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)o1 ZINC000423173147 489499807 /nfs/dbraw/zinc/49/98/07/489499807.db2.gz XDUWKMPZOBETGG-HZPDHXFCSA-N 1 3 362.474 0.546 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423170437 489499818 /nfs/dbraw/zinc/49/98/18/489499818.db2.gz LWODEUJRAQPREF-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000423207182 489502902 /nfs/dbraw/zinc/50/29/02/489502902.db2.gz RJSAPJNBYFYJCD-UHFFFAOYSA-N 1 3 352.454 0.784 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423259736 489508340 /nfs/dbraw/zinc/50/83/40/489508340.db2.gz FSKLOJNMHFFPMG-UHFFFAOYSA-N 1 3 354.495 0.014 20 0 FCADHO CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H]1c1ccccc1 ZINC000563638013 491260000 /nfs/dbraw/zinc/26/00/00/491260000.db2.gz QXIFQVICXHBJTF-VVLHAWIVSA-N 1 3 357.458 0.385 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415371708 489515866 /nfs/dbraw/zinc/51/58/66/489515866.db2.gz FOFYYOPTLBRUOW-INIZCTEOSA-N 1 3 359.474 0.635 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(C)c2)C1 ZINC000415393911 489517423 /nfs/dbraw/zinc/51/74/23/489517423.db2.gz LMICRLXVBKIKSP-HNNXBMFYSA-N 1 3 362.474 0.942 20 0 FCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN[C@@H](C)C3)cc2)CC1 ZINC000415448297 489521668 /nfs/dbraw/zinc/52/16/68/489521668.db2.gz XVKOHKCRKDDWDM-INIZCTEOSA-N 1 3 373.501 0.583 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415449278 489522246 /nfs/dbraw/zinc/52/22/46/489522246.db2.gz IJAXBZBLXNTTOM-AWEZNQCLSA-N 1 3 354.426 0.804 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000415454392 489522368 /nfs/dbraw/zinc/52/23/68/489522368.db2.gz NZNKNABDVDFMCK-GOSISDBHSA-N 1 3 373.501 0.616 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415511450 489526351 /nfs/dbraw/zinc/52/63/51/489526351.db2.gz PAJZYHWVIOCHGI-CQSZACIVSA-N 1 3 364.515 0.927 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1F ZINC000415554275 489529191 /nfs/dbraw/zinc/52/91/91/489529191.db2.gz CZVVDDHKNUGVLT-UHFFFAOYSA-N 1 3 352.410 0.702 20 0 FCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415674360 489540894 /nfs/dbraw/zinc/54/08/94/489540894.db2.gz LAZUUDNYVHZSCB-WFASDCNBSA-N 1 3 366.437 0.961 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OCCN(C)C)c1 ZINC000415736846 489548839 /nfs/dbraw/zinc/54/88/39/489548839.db2.gz BWYQSGIUYTYGDL-HZPDHXFCSA-N 1 3 374.485 0.942 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(OCCN(C)C)c1 ZINC000415736847 489548874 /nfs/dbraw/zinc/54/88/74/489548874.db2.gz BWYQSGIUYTYGDL-JKSUJKDBSA-N 1 3 374.485 0.942 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000555648936 491262227 /nfs/dbraw/zinc/26/22/27/491262227.db2.gz FMTYHKHWWPWCHH-UHFFFAOYSA-N 1 3 368.522 0.594 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c2)CC1 ZINC000415832101 489556922 /nfs/dbraw/zinc/55/69/22/489556922.db2.gz QDBRAJKQUZZYLG-CRAIPNDOSA-N 1 3 373.501 0.961 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1OCCN(C)C ZINC000415876102 489562980 /nfs/dbraw/zinc/56/29/80/489562980.db2.gz ZTLKZUVPBWKUNU-HZPDHXFCSA-N 1 3 374.485 0.942 20 0 FCADHO C[C@@H](CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000454647060 489574779 /nfs/dbraw/zinc/57/47/79/489574779.db2.gz TVQLCIJTWNVYGI-KBPBESRZSA-N 1 3 358.527 0.693 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426567627 489575727 /nfs/dbraw/zinc/57/57/27/489575727.db2.gz LMOSUTNCLZHOTO-DLBZAZTESA-N 1 3 368.522 0.510 20 0 FCADHO CCN1CCCN(c2nc(OC)nc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000426880196 489585151 /nfs/dbraw/zinc/58/51/51/489585151.db2.gz ABHHQCHEXVDSPH-UHFFFAOYSA-N 1 3 363.510 0.944 20 0 FCADHO CCN1CCCN(c2nc(OC)nc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000426880196 489585152 /nfs/dbraw/zinc/58/51/52/489585152.db2.gz ABHHQCHEXVDSPH-UHFFFAOYSA-N 1 3 363.510 0.944 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417012682 489638693 /nfs/dbraw/zinc/63/86/93/489638693.db2.gz ATKHEGADKIBVES-HOTGVXAUSA-N 1 3 353.511 0.890 20 0 FCADHO C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000417027557 489639418 /nfs/dbraw/zinc/63/94/18/489639418.db2.gz ZXXZIHRLJFYTSW-OWCLPIDISA-N 1 3 353.511 0.603 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417362055 489649306 /nfs/dbraw/zinc/64/93/06/489649306.db2.gz DIXCMVRKEARCFD-DLBZAZTESA-N 1 3 360.506 0.972 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000417367402 489649805 /nfs/dbraw/zinc/64/98/05/489649805.db2.gz MHOFLMLBDGJFTL-KRWDZBQOSA-N 1 3 360.506 0.893 20 0 FCADHO [NH3+]CC[C@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C(F)F ZINC000417391300 489651214 /nfs/dbraw/zinc/65/12/14/489651214.db2.gz RKOXEJZSBIUWMY-HNNXBMFYSA-N 1 3 370.448 0.875 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417425996 489651471 /nfs/dbraw/zinc/65/14/71/489651471.db2.gz FNWNZTRKNSXSBO-TWMKSMIVSA-N 1 3 365.522 0.616 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417436224 489653472 /nfs/dbraw/zinc/65/34/72/489653472.db2.gz ZNDKBLUWZNFWHD-CRAIPNDOSA-N 1 3 353.511 0.618 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582721 489658734 /nfs/dbraw/zinc/65/87/34/489658734.db2.gz JFDFSSLUYKBHEK-KGLIPLIRSA-N 1 3 365.444 0.996 20 0 FCADHO CCN1CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000428709765 489661909 /nfs/dbraw/zinc/66/19/09/489661909.db2.gz QYAAXEZZDMAGHT-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CN1C1CC1 ZINC000417847209 489668562 /nfs/dbraw/zinc/66/85/62/489668562.db2.gz AGUDAUYCKRPGNN-FMKPAKJESA-N 1 3 351.495 0.641 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417864012 489668853 /nfs/dbraw/zinc/66/88/53/489668853.db2.gz AWQRFEUMTISDOG-BMFZPTHFSA-N 1 3 351.495 0.498 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429446083 489687819 /nfs/dbraw/zinc/68/78/19/489687819.db2.gz GMRVDUBFAGJAMK-CVEARBPZSA-N 1 3 364.556 0.545 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418309133 489691144 /nfs/dbraw/zinc/69/11/44/489691144.db2.gz VOSAWNMRLHDYRB-UHFFFAOYSA-N 1 3 351.470 0.804 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418521876 489704172 /nfs/dbraw/zinc/70/41/72/489704172.db2.gz RVRDYOIQRZWEMI-UHFFFAOYSA-N 1 3 353.511 0.572 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418637916 489714623 /nfs/dbraw/zinc/71/46/23/489714623.db2.gz KBYLBLRCRRCMSU-UHFFFAOYSA-N 1 3 351.495 0.492 20 0 FCADHO COCC1(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000418649332 489715298 /nfs/dbraw/zinc/71/52/98/489715298.db2.gz UUULQBKBMLYEDB-INIZCTEOSA-N 1 3 356.511 0.755 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1)[C@H]1CCC[NH2+]1 ZINC000570923985 491273726 /nfs/dbraw/zinc/27/37/26/491273726.db2.gz PLDLAVDFMMAABR-ZYSHUDEJSA-N 1 3 370.497 0.980 20 0 FCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000471056161 489729698 /nfs/dbraw/zinc/72/96/98/489729698.db2.gz IZNJBLNHPGASQT-LJQANCHMSA-N 1 3 362.474 0.650 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000418827140 489742514 /nfs/dbraw/zinc/74/25/14/489742514.db2.gz BWCIUYJFZJXUCJ-SQNIBIBYSA-N 1 3 358.486 0.628 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000418849810 489755673 /nfs/dbraw/zinc/75/56/73/489755673.db2.gz NIUWHSSVLWMFAK-OKZBNKHCSA-N 1 3 360.502 0.909 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853987 489758645 /nfs/dbraw/zinc/75/86/45/489758645.db2.gz SURFJYLLESOEPP-ROUUACIJSA-N 1 3 360.502 0.781 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000418855854 489759238 /nfs/dbraw/zinc/75/92/38/489759238.db2.gz VSTMPFJOUZAVIN-ZWKOTPCHSA-N 1 3 360.502 0.734 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000418855429 489759561 /nfs/dbraw/zinc/75/95/61/489759561.db2.gz DHCQIIKSGONBEP-JKSUJKDBSA-N 1 3 368.522 0.579 20 0 FCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418866579 489766269 /nfs/dbraw/zinc/76/62/69/489766269.db2.gz OBBJMPAOLSADHS-LSDHHAIUSA-N 1 3 354.495 0.108 20 0 FCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418866579 489766271 /nfs/dbraw/zinc/76/62/71/489766271.db2.gz OBBJMPAOLSADHS-LSDHHAIUSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418873652 489769027 /nfs/dbraw/zinc/76/90/27/489769027.db2.gz IICKKEGSKJTALY-SQNIBIBYSA-N 1 3 358.486 0.343 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000418881846 489773555 /nfs/dbraw/zinc/77/35/55/489773555.db2.gz RQWXKIORBNLARC-INIZCTEOSA-N 1 3 368.522 0.452 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430874898 489774654 /nfs/dbraw/zinc/77/46/54/489774654.db2.gz JACOWGALOKZFIU-QZWWFDLISA-N 1 3 350.507 0.966 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](CN)C1 ZINC000418906894 489785546 /nfs/dbraw/zinc/78/55/46/489785546.db2.gz WUYCSXLSPOCGSU-HZPDHXFCSA-N 1 3 368.522 0.722 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915240 489789818 /nfs/dbraw/zinc/78/98/18/489789818.db2.gz IBVIXCASPHWLRB-QZNHQWIBSA-N 1 3 368.522 0.842 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915239 489790358 /nfs/dbraw/zinc/79/03/58/489790358.db2.gz IBVIXCASPHWLRB-GPINWOSQSA-N 1 3 368.522 0.842 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N(C)Cc1ccccc1 ZINC000418936042 489796184 /nfs/dbraw/zinc/79/61/84/489796184.db2.gz BECSEQNJZOJAOM-NVXWUHKLSA-N 1 3 362.474 0.118 20 0 FCADHO C[C@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CN1C1CC1 ZINC000431280879 489799218 /nfs/dbraw/zinc/79/92/18/489799218.db2.gz CQMGUTGRJTYOIE-HOTGVXAUSA-N 1 3 365.522 0.903 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298273 489799744 /nfs/dbraw/zinc/79/97/44/489799744.db2.gz TVYYDTYQQSAQBA-DOTOQJQBSA-N 1 3 365.522 0.761 20 0 FCADHO CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])ccn1 ZINC000418957550 489804699 /nfs/dbraw/zinc/80/46/99/489804699.db2.gz VATLZHIYBRHNOZ-UHFFFAOYSA-N 1 3 365.478 0.082 20 0 FCADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418971108 489807974 /nfs/dbraw/zinc/80/79/74/489807974.db2.gz XHZUERDHXQEYLY-INIZCTEOSA-N 1 3 360.458 0.256 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000459997186 489812770 /nfs/dbraw/zinc/81/27/70/489812770.db2.gz SIZNQBWBISPAKX-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000459997186 489812772 /nfs/dbraw/zinc/81/27/72/489812772.db2.gz SIZNQBWBISPAKX-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000460001572 489814800 /nfs/dbraw/zinc/81/48/00/489814800.db2.gz YZUURTCLRYSDEY-SJORKVTESA-N 1 3 350.507 0.731 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419021348 489820424 /nfs/dbraw/zinc/82/04/24/489820424.db2.gz GXXSTLIRLUWJHH-QKPAOTATSA-N 1 3 354.495 0.045 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000460021179 489820571 /nfs/dbraw/zinc/82/05/71/489820571.db2.gz PYOKMEWYIDDZEX-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419023156 489821314 /nfs/dbraw/zinc/82/13/14/489821314.db2.gz JFJVFYPTBLZTRB-BQJWPVKWSA-N 1 3 352.523 0.973 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023858 489821470 /nfs/dbraw/zinc/82/14/70/489821470.db2.gz KASPDQOFQNPGTE-HZPDHXFCSA-N 1 3 368.522 0.579 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419023060 489821678 /nfs/dbraw/zinc/82/16/78/489821678.db2.gz IZFHBDGRLQBCBZ-QRJUGERDSA-N 1 3 368.522 0.698 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419023060 489821684 /nfs/dbraw/zinc/82/16/84/489821684.db2.gz IZFHBDGRLQBCBZ-QRJUGERDSA-N 1 3 368.522 0.698 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419034022 489827427 /nfs/dbraw/zinc/82/74/27/489827427.db2.gz YYECRCSKLMMUCB-BQJWPVKWSA-N 1 3 352.523 0.912 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)[C@H](C)C1 ZINC000460265761 489860623 /nfs/dbraw/zinc/86/06/23/489860623.db2.gz ZEMCFGBMSIVQEB-RYRKJORJSA-N 1 3 356.511 0.489 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)[C@H](C)C1 ZINC000460265761 489860626 /nfs/dbraw/zinc/86/06/26/489860626.db2.gz ZEMCFGBMSIVQEB-RYRKJORJSA-N 1 3 356.511 0.489 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419119972 489864126 /nfs/dbraw/zinc/86/41/26/489864126.db2.gz KRGFOBOWCCYDNU-LTIDMASMSA-N 1 3 350.507 0.953 20 0 FCADHO [NH3+]C1CCN(CCCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000433165446 489869457 /nfs/dbraw/zinc/86/94/57/489869457.db2.gz URMVMFMOGXXNRG-KRWDZBQOSA-N 1 3 352.523 0.761 20 0 FCADHO CCCNC(=O)CN1CCC(NC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433173015 489870031 /nfs/dbraw/zinc/87/00/31/489870031.db2.gz IUGWTXIGBVPJRI-UHFFFAOYSA-N 1 3 367.538 0.297 20 0 FCADHO C[C@H](CNC(=O)C1(CC(=O)NC[C@H](C)[NH+](C)C)CCOCC1)N(C)C ZINC000494244505 489876950 /nfs/dbraw/zinc/87/69/50/489876950.db2.gz JGISTKQHYIMMSE-LSDHHAIUSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@H](CNC(=O)C1(CC(=O)NC[C@H](C)N(C)C)CCOCC1)[NH+](C)C ZINC000494244505 489876955 /nfs/dbraw/zinc/87/69/55/489876955.db2.gz JGISTKQHYIMMSE-LSDHHAIUSA-N 1 3 356.511 0.306 20 0 FCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000420012522 489880983 /nfs/dbraw/zinc/88/09/83/489880983.db2.gz AYHKAXFODFJFMP-GJZGRUSLSA-N 1 3 356.511 0.793 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020280 489883373 /nfs/dbraw/zinc/88/33/73/489883373.db2.gz FBRGOAMOFKOWJA-SZMVWBNQSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020280 489883376 /nfs/dbraw/zinc/88/33/76/489883376.db2.gz FBRGOAMOFKOWJA-SZMVWBNQSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H]1CN(CCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCO1 ZINC000433449839 489884232 /nfs/dbraw/zinc/88/42/32/489884232.db2.gz JGTQKLCKQIBBGB-KRWDZBQOSA-N 1 3 370.538 0.976 20 0 FCADHO C[C@H]1CN(CCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCO1 ZINC000433449839 489884238 /nfs/dbraw/zinc/88/42/38/489884238.db2.gz JGTQKLCKQIBBGB-KRWDZBQOSA-N 1 3 370.538 0.976 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420027646 489884930 /nfs/dbraw/zinc/88/49/30/489884930.db2.gz DAXKXFSEABFWPP-GJZGRUSLSA-N 1 3 356.511 0.796 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030614 489886872 /nfs/dbraw/zinc/88/68/72/489886872.db2.gz GOMRMXPKQOEFKL-UKRRQHHQSA-N 1 3 366.462 0.399 20 0 FCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420035330 489888123 /nfs/dbraw/zinc/88/81/23/489888123.db2.gz JZONAYJMSQKREO-GJZGRUSLSA-N 1 3 356.511 0.796 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420043311 489891722 /nfs/dbraw/zinc/89/17/22/489891722.db2.gz RSAHSIMEDJIUAO-KKUMJFAQSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420043311 489891723 /nfs/dbraw/zinc/89/17/23/489891723.db2.gz RSAHSIMEDJIUAO-KKUMJFAQSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420043313 489891748 /nfs/dbraw/zinc/89/17/48/489891748.db2.gz RSAHSIMEDJIUAO-SOUVJXGZSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000420043313 489891749 /nfs/dbraw/zinc/89/17/49/489891749.db2.gz RSAHSIMEDJIUAO-SOUVJXGZSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420047124 489892368 /nfs/dbraw/zinc/89/23/68/489892368.db2.gz WBWVALRSZBQJFP-RRFJBIMHSA-N 1 3 352.479 0.302 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433608758 489893037 /nfs/dbraw/zinc/89/30/37/489893037.db2.gz LPTUGCWJQCPXEI-NVXWUHKLSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433608758 489893042 /nfs/dbraw/zinc/89/30/42/489893042.db2.gz LPTUGCWJQCPXEI-NVXWUHKLSA-N 1 3 365.522 0.890 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420051015 489894478 /nfs/dbraw/zinc/89/44/78/489894478.db2.gz ZQLYRCURYDNLJA-XHSDSOJGSA-N 1 3 366.506 0.693 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420060253 489897978 /nfs/dbraw/zinc/89/79/78/489897978.db2.gz KXEYHMSSCHLPSR-HOCLYGCPSA-N 1 3 350.463 0.804 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(CCN3CCOCC3)CC2)CC1 ZINC000377513197 489912283 /nfs/dbraw/zinc/91/22/83/489912283.db2.gz SHOCLLYCPZXYDL-GOSISDBHSA-N 1 3 366.550 0.973 20 0 FCADHO CN(CCCN(C)[C@@H]1CCCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377528480 489915227 /nfs/dbraw/zinc/91/52/27/489915227.db2.gz REWFIBCPPZQLGB-QGZVFWFLSA-N 1 3 350.511 0.731 20 0 FCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420123333 489920089 /nfs/dbraw/zinc/92/00/89/489920089.db2.gz NHVLDPBQRADXFA-MRXNPFEDSA-N 1 3 368.522 0.724 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000377576802 489924061 /nfs/dbraw/zinc/92/40/61/489924061.db2.gz GFNBHXZDOODTID-IRXDYDNUSA-N 1 3 354.495 0.650 20 0 FCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420163943 489936914 /nfs/dbraw/zinc/93/69/14/489936914.db2.gz LLHFZZBKNUQNNH-OWCLPIDISA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171944 489940077 /nfs/dbraw/zinc/94/00/77/489940077.db2.gz USENZCZYJPPIBR-JKSUJKDBSA-N 1 3 368.522 0.450 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477202000 489949982 /nfs/dbraw/zinc/94/99/82/489949982.db2.gz GWKJULNEFHJWIM-QFBILLFUSA-N 1 3 370.538 0.650 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420207296 489953002 /nfs/dbraw/zinc/95/30/02/489953002.db2.gz UGADWZSMYUSETN-BRWVUGGUSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420207296 489953006 /nfs/dbraw/zinc/95/30/06/489953006.db2.gz UGADWZSMYUSETN-BRWVUGGUSA-N 1 3 366.506 0.204 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420215127 489954647 /nfs/dbraw/zinc/95/46/47/489954647.db2.gz RWHACKOJGMQHKV-GVDBMIGSSA-N 1 3 368.522 0.308 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000556065183 491291650 /nfs/dbraw/zinc/29/16/50/491291650.db2.gz AOECBFSWWNYLBX-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1ccc2c(c1)OCO2 ZINC000420343837 489965910 /nfs/dbraw/zinc/96/59/10/489965910.db2.gz RURSZGZGCAZVFS-GASCZTMLSA-N 1 3 361.442 0.842 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000420434030 489975424 /nfs/dbraw/zinc/97/54/24/489975424.db2.gz QTNHJESCKUOBLK-OAHLLOKOSA-N 1 3 357.524 0.811 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000477617026 489977565 /nfs/dbraw/zinc/97/75/65/489977565.db2.gz QAYIUUJOLZDDAR-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000477617026 489977567 /nfs/dbraw/zinc/97/75/67/489977567.db2.gz QAYIUUJOLZDDAR-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639119 489980484 /nfs/dbraw/zinc/98/04/84/489980484.db2.gz DRRGFQZJGKTRSW-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000477639119 489980487 /nfs/dbraw/zinc/98/04/87/489980487.db2.gz DRRGFQZJGKTRSW-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000477652336 489981884 /nfs/dbraw/zinc/98/18/84/489981884.db2.gz LMJXDBSOGUXCEQ-UHFFFAOYSA-N 1 3 368.522 0.548 20 0 FCADHO CCC[NH+]1CCC(CNC(=O)C(=O)NCC2CCN(CCO)CC2)CC1 ZINC000477670092 489983403 /nfs/dbraw/zinc/98/34/03/489983403.db2.gz BCWSAUCELQMXKN-UHFFFAOYSA-N 1 3 368.522 0.045 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000436490820 490007739 /nfs/dbraw/zinc/00/77/39/490007739.db2.gz UYUOEJHPBGOZLP-UHFFFAOYSA-N 1 3 352.483 0.755 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000436490820 490007742 /nfs/dbraw/zinc/00/77/42/490007742.db2.gz UYUOEJHPBGOZLP-UHFFFAOYSA-N 1 3 352.483 0.755 20 0 FCADHO NC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202476 490074384 /nfs/dbraw/zinc/07/43/84/490074384.db2.gz QMJSEAFCDAZVRE-HOCLYGCPSA-N 1 3 350.438 0.572 20 0 FCADHO NC[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202476 490074387 /nfs/dbraw/zinc/07/43/87/490074387.db2.gz QMJSEAFCDAZVRE-HOCLYGCPSA-N 1 3 350.438 0.572 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727329 490102535 /nfs/dbraw/zinc/10/25/35/490102535.db2.gz WMARJORJUTWQJS-WMLDXEAASA-N 1 3 356.536 0.388 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727329 490102544 /nfs/dbraw/zinc/10/25/44/490102544.db2.gz WMARJORJUTWQJS-WMLDXEAASA-N 1 3 356.536 0.388 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351977 491302790 /nfs/dbraw/zinc/30/27/90/491302790.db2.gz RFLSPTHSVDTUPF-ROUUACIJSA-N 1 3 371.485 0.604 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000465919294 490153769 /nfs/dbraw/zinc/15/37/69/490153769.db2.gz AJAJVUUSTRKCDJ-SFHVURJKSA-N 1 3 369.554 0.502 20 0 FCADHO C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)CN1CCN(C)CC1 ZINC000466130776 490167921 /nfs/dbraw/zinc/16/79/21/490167921.db2.gz JBZHZGSLGLTKPC-MSOLQXFVSA-N 1 3 369.554 0.262 20 0 FCADHO CCO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@]12CCCO2 ZINC000546137278 490193974 /nfs/dbraw/zinc/19/39/74/490193974.db2.gz NNZQLCYIFARKKD-JZXOWHBKSA-N 1 3 356.511 0.848 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000521070737 490221861 /nfs/dbraw/zinc/22/18/61/490221861.db2.gz GSCOBVDBKIHRMZ-SOUVJXGZSA-N 1 3 354.495 0.452 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000498033683 490247986 /nfs/dbraw/zinc/24/79/86/490247986.db2.gz VSURCDPBZWJXRI-FGTMMUONSA-N 1 3 369.554 0.357 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000422379271 490287983 /nfs/dbraw/zinc/28/79/83/490287983.db2.gz NUCMJYAYDSDULH-SJORKVTESA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000422379271 490287986 /nfs/dbraw/zinc/28/79/86/490287986.db2.gz NUCMJYAYDSDULH-SJORKVTESA-N 1 3 368.522 0.545 20 0 FCADHO CN1CCN(Cc2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000534266575 490338945 /nfs/dbraw/zinc/33/89/45/490338945.db2.gz NEOYOJCKYXBMAY-LJQANCHMSA-N 1 3 357.502 0.762 20 0 FCADHO CN1CCN(Cc2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000534266575 490338950 /nfs/dbraw/zinc/33/89/50/490338950.db2.gz NEOYOJCKYXBMAY-LJQANCHMSA-N 1 3 357.502 0.762 20 0 FCADHO O=C(C(=O)N1CCC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000571633867 491320009 /nfs/dbraw/zinc/32/00/09/491320009.db2.gz DDRVSRSENYMSAD-ZWKOTPCHSA-N 1 3 356.470 0.541 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[NH+]1CCCC1 ZINC000448499078 490358806 /nfs/dbraw/zinc/35/88/06/490358806.db2.gz MFMKTHFOINLRBA-HNNXBMFYSA-N 1 3 364.494 0.620 20 0 FCADHO CS[C@@H]1C[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCCC1 ZINC000484626383 490449309 /nfs/dbraw/zinc/44/93/09/490449309.db2.gz ITMYNYFYULIZIQ-MDMSPXHWSA-N 1 3 357.564 0.968 20 0 FCADHO CS[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCCC1 ZINC000484626383 490449314 /nfs/dbraw/zinc/44/93/14/490449314.db2.gz ITMYNYFYULIZIQ-MDMSPXHWSA-N 1 3 357.564 0.968 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000509723795 490458594 /nfs/dbraw/zinc/45/85/94/490458594.db2.gz ZJWZSNIVLVTTIQ-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000509723795 490458597 /nfs/dbraw/zinc/45/85/97/490458597.db2.gz ZJWZSNIVLVTTIQ-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000509831472 490469584 /nfs/dbraw/zinc/46/95/84/490469584.db2.gz CBKWCCBYCJJWGL-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000509831472 490469591 /nfs/dbraw/zinc/46/95/91/490469591.db2.gz CBKWCCBYCJJWGL-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770981 490474946 /nfs/dbraw/zinc/47/49/46/490474946.db2.gz QYTRATFOQSVSFY-DOTOQJQBSA-N 1 3 353.488 0.925 20 0 FCADHO COc1nc(N2C[C@@H]3CCN(C)[C@@H]3C2)nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000450777558 490488500 /nfs/dbraw/zinc/48/85/00/490488500.db2.gz KEFLTVHYYUHRJW-BYNSBNAKSA-N 1 3 359.478 0.161 20 0 FCADHO COc1nc(N2C[C@@H]3CCN(C)[C@@H]3C2)nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000450777558 490488511 /nfs/dbraw/zinc/48/85/11/490488511.db2.gz KEFLTVHYYUHRJW-BYNSBNAKSA-N 1 3 359.478 0.161 20 0 FCADHO CN(CCO)S(=O)(=O)c1ccccc1CNC1CCC(C[NH3+])CC1 ZINC000422985561 490511738 /nfs/dbraw/zinc/51/17/38/490511738.db2.gz FGTIWEGFLDRPOZ-UHFFFAOYSA-N 1 3 355.504 0.907 20 0 FCADHO CC1[C@@H](C(=O)N2CCN3CCC2CC3)[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000451096931 490515014 /nfs/dbraw/zinc/51/50/14/490515014.db2.gz CLJNMEHOFSCYHH-QZTJIDSGSA-N 1 3 360.502 0.482 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485809056 490560044 /nfs/dbraw/zinc/56/00/44/490560044.db2.gz CBJJBXKTGUAVKE-MRXNPFEDSA-N 1 3 364.494 0.822 20 0 FCADHO CN1CCN(CCCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524817937 490563455 /nfs/dbraw/zinc/56/34/55/490563455.db2.gz DRKTWCNQMWGHBL-OAQYLSRUSA-N 1 3 374.529 0.767 20 0 FCADHO CN1CCN(CCCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524817937 490563459 /nfs/dbraw/zinc/56/34/59/490563459.db2.gz DRKTWCNQMWGHBL-OAQYLSRUSA-N 1 3 374.529 0.767 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214940 490571486 /nfs/dbraw/zinc/57/14/86/490571486.db2.gz GLRNUUWVVNMQBV-RDJZCZTQSA-N 1 3 365.522 0.879 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214940 490571490 /nfs/dbraw/zinc/57/14/90/490571490.db2.gz GLRNUUWVVNMQBV-RDJZCZTQSA-N 1 3 365.522 0.879 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000550003180 490619427 /nfs/dbraw/zinc/61/94/27/490619427.db2.gz WIPZESXVLKTWOI-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501598654 490621164 /nfs/dbraw/zinc/62/11/64/490621164.db2.gz OGRZWBOAWYWXCQ-MRXNPFEDSA-N 1 3 366.506 0.158 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501637637 490630086 /nfs/dbraw/zinc/63/00/86/490630086.db2.gz JFGINNWDLIUSEJ-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000501643390 490630151 /nfs/dbraw/zinc/63/01/51/490630151.db2.gz VWVPXAJFXTWMAS-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000501643390 490630156 /nfs/dbraw/zinc/63/01/56/490630156.db2.gz VWVPXAJFXTWMAS-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2c1cccc2F ZINC000525882418 490645296 /nfs/dbraw/zinc/64/52/96/490645296.db2.gz MBGQTVIMNNMROR-UHFFFAOYSA-N 1 3 350.438 0.667 20 0 FCADHO NS(=O)(=O)c1ccc(OCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000564989122 491344288 /nfs/dbraw/zinc/34/42/88/491344288.db2.gz RCJKPJWMIVVHQE-AWEZNQCLSA-N 1 3 369.487 0.400 20 0 FCADHO CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000572059418 491345873 /nfs/dbraw/zinc/34/58/73/491345873.db2.gz GYZSKRYNSYAAPG-JKSUJKDBSA-N 1 3 351.495 0.452 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(CC)CC ZINC000565039960 491347369 /nfs/dbraw/zinc/34/73/69/491347369.db2.gz HHPDLBNNCHSSMN-BRWVUGGUSA-N 1 3 365.522 0.854 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000527374017 490720956 /nfs/dbraw/zinc/72/09/56/490720956.db2.gz UIKBVTRZGWMJSB-UHFFFAOYSA-N 1 3 372.473 0.763 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000513927881 490754239 /nfs/dbraw/zinc/75/42/39/490754239.db2.gz NCNIIWKHLHGNNE-INIZCTEOSA-N 1 3 353.511 0.714 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000503488631 490759232 /nfs/dbraw/zinc/75/92/32/490759232.db2.gz OJVGDKMUZPUHOV-UHFFFAOYSA-N 1 3 365.522 0.810 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210875 490766071 /nfs/dbraw/zinc/76/60/71/490766071.db2.gz KQYAPGASFDZWAW-ZWKOTPCHSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210875 490766074 /nfs/dbraw/zinc/76/60/74/490766074.db2.gz KQYAPGASFDZWAW-ZWKOTPCHSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210875 490766077 /nfs/dbraw/zinc/76/60/77/490766077.db2.gz KQYAPGASFDZWAW-ZWKOTPCHSA-N 1 3 354.539 0.877 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000488689036 490771905 /nfs/dbraw/zinc/77/19/05/490771905.db2.gz POOQQPFEGIXBLM-INIZCTEOSA-N 1 3 352.523 0.772 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000514601258 490774271 /nfs/dbraw/zinc/77/42/71/490774271.db2.gz ZTUQYAXJSCLKSH-HIFRSBDPSA-N 1 3 350.467 0.407 20 0 FCADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000514798275 490789373 /nfs/dbraw/zinc/78/93/73/490789373.db2.gz ILYZSJCTTYOMMS-UBDQQSCGSA-N 1 3 371.485 0.775 20 0 FCADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000514798275 490789376 /nfs/dbraw/zinc/78/93/76/490789376.db2.gz ILYZSJCTTYOMMS-UBDQQSCGSA-N 1 3 371.485 0.775 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000572241156 491357861 /nfs/dbraw/zinc/35/78/61/491357861.db2.gz BDHDWCIZBKBWCJ-UHFFFAOYSA-N 1 3 352.523 0.977 20 0 FCADHO CC[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000515381345 490822859 /nfs/dbraw/zinc/82/28/59/490822859.db2.gz IFKKEPPTHFKQQI-MSOLQXFVSA-N 1 3 358.486 0.808 20 0 FCADHO C[C@H](CNC(=O)CSCC(=O)NC[C@@H](C)[NH+]1CCCC1)N1CCCC1 ZINC000540474474 490824530 /nfs/dbraw/zinc/82/45/30/490824530.db2.gz VTKKXQNOKGELBB-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000515836980 490839892 /nfs/dbraw/zinc/83/98/92/490839892.db2.gz KUEWMLYXTLPITI-YJBOKZPZSA-N 1 3 362.518 0.968 20 0 FCADHO CC[NH+]1CCN(CCC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000529915085 490881842 /nfs/dbraw/zinc/88/18/42/490881842.db2.gz YBCWZKHDPBGHPG-UHFFFAOYSA-N 1 3 352.523 0.727 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000516912885 490884448 /nfs/dbraw/zinc/88/44/48/490884448.db2.gz OHESRGGMHWVKDP-QGZVFWFLSA-N 1 3 369.554 0.271 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000516912885 490884450 /nfs/dbraw/zinc/88/44/50/490884450.db2.gz OHESRGGMHWVKDP-QGZVFWFLSA-N 1 3 369.554 0.271 20 0 FCADHO CNC(=O)NC1CCN(CCCC[NH+]2CCC(NC(=O)NC)CC2)CC1 ZINC000516924645 490885341 /nfs/dbraw/zinc/88/53/41/490885341.db2.gz UYENQSGZPFABKD-UHFFFAOYSA-N 1 3 368.526 0.553 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517019581 490891198 /nfs/dbraw/zinc/89/11/98/490891198.db2.gz QRLKQDVMMGZDFE-MRXNPFEDSA-N 1 3 365.522 0.714 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000530641699 490917119 /nfs/dbraw/zinc/91/71/19/490917119.db2.gz BQIGFWHHFAPIAR-UHFFFAOYSA-N 1 3 356.492 0.041 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C(N)=O)nc3)CC2)CC1 ZINC000530767850 490923329 /nfs/dbraw/zinc/92/33/29/490923329.db2.gz PRXWMFWDLASDLT-UHFFFAOYSA-N 1 3 374.489 0.538 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000517998528 490927658 /nfs/dbraw/zinc/92/76/58/490927658.db2.gz YGNHREFEOARGIE-IXDOHACOSA-N 1 3 366.506 0.081 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000530881326 490929894 /nfs/dbraw/zinc/92/98/94/490929894.db2.gz RIAAUWVSEODEHS-KRWDZBQOSA-N 1 3 374.485 0.457 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000518246580 490934803 /nfs/dbraw/zinc/93/48/03/490934803.db2.gz ODGNMPKMFGXDPQ-QGZVFWFLSA-N 1 3 370.538 0.650 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000518246580 490934806 /nfs/dbraw/zinc/93/48/06/490934806.db2.gz ODGNMPKMFGXDPQ-QGZVFWFLSA-N 1 3 370.538 0.650 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000518290452 490936215 /nfs/dbraw/zinc/93/62/15/490936215.db2.gz JEIMQLNSVGDBHG-UHFFFAOYSA-N 1 3 353.511 0.714 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1=O ZINC000518540315 490944583 /nfs/dbraw/zinc/94/45/83/490944583.db2.gz GQDNUZSASSXGPL-SOLBZPMBSA-N 1 3 366.506 0.141 20 0 FCADHO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]3CNCCO3)cc2)CC1 ZINC000519531474 490974412 /nfs/dbraw/zinc/97/44/12/490974412.db2.gz HWKISODSXVQWNK-GOSISDBHSA-N 1 3 362.474 0.947 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000519691283 490984171 /nfs/dbraw/zinc/98/41/71/490984171.db2.gz RWLPSFPXOGRLIR-BZPMIXESSA-N 1 3 363.428 0.747 20 0 FCADHO CN(C)C1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000569695184 491182532 /nfs/dbraw/zinc/18/25/32/491182532.db2.gz JWTDGTHROVHMQM-IBGZPJMESA-N 1 3 371.529 0.775 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000572509525 491375380 /nfs/dbraw/zinc/37/53/80/491375380.db2.gz NUDCGWQSQCBYRP-HZPDHXFCSA-N 1 3 356.511 0.402 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000572509525 491375383 /nfs/dbraw/zinc/37/53/83/491375383.db2.gz NUDCGWQSQCBYRP-HZPDHXFCSA-N 1 3 356.511 0.402 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000572605962 491380822 /nfs/dbraw/zinc/38/08/22/491380822.db2.gz USQGCLYWXVKSNJ-HNNXBMFYSA-N 1 3 358.552 0.538 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565200 491383646 /nfs/dbraw/zinc/38/36/46/491383646.db2.gz XEOQMTIENWIZDC-GOEBONIOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565200 491383647 /nfs/dbraw/zinc/38/36/47/491383647.db2.gz XEOQMTIENWIZDC-GOEBONIOSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000565615494 491389618 /nfs/dbraw/zinc/38/96/18/491389618.db2.gz FYHYJVCXVBQQDN-HOTGVXAUSA-N 1 3 356.511 0.450 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000565615494 491389620 /nfs/dbraw/zinc/38/96/20/491389620.db2.gz FYHYJVCXVBQQDN-HOTGVXAUSA-N 1 3 356.511 0.450 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000572802335 491394512 /nfs/dbraw/zinc/39/45/12/491394512.db2.gz GQVXIESDQJXBMY-UHFFFAOYSA-N 1 3 372.473 0.763 20 0 FCADHO CCN1CCN(CCCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000572968414 491404654 /nfs/dbraw/zinc/40/46/54/491404654.db2.gz HCNVGQVJZDPQEE-UHFFFAOYSA-N 1 3 367.538 0.108 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000573202219 491418881 /nfs/dbraw/zinc/41/88/81/491418881.db2.gz QPDPZIXNKQRXOB-ROUUACIJSA-N 1 3 358.486 0.932 20 0 FCADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+](C)C ZINC000573221457 491420465 /nfs/dbraw/zinc/42/04/65/491420465.db2.gz DCEFHOYGWUSCGT-MVJTYMMSSA-N 1 3 373.501 0.940 20 0 FCADHO C[C@H]1CN(CC2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C[C@H](C)O1 ZINC000566157421 491421689 /nfs/dbraw/zinc/42/16/89/491421689.db2.gz HATKDFNNFZBLQB-GJZGRUSLSA-N 1 3 364.494 0.588 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566190680 491424407 /nfs/dbraw/zinc/42/44/07/491424407.db2.gz IFSQDMFIAUEKPE-INIZCTEOSA-N 1 3 350.438 0.584 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000573547202 491439790 /nfs/dbraw/zinc/43/97/90/491439790.db2.gz XQPIDOOFYBBIFC-MNEFBYGVSA-N 1 3 372.513 0.874 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911779 491474645 /nfs/dbraw/zinc/47/46/45/491474645.db2.gz MXOOUNIQEKIFPA-NQIIRXRSSA-N 1 3 372.513 0.977 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559464000 491475536 /nfs/dbraw/zinc/47/55/36/491475536.db2.gz WIYSQDVOAXPWOQ-KRWDZBQOSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145935 491477459 /nfs/dbraw/zinc/47/74/59/491477459.db2.gz QZVCTALNRCEEKQ-UXLLHSPISA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145935 491477462 /nfs/dbraw/zinc/47/74/62/491477462.db2.gz QZVCTALNRCEEKQ-UXLLHSPISA-N 1 3 366.506 0.202 20 0 FCADHO [NH3+]CCC1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC1 ZINC000567118144 491486717 /nfs/dbraw/zinc/48/67/17/491486717.db2.gz FOZUKVUCOJMGFO-UHFFFAOYSA-N 1 3 366.506 0.335 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000567194295 491491940 /nfs/dbraw/zinc/49/19/40/491491940.db2.gz RQKKACOBIYYQEQ-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000559868915 491506777 /nfs/dbraw/zinc/50/67/77/491506777.db2.gz YDYDMRDURGHKFN-JKIFEVAISA-N 1 3 356.536 0.339 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000559868915 491506779 /nfs/dbraw/zinc/50/67/79/491506779.db2.gz YDYDMRDURGHKFN-JKIFEVAISA-N 1 3 356.536 0.339 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000567754804 491527344 /nfs/dbraw/zinc/52/73/44/491527344.db2.gz SHKWRLLVQKURMR-ROUUACIJSA-N 1 3 360.502 0.861 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1nnnc1-c1ccsc1 ZINC000575047879 491535781 /nfs/dbraw/zinc/53/57/81/491535781.db2.gz FKNDMZOMLKFGMZ-UHFFFAOYSA-N 1 3 351.480 0.353 20 0 FCADHO COC[C@@]1(C(=O)NCc2ccc(OCCN(C)C)c(OC)c2)CC[NH2+]C1 ZINC000567972747 491544117 /nfs/dbraw/zinc/54/41/17/491544117.db2.gz LYOHGPXJJHFPIJ-LJQANCHMSA-N 1 3 365.474 0.878 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1=O ZINC000567982822 491544494 /nfs/dbraw/zinc/54/44/94/491544494.db2.gz SXRVQJMNFTUGJN-VEYWMJLUSA-N 1 3 362.518 0.666 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000575200554 491545485 /nfs/dbraw/zinc/54/54/85/491545485.db2.gz BMCKNTHAVCEMSX-UHFFFAOYSA-N 1 3 368.522 0.594 20 0 FCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568286849 491566926 /nfs/dbraw/zinc/56/69/26/491566926.db2.gz IEOYATNYSKGFDT-QZTJIDSGSA-N 1 3 373.501 0.982 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000575888678 491568116 /nfs/dbraw/zinc/56/81/16/491568116.db2.gz FYLAUHCFUFUBDS-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@H]1[NH3+] ZINC000577085004 491588737 /nfs/dbraw/zinc/58/87/37/491588737.db2.gz QKHMMDBMPMHLGK-LSDHHAIUSA-N 1 3 368.547 0.660 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000584464507 491594486 /nfs/dbraw/zinc/59/44/86/491594486.db2.gz RRYHDZDTIHKLRK-XGXHKWSGSA-N 1 3 370.497 0.915 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520255 491599989 /nfs/dbraw/zinc/59/99/89/491599989.db2.gz LKKKHMAQMYSETJ-UONOGXRCSA-N 1 3 352.479 0.302 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000561355568 491600606 /nfs/dbraw/zinc/60/06/06/491600606.db2.gz DMPKMNZPDSJOEQ-MRXNPFEDSA-N 1 3 366.506 0.348 20 0 FCADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703533 491637318 /nfs/dbraw/zinc/63/73/18/491637318.db2.gz JYZQOCDISXXDKP-HOTGVXAUSA-N 1 3 366.458 0.837 20 0 FCADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577714684 491644474 /nfs/dbraw/zinc/64/44/74/491644474.db2.gz SZZMOAKYVUWIMA-IEBWSBKVSA-N 1 3 358.486 0.942 20 0 FCADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577714684 491644477 /nfs/dbraw/zinc/64/44/77/491644477.db2.gz SZZMOAKYVUWIMA-IEBWSBKVSA-N 1 3 358.486 0.942 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000569266347 491647699 /nfs/dbraw/zinc/64/76/99/491647699.db2.gz UYHWOVYLYAIAFS-CVEARBPZSA-N 1 3 354.495 0.012 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(CCO)CCOC3)CC2)CC1 ZINC000576836211 491649022 /nfs/dbraw/zinc/64/90/22/491649022.db2.gz GBNMLQLTZFRWIR-IBGZPJMESA-N 1 3 353.507 0.840 20 0 FCADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000569356610 491655668 /nfs/dbraw/zinc/65/56/68/491655668.db2.gz HBVSJOKDWDIQJF-AWEZNQCLSA-N 1 3 371.445 0.186 20 0 FCADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000576987025 491662744 /nfs/dbraw/zinc/66/27/44/491662744.db2.gz STJLCKNYAKUFIJ-MOPGFXCFSA-N 1 3 357.502 0.800 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000578066771 491669030 /nfs/dbraw/zinc/66/90/30/491669030.db2.gz FNBKVPDUPMMQBM-QGZVFWFLSA-N 1 3 362.474 0.502 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000578497676 491678457 /nfs/dbraw/zinc/67/84/57/491678457.db2.gz UDRFUPNGAODJLF-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542948 491679454 /nfs/dbraw/zinc/67/94/54/491679454.db2.gz IQYZHOZVKRYLDK-SJORKVTESA-N 1 3 350.507 0.907 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542946 491679559 /nfs/dbraw/zinc/67/95/59/491679559.db2.gz IQYZHOZVKRYLDK-IAGOWNOFSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610391 491680716 /nfs/dbraw/zinc/68/07/16/491680716.db2.gz PFKCHLUHHYNIKD-HHARLNAUSA-N 1 3 350.507 0.822 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000578692789 491682423 /nfs/dbraw/zinc/68/24/23/491682423.db2.gz GRHNFAJXQWMJKC-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](CC)O1 ZINC000579944050 491710542 /nfs/dbraw/zinc/71/05/42/491710542.db2.gz MICXEMDRQIMVIV-HOTGVXAUSA-N 1 3 356.511 0.354 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000584828828 491716073 /nfs/dbraw/zinc/71/60/73/491716073.db2.gz CZOZIQVEKMNUQJ-ZIAGYGMSSA-N 1 3 363.428 0.702 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580529214 491734752 /nfs/dbraw/zinc/73/47/52/491734752.db2.gz WXWQRUQGTUHKBR-INIZCTEOSA-N 1 3 374.485 0.840 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580889703 491750456 /nfs/dbraw/zinc/75/04/56/491750456.db2.gz BIRLTTDFJIWCHZ-INIZCTEOSA-N 1 3 362.474 0.502 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542707 493360252 /nfs/dbraw/zinc/36/02/52/493360252.db2.gz FZBHJTSHILQDCJ-WMZOPIPTSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542707 493360255 /nfs/dbraw/zinc/36/02/55/493360255.db2.gz FZBHJTSHILQDCJ-WMZOPIPTSA-N 1 3 371.485 0.673 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000581370134 491770244 /nfs/dbraw/zinc/77/02/44/491770244.db2.gz KMXNYBVWDPPLHG-VBNZEHGJSA-N 1 3 366.487 0.722 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000581370131 491770284 /nfs/dbraw/zinc/77/02/84/491770284.db2.gz KMXNYBVWDPPLHG-APHBMKBZSA-N 1 3 366.487 0.722 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000581432164 491772847 /nfs/dbraw/zinc/77/28/47/491772847.db2.gz MHUPPRHKAAVVRR-UHFFFAOYSA-N 1 3 370.461 0.602 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000581712203 491783619 /nfs/dbraw/zinc/78/36/19/491783619.db2.gz TYCGXMVNXNOMNJ-UHFFFAOYSA-N 1 3 364.494 0.068 20 0 FCADHO CC(=O)N1CCN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891535 491789194 /nfs/dbraw/zinc/78/91/94/491789194.db2.gz OBZJKKKIUKLFNX-QUCCMNQESA-N 1 3 358.486 0.996 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCSC1 ZINC000582476476 491814031 /nfs/dbraw/zinc/81/40/31/491814031.db2.gz ZHQRWHRQINAUFX-RHSMWYFYSA-N 1 3 356.536 0.821 20 0 FCADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(Nc4ccncc4)cc3)CCN2C1=O ZINC000582555952 491817674 /nfs/dbraw/zinc/81/76/74/491817674.db2.gz AAAFHIQYVMDQKT-IAGOWNOFSA-N 1 3 351.410 0.631 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740278 491824773 /nfs/dbraw/zinc/82/47/73/491824773.db2.gz KDZMEEVYOTWVGY-GUYCJALGSA-N 1 3 354.520 0.140 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740278 491824775 /nfs/dbraw/zinc/82/47/75/491824775.db2.gz KDZMEEVYOTWVGY-GUYCJALGSA-N 1 3 354.520 0.140 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668501089 493365677 /nfs/dbraw/zinc/36/56/77/493365677.db2.gz IZSDVYMFAVEDDY-WBVHZDCISA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1cncc(F)c1 ZINC000583308392 491842011 /nfs/dbraw/zinc/84/20/11/491842011.db2.gz VXGYWLOFPSWDFZ-ZDUSSCGKSA-N 1 3 353.442 0.350 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cncc(F)c1 ZINC000583308392 491842012 /nfs/dbraw/zinc/84/20/12/491842012.db2.gz VXGYWLOFPSWDFZ-ZDUSSCGKSA-N 1 3 353.442 0.350 20 0 FCADHO O=C(C(=O)N1CCCN(CC2CCCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583820066 491852756 /nfs/dbraw/zinc/85/27/56/491852756.db2.gz ZZWKTONJDFDCJF-HDICACEKSA-N 1 3 362.518 0.779 20 0 FCADHO COC(=O)[C@H]1CC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)O1 ZINC000583842198 491853188 /nfs/dbraw/zinc/85/31/88/491853188.db2.gz HMYODXWHUPZFHC-JKSUJKDBSA-N 1 3 353.463 0.382 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000611642292 491864703 /nfs/dbraw/zinc/86/47/03/491864703.db2.gz WQKJRAIHPMAPOJ-HRCADAONSA-N 1 3 350.507 0.964 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000611954461 491884973 /nfs/dbraw/zinc/88/49/73/491884973.db2.gz BSBKEDZJOGUVAO-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000611954461 491884975 /nfs/dbraw/zinc/88/49/75/491884975.db2.gz BSBKEDZJOGUVAO-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CCN2C1=O ZINC000595263551 491908866 /nfs/dbraw/zinc/90/88/66/491908866.db2.gz FEVRAEHPEKNLKF-IRXDYDNUSA-N 1 3 372.473 0.251 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000612546246 491932198 /nfs/dbraw/zinc/93/21/98/491932198.db2.gz QQRWUAKSUOSICF-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612907994 491958233 /nfs/dbraw/zinc/95/82/33/491958233.db2.gz AJAGPKKCBLOGHS-GJZGRUSLSA-N 1 3 363.510 0.658 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000597226095 492023684 /nfs/dbraw/zinc/02/36/84/492023684.db2.gz QZZDPMPIOPIMCD-IAGOWNOFSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000597226095 492023687 /nfs/dbraw/zinc/02/36/87/492023687.db2.gz QZZDPMPIOPIMCD-IAGOWNOFSA-N 1 3 365.522 0.855 20 0 FCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CCSCC3)C2)CC1 ZINC000604200050 492054275 /nfs/dbraw/zinc/05/42/75/492054275.db2.gz XGDWXLWINWUNSE-HNNXBMFYSA-N 1 3 355.552 0.503 20 0 FCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CCSCC3)C2)CC1 ZINC000604200050 492054276 /nfs/dbraw/zinc/05/42/76/492054276.db2.gz XGDWXLWINWUNSE-HNNXBMFYSA-N 1 3 355.552 0.503 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCN3CCSCC3)C2)CC1 ZINC000604200050 492054277 /nfs/dbraw/zinc/05/42/77/492054277.db2.gz XGDWXLWINWUNSE-HNNXBMFYSA-N 1 3 355.552 0.503 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274010 492083803 /nfs/dbraw/zinc/08/38/03/492083803.db2.gz JNACGNGJHVWOES-NRFANRHFSA-N 1 3 372.513 0.329 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000615274010 492083805 /nfs/dbraw/zinc/08/38/05/492083805.db2.gz JNACGNGJHVWOES-NRFANRHFSA-N 1 3 372.513 0.329 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274045 492084110 /nfs/dbraw/zinc/08/41/10/492084110.db2.gz KHDNRVGSQRVJEZ-FQEVSTJZSA-N 1 3 371.529 0.999 20 0 FCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)CC1 ZINC000615274045 492084111 /nfs/dbraw/zinc/08/41/11/492084111.db2.gz KHDNRVGSQRVJEZ-FQEVSTJZSA-N 1 3 371.529 0.999 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCN(CC3CCOCC3)CC2)CC1 ZINC000605576467 492099533 /nfs/dbraw/zinc/09/95/33/492099533.db2.gz ZPNRVSVYGJQCLT-UHFFFAOYSA-N 1 3 352.523 0.631 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000605882095 492104977 /nfs/dbraw/zinc/10/49/77/492104977.db2.gz NZEVCDQTAWXMQI-MRXNPFEDSA-N 1 3 354.495 0.651 20 0 FCADHO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633828 492125284 /nfs/dbraw/zinc/12/52/84/492125284.db2.gz WMWLPQNTXPGUQO-SJORKVTESA-N 1 3 355.527 0.278 20 0 FCADHO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633828 492125285 /nfs/dbraw/zinc/12/52/85/492125285.db2.gz WMWLPQNTXPGUQO-SJORKVTESA-N 1 3 355.527 0.278 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2(O)CCN(C)CC2)[C@@H](C)C1 ZINC000607245697 492142271 /nfs/dbraw/zinc/14/22/71/492142271.db2.gz YTEAFQBCGNRGBN-IRXDYDNUSA-N 1 3 370.538 0.879 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2(O)CCN(C)CC2)[C@@H](C)C1 ZINC000607245697 492142275 /nfs/dbraw/zinc/14/22/75/492142275.db2.gz YTEAFQBCGNRGBN-IRXDYDNUSA-N 1 3 370.538 0.879 20 0 FCADHO CCCN1CC[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000619898621 492282244 /nfs/dbraw/zinc/28/22/44/492282244.db2.gz LQAPVJQPAINWKW-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000619898621 492282245 /nfs/dbraw/zinc/28/22/45/492282245.db2.gz LQAPVJQPAINWKW-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900058 492282253 /nfs/dbraw/zinc/28/22/53/492282253.db2.gz RMEIYEXFZBHRCT-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900058 492282254 /nfs/dbraw/zinc/28/22/54/492282254.db2.gz RMEIYEXFZBHRCT-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642356704 492354646 /nfs/dbraw/zinc/35/46/46/492354646.db2.gz PLNBYCBCRRATBR-MRXNPFEDSA-N 1 3 354.495 0.250 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105063 492355882 /nfs/dbraw/zinc/35/58/82/492355882.db2.gz KPKLTDKCSJQXFQ-DLBZAZTESA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105063 492355885 /nfs/dbraw/zinc/35/58/85/492355885.db2.gz KPKLTDKCSJQXFQ-DLBZAZTESA-N 1 3 350.507 0.635 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000642439385 492358105 /nfs/dbraw/zinc/35/81/05/492358105.db2.gz DMLMOBHHMMYBMB-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@H](C(C)C)C2)CC1=O ZINC000621153063 492358910 /nfs/dbraw/zinc/35/89/10/492358910.db2.gz JZUCXPCROOJFLN-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@H](C(C)C)C2)CC1=O ZINC000621153063 492358911 /nfs/dbraw/zinc/35/89/11/492358911.db2.gz JZUCXPCROOJFLN-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN[C@H](C(C)C)C2)CC1=O ZINC000621153060 492359096 /nfs/dbraw/zinc/35/90/96/492359096.db2.gz JZUCXPCROOJFLN-BBWFWOEESA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN[C@H](C(C)C)C2)CC1=O ZINC000621153060 492359101 /nfs/dbraw/zinc/35/91/01/492359101.db2.gz JZUCXPCROOJFLN-BBWFWOEESA-N 1 3 350.507 0.776 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642645418 492370117 /nfs/dbraw/zinc/37/01/17/492370117.db2.gz KBSYTBWUJUYBEE-BZUAXINKSA-N 1 3 354.495 0.332 20 0 FCADHO O=C(NC[C@@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@H]1CCC[NH2+]1 ZINC000647905666 492380689 /nfs/dbraw/zinc/38/06/89/492380689.db2.gz LLPAOFIXBGDPKV-WNRNVDISSA-N 1 3 350.507 0.430 20 0 FCADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642733858 492382416 /nfs/dbraw/zinc/38/24/16/492382416.db2.gz WTNVUXOMTQLZTP-QGZVFWFLSA-N 1 3 358.486 0.664 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000642733852 492382731 /nfs/dbraw/zinc/38/27/31/492382731.db2.gz VAVQVBDODNHUEB-RYQLBKOJSA-N 1 3 374.485 0.514 20 0 FCADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978729 492390506 /nfs/dbraw/zinc/39/05/06/492390506.db2.gz XIFNJKOSJCWTFE-ZWKOTPCHSA-N 1 3 372.517 0.837 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642787185 492391446 /nfs/dbraw/zinc/39/14/46/492391446.db2.gz GFOFLVKSNTUEEM-INIZCTEOSA-N 1 3 359.474 0.673 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000627826195 492393311 /nfs/dbraw/zinc/39/33/11/492393311.db2.gz QVKXNLVHTBZPKE-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000627826195 492393314 /nfs/dbraw/zinc/39/33/14/492393314.db2.gz QVKXNLVHTBZPKE-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(F)c1 ZINC000635123519 492397034 /nfs/dbraw/zinc/39/70/34/492397034.db2.gz USDDPNHOOMLSAO-UHFFFAOYSA-N 1 3 354.426 0.725 20 0 FCADHO O=C([C@@H]1CNCCOC1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119105 492401979 /nfs/dbraw/zinc/40/19/79/492401979.db2.gz OMXPOFITFKUIJE-ZIAGYGMSSA-N 1 3 350.488 0.850 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918533 492403648 /nfs/dbraw/zinc/40/36/48/492403648.db2.gz YCVABSQJJNSPPZ-GOSISDBHSA-N 1 3 373.501 0.763 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@@H]3COC)CC2)CC1 ZINC000655166334 492409832 /nfs/dbraw/zinc/40/98/32/492409832.db2.gz ZAZOYYKPMJRASP-QZTJIDSGSA-N 1 3 353.507 0.791 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980018 492410134 /nfs/dbraw/zinc/41/01/34/492410134.db2.gz UUPMIVQZFWQABA-INIZCTEOSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838025 492421555 /nfs/dbraw/zinc/42/15/55/492421555.db2.gz WMHGSGJBEDWFSX-ABSDTBQOSA-N 1 3 358.486 0.615 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839150 492422627 /nfs/dbraw/zinc/42/26/27/492422627.db2.gz OMYRUIIECNBOPH-BEFAXECRSA-N 1 3 366.506 0.332 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028277 492443669 /nfs/dbraw/zinc/44/36/69/492443669.db2.gz OUUMWVWMIIBMTI-YJBOKZPZSA-N 1 3 354.495 0.143 20 0 FCADHO CCC(C)(C)N1CCN(C(=O)Cn2cc([C@@H]3C[NH2+]C[C@H]3OC)nn2)CC1 ZINC000655494389 492447585 /nfs/dbraw/zinc/44/75/85/492447585.db2.gz ANDZHSQMYZNUDG-GOEBONIOSA-N 1 3 364.494 0.313 20 0 FCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655714370 492478845 /nfs/dbraw/zinc/47/88/45/492478845.db2.gz BRPNZIJTYYBDAY-AEFFLSMTSA-N 1 3 352.523 0.807 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)o1 ZINC000643494315 492481308 /nfs/dbraw/zinc/48/13/08/492481308.db2.gz QHFYMPOZKZUUSF-WBVHZDCISA-N 1 3 362.474 0.689 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000643494595 492481469 /nfs/dbraw/zinc/48/14/69/492481469.db2.gz HRHZSGRGVSAYTH-HRCADAONSA-N 1 3 352.479 0.038 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)CCO1 ZINC000643494243 492481537 /nfs/dbraw/zinc/48/15/37/492481537.db2.gz WLFKYJMJMCVWOI-QGZVFWFLSA-N 1 3 366.506 0.287 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643511160 492485359 /nfs/dbraw/zinc/48/53/59/492485359.db2.gz GGJIDQKZMATBKV-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643524408 492490349 /nfs/dbraw/zinc/49/03/49/492490349.db2.gz WJQCYCKAZYXXSK-HOCLYGCPSA-N 1 3 364.515 0.849 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643531720 492490670 /nfs/dbraw/zinc/49/06/70/492490670.db2.gz ARWBCGPVYHTOTA-NJAFHUGGSA-N 1 3 358.486 0.915 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000643531881 492491754 /nfs/dbraw/zinc/49/17/54/492491754.db2.gz RFVJRLFMBOEXJA-XLIONFOSSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCC1 ZINC000643552899 492498145 /nfs/dbraw/zinc/49/81/45/492498145.db2.gz VRSSLPRWHZPIDF-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCC(C)([NH3+])CC1)Cc1ccco1 ZINC000643593007 492503168 /nfs/dbraw/zinc/50/31/68/492503168.db2.gz HQMFRDOJTWOJMQ-UHFFFAOYSA-N 1 3 350.463 0.900 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000649296011 492524672 /nfs/dbraw/zinc/52/46/72/492524672.db2.gz SCZRKCKAZNDHEE-GOSISDBHSA-N 1 3 374.485 0.840 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347303 492542598 /nfs/dbraw/zinc/54/25/98/492542598.db2.gz PIYXTYDHFGYBDS-GJZGRUSLSA-N 1 3 370.457 1.000 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347332 492543054 /nfs/dbraw/zinc/54/30/54/492543054.db2.gz QWZQVIZALSPIJT-CABCVRRESA-N 1 3 360.458 0.601 20 0 FCADHO COC[C@H]1C[C@@H](O)CN1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)cc1 ZINC000649763372 492581145 /nfs/dbraw/zinc/58/11/45/492581145.db2.gz ROESNYSMDAYPRL-UAFMIMERSA-N 1 3 364.486 0.850 20 0 FCADHO COC[C@H]1C[C@@H](O)CN1Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2COC)cc1 ZINC000649763372 492581148 /nfs/dbraw/zinc/58/11/48/492581148.db2.gz ROESNYSMDAYPRL-UAFMIMERSA-N 1 3 364.486 0.850 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357579 492611761 /nfs/dbraw/zinc/61/17/61/492611761.db2.gz ZMLLTTGCJXWWCG-ULQDDVLXSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357579 492611763 /nfs/dbraw/zinc/61/17/63/492611763.db2.gz ZMLLTTGCJXWWCG-ULQDDVLXSA-N 1 3 350.507 0.920 20 0 FCADHO Nc1nc(N)nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000624022098 492613580 /nfs/dbraw/zinc/61/35/80/492613580.db2.gz BSUUCFSIRAKMOJ-UHFFFAOYSA-N 1 3 357.462 0.602 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665023 492653816 /nfs/dbraw/zinc/65/38/16/492653816.db2.gz YTMCYZINTRMMBV-WMLDXEAASA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629581284 492656348 /nfs/dbraw/zinc/65/63/48/492656348.db2.gz UWORMYSRKWIMHO-HOTGVXAUSA-N 1 3 355.504 0.790 20 0 FCADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000636960853 492738318 /nfs/dbraw/zinc/73/83/18/492738318.db2.gz NLSBLPDEHPVIKE-QAPCUYQASA-N 1 3 361.490 0.973 20 0 FCADHO CCN1C[C@@H](CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317226 492741679 /nfs/dbraw/zinc/74/16/79/492741679.db2.gz GQEKPYFKOVXHMJ-IAGOWNOFSA-N 1 3 367.538 0.912 20 0 FCADHO CCN1C[C@@H](CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000651317226 492741683 /nfs/dbraw/zinc/74/16/83/492741683.db2.gz GQEKPYFKOVXHMJ-IAGOWNOFSA-N 1 3 367.538 0.912 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185030 492787067 /nfs/dbraw/zinc/78/70/67/492787067.db2.gz DWQSTOFUBYNZFZ-AEFFLSMTSA-N 1 3 360.502 0.891 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185030 492787072 /nfs/dbraw/zinc/78/70/72/492787072.db2.gz DWQSTOFUBYNZFZ-AEFFLSMTSA-N 1 3 360.502 0.891 20 0 FCADHO CN1CCN(c2ncc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cn2)CC1 ZINC000657751353 492790614 /nfs/dbraw/zinc/79/06/14/492790614.db2.gz QXLVOKHMFWMBMP-GOSISDBHSA-N 1 3 360.506 0.571 20 0 FCADHO CN1CCN(c2ncc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)cn2)CC1 ZINC000657751353 492790616 /nfs/dbraw/zinc/79/06/16/492790616.db2.gz QXLVOKHMFWMBMP-GOSISDBHSA-N 1 3 360.506 0.571 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)n1 ZINC000658261321 492856537 /nfs/dbraw/zinc/85/65/37/492856537.db2.gz LABUNCVACIQXPU-ZDUSSCGKSA-N 1 3 350.467 0.372 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cn1 ZINC000658263068 492856552 /nfs/dbraw/zinc/85/65/52/492856552.db2.gz GOFYRQUSVCKXJQ-ZDUSSCGKSA-N 1 3 350.467 0.372 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645136015 492872355 /nfs/dbraw/zinc/87/23/55/492872355.db2.gz KJSHCWFLZPMKHG-KURKYZTESA-N 1 3 358.486 0.663 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000645183658 492876514 /nfs/dbraw/zinc/87/65/14/492876514.db2.gz LRXXHOWMKDSKNZ-UONOGXRCSA-N 1 3 350.488 0.869 20 0 FCADHO O=S(=O)(CCCN1CCCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631935983 492891477 /nfs/dbraw/zinc/89/14/77/492891477.db2.gz PXLPVSIGAJAQHI-CYBMUJFWSA-N 1 3 372.457 0.228 20 0 FCADHO CN(CCN1CCCCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000652218694 492895607 /nfs/dbraw/zinc/89/56/07/492895607.db2.gz WWQAPDXXPVEWKA-AWEZNQCLSA-N 1 3 365.444 0.950 20 0 FCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000638108110 492907775 /nfs/dbraw/zinc/90/77/75/492907775.db2.gz LAHGQKPNDJNNBX-LPHOPBHVSA-N 1 3 362.474 0.361 20 0 FCADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000652352314 492915221 /nfs/dbraw/zinc/91/52/21/492915221.db2.gz BHFWGFNJDGYHAF-LPHOPBHVSA-N 1 3 358.490 0.576 20 0 FCADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000652352314 492915226 /nfs/dbraw/zinc/91/52/26/492915226.db2.gz BHFWGFNJDGYHAF-LPHOPBHVSA-N 1 3 358.490 0.576 20 0 FCADHO CCN1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363179 492916127 /nfs/dbraw/zinc/91/61/27/492916127.db2.gz ZNTFFLUYKXQZDZ-NXHRZFHOSA-N 1 3 352.523 0.948 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140135 492917494 /nfs/dbraw/zinc/91/74/94/492917494.db2.gz VNSKBBHOKVLLKT-IEBWSBKVSA-N 1 3 360.502 0.803 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140135 492917499 /nfs/dbraw/zinc/91/74/99/492917499.db2.gz VNSKBBHOKVLLKT-IEBWSBKVSA-N 1 3 360.502 0.803 20 0 FCADHO [NH3+]C1(CC(=O)N2CC[C@H]3OCCN[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226409 492924307 /nfs/dbraw/zinc/92/43/07/492924307.db2.gz ILFVTSKRWLYGSL-RBUKOAKNSA-N 1 3 372.513 0.959 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000638343427 492938569 /nfs/dbraw/zinc/93/85/69/492938569.db2.gz SRCWIMCVMMQLLM-QGZVFWFLSA-N 1 3 354.458 0.789 20 0 FCADHO CN(CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349558 492939201 /nfs/dbraw/zinc/93/92/01/492939201.db2.gz QCSMXDMBRSLNPR-CVEARBPZSA-N 1 3 365.522 0.711 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NCc2ccc(C[NH3+])cc2F)cn1 ZINC000652639533 492975324 /nfs/dbraw/zinc/97/53/24/492975324.db2.gz QUPDYEOAZKXUJL-UHFFFAOYSA-N 1 3 362.409 0.297 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652666890 492982258 /nfs/dbraw/zinc/98/22/58/492982258.db2.gz WQLOEAZCCMQIFA-SFHVURJKSA-N 1 3 360.502 0.781 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903950 492985995 /nfs/dbraw/zinc/98/59/95/492985995.db2.gz JGDQJSSBMOPPAU-WMZOPIPTSA-N 1 3 369.473 0.817 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903950 492985999 /nfs/dbraw/zinc/98/59/99/492985999.db2.gz JGDQJSSBMOPPAU-WMZOPIPTSA-N 1 3 369.473 0.817 20 0 FCADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cc(N3CCNCC3)ccn2)cnn1C ZINC000638985166 492990161 /nfs/dbraw/zinc/99/01/61/492990161.db2.gz BAZQTSQUIMSXNT-SJORKVTESA-N 1 3 369.473 0.475 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652728833 493006684 /nfs/dbraw/zinc/00/66/84/493006684.db2.gz CNMFAEVLPBYYHN-MWDXBVQZSA-N 1 3 366.506 0.284 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000646666680 493081773 /nfs/dbraw/zinc/08/17/73/493081773.db2.gz WZJCPFDQTSSPIF-MSOLQXFVSA-N 1 3 373.501 0.607 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272002 493088136 /nfs/dbraw/zinc/08/81/36/493088136.db2.gz UXRTYPGZTNIKGU-DLBZAZTESA-N 1 3 350.507 0.825 20 0 FCADHO CN1CCC(n2cc(NC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cn2)CC1 ZINC000632961857 493098317 /nfs/dbraw/zinc/09/83/17/493098317.db2.gz UOIWOWJKRZUBAZ-QGZVFWFLSA-N 1 3 361.494 0.661 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000633040445 493108823 /nfs/dbraw/zinc/10/88/23/493108823.db2.gz XMQBCTHSIDJFSU-NVXWUHKLSA-N 1 3 373.501 0.711 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCN(C2CCCCC2)CC1 ZINC000627230665 493112029 /nfs/dbraw/zinc/11/20/29/493112029.db2.gz KXOHVWHDOTZBPJ-QGZVFWFLSA-N 1 3 361.494 0.972 20 0 FCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000627246493 493116350 /nfs/dbraw/zinc/11/63/50/493116350.db2.gz MVYRKMYWDPWYJU-RRFJBIMHSA-N 1 3 361.494 0.459 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000653401764 493121667 /nfs/dbraw/zinc/12/16/67/493121667.db2.gz GGQNARJLEBVMMF-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000653401764 493121670 /nfs/dbraw/zinc/12/16/70/493121670.db2.gz GGQNARJLEBVMMF-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1=O ZINC000633106844 493128724 /nfs/dbraw/zinc/12/87/24/493128724.db2.gz XIHDRDYWAURHMU-INIZCTEOSA-N 1 3 354.495 0.014 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633112036 493130584 /nfs/dbraw/zinc/13/05/84/493130584.db2.gz VSBIEMXGCBEAFQ-OTWHNJEPSA-N 1 3 370.497 0.725 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000659113781 493160369 /nfs/dbraw/zinc/16/03/69/493160369.db2.gz YETYKDQQPDWWPU-LLVKDONJSA-N 1 3 356.854 0.943 20 0 FCADHO CC1CC[NH+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659435452 493176428 /nfs/dbraw/zinc/17/64/28/493176428.db2.gz IYNPSXVFYIFTND-UHFFFAOYSA-N 1 3 350.467 0.952 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000659286764 493183289 /nfs/dbraw/zinc/18/32/89/493183289.db2.gz DQMFTVLNYPMHBV-INIZCTEOSA-N 1 3 360.462 0.676 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@H+](C)C(C)C)nn2)c1 ZINC000641224628 493186124 /nfs/dbraw/zinc/18/61/24/493186124.db2.gz WOBCKIQPCHAFAA-MRXNPFEDSA-N 1 3 360.462 0.804 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@@H+](C)C(C)C)nn2)c1 ZINC000641224628 493186127 /nfs/dbraw/zinc/18/61/27/493186127.db2.gz WOBCKIQPCHAFAA-MRXNPFEDSA-N 1 3 360.462 0.804 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OC(C)(C)C)CC1 ZINC000659318562 493189841 /nfs/dbraw/zinc/18/98/41/493189841.db2.gz GHTFONRFLILXFW-UHFFFAOYSA-N 1 3 370.538 0.744 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000659318585 493190632 /nfs/dbraw/zinc/19/06/32/493190632.db2.gz OUNDIMLLKSYFLK-QGZVFWFLSA-N 1 3 368.522 0.356 20 0 FCADHO CCCN1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538763 493208269 /nfs/dbraw/zinc/20/82/69/493208269.db2.gz LYRZYPVIQWJVQQ-QWHCGFSZSA-N 1 3 351.417 0.606 20 0 FCADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@@H](CN)C1 ZINC000659581328 493216180 /nfs/dbraw/zinc/21/61/80/493216180.db2.gz JEKHKHWEAMGMTI-JJRVBVJISA-N 1 3 367.444 0.695 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000672697316 493235475 /nfs/dbraw/zinc/23/54/75/493235475.db2.gz QLSQMYSYFRVGGU-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000672719437 493239468 /nfs/dbraw/zinc/23/94/68/493239468.db2.gz QUSKFGIASVTRPK-LBPRGKRZSA-N 1 3 353.467 0.420 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659673382 493243572 /nfs/dbraw/zinc/24/35/72/493243572.db2.gz CGZSDPMSCMGWRB-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659676174 493246317 /nfs/dbraw/zinc/24/63/17/493246317.db2.gz FPSGSOZCNPLYEE-INIZCTEOSA-N 1 3 362.474 0.065 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](CN)C1 ZINC000659693234 493257116 /nfs/dbraw/zinc/25/71/16/493257116.db2.gz DSTGNFFTOIMFPE-INMHGKMJSA-N 1 3 366.506 0.189 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659726909 493274224 /nfs/dbraw/zinc/27/42/24/493274224.db2.gz CQDSMBCJYGNXPT-QAPCUYQASA-N 1 3 373.501 0.606 20 0 FCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727162 493274316 /nfs/dbraw/zinc/27/43/16/493274316.db2.gz HSAHQAYDANFZJZ-QZTJIDSGSA-N 1 3 373.501 0.653 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000659735877 493278612 /nfs/dbraw/zinc/27/86/12/493278612.db2.gz KIWPKNLHLOMDJF-OWCLPIDISA-N 1 3 350.507 0.953 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000682271967 493284439 /nfs/dbraw/zinc/28/44/39/493284439.db2.gz DMDWSIFOZNJPMK-AWEZNQCLSA-N 1 3 350.467 0.374 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000673427651 493327426 /nfs/dbraw/zinc/32/74/26/493327426.db2.gz CCLWRANVXGPKHV-IRXDYDNUSA-N 1 3 368.522 0.593 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170756 493332133 /nfs/dbraw/zinc/33/21/33/493332133.db2.gz FWPILKXWYHUPTN-IAGOWNOFSA-N 1 3 366.506 0.252 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585541 493380364 /nfs/dbraw/zinc/38/03/64/493380364.db2.gz PPDZMJIJHARBRY-BRWVUGGUSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585541 493380366 /nfs/dbraw/zinc/38/03/66/493380366.db2.gz PPDZMJIJHARBRY-BRWVUGGUSA-N 1 3 364.490 0.099 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853373 493386556 /nfs/dbraw/zinc/38/65/56/493386556.db2.gz WPQRIXNIWSTPPT-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853373 493386558 /nfs/dbraw/zinc/38/65/58/493386558.db2.gz WPQRIXNIWSTPPT-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668788272 493411354 /nfs/dbraw/zinc/41/13/54/493411354.db2.gz YCLUCXOQAOOHFD-MRXNPFEDSA-N 1 3 368.522 0.593 20 0 FCADHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000662286307 493502332 /nfs/dbraw/zinc/50/23/32/493502332.db2.gz ZAETYKCZAUTMDW-UHFFFAOYSA-N 1 3 360.458 0.846 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291426 493503936 /nfs/dbraw/zinc/50/39/36/493503936.db2.gz RZEYRBZDBJODAE-PBHICJAKSA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000669452527 493504295 /nfs/dbraw/zinc/50/42/95/493504295.db2.gz JIVCECGZQIVENQ-KRWDZBQOSA-N 1 3 361.490 0.919 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296735 493504539 /nfs/dbraw/zinc/50/45/39/493504539.db2.gz MHZWFQDGGXEHOJ-QGZVFWFLSA-N 1 3 350.507 0.825 20 0 FCADHO CC[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000669444055 493504542 /nfs/dbraw/zinc/50/45/42/493504542.db2.gz QBRYVTCKEFHOHG-OAGGEKHMSA-N 1 3 353.511 0.698 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cnnn1C1CC[NH2+]CC1 ZINC000662407472 493513730 /nfs/dbraw/zinc/51/37/30/493513730.db2.gz CXDNQGQBUIUPTH-UHFFFAOYSA-N 1 3 356.434 0.260 20 0 FCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000662724673 493535461 /nfs/dbraw/zinc/53/54/61/493535461.db2.gz SGVWLGBULJCPDD-ROUUACIJSA-N 1 3 374.485 0.492 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845247 493546320 /nfs/dbraw/zinc/54/63/20/493546320.db2.gz GSIQAPOGMQKVTM-DLBZAZTESA-N 1 3 350.507 0.635 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000662939768 493557364 /nfs/dbraw/zinc/55/73/64/493557364.db2.gz IJSXRSNYKRIJGX-UHFFFAOYSA-N 1 3 364.490 0.781 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662941718 493557542 /nfs/dbraw/zinc/55/75/42/493557542.db2.gz AXZKUSBSFPFBPP-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662946844 493559197 /nfs/dbraw/zinc/55/91/97/493559197.db2.gz DEENMCNPEMHWPG-RTBURBONSA-N 1 3 372.513 0.972 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000662954360 493560428 /nfs/dbraw/zinc/56/04/28/493560428.db2.gz UUQGBWFVHCLIKC-IBGZPJMESA-N 1 3 372.513 0.972 20 0 FCADHO O=C(CC1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014909 493566680 /nfs/dbraw/zinc/56/66/80/493566680.db2.gz PMUAGHUBZZAFHJ-MRXNPFEDSA-N 1 3 360.506 0.915 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000670709289 493589398 /nfs/dbraw/zinc/58/93/98/493589398.db2.gz SYAHCIHQLDAJDC-KRWDZBQOSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1O ZINC000663584205 493602077 /nfs/dbraw/zinc/60/20/77/493602077.db2.gz KOOBWZJHIAHEQA-IRXDYDNUSA-N 1 3 350.463 0.443 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102357 493633533 /nfs/dbraw/zinc/63/35/33/493633533.db2.gz YIFMIPFIHPBZDA-ZACQAIPSSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000671102357 493633534 /nfs/dbraw/zinc/63/35/34/493633534.db2.gz YIFMIPFIHPBZDA-ZACQAIPSSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000671103799 493634282 /nfs/dbraw/zinc/63/42/82/493634282.db2.gz IYVMTPAHELBXIW-ZACQAIPSSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000671103799 493634284 /nfs/dbraw/zinc/63/42/84/493634284.db2.gz IYVMTPAHELBXIW-ZACQAIPSSA-N 1 3 350.507 0.966 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000671134667 493641863 /nfs/dbraw/zinc/64/18/63/493641863.db2.gz IEYLSWZZXMKWJD-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000671134667 493641865 /nfs/dbraw/zinc/64/18/65/493641865.db2.gz IEYLSWZZXMKWJD-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000671374251 493661684 /nfs/dbraw/zinc/66/16/84/493661684.db2.gz GVWQZNTUWVACKP-INIZCTEOSA-N 1 3 354.495 0.202 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCc2ccncc2OCCC[NH+](C)C)C[C@@H]1O ZINC000664913473 493689788 /nfs/dbraw/zinc/68/97/88/493689788.db2.gz ZGVBEVFLGVTZCL-HOTGVXAUSA-N 1 3 365.478 0.228 20 0 FCADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236406 493706406 /nfs/dbraw/zinc/70/64/06/493706406.db2.gz LWOYKRWCKRMBQG-UHTWSYAYSA-N 1 3 371.279 0.916 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665460680 493715960 /nfs/dbraw/zinc/71/59/60/493715960.db2.gz RSOUEHQPLPSDLR-SFHVURJKSA-N 1 3 354.495 0.243 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672165604 493739874 /nfs/dbraw/zinc/73/98/74/493739874.db2.gz JWYIJTOYUDLFFW-KRWDZBQOSA-N 1 3 366.506 0.204 20 0 FCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311973 493754712 /nfs/dbraw/zinc/75/47/12/493754712.db2.gz XMRKAKQMUZATNS-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311973 493754713 /nfs/dbraw/zinc/75/47/13/493754713.db2.gz XMRKAKQMUZATNS-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413886446 534148148 /nfs/dbraw/zinc/14/81/48/534148148.db2.gz URTDQBWMQUCKHJ-IAGOWNOFSA-N 1 3 352.523 0.772 20 0 FCADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415757860 518200918 /nfs/dbraw/zinc/20/09/18/518200918.db2.gz HMRYKFMGVSSHPT-FVQHAEBGSA-N 1 3 374.510 0.550 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424520139 536496690 /nfs/dbraw/zinc/49/66/90/536496690.db2.gz KLPOACDSBHRPKM-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000410494961 527823890 /nfs/dbraw/zinc/82/38/90/527823890.db2.gz UBDDVXZZYHRWTJ-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000410494961 527823896 /nfs/dbraw/zinc/82/38/96/527823896.db2.gz UBDDVXZZYHRWTJ-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000410483021 528139373 /nfs/dbraw/zinc/13/93/73/528139373.db2.gz CLPDTTYYRJOTPH-INIZCTEOSA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410434816 528247997 /nfs/dbraw/zinc/24/79/97/528247997.db2.gz PELGPIXWXIELDY-IAGOWNOFSA-N 1 3 368.522 0.498 20 0 FCADHO CC1(C)NC(=O)N(CCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000420390296 534978866 /nfs/dbraw/zinc/97/88/66/534978866.db2.gz ZHYVZAKOIIHIOJ-CABCVRRESA-N 1 3 352.479 0.925 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419698577 535071679 /nfs/dbraw/zinc/07/16/79/535071679.db2.gz PVONFDVJTRUNSV-ARFHVFGLSA-N 1 3 368.522 0.842 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419698577 535071681 /nfs/dbraw/zinc/07/16/81/535071681.db2.gz PVONFDVJTRUNSV-ARFHVFGLSA-N 1 3 368.522 0.842 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419908854 535158566 /nfs/dbraw/zinc/15/85/66/535158566.db2.gz JYRZSZYIAIYNIC-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446375238 535739712 /nfs/dbraw/zinc/73/97/12/535739712.db2.gz WEHCFNAXOYDTLJ-YKTARERQSA-N 1 3 352.523 0.661 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420092240 535856250 /nfs/dbraw/zinc/85/62/50/535856250.db2.gz VRVXASSICUZTAB-HOTGVXAUSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419655020 535902712 /nfs/dbraw/zinc/90/27/12/535902712.db2.gz HBSVKHQKTIEMPT-INIZCTEOSA-N 1 3 362.474 0.154 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000419221462 536368974 /nfs/dbraw/zinc/36/89/74/536368974.db2.gz AQJSBOHGSHRUNE-JQHSSLGASA-N 1 3 358.486 0.834 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)C1 ZINC000415326860 536417741 /nfs/dbraw/zinc/41/77/41/536417741.db2.gz WXJLMKLINURIOB-ZDUSSCGKSA-N 1 3 352.410 0.525 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C1CC1 ZINC000419763964 536481346 /nfs/dbraw/zinc/48/13/46/536481346.db2.gz OUHJDZPUTUFDIY-AEFFLSMTSA-N 1 3 358.486 0.820 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419773589 536481437 /nfs/dbraw/zinc/48/14/37/536481437.db2.gz ZSDNZLLOEBSJGD-ROUUACIJSA-N 1 3 358.486 0.881 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@@H](CN)C1 ZINC000423671752 536734828 /nfs/dbraw/zinc/73/48/28/536734828.db2.gz NMRFHUIMGPJFGA-CVEARBPZSA-N 1 3 356.511 0.528 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419751279 536746911 /nfs/dbraw/zinc/74/69/11/536746911.db2.gz KEYICNMVKGBXDA-ZBFHGGJFSA-N 1 3 368.522 0.626 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419752184 536747016 /nfs/dbraw/zinc/74/70/16/536747016.db2.gz LTBMHAVUGDEXJL-ZBFHGGJFSA-N 1 3 368.522 0.578 20 0 FCADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@H](O)CN1CCOCC1 ZINC000093583087 546592049 /nfs/dbraw/zinc/59/20/49/546592049.db2.gz WLJBJFGNJJZSMQ-SFHVURJKSA-N 1 3 351.491 0.752 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550654461 547094002 /nfs/dbraw/zinc/09/40/02/547094002.db2.gz OTIAERAVOGVLMU-OAHLLOKOSA-N 1 3 350.507 0.825 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000550692620 547098541 /nfs/dbraw/zinc/09/85/41/547098541.db2.gz YJQSFXWWBXXWGI-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@@H]1C ZINC000550952357 547117116 /nfs/dbraw/zinc/11/71/16/547117116.db2.gz SALLWYHROGUBMU-HOTGVXAUSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@@H]1C ZINC000550952357 547117120 /nfs/dbraw/zinc/11/71/20/547117120.db2.gz SALLWYHROGUBMU-HOTGVXAUSA-N 1 3 356.511 0.402 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551499697 547149035 /nfs/dbraw/zinc/14/90/35/547149035.db2.gz VWUIBRUBJBCXFA-LTIDMASMSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551499697 547149039 /nfs/dbraw/zinc/14/90/39/547149039.db2.gz VWUIBRUBJBCXFA-LTIDMASMSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000552289405 547198924 /nfs/dbraw/zinc/19/89/24/547198924.db2.gz XBOGSGCYJOLKSG-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000552364058 547205439 /nfs/dbraw/zinc/20/54/39/547205439.db2.gz UBCNKMBHNMQVDN-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000552364058 547205445 /nfs/dbraw/zinc/20/54/45/547205445.db2.gz UBCNKMBHNMQVDN-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000552634831 547220925 /nfs/dbraw/zinc/22/09/25/547220925.db2.gz OUILUOGNEXADGE-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000553359650 547271710 /nfs/dbraw/zinc/27/17/10/547271710.db2.gz AVGCIQKASYZMBA-INMHGKMJSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000553359650 547271711 /nfs/dbraw/zinc/27/17/11/547271711.db2.gz AVGCIQKASYZMBA-INMHGKMJSA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000553686781 547300523 /nfs/dbraw/zinc/30/05/23/547300523.db2.gz JZEOZXPBSZROJF-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000553686781 547300526 /nfs/dbraw/zinc/30/05/26/547300526.db2.gz JZEOZXPBSZROJF-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000475723660 547334745 /nfs/dbraw/zinc/33/47/45/547334745.db2.gz PWSHROFIEFHUGT-ZSYWTGECSA-N 1 3 357.539 0.889 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000950248442 674423523 /nfs/dbraw/zinc/42/35/23/674423523.db2.gz XHZQNVZXXULCCP-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCC(C)(C)C2)CC[N@H+]1C ZINC000950248442 674423525 /nfs/dbraw/zinc/42/35/25/674423525.db2.gz XHZQNVZXXULCCP-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738393084 599491276 /nfs/dbraw/zinc/49/12/76/599491276.db2.gz IOISPIDHXXRMSF-OAHLLOKOSA-N 1 3 370.461 0.841 20 0 FCADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738393084 599491277 /nfs/dbraw/zinc/49/12/77/599491277.db2.gz IOISPIDHXXRMSF-OAHLLOKOSA-N 1 3 370.461 0.841 20 0 FCADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738393084 599491280 /nfs/dbraw/zinc/49/12/80/599491280.db2.gz IOISPIDHXXRMSF-OAHLLOKOSA-N 1 3 370.461 0.841 20 0 FCADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738393084 599491281 /nfs/dbraw/zinc/49/12/81/599491281.db2.gz IOISPIDHXXRMSF-OAHLLOKOSA-N 1 3 370.461 0.841 20 0 FCADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738393082 599491863 /nfs/dbraw/zinc/49/18/63/599491863.db2.gz IOISPIDHXXRMSF-HNNXBMFYSA-N 1 3 370.461 0.841 20 0 FCADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738393082 599491866 /nfs/dbraw/zinc/49/18/66/599491866.db2.gz IOISPIDHXXRMSF-HNNXBMFYSA-N 1 3 370.461 0.841 20 0 FCADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738393082 599491869 /nfs/dbraw/zinc/49/18/69/599491869.db2.gz IOISPIDHXXRMSF-HNNXBMFYSA-N 1 3 370.461 0.841 20 0 FCADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738393082 599491872 /nfs/dbraw/zinc/49/18/72/599491872.db2.gz IOISPIDHXXRMSF-HNNXBMFYSA-N 1 3 370.461 0.841 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729588571 665732488 /nfs/dbraw/zinc/73/24/88/665732488.db2.gz SMDNIJNVAFKDKJ-JKSUJKDBSA-N 1 3 353.511 0.175 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000729588571 665732490 /nfs/dbraw/zinc/73/24/90/665732490.db2.gz SMDNIJNVAFKDKJ-JKSUJKDBSA-N 1 3 353.511 0.175 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000969123547 663139323 /nfs/dbraw/zinc/13/93/23/663139323.db2.gz LPWZASBAUSKRLF-NQNKBUKLSA-N 1 3 350.507 0.869 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000969123547 663139324 /nfs/dbraw/zinc/13/93/24/663139324.db2.gz LPWZASBAUSKRLF-NQNKBUKLSA-N 1 3 350.507 0.869 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000971566819 663397958 /nfs/dbraw/zinc/39/79/58/663397958.db2.gz JOKZTCANFZANFK-OWCLPIDISA-N 1 3 351.495 0.275 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000971566819 663397961 /nfs/dbraw/zinc/39/79/61/663397961.db2.gz JOKZTCANFZANFK-OWCLPIDISA-N 1 3 351.495 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000971564198 663398150 /nfs/dbraw/zinc/39/81/50/663398150.db2.gz UZFYFNOQVDGSCF-HYVNUMGLSA-N 1 3 371.547 0.684 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000971564198 663398151 /nfs/dbraw/zinc/39/81/51/663398151.db2.gz UZFYFNOQVDGSCF-HYVNUMGLSA-N 1 3 371.547 0.684 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC000977820373 664425303 /nfs/dbraw/zinc/42/53/03/664425303.db2.gz WOEXVJZTOPOCPD-OWCLPIDISA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC000977820373 664425306 /nfs/dbraw/zinc/42/53/06/664425306.db2.gz WOEXVJZTOPOCPD-OWCLPIDISA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](O)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184341 664815646 /nfs/dbraw/zinc/81/56/46/664815646.db2.gz GOAQVMRMWDLMJI-JQHSSLGASA-N 1 3 353.507 0.648 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001028551888 664902071 /nfs/dbraw/zinc/90/20/71/664902071.db2.gz AVAUJHGBKYSMMW-HRCADAONSA-N 1 3 351.495 0.180 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001028551888 664902072 /nfs/dbraw/zinc/90/20/72/664902072.db2.gz AVAUJHGBKYSMMW-HRCADAONSA-N 1 3 351.495 0.180 20 0 FCADHO CNS(=O)(=O)c1cccc(NC(=O)CNCC2CC[NH+](C)CC2)c1 ZINC000895962712 665065755 /nfs/dbraw/zinc/06/57/55/665065755.db2.gz BHTGLFVJANJHBS-UHFFFAOYSA-N 1 3 354.476 0.465 20 0 FCADHO CNC[C@@H](O)C[NH2+]C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905353751 666018243 /nfs/dbraw/zinc/01/82/43/666018243.db2.gz JKZHKZNTLFLUMJ-AEFFLSMTSA-N 1 3 351.447 0.320 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000913330692 666521946 /nfs/dbraw/zinc/52/19/46/666521946.db2.gz IBOWIYDSFQIBQV-IBGZPJMESA-N 1 3 353.507 0.937 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000913330692 666521949 /nfs/dbraw/zinc/52/19/49/666521949.db2.gz IBOWIYDSFQIBQV-IBGZPJMESA-N 1 3 353.507 0.937 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000939884974 666530775 /nfs/dbraw/zinc/53/07/75/666530775.db2.gz XQGAAXXUQLAKKK-BFYDXBDKSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC000941216028 666593659 /nfs/dbraw/zinc/59/36/59/666593659.db2.gz CLSPFKWMJVYLID-BRWVUGGUSA-N 1 3 352.523 0.974 20 0 FCADHO CC(C)[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC000941216028 666593661 /nfs/dbraw/zinc/59/36/61/666593661.db2.gz CLSPFKWMJVYLID-BRWVUGGUSA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000992390542 666635678 /nfs/dbraw/zinc/63/56/78/666635678.db2.gz FHFNOOOXUVEUKC-DLBZAZTESA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCC(C)CC3)C2)CC[N@H+]1C ZINC000992390542 666635680 /nfs/dbraw/zinc/63/56/80/666635680.db2.gz FHFNOOOXUVEUKC-DLBZAZTESA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCCN3CC)C2)CC[N@@H+]1C ZINC000992402443 666636401 /nfs/dbraw/zinc/63/64/01/666636401.db2.gz XUTPBCBVDUMHMA-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCCN3CC)C2)CC[N@H+]1C ZINC000992402443 666636405 /nfs/dbraw/zinc/63/64/05/666636405.db2.gz XUTPBCBVDUMHMA-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+](C)CC1(O)CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000913680668 666641294 /nfs/dbraw/zinc/64/12/94/666641294.db2.gz YIJAENQNAVNZFJ-UHFFFAOYSA-N 1 3 353.507 0.937 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCCN(CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC000961370876 674759381 /nfs/dbraw/zinc/75/93/81/674759381.db2.gz FJRDCLRUPVXLRM-DJIMGWMZSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCCN(CC(N)=O)C3)CC2)CC[N@H+]1C ZINC000961370876 674759385 /nfs/dbraw/zinc/75/93/85/674759385.db2.gz FJRDCLRUPVXLRM-DJIMGWMZSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCCN(CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC000961370880 674759495 /nfs/dbraw/zinc/75/94/95/674759495.db2.gz FJRDCLRUPVXLRM-HYVNUMGLSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCCN(CC(N)=O)C3)CC2)CC[N@H+]1C ZINC000961370880 674759496 /nfs/dbraw/zinc/75/94/96/674759496.db2.gz FJRDCLRUPVXLRM-HYVNUMGLSA-N 1 3 350.507 0.763 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000734274696 666958487 /nfs/dbraw/zinc/95/84/87/666958487.db2.gz LIYDVCQENMZMIR-NVXWUHKLSA-N 1 3 354.495 0.602 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000999188784 667230209 /nfs/dbraw/zinc/23/02/09/667230209.db2.gz CNYMLRIZSBFEJT-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000999188784 667230211 /nfs/dbraw/zinc/23/02/11/667230211.db2.gz CNYMLRIZSBFEJT-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001002859210 667571799 /nfs/dbraw/zinc/57/17/99/667571799.db2.gz KPTVLHWIYHECSD-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001002859210 667571800 /nfs/dbraw/zinc/57/18/00/667571800.db2.gz KPTVLHWIYHECSD-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)N(C)C ZINC001003747298 667627962 /nfs/dbraw/zinc/62/79/62/667627962.db2.gz YLRWSBPSBVSJMR-VQHPVUNQSA-N 1 3 350.507 0.917 20 0 FCADHO CC(=O)Nc1ccc(OC[C@H](O)CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000923287687 667822347 /nfs/dbraw/zinc/82/23/47/667822347.db2.gz VTFDWQICQXWVOL-QGZVFWFLSA-N 1 3 350.463 0.222 20 0 FCADHO NCC(C[NH3+])NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000923358726 667827198 /nfs/dbraw/zinc/82/71/98/667827198.db2.gz GCVLHKBHNPLMBC-MRXNPFEDSA-N 1 3 353.898 0.469 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCN2CCOC2=O)CC1 ZINC000738877794 667931085 /nfs/dbraw/zinc/93/10/85/667931085.db2.gz UTKILJMVGLQTJG-UHFFFAOYSA-N 1 3 354.495 0.999 20 0 FCADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820810473 669130986 /nfs/dbraw/zinc/13/09/86/669130986.db2.gz XLLJEFGHBYMLAF-UONOGXRCSA-N 1 3 353.488 0.938 20 0 FCADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)C(=O)N1CCCNCC1 ZINC000842088601 670632854 /nfs/dbraw/zinc/63/28/54/670632854.db2.gz RJEGEDIAAROPAM-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000842192417 670646401 /nfs/dbraw/zinc/64/64/01/670646401.db2.gz RXQIQBSUVOSSEI-GOSISDBHSA-N 1 3 364.515 0.358 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000842192420 670646623 /nfs/dbraw/zinc/64/66/23/670646623.db2.gz RXQIQBSUVOSSEI-SFHVURJKSA-N 1 3 364.515 0.358 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968011456 675178296 /nfs/dbraw/zinc/17/82/96/675178296.db2.gz CDMCAZHJAHWWRV-XYPHTWIQSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968011456 675178299 /nfs/dbraw/zinc/17/82/99/675178299.db2.gz CDMCAZHJAHWWRV-XYPHTWIQSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968016047 675178457 /nfs/dbraw/zinc/17/84/57/675178457.db2.gz UUDMDZZLNMUNOC-GDBMZVCRSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968016047 675178459 /nfs/dbraw/zinc/17/84/59/675178459.db2.gz UUDMDZZLNMUNOC-GDBMZVCRSA-N 1 3 350.507 0.870 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852063885 671484844 /nfs/dbraw/zinc/48/48/44/671484844.db2.gz SZBWARRHIFKCGG-IXDOHACOSA-N 1 3 352.479 0.402 20 0 FCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000852741647 671522745 /nfs/dbraw/zinc/52/27/45/671522745.db2.gz XRBGCJSGZGLOFT-HNNXBMFYSA-N 1 3 354.495 0.997 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC000903522601 675938109 /nfs/dbraw/zinc/93/81/09/675938109.db2.gz UEBVHBNHBSNUMM-PBHICJAKSA-N 1 3 350.488 0.601 20 0 FCADHO CCS(=O)(=O)N(C)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903729419 675964582 /nfs/dbraw/zinc/96/45/82/675964582.db2.gz MPPFPRDBFVKFKR-INIZCTEOSA-N 1 3 359.536 0.891 20 0 FCADHO CN(C[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758441 675968957 /nfs/dbraw/zinc/96/89/57/675968957.db2.gz JYTYXKUZYNPKNG-HZPDHXFCSA-N 1 3 359.536 0.749 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])c1 ZINC000863764571 672151459 /nfs/dbraw/zinc/15/14/59/672151459.db2.gz DTHSAEZBPHBUHH-AWEZNQCLSA-N 1 3 350.463 0.391 20 0 FCADHO COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)C2CNC2)c1 ZINC000923604142 672348789 /nfs/dbraw/zinc/34/87/89/672348789.db2.gz SUFMLPBVDLFRKS-UHFFFAOYSA-N 1 3 357.476 0.035 20 0 FCADHO COCC[N@@H+](C)CCOc1cccc(CNS(=O)(=O)C2CNC2)c1 ZINC000923604142 672348793 /nfs/dbraw/zinc/34/87/93/672348793.db2.gz SUFMLPBVDLFRKS-UHFFFAOYSA-N 1 3 357.476 0.035 20 0 FCADHO CN1CCN(C2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)CC1 ZINC000868355770 672395444 /nfs/dbraw/zinc/39/54/44/672395444.db2.gz NXWUXTYETQHGIO-GOSISDBHSA-N 1 3 369.579 0.845 20 0 FCADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923637179 672654770 /nfs/dbraw/zinc/65/47/70/672654770.db2.gz URQQIIVHPGIAMB-QZTJIDSGSA-N 1 3 366.531 0.809 20 0 FCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247437 673106684 /nfs/dbraw/zinc/10/66/84/673106684.db2.gz ACGDEQPMJKNEJX-HNNXBMFYSA-N 1 3 350.507 0.907 20 0 FCADHO CN1CC[NH+](C2CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000879592086 673129575 /nfs/dbraw/zinc/12/95/75/673129575.db2.gz DDMBJTVAJHDBNS-UHFFFAOYSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000889333129 673403403 /nfs/dbraw/zinc/40/34/03/673403403.db2.gz UFDJODFRFIBZFZ-HRCADAONSA-N 1 3 353.511 0.663 20 0 FCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000889333129 673403407 /nfs/dbraw/zinc/40/34/07/673403407.db2.gz UFDJODFRFIBZFZ-HRCADAONSA-N 1 3 353.511 0.663 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884576175 673463251 /nfs/dbraw/zinc/46/32/51/673463251.db2.gz BKBHGEZIMFDPQI-LPHOPBHVSA-N 1 3 350.507 0.827 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884576442 673463256 /nfs/dbraw/zinc/46/32/56/673463256.db2.gz HQECXTQQWFBQLS-QWHCGFSZSA-N 1 3 364.412 0.430 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000884612843 673465902 /nfs/dbraw/zinc/46/59/02/673465902.db2.gz VVBDJWNQEYEXEV-UMPJEAMMSA-N 1 3 354.520 0.187 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285335 673512380 /nfs/dbraw/zinc/51/23/80/673512380.db2.gz OYIHRMGKHHZRDU-CYBMUJFWSA-N 1 3 360.449 0.680 20 0 FCADHO COC1CC[NH+](C2(CN3C(=O)N[C@H](CN(C)C)C3=O)CCCC2)CC1 ZINC000924610142 673759467 /nfs/dbraw/zinc/75/94/67/673759467.db2.gz YKJGMIKRKYWGNT-OAHLLOKOSA-N 1 3 352.479 0.892 20 0 FCADHO COc1cc(N2C(=O)N[C@H](CN(C)C)C2=O)ccc1OCC[NH+](C)C ZINC000927253029 673857532 /nfs/dbraw/zinc/85/75/32/673857532.db2.gz KDHCJUVFJQNDIH-CYBMUJFWSA-N 1 3 350.419 0.622 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000929646731 673969702 /nfs/dbraw/zinc/96/97/02/673969702.db2.gz TZLNTPPQUHVNTQ-UHFFFAOYSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC[N@@H+]1C ZINC001048527959 675859768 /nfs/dbraw/zinc/85/97/68/675859768.db2.gz QYPMNFIQWMNGAC-NQNKBUKLSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC[N@H+]1C ZINC001048527959 675859773 /nfs/dbraw/zinc/85/97/73/675859773.db2.gz QYPMNFIQWMNGAC-NQNKBUKLSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104291975 1169659344 /nfs/dbraw/zinc/65/93/44/1169659344.db2.gz CINNTYWLJIBLTK-ZTFGCOKTSA-N 1 3 364.534 0.927 20 0 FCADHO CC(C)N(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482731225 1192374611 /nfs/dbraw/zinc/37/46/11/1192374611.db2.gz QBQYJBPSUIGRTC-OWCLPIDISA-N 1 3 356.511 0.039 20 0 FCADHO CC(C)N(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001482731225 1192374613 /nfs/dbraw/zinc/37/46/13/1192374613.db2.gz QBQYJBPSUIGRTC-OWCLPIDISA-N 1 3 356.511 0.039 20 0 FCADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104294695 1169691895 /nfs/dbraw/zinc/69/18/95/1169691895.db2.gz XZRRNAPTIYTCLF-HZSPNIEDSA-N 1 3 367.494 0.128 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581474654 1170364010 /nfs/dbraw/zinc/36/40/10/1170364010.db2.gz BJAFIDOICGBIJO-MRXNPFEDSA-N 1 3 362.474 0.867 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001022037910 1170459425 /nfs/dbraw/zinc/45/94/25/1170459425.db2.gz DXLAHDRNURZQQS-RCCFBDPRSA-N 1 3 362.518 0.728 20 0 FCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC1 ZINC001691230121 1170875024 /nfs/dbraw/zinc/87/50/24/1170875024.db2.gz SFCTZDZSJIYWFX-JKSUJKDBSA-N 1 3 366.506 0.204 20 0 FCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001691251212 1170890767 /nfs/dbraw/zinc/89/07/67/1170890767.db2.gz PGZBZYWTLYOTMD-ZNMIVQPWSA-N 1 3 366.506 0.644 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N1CCCCC1 ZINC000842015410 1192853160 /nfs/dbraw/zinc/85/31/60/1192853160.db2.gz KZPDMNDFNMMKHU-RYQLBKOJSA-N 1 3 358.486 0.930 20 0 FCADHO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@@H]21 ZINC000892519223 1181710047 /nfs/dbraw/zinc/71/00/47/1181710047.db2.gz MZHQRSPSOCXJJK-YJBOKZPZSA-N 1 3 369.473 0.962 20 0 FCADHO C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@@H]21 ZINC000892519223 1181710053 /nfs/dbraw/zinc/71/00/53/1181710053.db2.gz MZHQRSPSOCXJJK-YJBOKZPZSA-N 1 3 369.473 0.962 20 0 FCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000892524877 1181729751 /nfs/dbraw/zinc/72/97/51/1181729751.db2.gz QTMQBKNXHJAXJV-HNNXBMFYSA-N 1 3 357.462 0.819 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972994161 1181863554 /nfs/dbraw/zinc/86/35/54/1181863554.db2.gz HZZVIIBOQOEKSM-KBAYOESNSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)N2CCCNCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000311405935 1182302197 /nfs/dbraw/zinc/30/21/97/1182302197.db2.gz WKTKNUFLUCMTHF-FQEVSTJZSA-N 1 3 358.486 0.837 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)N2CCCNCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311405935 1182302201 /nfs/dbraw/zinc/30/22/01/1182302201.db2.gz WKTKNUFLUCMTHF-FQEVSTJZSA-N 1 3 358.486 0.837 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063295 1182878107 /nfs/dbraw/zinc/87/81/07/1182878107.db2.gz DUZXIVSYJSKEFD-SVMUCYCZSA-N 1 3 368.481 0.267 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001026063295 1182878108 /nfs/dbraw/zinc/87/81/08/1182878108.db2.gz DUZXIVSYJSKEFD-SVMUCYCZSA-N 1 3 368.481 0.267 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001105067034 1183100835 /nfs/dbraw/zinc/10/08/35/1183100835.db2.gz KAQVIPKQZJHPMD-KZNAEPCWSA-N 1 3 365.522 0.658 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CCC1 ZINC000974592831 1183370646 /nfs/dbraw/zinc/37/06/46/1183370646.db2.gz PAYGXFHXIKEREP-NVXWUHKLSA-N 1 3 360.502 0.626 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000975201990 1183760439 /nfs/dbraw/zinc/76/04/39/1183760439.db2.gz AZHBLMNFMDOAGK-CGTJXYLNSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)N(C)C ZINC000975778971 1185732370 /nfs/dbraw/zinc/73/23/70/1185732370.db2.gz FTUANIKFRDRNRQ-BBWFWOEESA-N 1 3 362.518 0.872 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976109676 1185887145 /nfs/dbraw/zinc/88/71/45/1185887145.db2.gz KLHMWUZZPAVPBK-VYDXJSESSA-N 1 3 359.474 0.743 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976109676 1185887147 /nfs/dbraw/zinc/88/71/47/1185887147.db2.gz KLHMWUZZPAVPBK-VYDXJSESSA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112529735 1186090010 /nfs/dbraw/zinc/09/00/10/1186090010.db2.gz MMIMYARMFHMKRQ-GUXCAODWSA-N 1 3 362.518 0.825 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784918 1186520964 /nfs/dbraw/zinc/52/09/64/1186520964.db2.gz WLFJTHUUXKZAHH-IXDOHACOSA-N 1 3 362.518 0.825 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCN1CCCC1=O ZINC001087574707 1189615747 /nfs/dbraw/zinc/61/57/47/1189615747.db2.gz UEEXFGNJKIVLAH-FGTMMUONSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCN(C)C1 ZINC000895333968 1189836174 /nfs/dbraw/zinc/83/61/74/1189836174.db2.gz MZBBDQDPHDIXIQ-KRWDZBQOSA-N 1 3 367.538 0.519 20 0 FCADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896009042 1189912284 /nfs/dbraw/zinc/91/22/84/1189912284.db2.gz JNPXWPJJQWJGAC-QGZVFWFLSA-N 1 3 364.490 0.038 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)CCC1 ZINC001087992037 1190142595 /nfs/dbraw/zinc/14/25/95/1190142595.db2.gz AFMPRPGGEMGYOX-SJORKVTESA-N 1 3 362.518 0.873 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)CCC1 ZINC001087992037 1190142598 /nfs/dbraw/zinc/14/25/98/1190142598.db2.gz AFMPRPGGEMGYOX-SJORKVTESA-N 1 3 362.518 0.873 20 0 FCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010460 1190209813 /nfs/dbraw/zinc/20/98/13/1190209813.db2.gz VZBKLRZWEBTJKH-IKGGRYGDSA-N 1 3 362.518 0.907 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026129 1190260780 /nfs/dbraw/zinc/26/07/80/1190260780.db2.gz UCYLMUPTISQHAB-BBWFWOEESA-N 1 3 362.518 0.872 20 0 FCADHO COCCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532618293 1191200202 /nfs/dbraw/zinc/20/02/02/1191200202.db2.gz MRXRLQODQPPAQX-ZWKOTPCHSA-N 1 3 368.522 0.774 20 0 FCADHO CC(C)OCC[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276778854 1224150853 /nfs/dbraw/zinc/15/08/53/1224150853.db2.gz MAYBKRJZFBRTDK-HXUWFJFHSA-N 1 3 366.550 0.973 20 0 FCADHO CC(C)OCC[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276778854 1224150855 /nfs/dbraw/zinc/15/08/55/1224150855.db2.gz MAYBKRJZFBRTDK-HXUWFJFHSA-N 1 3 366.550 0.973 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@@H]2C[NH2+][C@@H]2C)cc1)C(N)=O ZINC001218385418 1224157757 /nfs/dbraw/zinc/15/77/57/1224157757.db2.gz IDQZCYWKNXJWHA-ISWURRPUSA-N 1 3 362.474 0.312 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001691582235 1193734262 /nfs/dbraw/zinc/73/42/62/1193734262.db2.gz WQJIJGOHDPJXIO-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001691582235 1193734264 /nfs/dbraw/zinc/73/42/64/1193734264.db2.gz WQJIJGOHDPJXIO-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550780616 1193787458 /nfs/dbraw/zinc/78/74/58/1193787458.db2.gz IMSXQCPJLSLUFM-DLBZAZTESA-N 1 3 367.538 0.119 20 0 FCADHO CN1CCN(c2cc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)ncn2)CC1 ZINC001218573068 1224175646 /nfs/dbraw/zinc/17/56/46/1224175646.db2.gz RLABCQOSOVMIJX-CQSZACIVSA-N 1 3 359.478 0.041 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000552940746 1193960271 /nfs/dbraw/zinc/96/02/71/1193960271.db2.gz IKLDRKBSEUDOSY-KRWDZBQOSA-N 1 3 366.506 0.300 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088792516 1194003232 /nfs/dbraw/zinc/00/32/32/1194003232.db2.gz RSSNUEUMCHCZDV-ZACQAIPSSA-N 1 3 363.506 0.697 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001088792516 1194003237 /nfs/dbraw/zinc/00/32/37/1194003237.db2.gz RSSNUEUMCHCZDV-ZACQAIPSSA-N 1 3 363.506 0.697 20 0 FCADHO COc1ccc(N)c(N(C(=O)[C@@H](N)CCC[NH3+])C2COC(C)(C)OC2)n1 ZINC001218685667 1224197046 /nfs/dbraw/zinc/19/70/46/1224197046.db2.gz ONOCEGMYJGELRH-ZDUSSCGKSA-N 1 3 367.450 0.223 20 0 FCADHO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)c1 ZINC001076604170 1194588856 /nfs/dbraw/zinc/58/88/56/1194588856.db2.gz QCGNYUYEWATGEP-OKZBNKHCSA-N 1 3 356.470 0.783 20 0 FCADHO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1COC2(CNC2)CN1 ZINC001218860209 1224241980 /nfs/dbraw/zinc/24/19/80/1224241980.db2.gz UTYHRAZLSYZDJF-QGZVFWFLSA-N 1 3 360.458 0.430 20 0 FCADHO COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218932535 1224263351 /nfs/dbraw/zinc/26/33/51/1224263351.db2.gz PXYGITIUKZKOFC-ADLMAVQZSA-N 1 3 361.398 0.397 20 0 FCADHO CCO[C@H](CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218971314 1224275418 /nfs/dbraw/zinc/27/54/18/1224275418.db2.gz XZNGGBBTXJTWKO-RCCFBDPRSA-N 1 3 369.506 0.291 20 0 FCADHO O=C(Nc1ccccc1NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cnccn1 ZINC001219020511 1224295101 /nfs/dbraw/zinc/29/51/01/1224295101.db2.gz BGOUZLHGBAPPHU-GFCCVEGCSA-N 1 3 352.398 0.476 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000910829193 1195850682 /nfs/dbraw/zinc/85/06/82/1195850682.db2.gz OLQWIWPLNGTXBF-RDJZCZTQSA-N 1 3 359.474 0.671 20 0 FCADHO CN(CCNC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)C1CC1 ZINC000911052211 1195878839 /nfs/dbraw/zinc/87/88/39/1195878839.db2.gz BPZXZKQFIMUIHV-UHFFFAOYSA-N 1 3 358.486 0.716 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000911217378 1195917363 /nfs/dbraw/zinc/91/73/63/1195917363.db2.gz BMYJWTXBTPEABN-QZTJIDSGSA-N 1 3 356.470 0.718 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911336448 1195936099 /nfs/dbraw/zinc/93/60/99/1195936099.db2.gz IUVQVMILQCPNRC-CGTJXYLNSA-N 1 3 372.469 0.097 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083654907 1196350684 /nfs/dbraw/zinc/35/06/84/1196350684.db2.gz LVUJLMRTAHRFEP-QGRXYFRJSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083654907 1196350688 /nfs/dbraw/zinc/35/06/88/1196350688.db2.gz LVUJLMRTAHRFEP-QGRXYFRJSA-N 1 3 363.502 0.591 20 0 FCADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001083668886 1196392357 /nfs/dbraw/zinc/39/23/57/1196392357.db2.gz KUQNFDIRYCIXFL-LZQZEXGQSA-N 1 3 361.486 0.602 20 0 FCADHO COC(=O)C1CN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cc2)C1 ZINC001219127258 1224363284 /nfs/dbraw/zinc/36/32/84/1224363284.db2.gz ZMOWOAQJOLVFKU-AUUYWEPGSA-N 1 3 358.442 0.433 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000992320866 1197066698 /nfs/dbraw/zinc/06/66/98/1197066698.db2.gz YJWJKRXOEKPQEC-MUKKUYKPSA-N 1 3 368.497 0.866 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC[N@H+]1C ZINC000992320866 1197066701 /nfs/dbraw/zinc/06/67/01/1197066701.db2.gz YJWJKRXOEKPQEC-MUKKUYKPSA-N 1 3 368.497 0.866 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCCC[NH3+])c(NC(C)=O)cc1OC ZINC001219226106 1224393730 /nfs/dbraw/zinc/39/37/30/1224393730.db2.gz XXTAXRSCRSQRHJ-LBPRGKRZSA-N 1 3 366.418 0.835 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106244574 1197775829 /nfs/dbraw/zinc/77/58/29/1197775829.db2.gz PWMPFIVMQRANBJ-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1)N(C)C ZINC001106313281 1197862445 /nfs/dbraw/zinc/86/24/45/1197862445.db2.gz VKGCIICHEVJCBO-BFYDXBDKSA-N 1 3 364.490 0.920 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716147 1197946856 /nfs/dbraw/zinc/94/68/56/1197946856.db2.gz KIQXYZOUGXPBND-QUCCMNQESA-N 1 3 374.529 0.479 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716147 1197946864 /nfs/dbraw/zinc/94/68/64/1197946864.db2.gz KIQXYZOUGXPBND-QUCCMNQESA-N 1 3 374.529 0.479 20 0 FCADHO COc1cc2c(cc1NC(=O)C[C@H]1CNCCO1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501589 1224489094 /nfs/dbraw/zinc/48/90/94/1224489094.db2.gz XIGOKOUQRXKLJK-VOJFVSQTSA-N 1 3 360.414 0.195 20 0 FCADHO C[C@H](CN)C[N@H+](C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181348 1199055654 /nfs/dbraw/zinc/05/56/54/1199055654.db2.gz OHDXSTGJXDAVET-KGLIPLIRSA-N 1 3 364.494 0.519 20 0 FCADHO C[C@H](CN)C[N@@H+](C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181348 1199055662 /nfs/dbraw/zinc/05/56/62/1199055662.db2.gz OHDXSTGJXDAVET-KGLIPLIRSA-N 1 3 364.494 0.519 20 0 FCADHO CC(=O)N1CCC[C@@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C1 ZINC001169605103 1199080561 /nfs/dbraw/zinc/08/05/61/1199080561.db2.gz IYTCQAUCHWWELP-GOSISDBHSA-N 1 3 360.502 0.821 20 0 FCADHO CC(=O)N1CCC[C@@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C1 ZINC001169605103 1199080567 /nfs/dbraw/zinc/08/05/67/1199080567.db2.gz IYTCQAUCHWWELP-GOSISDBHSA-N 1 3 360.502 0.821 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+]1CCCCC1 ZINC000766880138 1199100703 /nfs/dbraw/zinc/10/07/03/1199100703.db2.gz JXMNGBMJKHBQGI-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccn(-c2ccncc2)n1 ZINC001109512526 1200353258 /nfs/dbraw/zinc/35/32/58/1200353258.db2.gz MBOPLJOYLDWZSD-NJAFHUGGSA-N 1 3 371.441 0.611 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1ccn(-c2ccncc2)n1 ZINC001109512526 1200353269 /nfs/dbraw/zinc/35/32/69/1200353269.db2.gz MBOPLJOYLDWZSD-NJAFHUGGSA-N 1 3 371.441 0.611 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538504 1200371556 /nfs/dbraw/zinc/37/15/56/1200371556.db2.gz FQWFPFKVQAYHIQ-OWEAFNKSSA-N 1 3 363.502 0.996 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538504 1200371564 /nfs/dbraw/zinc/37/15/64/1200371564.db2.gz FQWFPFKVQAYHIQ-OWEAFNKSSA-N 1 3 363.502 0.996 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001110019237 1200708557 /nfs/dbraw/zinc/70/85/57/1200708557.db2.gz MFQYZZHDMCFRMM-OWSLCNJRSA-N 1 3 363.506 0.697 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001110019237 1200708566 /nfs/dbraw/zinc/70/85/66/1200708566.db2.gz MFQYZZHDMCFRMM-OWSLCNJRSA-N 1 3 363.506 0.697 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001110017823 1200709214 /nfs/dbraw/zinc/70/92/14/1200709214.db2.gz OCLYFJNUBGGBNL-OWSLCNJRSA-N 1 3 371.522 0.464 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001110017823 1200709216 /nfs/dbraw/zinc/70/92/16/1200709216.db2.gz OCLYFJNUBGGBNL-OWSLCNJRSA-N 1 3 371.522 0.464 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112586367 1200822631 /nfs/dbraw/zinc/82/26/31/1200822631.db2.gz WCUPNAOVTFOMJJ-DOXZYTNZSA-N 1 3 364.490 0.350 20 0 FCADHO C[NH+]1CCC(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000788481009 1200962569 /nfs/dbraw/zinc/96/25/69/1200962569.db2.gz NWCHFPJJGBKAEK-UHFFFAOYSA-N 1 3 360.506 0.777 20 0 FCADHO N[C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837135 1224646900 /nfs/dbraw/zinc/64/69/00/1224646900.db2.gz HWEVGCLQLMJHMO-ADLFWFRXSA-N 1 3 359.470 0.240 20 0 FCADHO N[C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837138 1224647014 /nfs/dbraw/zinc/64/70/14/1224647014.db2.gz HWEVGCLQLMJHMO-WNYOCNMUSA-N 1 3 359.470 0.240 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793902488 1201274610 /nfs/dbraw/zinc/27/46/10/1201274610.db2.gz RFWGNZVEEVEKQN-QZWWFDLISA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793902488 1201274612 /nfs/dbraw/zinc/27/46/12/1201274612.db2.gz RFWGNZVEEVEKQN-QZWWFDLISA-N 1 3 366.506 0.202 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001129918508 1201439976 /nfs/dbraw/zinc/43/99/76/1201439976.db2.gz AZLXCWJPZVKAPQ-CVEARBPZSA-N 1 3 366.510 0.777 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898201 1224673681 /nfs/dbraw/zinc/67/36/81/1224673681.db2.gz HILYNVXNZYVINY-KBPBESRZSA-N 1 3 362.409 0.165 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130047676 1201486301 /nfs/dbraw/zinc/48/63/01/1201486301.db2.gz NNWTUOCRAVGQMB-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047519 1201486726 /nfs/dbraw/zinc/48/67/26/1201486726.db2.gz FOBWDTXCFQSZLG-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130106939 1201502106 /nfs/dbraw/zinc/50/21/06/1201502106.db2.gz ARASTODJVJYPAL-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)[n-]1 ZINC001130237911 1201560839 /nfs/dbraw/zinc/56/08/39/1201560839.db2.gz JLQPURKARPVUTG-KBPBESRZSA-N 1 3 364.494 0.635 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC(C)(C)C2)[n-]1 ZINC001130237911 1201560840 /nfs/dbraw/zinc/56/08/40/1201560840.db2.gz JLQPURKARPVUTG-KBPBESRZSA-N 1 3 364.494 0.635 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cnc2[nH]ccc2c1 ZINC001220012752 1224727434 /nfs/dbraw/zinc/72/74/34/1224727434.db2.gz BKZRRYMUGLSYJL-HOTGVXAUSA-N 1 3 372.473 0.626 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607857 1202733887 /nfs/dbraw/zinc/73/38/87/1202733887.db2.gz NTMOWTNQCJEEBM-YQQAZPJKSA-N 1 3 363.506 0.823 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130736353 1202769257 /nfs/dbraw/zinc/76/92/57/1202769257.db2.gz CJMIAXKATSTESD-XYJFISCASA-N 1 3 365.522 0.805 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008168 1202842117 /nfs/dbraw/zinc/84/21/17/1202842117.db2.gz UYILAACSOOBTMP-USXIJHARSA-N 1 3 363.506 0.823 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cccnc1 ZINC001131061798 1202854307 /nfs/dbraw/zinc/85/43/07/1202854307.db2.gz LXCUZKUBABQNBR-IAGOWNOFSA-N 1 3 356.474 0.851 20 0 FCADHO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C)OC ZINC001131121132 1202865961 /nfs/dbraw/zinc/86/59/61/1202865961.db2.gz NTUQWHWHCWHWBG-GVDBMIGSSA-N 1 3 363.506 0.825 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131132415 1202870053 /nfs/dbraw/zinc/87/00/53/1202870053.db2.gz JUEUMLLRFSKLTR-ZACQAIPSSA-N 1 3 363.506 0.561 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001131519560 1202909027 /nfs/dbraw/zinc/90/90/27/1202909027.db2.gz RKCSVEXSAPIYJP-NUJGCVRESA-N 1 3 368.522 0.448 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001131562579 1202914504 /nfs/dbraw/zinc/91/45/04/1202914504.db2.gz ZSLLFGHRWHAIPS-OGWOLHLISA-N 1 3 366.506 0.060 20 0 FCADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001131570658 1202915228 /nfs/dbraw/zinc/91/52/28/1202915228.db2.gz LXIZPYYAZUWAAZ-MHORFTMASA-N 1 3 371.522 0.320 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001131583190 1202917984 /nfs/dbraw/zinc/91/79/84/1202917984.db2.gz UTHREZVQCIDZJQ-LESCRADOSA-N 1 3 368.522 0.448 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086712024 1202995732 /nfs/dbraw/zinc/99/57/32/1202995732.db2.gz MDJJISBBILIZDT-BBWFWOEESA-N 1 3 365.522 0.761 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NCCNCC(=O)NCC2CC2)[C@@H](c2ccccc2)C1 ZINC001134121373 1203014819 /nfs/dbraw/zinc/01/48/19/1203014819.db2.gz ZKNYWWJLGGSMHO-MSOLQXFVSA-N 1 3 358.486 0.564 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NCCNCC(=O)NCC2CC2)[C@@H](c2ccccc2)C1 ZINC001134121373 1203014823 /nfs/dbraw/zinc/01/48/23/1203014823.db2.gz ZKNYWWJLGGSMHO-MSOLQXFVSA-N 1 3 358.486 0.564 20 0 FCADHO C[C@@H](NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126430 1203015648 /nfs/dbraw/zinc/01/56/48/1203015648.db2.gz QEDGCHLKCGRVHM-OLMNPRSZSA-N 1 3 358.486 0.705 20 0 FCADHO C[C@@H](NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)NC1CC1 ZINC001134126430 1203015651 /nfs/dbraw/zinc/01/56/51/1203015651.db2.gz QEDGCHLKCGRVHM-OLMNPRSZSA-N 1 3 358.486 0.705 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000817926531 1203126725 /nfs/dbraw/zinc/12/67/25/1203126725.db2.gz MGUZMRUSLPURDH-RTBURBONSA-N 1 3 372.513 0.830 20 0 FCADHO O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354659 1224839813 /nfs/dbraw/zinc/83/98/13/1224839813.db2.gz VSTOWZHHHZLLGT-PFRQMTDMSA-N 1 3 373.453 0.693 20 0 FCADHO CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358036 1224842279 /nfs/dbraw/zinc/84/22/79/1224842279.db2.gz OKRRSECYPWCEEP-KSZLIROESA-N 1 3 374.485 0.465 20 0 FCADHO C[C@H](C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)N1CCCC1 ZINC001273448832 1204848517 /nfs/dbraw/zinc/84/85/17/1204848517.db2.gz CMLITPATLGSQCR-WBVHZDCISA-N 1 3 362.518 0.872 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2NCc2ccnn2C)cn1 ZINC001087009516 1204897281 /nfs/dbraw/zinc/89/72/81/1204897281.db2.gz KEFQEEDXIONOJM-FHLIZLRMSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCc2ccnn2C)cn1 ZINC001087009516 1204897282 /nfs/dbraw/zinc/89/72/82/1204897282.db2.gz KEFQEEDXIONOJM-FHLIZLRMSA-N 1 3 371.489 0.190 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059604 1204943860 /nfs/dbraw/zinc/94/38/60/1204943860.db2.gz LZGBGNGGSSCURS-NXHRZFHOSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083923 1204972690 /nfs/dbraw/zinc/97/26/90/1204972690.db2.gz XWPPYUDEVZSZNS-KBAYOESNSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087084854 1204974313 /nfs/dbraw/zinc/97/43/13/1204974313.db2.gz VYEAFERXQAEVAQ-HYVNUMGLSA-N 1 3 366.510 0.591 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011505 1205112653 /nfs/dbraw/zinc/11/26/53/1205112653.db2.gz XQQVHITXYDXTMB-QKLQHJQFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011505 1205112657 /nfs/dbraw/zinc/11/26/57/1205112657.db2.gz XQQVHITXYDXTMB-QKLQHJQFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049344 1205140071 /nfs/dbraw/zinc/14/00/71/1205140071.db2.gz AFBYTJBFRVYEGM-ZTQAJYAQSA-N 1 3 371.485 0.886 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049344 1205140073 /nfs/dbraw/zinc/14/00/73/1205140073.db2.gz AFBYTJBFRVYEGM-ZTQAJYAQSA-N 1 3 371.485 0.886 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198918 1205196190 /nfs/dbraw/zinc/19/61/90/1205196190.db2.gz BUCJUWWVDKCYIQ-FCEWJHQRSA-N 1 3 363.506 0.134 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198918 1205196196 /nfs/dbraw/zinc/19/61/96/1205196196.db2.gz BUCJUWWVDKCYIQ-FCEWJHQRSA-N 1 3 363.506 0.134 20 0 FCADHO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220456355 1224879172 /nfs/dbraw/zinc/87/91/72/1224879172.db2.gz LOBGGZBACYIIFO-JTDSTZFVSA-N 1 3 361.442 0.060 20 0 FCADHO CCN1CC[C@@H](N2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)C1=O ZINC001092775931 1205354955 /nfs/dbraw/zinc/35/49/55/1205354955.db2.gz NSKPUOYFWGAPIQ-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCCO[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220478650 1224885591 /nfs/dbraw/zinc/88/55/91/1224885591.db2.gz GGNJEHWOUNRTLZ-KURKYZTESA-N 1 3 369.506 0.075 20 0 FCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481958 1224887457 /nfs/dbraw/zinc/88/74/57/1224887457.db2.gz XFBSYUJSZFGGNX-DODZYUBVSA-N 1 3 365.474 0.632 20 0 FCADHO [NH3+]C[C@@H](O)CC(=O)NC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220533970 1224911289 /nfs/dbraw/zinc/91/12/89/1224911289.db2.gz VCZVSMAJUSJTOL-VQTJNVASSA-N 1 3 371.481 0.876 20 0 FCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225600 1206063256 /nfs/dbraw/zinc/06/32/56/1206063256.db2.gz PKHXIHPPWPHNEL-ZACQAIPSSA-N 1 3 365.522 0.570 20 0 FCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225600 1206063260 /nfs/dbraw/zinc/06/32/60/1206063260.db2.gz PKHXIHPPWPHNEL-ZACQAIPSSA-N 1 3 365.522 0.570 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225599 1206063529 /nfs/dbraw/zinc/06/35/29/1206063529.db2.gz PKHXIHPPWPHNEL-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001093225599 1206063531 /nfs/dbraw/zinc/06/35/31/1206063531.db2.gz PKHXIHPPWPHNEL-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)n1C ZINC001094042377 1206174074 /nfs/dbraw/zinc/17/40/74/1206174074.db2.gz STFDPXZXGAEFBG-BZUAXINKSA-N 1 3 362.522 0.903 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)n1C ZINC001094042377 1206174077 /nfs/dbraw/zinc/17/40/77/1206174077.db2.gz STFDPXZXGAEFBG-BZUAXINKSA-N 1 3 362.522 0.903 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094043958 1206174769 /nfs/dbraw/zinc/17/47/69/1206174769.db2.gz FMLVPHLPGXKYDV-RBSFLKMASA-N 1 3 364.490 0.208 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181588608 1206411979 /nfs/dbraw/zinc/41/19/79/1206411979.db2.gz OFLVAXHYVGKFEQ-PTCFPADLSA-N 1 3 373.494 0.071 20 0 FCADHO CN1CCC(O)(C(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)CC1 ZINC001182035801 1206419211 /nfs/dbraw/zinc/41/92/11/1206419211.db2.gz FPFVZOHXYWHZNZ-UHFFFAOYSA-N 1 3 361.446 0.206 20 0 FCADHO CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001273546561 1207386023 /nfs/dbraw/zinc/38/60/23/1207386023.db2.gz ABLIPUMVWMMQSZ-LJQANCHMSA-N 1 3 368.522 0.357 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188964182 1207493431 /nfs/dbraw/zinc/49/34/31/1207493431.db2.gz YLLOBYKUDVRTEH-DLBZAZTESA-N 1 3 360.506 0.769 20 0 FCADHO CN(CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290372 1207935411 /nfs/dbraw/zinc/93/54/11/1207935411.db2.gz UETFFMNHQPPUAB-KZNAEPCWSA-N 1 3 362.474 0.638 20 0 FCADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185104 1208060083 /nfs/dbraw/zinc/06/00/83/1208060083.db2.gz PHUZLLCNVPZTEL-RTBURBONSA-N 1 3 363.502 0.992 20 0 FCADHO Cc1cccc(CCCN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826013 1208201593 /nfs/dbraw/zinc/20/15/93/1208201593.db2.gz MDFXPBHRTJICEA-RTBURBONSA-N 1 3 363.502 0.667 20 0 FCADHO CCN(CC)CC(=O)N1Cc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273788688 1208372099 /nfs/dbraw/zinc/37/20/99/1208372099.db2.gz LIHLATJJHKREJL-UHFFFAOYSA-N 1 3 362.478 0.418 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1 ZINC001691701371 1208418467 /nfs/dbraw/zinc/41/84/67/1208418467.db2.gz PKESHLBOQBPANW-RCCFBDPRSA-N 1 3 363.506 0.559 20 0 FCADHO Cc1cccc(CCCN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768447 1225063301 /nfs/dbraw/zinc/06/33/01/1225063301.db2.gz MDFXPBHRTJICEA-MOPGFXCFSA-N 1 3 363.502 0.667 20 0 FCADHO CC(C)[NH+]1CCN(CC(=O)N2CC3(CN(CCn4ccnc4)C3)C2)CC1 ZINC001273847667 1208426518 /nfs/dbraw/zinc/42/65/18/1208426518.db2.gz IGIUDOOHGHCERX-UHFFFAOYSA-N 1 3 360.506 0.053 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1O ZINC001489381265 1208803272 /nfs/dbraw/zinc/80/32/72/1208803272.db2.gz AAUVWMAELBCZDO-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1O ZINC001489381265 1208803275 /nfs/dbraw/zinc/80/32/75/1208803275.db2.gz AAUVWMAELBCZDO-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C2CCN(Cc3ccncc3)CC2)C[NH2+]C1 ZINC001220825396 1225090205 /nfs/dbraw/zinc/09/02/05/1225090205.db2.gz GEIVWZQRQVZELN-UHFFFAOYSA-N 1 3 358.442 0.830 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OC ZINC001489535231 1208896631 /nfs/dbraw/zinc/89/66/31/1208896631.db2.gz MLMUBXMKOXUDLM-KLHDSHLOSA-N 1 3 354.495 0.010 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OC ZINC001489535231 1208896633 /nfs/dbraw/zinc/89/66/33/1208896633.db2.gz MLMUBXMKOXUDLM-KLHDSHLOSA-N 1 3 354.495 0.010 20 0 FCADHO CCOC(=O)C1(NC(=O)C2(N)CC[NH+](Cc3ccccc3)CC2)CNC1 ZINC001220850949 1225106119 /nfs/dbraw/zinc/10/61/19/1225106119.db2.gz BHWDKAJEXHCCAL-UHFFFAOYSA-N 1 3 360.458 0.001 20 0 FCADHO C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000851883630 1209523624 /nfs/dbraw/zinc/52/36/24/1209523624.db2.gz WSZLQKQAEMYIRJ-POAQFYNOSA-N 1 3 360.502 0.317 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748867 1209562507 /nfs/dbraw/zinc/56/25/07/1209562507.db2.gz FKQFPUSDTGANKE-DOTOQJQBSA-N 1 3 366.506 0.997 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(CCCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000863550921 1209945288 /nfs/dbraw/zinc/94/52/88/1209945288.db2.gz FLVZXAQRRBUPAR-KRWDZBQOSA-N 1 3 370.538 0.976 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030195 1225192336 /nfs/dbraw/zinc/19/23/36/1225192336.db2.gz BJVWIJPZRVQXCU-CVEARBPZSA-N 1 3 365.453 0.758 20 0 FCADHO O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1COC2(CNC2)CN1 ZINC001221030654 1225192793 /nfs/dbraw/zinc/19/27/93/1225192793.db2.gz HHBYPCTVTZRSDT-SJORKVTESA-N 1 3 362.449 0.313 20 0 FCADHO Cc1c(C(=O)NC[C@H]2Cc3ccccc3CN2)nnn1C1CC[NH2+]CC1 ZINC000877347698 1210444322 /nfs/dbraw/zinc/44/43/22/1210444322.db2.gz OKMCGKXHLQQALZ-MRXNPFEDSA-N 1 3 354.458 0.955 20 0 FCADHO O=C(CN1CC[C@@H](CF)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CF)C2)CC1 ZINC000880292765 1210526976 /nfs/dbraw/zinc/52/69/76/1210526976.db2.gz VKLXNZNORZJIIO-HOTGVXAUSA-N 1 3 372.460 0.240 20 0 FCADHO O=C(CN1CC[C@@H](CF)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1 ZINC000880292765 1210526979 /nfs/dbraw/zinc/52/69/79/1210526979.db2.gz VKLXNZNORZJIIO-HOTGVXAUSA-N 1 3 372.460 0.240 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439160 1210667063 /nfs/dbraw/zinc/66/70/63/1210667063.db2.gz KGSQIGCGBAFMNY-VVLHAWIVSA-N 1 3 365.474 0.829 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)CC1 ZINC000883659809 1210682754 /nfs/dbraw/zinc/68/27/54/1210682754.db2.gz UCRRSQZXOMWSEG-KRWDZBQOSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH2+]CCOc1cccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000884341475 1210731437 /nfs/dbraw/zinc/73/14/37/1210731437.db2.gz YNGRMLWQDIEREI-INIZCTEOSA-N 1 3 358.446 0.812 20 0 FCADHO CCC1([NH3+])CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000884656886 1210774489 /nfs/dbraw/zinc/77/44/89/1210774489.db2.gz YXWXVNRITAPDDO-UHFFFAOYSA-N 1 3 368.522 0.722 20 0 FCADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000884706106 1210784830 /nfs/dbraw/zinc/78/48/30/1210784830.db2.gz RXSGIONRZCLRJO-GOEBONIOSA-N 1 3 368.522 0.842 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000885167995 1210814549 /nfs/dbraw/zinc/81/45/49/1210814549.db2.gz RZURUCXOPVBAQO-RTBURBONSA-N 1 3 370.497 0.904 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000890283995 1210854019 /nfs/dbraw/zinc/85/40/19/1210854019.db2.gz RYRJAVRFKWZKHA-MAUKXSAKSA-N 1 3 373.501 0.976 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000890283995 1210854020 /nfs/dbraw/zinc/85/40/20/1210854020.db2.gz RYRJAVRFKWZKHA-MAUKXSAKSA-N 1 3 373.501 0.976 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090877 1210878762 /nfs/dbraw/zinc/87/87/62/1210878762.db2.gz LPHBOVDBNQCMGW-IAGOWNOFSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397815 1211044195 /nfs/dbraw/zinc/04/41/95/1211044195.db2.gz TVTVZBZYTBBPSM-KSZLIROESA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001274397815 1211044198 /nfs/dbraw/zinc/04/41/98/1211044198.db2.gz TVTVZBZYTBBPSM-KSZLIROESA-N 1 3 364.534 0.975 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2CC1 ZINC001274419194 1211049920 /nfs/dbraw/zinc/04/99/20/1211049920.db2.gz QZSYSIQRQOTBIJ-FGTMMUONSA-N 1 3 362.518 0.587 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143003 1211179318 /nfs/dbraw/zinc/17/93/18/1211179318.db2.gz QLKNPXQSKTYUNN-AZUAARDMSA-N 1 3 364.534 0.585 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143003 1211179320 /nfs/dbraw/zinc/17/93/20/1211179320.db2.gz QLKNPXQSKTYUNN-AZUAARDMSA-N 1 3 364.534 0.585 20 0 FCADHO COc1cccnc1CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275380237 1211226550 /nfs/dbraw/zinc/22/65/50/1211226550.db2.gz PELCFUPEDYIOPV-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO COc1ccc(CN2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275500837 1211251432 /nfs/dbraw/zinc/25/14/32/1211251432.db2.gz SIEIDWQTQMGVAW-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO O=C1COCC2(CN(CC3CC[NH2+]CC3)C2)N1CCc1ccc(O)cc1 ZINC001275736882 1211278852 /nfs/dbraw/zinc/27/88/52/1211278852.db2.gz IAEUAUQNYREMOO-UHFFFAOYSA-N 1 3 359.470 0.848 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789660 1211283907 /nfs/dbraw/zinc/28/39/07/1211283907.db2.gz JAQMXZFMBQKAKH-HXUWFJFHSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@H+]3CC3(C)COC3)C2=O)CC1 ZINC001275789660 1211283908 /nfs/dbraw/zinc/28/39/08/1211283908.db2.gz JAQMXZFMBQKAKH-HXUWFJFHSA-N 1 3 364.534 0.727 20 0 FCADHO COCCOCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCCN(C)C3)C2)C1=O ZINC001275877556 1211303729 /nfs/dbraw/zinc/30/37/29/1211303729.db2.gz DAJKVWFRDKKVFA-VQIMIIECSA-N 1 3 367.490 0.790 20 0 FCADHO COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCCN(C)C3)C2)C1=O ZINC001275877556 1211303732 /nfs/dbraw/zinc/30/37/32/1211303732.db2.gz DAJKVWFRDKKVFA-VQIMIIECSA-N 1 3 367.490 0.790 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371304405 1211335464 /nfs/dbraw/zinc/33/54/64/1211335464.db2.gz SZDGAGWQIYGIIH-OKZBNKHCSA-N 1 3 367.538 0.375 20 0 FCADHO CC(C)[C@@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)N1CCN(C)CC1 ZINC000924457076 1211470298 /nfs/dbraw/zinc/47/02/98/1211470298.db2.gz PIBISLPDWDWJGH-DLBZAZTESA-N 1 3 365.522 0.665 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926347192 1211536444 /nfs/dbraw/zinc/53/64/44/1211536444.db2.gz DFECZISULAPIJN-IPMKNSEASA-N 1 3 370.497 0.787 20 0 FCADHO Cc1ccc(N2C(=O)N[C@@H](CN(C)C)C2=O)cc1NC(=O)CC[NH+](C)C ZINC000927218383 1211567670 /nfs/dbraw/zinc/56/76/70/1211567670.db2.gz ZYYWEEVULXEPBK-HNNXBMFYSA-N 1 3 361.446 0.872 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000931021318 1211735318 /nfs/dbraw/zinc/73/53/18/1211735318.db2.gz HCCOUGNQMPQRCM-MRXNPFEDSA-N 1 3 366.506 0.204 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000931021316 1211735543 /nfs/dbraw/zinc/73/55/43/1211735543.db2.gz HCCOUGNQMPQRCM-INIZCTEOSA-N 1 3 366.506 0.204 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1ccccn1)C1CC1 ZINC000931919931 1211783581 /nfs/dbraw/zinc/78/35/81/1211783581.db2.gz NECXMHARMNNQEK-KRWDZBQOSA-N 1 3 361.490 0.601 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935365658 1211876767 /nfs/dbraw/zinc/87/67/67/1211876767.db2.gz KBTIIRJHLLPJGO-GVDBMIGSSA-N 1 3 368.522 0.325 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935365658 1211876769 /nfs/dbraw/zinc/87/67/69/1211876769.db2.gz KBTIIRJHLLPJGO-GVDBMIGSSA-N 1 3 368.522 0.325 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001111297599 1212479752 /nfs/dbraw/zinc/47/97/52/1212479752.db2.gz LOJYNOBZQJMLLL-TVFCKZIOSA-N 1 3 363.506 0.697 20 0 FCADHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824106 1225417048 /nfs/dbraw/zinc/41/70/48/1225417048.db2.gz LQRGBHFUVVUJJY-AZUAARDMSA-N 1 3 366.550 0.708 20 0 FCADHO CC(C)[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276824106 1225417052 /nfs/dbraw/zinc/41/70/52/1225417052.db2.gz LQRGBHFUVVUJJY-AZUAARDMSA-N 1 3 366.550 0.708 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957083254 1213247838 /nfs/dbraw/zinc/24/78/38/1213247838.db2.gz RHIRIHURQGMDJJ-ZACQAIPSSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)CC[N@@H+]1C ZINC001010682003 1213808330 /nfs/dbraw/zinc/80/83/30/1213808330.db2.gz MLZHVCQQGHOHLR-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)CC[N@H+]1C ZINC001010682003 1213808332 /nfs/dbraw/zinc/80/83/32/1213808332.db2.gz MLZHVCQQGHOHLR-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO CC(C)[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825631 1225505026 /nfs/dbraw/zinc/50/50/26/1225505026.db2.gz WIXQYOUETYDHCO-AZUAARDMSA-N 1 3 366.550 0.565 20 0 FCADHO CC(C)[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825631 1225505029 /nfs/dbraw/zinc/50/50/29/1225505029.db2.gz WIXQYOUETYDHCO-AZUAARDMSA-N 1 3 366.550 0.565 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040182891 1214472781 /nfs/dbraw/zinc/47/27/81/1214472781.db2.gz WFPUEJFMQPCOEJ-SPYBWZPUSA-N 1 3 368.522 0.137 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040182891 1214472786 /nfs/dbraw/zinc/47/27/86/1214472786.db2.gz WFPUEJFMQPCOEJ-SPYBWZPUSA-N 1 3 368.522 0.137 20 0 FCADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221958259 1225553329 /nfs/dbraw/zinc/55/33/29/1225553329.db2.gz MTJGFLUHLOKYOY-KZNAEPCWSA-N 1 3 363.506 0.509 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962593 1225554294 /nfs/dbraw/zinc/55/42/94/1225554294.db2.gz LVIMOFOVDKZSPJ-QZTJIDSGSA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCCOC)C[C@H]21 ZINC001221969098 1225556651 /nfs/dbraw/zinc/55/66/51/1225556651.db2.gz QEULQKKTGZVCNE-KZNAEPCWSA-N 1 3 371.522 0.275 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCCOC)C[C@H]21 ZINC001221969098 1225556654 /nfs/dbraw/zinc/55/66/54/1225556654.db2.gz QEULQKKTGZVCNE-KZNAEPCWSA-N 1 3 371.522 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC000963757079 1214843678 /nfs/dbraw/zinc/84/36/78/1214843678.db2.gz DODJCRLTUSCDLT-YALNPMBYSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC000963757079 1214843681 /nfs/dbraw/zinc/84/36/81/1214843681.db2.gz DODJCRLTUSCDLT-YALNPMBYSA-N 1 3 359.474 0.742 20 0 FCADHO CCOCC[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276873974 1225691587 /nfs/dbraw/zinc/69/15/87/1225691587.db2.gz AGCOGUXVJFSKPY-SFHVURJKSA-N 1 3 366.550 0.879 20 0 FCADHO CCOCC[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276874273 1225691903 /nfs/dbraw/zinc/69/19/03/1225691903.db2.gz GOTIBKLPRUNUKT-UHFFFAOYSA-N 1 3 366.550 0.975 20 0 FCADHO CC(C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976549 1216879762 /nfs/dbraw/zinc/87/97/62/1216879762.db2.gz RYAJLEZOVPLNKZ-SJORKVTESA-N 1 3 366.429 0.923 20 0 FCADHO CC(C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976549 1216879764 /nfs/dbraw/zinc/87/97/64/1216879764.db2.gz RYAJLEZOVPLNKZ-SJORKVTESA-N 1 3 366.429 0.923 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CCN(CCN3CCCC3=O)[C@H]2C1 ZINC001223911325 1225744809 /nfs/dbraw/zinc/74/48/09/1225744809.db2.gz DVBYEXGVMNNNEQ-SJORKVTESA-N 1 3 366.506 0.110 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958681 1225767411 /nfs/dbraw/zinc/76/74/11/1225767411.db2.gz IQLODSIVPXQQIH-HXUWFJFHSA-N 1 3 366.550 0.567 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958681 1225767412 /nfs/dbraw/zinc/76/74/12/1225767412.db2.gz IQLODSIVPXQQIH-HXUWFJFHSA-N 1 3 366.550 0.567 20 0 FCADHO CNC(=O)CN1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276981864 1225784580 /nfs/dbraw/zinc/78/45/80/1225784580.db2.gz IKUZEJDUKABAAW-PXNSSMCTSA-N 1 3 358.486 0.612 20 0 FCADHO O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000900601302 1218011437 /nfs/dbraw/zinc/01/14/37/1218011437.db2.gz MFPZMKOMNJGERD-BTRQGYIVSA-N 1 3 365.518 0.935 20 0 FCADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000901119582 1218084121 /nfs/dbraw/zinc/08/41/21/1218084121.db2.gz SYEJTNCMHLRBOR-SJLPKXTDSA-N 1 3 363.506 0.942 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226781789 1225853930 /nfs/dbraw/zinc/85/39/30/1225853930.db2.gz AXPREWQYUUMTCM-HZPDHXFCSA-N 1 3 368.522 0.640 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001226801393 1225854702 /nfs/dbraw/zinc/85/47/02/1225854702.db2.gz WIACTUYRLAHIBF-IIDMSEBBSA-N 1 3 364.490 0.493 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226931892 1225858010 /nfs/dbraw/zinc/85/80/10/1225858010.db2.gz DHXYUMWIXSOLOZ-FMKPAKJESA-N 1 3 369.510 0.435 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000804053041 1219106114 /nfs/dbraw/zinc/10/61/14/1219106114.db2.gz IDFISEXNXPTOOC-IXDOHACOSA-N 1 3 366.506 0.204 20 0 FCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804059047 1219111721 /nfs/dbraw/zinc/11/17/21/1219111721.db2.gz JWUHPNZQGDQOLK-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804061173 1219117934 /nfs/dbraw/zinc/11/79/34/1219117934.db2.gz RURNQRWAGRSWHE-OIISXLGYSA-N 1 3 366.506 0.155 20 0 FCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000804062742 1219118064 /nfs/dbraw/zinc/11/80/64/1219118064.db2.gz KNKZNQQQCNCRAN-PMPSAXMXSA-N 1 3 368.522 0.448 20 0 FCADHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCF)CC1 ZINC001070372813 1219402133 /nfs/dbraw/zinc/40/21/33/1219402133.db2.gz IKTPQMLAXQLGCG-RYRKJORJSA-N 1 3 368.497 0.916 20 0 FCADHO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCF)CC1 ZINC001070372813 1219402135 /nfs/dbraw/zinc/40/21/35/1219402135.db2.gz IKTPQMLAXQLGCG-RYRKJORJSA-N 1 3 368.497 0.916 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C(=O)NC(N)=O ZINC001227901507 1225890212 /nfs/dbraw/zinc/89/02/12/1225890212.db2.gz YVWRFFOKGKCHSG-MGPQQGTHSA-N 1 3 367.494 0.461 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC[N@@H+]1C ZINC001071080004 1219601454 /nfs/dbraw/zinc/60/14/54/1219601454.db2.gz HUUWAIPCNJWVNT-SCNOPHJPSA-N 1 3 366.506 0.188 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC[N@H+]1C ZINC001071080004 1219601456 /nfs/dbraw/zinc/60/14/56/1219601456.db2.gz HUUWAIPCNJWVNT-SCNOPHJPSA-N 1 3 366.506 0.188 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001099446634 1220000331 /nfs/dbraw/zinc/00/03/31/1220000331.db2.gz RBXLIRYZINPPAQ-WDYCEAGBSA-N 1 3 360.506 0.874 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101375557 1220308659 /nfs/dbraw/zinc/30/86/59/1220308659.db2.gz YNRHQKYOPQJFAC-SUMDDJOVSA-N 1 3 362.474 0.928 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101375557 1220308663 /nfs/dbraw/zinc/30/86/63/1220308663.db2.gz YNRHQKYOPQJFAC-SUMDDJOVSA-N 1 3 362.474 0.928 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429939 1220339798 /nfs/dbraw/zinc/33/97/98/1220339798.db2.gz HKTYGJJOBFJEHN-MDYRTPRTSA-N 1 3 362.518 0.635 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429939 1220339804 /nfs/dbraw/zinc/33/98/04/1220339804.db2.gz HKTYGJJOBFJEHN-MDYRTPRTSA-N 1 3 362.518 0.635 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975872 1220450015 /nfs/dbraw/zinc/45/00/15/1220450015.db2.gz FCXPVNJXKAHOBS-NXHRZFHOSA-N 1 3 364.534 0.881 20 0 FCADHO COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051878 1220479033 /nfs/dbraw/zinc/47/90/33/1220479033.db2.gz RIDNSGRAMPOPJX-JFIYKMOQSA-N 1 3 371.522 0.179 20 0 FCADHO COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051878 1220479035 /nfs/dbraw/zinc/47/90/35/1220479035.db2.gz RIDNSGRAMPOPJX-JFIYKMOQSA-N 1 3 371.522 0.179 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189100 1220542271 /nfs/dbraw/zinc/54/22/71/1220542271.db2.gz WBADUCBCRVBEKV-OGWOLHLISA-N 1 3 362.518 0.824 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369703 1220597425 /nfs/dbraw/zinc/59/74/25/1220597425.db2.gz DGONYDJIXWVDQB-BRWVUGGUSA-N 1 3 367.538 0.720 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369703 1220597431 /nfs/dbraw/zinc/59/74/31/1220597431.db2.gz DGONYDJIXWVDQB-BRWVUGGUSA-N 1 3 367.538 0.720 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373210 1220599186 /nfs/dbraw/zinc/59/91/86/1220599186.db2.gz YUJNZMSOXSCQMG-ARFHVFGLSA-N 1 3 364.490 0.161 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2C)C1 ZINC001102373210 1220599192 /nfs/dbraw/zinc/59/91/92/1220599192.db2.gz YUJNZMSOXSCQMG-ARFHVFGLSA-N 1 3 364.490 0.161 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473576 1220643843 /nfs/dbraw/zinc/64/38/43/1220643843.db2.gz GTHNNVOUEQZNLH-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102473576 1220643846 /nfs/dbraw/zinc/64/38/46/1220643846.db2.gz GTHNNVOUEQZNLH-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993965 1220817416 /nfs/dbraw/zinc/81/74/16/1220817416.db2.gz NQYKESYUBNUIGG-KYJSFNMBSA-N 1 3 362.518 0.681 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089897 1220830775 /nfs/dbraw/zinc/83/07/75/1220830775.db2.gz FNYFVZPBYOOMEH-FMKPAKJESA-N 1 3 364.490 0.350 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089897 1220830777 /nfs/dbraw/zinc/83/07/77/1220830777.db2.gz FNYFVZPBYOOMEH-FMKPAKJESA-N 1 3 364.490 0.350 20 0 FCADHO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085315 1220830968 /nfs/dbraw/zinc/83/09/68/1220830968.db2.gz PRNPDSYGOTVPAB-MGPQQGTHSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085315 1220830970 /nfs/dbraw/zinc/83/09/70/1220830970.db2.gz PRNPDSYGOTVPAB-MGPQQGTHSA-N 1 3 367.494 0.128 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001103140094 1220839533 /nfs/dbraw/zinc/83/95/33/1220839533.db2.gz MUWTVOULPSHPDQ-BZUAXINKSA-N 1 3 366.506 0.550 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001103140094 1220839534 /nfs/dbraw/zinc/83/95/34/1220839534.db2.gz MUWTVOULPSHPDQ-BZUAXINKSA-N 1 3 366.506 0.550 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)N(C)C ZINC001103444837 1220884539 /nfs/dbraw/zinc/88/45/39/1220884539.db2.gz LLPMPIWHEFYTKZ-ZACQAIPSSA-N 1 3 368.522 0.260 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)N(C)C ZINC001103444837 1220884540 /nfs/dbraw/zinc/88/45/40/1220884540.db2.gz LLPMPIWHEFYTKZ-ZACQAIPSSA-N 1 3 368.522 0.260 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103663420 1220932992 /nfs/dbraw/zinc/93/29/92/1220932992.db2.gz ACPRXTBZJVTCAV-SJLPKXTDSA-N 1 3 370.538 0.555 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103663420 1220932995 /nfs/dbraw/zinc/93/29/95/1220932995.db2.gz ACPRXTBZJVTCAV-SJLPKXTDSA-N 1 3 370.538 0.555 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001103999800 1220996639 /nfs/dbraw/zinc/99/66/39/1220996639.db2.gz LHHWQEMZNKFBLP-KFWWJZLASA-N 1 3 363.462 0.782 20 0 FCADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H](C1CC1)N1CCCC1 ZINC001111817232 1221125071 /nfs/dbraw/zinc/12/50/71/1221125071.db2.gz VQUCQZZGOXTNQY-BJLQDIEVSA-N 1 3 365.518 0.840 20 0 FCADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H](C1CC1)N1CCCC1 ZINC001111817232 1221125078 /nfs/dbraw/zinc/12/50/78/1221125078.db2.gz VQUCQZZGOXTNQY-BJLQDIEVSA-N 1 3 365.518 0.840 20 0 FCADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000782588198 1221172998 /nfs/dbraw/zinc/17/29/98/1221172998.db2.gz VVZJSSRNCCPBFW-IRXDYDNUSA-N 1 3 374.485 0.709 20 0 FCADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000782588200 1221173507 /nfs/dbraw/zinc/17/35/07/1221173507.db2.gz VVZJSSRNCCPBFW-SJORKVTESA-N 1 3 374.485 0.709 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001112401580 1221252617 /nfs/dbraw/zinc/25/26/17/1221252617.db2.gz MVOXEZVYAYCHGA-YWZLYKJASA-N 1 3 362.518 0.968 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229691894 1226027517 /nfs/dbraw/zinc/02/75/17/1226027517.db2.gz BILPJRNNVKSPIT-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229691894 1226027519 /nfs/dbraw/zinc/02/75/19/1226027519.db2.gz BILPJRNNVKSPIT-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229691891 1226028057 /nfs/dbraw/zinc/02/80/57/1226028057.db2.gz BILPJRNNVKSPIT-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229691891 1226028061 /nfs/dbraw/zinc/02/80/61/1226028061.db2.gz BILPJRNNVKSPIT-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO Cn1cc([C@@H](O)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC001116146797 1221338457 /nfs/dbraw/zinc/33/84/57/1221338457.db2.gz RDHQMEURSQZXBD-KRWDZBQOSA-N 1 3 364.494 0.311 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001229877389 1226038402 /nfs/dbraw/zinc/03/84/02/1226038402.db2.gz RVTDIGAHHBWTNZ-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122009540 1222233655 /nfs/dbraw/zinc/23/36/55/1222233655.db2.gz TUARIFJIALKFKF-IBGZPJMESA-N 1 3 359.518 0.344 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ncccc1[O-])CC2 ZINC001138393294 1222504246 /nfs/dbraw/zinc/50/42/46/1222504246.db2.gz UTCPQDQXAYJKMW-UHFFFAOYSA-N 1 3 361.490 0.457 20 0 FCADHO COCCn1cc(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001139779949 1222558837 /nfs/dbraw/zinc/55/88/37/1222558837.db2.gz KIZXTAMORSEWEH-UHFFFAOYSA-N 1 3 373.501 0.854 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000841206773 1222813882 /nfs/dbraw/zinc/81/38/82/1222813882.db2.gz CSXRZKZXOPIJGB-HZPDHXFCSA-N 1 3 373.501 0.963 20 0 FCADHO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842164385 1222838614 /nfs/dbraw/zinc/83/86/14/1222838614.db2.gz JMFSSCCKOVRZPX-IAGOWNOFSA-N 1 3 366.506 0.394 20 0 FCADHO COc1cc(N(C(=O)CCN2CCN(C)CC2)C2CC[NH2+]CC2)ccn1 ZINC001143230516 1222871516 /nfs/dbraw/zinc/87/15/16/1222871516.db2.gz ATMZELCMPOXSBI-UHFFFAOYSA-N 1 3 361.490 0.813 20 0 FCADHO C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc3[nH]c(N)nc3c2)CC1 ZINC001156977431 1223064848 /nfs/dbraw/zinc/06/48/48/1223064848.db2.gz TZACZLXLYYIVCX-JOCQHMNTSA-N 1 3 358.446 0.864 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081386 1223088318 /nfs/dbraw/zinc/08/83/18/1223088318.db2.gz ADDMSTSEFPDUQF-AWEZNQCLSA-N 1 3 360.462 0.044 20 0 FCADHO N[C@@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC001158102731 1223089107 /nfs/dbraw/zinc/08/91/07/1223089107.db2.gz WFBVETGMQQQEMN-BBRMVZONSA-N 1 3 370.375 0.786 20 0 FCADHO CN[C@@H](CO)C(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138246 1223089329 /nfs/dbraw/zinc/08/93/29/1223089329.db2.gz PUEMOKBKQORCKF-MSOLQXFVSA-N 1 3 361.486 0.897 20 0 FCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167035 1223090218 /nfs/dbraw/zinc/09/02/18/1223090218.db2.gz HLTBKHNILYKZCA-BRWVUGGUSA-N 1 3 361.442 0.284 20 0 FCADHO NC1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC001158276683 1223093579 /nfs/dbraw/zinc/09/35/79/1223093579.db2.gz DHCKZRNKHLBYPJ-UHFFFAOYSA-N 1 3 352.442 0.195 20 0 FCADHO O=C(c1cncc2c1CCNC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286101 1223094211 /nfs/dbraw/zinc/09/42/11/1223094211.db2.gz QIPRVLUSEMSVJM-UHFFFAOYSA-N 1 3 353.430 0.054 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1C ZINC001158404176 1223096824 /nfs/dbraw/zinc/09/68/24/1223096824.db2.gz RJXXFUHYEXSZSO-SOUVJXGZSA-N 1 3 362.478 0.630 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@@H](C)C(=O)Nc2ncccn2)CC[N@H+]1C ZINC001158404176 1223096827 /nfs/dbraw/zinc/09/68/27/1223096827.db2.gz RJXXFUHYEXSZSO-SOUVJXGZSA-N 1 3 362.478 0.630 20 0 FCADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158416192 1223097373 /nfs/dbraw/zinc/09/73/73/1223097373.db2.gz SQUJFXZJAQUHEF-SPYBWZPUSA-N 1 3 365.474 0.431 20 0 FCADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158416192 1223097376 /nfs/dbraw/zinc/09/73/76/1223097376.db2.gz SQUJFXZJAQUHEF-SPYBWZPUSA-N 1 3 365.474 0.431 20 0 FCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533439 1223101683 /nfs/dbraw/zinc/10/16/83/1223101683.db2.gz LRNCULDDIOVNLV-FTEYMNFISA-N 1 3 359.470 0.771 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734860 1223105935 /nfs/dbraw/zinc/10/59/35/1223105935.db2.gz GVVPXBUVNZOWII-QAETUUGQSA-N 1 3 358.442 0.028 20 0 FCADHO Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC3)cn1 ZINC001158991968 1223114785 /nfs/dbraw/zinc/11/47/85/1223114785.db2.gz RXXCPPVEDDFIPI-NVXWUHKLSA-N 1 3 361.490 0.612 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001159057875 1223116037 /nfs/dbraw/zinc/11/60/37/1223116037.db2.gz OCTYIALZPFIRDF-KRWDZBQOSA-N 1 3 374.485 0.867 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159031642 1223116090 /nfs/dbraw/zinc/11/60/90/1223116090.db2.gz ZZZQNFUNAXLBRZ-INIZCTEOSA-N 1 3 359.474 0.489 20 0 FCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](N)Cc2cccc(O)c2)C1 ZINC001159135759 1223118569 /nfs/dbraw/zinc/11/85/69/1223118569.db2.gz ZAQJOCUEIXKEDR-DOTOQJQBSA-N 1 3 357.458 0.679 20 0 FCADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](N)c2ccccc2)CC3)CC1 ZINC001159417454 1223126591 /nfs/dbraw/zinc/12/65/91/1223126591.db2.gz PSSMNQUCOUUWIA-LJQANCHMSA-N 1 3 368.485 0.673 20 0 FCADHO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](N)c2ccccc2)CC3)CC1 ZINC001159417454 1223126592 /nfs/dbraw/zinc/12/65/92/1223126592.db2.gz PSSMNQUCOUUWIA-LJQANCHMSA-N 1 3 368.485 0.673 20 0 FCADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]([NH3+])c2ccccc2)CC3)CC1 ZINC001159417454 1223126593 /nfs/dbraw/zinc/12/65/93/1223126593.db2.gz PSSMNQUCOUUWIA-LJQANCHMSA-N 1 3 368.485 0.673 20 0 FCADHO C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001159610834 1223131370 /nfs/dbraw/zinc/13/13/70/1223131370.db2.gz UYFSPCDXDIKZCQ-BLLLJJGKSA-N 1 3 374.489 0.246 20 0 FCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)[C@@H]2C ZINC001159632996 1223131743 /nfs/dbraw/zinc/13/17/43/1223131743.db2.gz DVKVASBCFUYOKB-VCBZYWHSSA-N 1 3 360.506 0.578 20 0 FCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)[C@H]2C ZINC001159632995 1223131824 /nfs/dbraw/zinc/13/18/24/1223131824.db2.gz DVKVASBCFUYOKB-KHYOSLBOSA-N 1 3 360.506 0.578 20 0 FCADHO N[C@@H](C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2)C1CC[NH2+]CC1 ZINC001159677071 1223133369 /nfs/dbraw/zinc/13/33/69/1223133369.db2.gz DABYGBBYSNZUDK-GOSISDBHSA-N 1 3 373.501 0.606 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159939947 1223140359 /nfs/dbraw/zinc/14/03/59/1223140359.db2.gz ZFTRKPQQAJJYCB-MXASKKJJSA-N 1 3 366.506 0.365 20 0 FCADHO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001159967123 1223141478 /nfs/dbraw/zinc/14/14/78/1223141478.db2.gz LDEIOXBBKAXMMO-XOKHGSTOSA-N 1 3 372.444 0.308 20 0 FCADHO N[C@H](C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1)C1CC[NH2+]CC1 ZINC001160065276 1223144062 /nfs/dbraw/zinc/14/40/62/1223144062.db2.gz IARNCWSUVRFXIC-SFHVURJKSA-N 1 3 369.473 0.241 20 0 FCADHO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001160203511 1223149834 /nfs/dbraw/zinc/14/98/34/1223149834.db2.gz WPKZHEOAWNNAEQ-IAGOWNOFSA-N 1 3 374.529 0.731 20 0 FCADHO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)O1 ZINC001160226832 1223150818 /nfs/dbraw/zinc/15/08/18/1223150818.db2.gz ARUQROYYDVXKHX-TXPKVOOTSA-N 1 3 368.522 0.755 20 0 FCADHO O=C(N1CCN(c2cccc3n[nH]cc32)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160668689 1223168171 /nfs/dbraw/zinc/16/81/71/1223168171.db2.gz ZACCARAQWUJCIS-AUUYWEPGSA-N 1 3 354.458 0.411 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)[C@H]3CC[C@@]4(C3)CNCCO4)C[C@H]1C[NH2+]CC2 ZINC001160810576 1223174532 /nfs/dbraw/zinc/17/45/32/1223174532.db2.gz CMSYNIZNROHDQU-OSGQAZFXSA-N 1 3 365.474 0.146 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2)ncn1 ZINC001161093441 1223185511 /nfs/dbraw/zinc/18/55/11/1223185511.db2.gz OETSATBQXJHTJN-HNNXBMFYSA-N 1 3 364.494 0.629 20 0 FCADHO CCn1c2ccccc2nc1N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161297205 1223194084 /nfs/dbraw/zinc/19/40/84/1223194084.db2.gz SWMKQSQRMXXHCX-HNNXBMFYSA-N 1 3 368.485 0.514 20 0 FCADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)CC1 ZINC001161305900 1223195343 /nfs/dbraw/zinc/19/53/43/1223195343.db2.gz CFJBQFBGQJJXDZ-HOTGVXAUSA-N 1 3 361.490 0.917 20 0 FCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378741 1223197259 /nfs/dbraw/zinc/19/72/59/1223197259.db2.gz MINCSDMAGZSBJA-OALUTQOASA-N 1 3 360.502 0.945 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161514727 1223203270 /nfs/dbraw/zinc/20/32/70/1223203270.db2.gz RXRWPOIYYUSVJF-KRWDZBQOSA-N 1 3 364.465 0.999 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161579348 1223204682 /nfs/dbraw/zinc/20/46/82/1223204682.db2.gz CKKVWXYQMIJPKJ-INIZCTEOSA-N 1 3 359.474 0.426 20 0 FCADHO COC(=O)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@H]1c1ccccc1 ZINC001161565512 1223204867 /nfs/dbraw/zinc/20/48/67/1223204867.db2.gz YFTBSQUCLFBZDS-NHAYFPRASA-N 1 3 357.454 0.948 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584926 1223204881 /nfs/dbraw/zinc/20/48/81/1223204881.db2.gz UETPPYHTIKHEED-YJBOKZPZSA-N 1 3 370.497 0.988 20 0 FCADHO Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCc1nnn2c1CNCCC2 ZINC001162972636 1223222523 /nfs/dbraw/zinc/22/25/23/1223222523.db2.gz JAJXVLWUKUVDKP-UHFFFAOYSA-N 1 3 371.493 0.657 20 0 FCADHO O=C(NC1CC[NH2+]CC1)c1ccccc1NCc1nnn2c1CNCCC2 ZINC001162980317 1223223390 /nfs/dbraw/zinc/22/33/90/1223223390.db2.gz YRKLHZVXYVZVQA-UHFFFAOYSA-N 1 3 369.473 0.865 20 0 FCADHO COCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001205216865 1223318136 /nfs/dbraw/zinc/31/81/36/1223318136.db2.gz KBFMVQBTGZDGMQ-RTBURBONSA-N 1 3 361.486 0.803 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1ccc[nH]c1=O)CC2 ZINC001207002124 1223403654 /nfs/dbraw/zinc/40/36/54/1223403654.db2.gz DBLAZQHNAONCGQ-UHFFFAOYSA-N 1 3 361.490 0.457 20 0 FCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(CC3CC[NH+](C)CC3)C2)CC1 ZINC001207396954 1223443476 /nfs/dbraw/zinc/44/34/76/1223443476.db2.gz AXPAOPCSPRMRRN-IBGZPJMESA-N 1 3 360.550 0.904 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615371 1223563224 /nfs/dbraw/zinc/56/32/24/1223563224.db2.gz WBYFYIOLDJWRRD-YYIAUSFCSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615371 1223563226 /nfs/dbraw/zinc/56/32/26/1223563226.db2.gz WBYFYIOLDJWRRD-YYIAUSFCSA-N 1 3 361.490 0.724 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208676318 1223569769 /nfs/dbraw/zinc/56/97/69/1223569769.db2.gz MMJANSNHUKBEOL-NXHRZFHOSA-N 1 3 360.502 0.861 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208676318 1223569770 /nfs/dbraw/zinc/56/97/70/1223569770.db2.gz MMJANSNHUKBEOL-NXHRZFHOSA-N 1 3 360.502 0.861 20 0 FCADHO CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC001213864025 1223863747 /nfs/dbraw/zinc/86/37/47/1223863747.db2.gz YAZZRQFDRZKJFE-CGTJXYLNSA-N 1 3 369.506 0.339 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC001213864025 1223863748 /nfs/dbraw/zinc/86/37/48/1223863748.db2.gz YAZZRQFDRZKJFE-CGTJXYLNSA-N 1 3 369.506 0.339 20 0 FCADHO CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214335895 1223902310 /nfs/dbraw/zinc/90/23/10/1223902310.db2.gz LZJXLGYFIVUELY-ZACQAIPSSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCc1ccco1 ZINC001214661987 1223930287 /nfs/dbraw/zinc/93/02/87/1223930287.db2.gz OCUHOASUDLSHID-MUIFIZLQSA-N 1 3 362.474 0.673 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCc1ccco1 ZINC001214661987 1223930290 /nfs/dbraw/zinc/93/02/90/1223930290.db2.gz OCUHOASUDLSHID-MUIFIZLQSA-N 1 3 362.474 0.673 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001214845430 1223947530 /nfs/dbraw/zinc/94/75/30/1223947530.db2.gz UGQJGLQLVDCRGV-KBAYOESNSA-N 1 3 364.534 0.927 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001214845430 1223947531 /nfs/dbraw/zinc/94/75/31/1223947531.db2.gz UGQJGLQLVDCRGV-KBAYOESNSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1NCC(=O)N(C)C ZINC001214850623 1223948148 /nfs/dbraw/zinc/94/81/48/1223948148.db2.gz ZAFOOVPYQBARHR-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1NCC(=O)N(C)C ZINC001214850623 1223948149 /nfs/dbraw/zinc/94/81/49/1223948149.db2.gz ZAFOOVPYQBARHR-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860948 1223949231 /nfs/dbraw/zinc/94/92/31/1223949231.db2.gz BXNPCJKUJSRGCK-UKRRQHHQSA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCCc1ccccc1 ZINC001215462945 1224000373 /nfs/dbraw/zinc/00/03/73/1224000373.db2.gz CRUUNJUCMXLBAY-SJLPKXTDSA-N 1 3 360.502 0.734 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215557934 1224006093 /nfs/dbraw/zinc/00/60/93/1224006093.db2.gz FLTNJAXDUOIPKY-BRWVUGGUSA-N 1 3 363.506 0.412 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598738 1224008719 /nfs/dbraw/zinc/00/87/19/1224008719.db2.gz HOXMVKTUZLRBJR-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001216382823 1224047496 /nfs/dbraw/zinc/04/74/96/1224047496.db2.gz DJHDUNPQWMASEE-HLLBOEOZSA-N 1 3 362.474 0.674 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001216382823 1224047498 /nfs/dbraw/zinc/04/74/98/1224047498.db2.gz DJHDUNPQWMASEE-HLLBOEOZSA-N 1 3 362.474 0.674 20 0 FCADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216854078 1224079361 /nfs/dbraw/zinc/07/93/61/1224079361.db2.gz SEKOKVAZIAVJMJ-RBSFLKMASA-N 1 3 369.510 0.386 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994034490 1250159445 /nfs/dbraw/zinc/15/94/45/1250159445.db2.gz VFAIDAPVEUSKPH-KZNAEPCWSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994034490 1250159454 /nfs/dbraw/zinc/15/94/54/1250159454.db2.gz VFAIDAPVEUSKPH-KZNAEPCWSA-N 1 3 364.534 0.881 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848614827 1245375697 /nfs/dbraw/zinc/37/56/97/1245375697.db2.gz YGWNHYIWPILXFR-QZTJIDSGSA-N 1 3 358.486 0.937 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1OC ZINC000849106472 1245392578 /nfs/dbraw/zinc/39/25/78/1245392578.db2.gz QUOPYFAMQSOAHU-MRXNPFEDSA-N 1 3 361.490 0.952 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517284 1245505139 /nfs/dbraw/zinc/50/51/39/1245505139.db2.gz RERFJPDKIGDZEA-ZTFGCOKTSA-N 1 3 358.486 0.918 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517284 1245505142 /nfs/dbraw/zinc/50/51/42/1245505142.db2.gz RERFJPDKIGDZEA-ZTFGCOKTSA-N 1 3 358.486 0.918 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911518393 1245506375 /nfs/dbraw/zinc/50/63/75/1245506375.db2.gz VDLDDECUQVOOLI-QZTJIDSGSA-N 1 3 374.485 0.033 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911518393 1245506378 /nfs/dbraw/zinc/50/63/78/1245506378.db2.gz VDLDDECUQVOOLI-QZTJIDSGSA-N 1 3 374.485 0.033 20 0 FCADHO O=C1N[C@@H]2CN(C[C@H](O)Cc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923379422 1245713545 /nfs/dbraw/zinc/71/35/45/1245713545.db2.gz JVKYNGJXUYBZGR-GUDVDZBRSA-N 1 3 358.486 0.810 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549079 1247122709 /nfs/dbraw/zinc/12/27/09/1247122709.db2.gz FGGBCCVKMVUNDY-BRWVUGGUSA-N 1 3 368.522 0.256 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CCO2)CC[N@@H+]1C ZINC000944616439 1247580849 /nfs/dbraw/zinc/58/08/49/1247580849.db2.gz ODLXXLUQJXGVDM-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CCO2)CC[N@H+]1C ZINC000944616439 1247580856 /nfs/dbraw/zinc/58/08/56/1247580856.db2.gz ODLXXLUQJXGVDM-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656625 1248327655 /nfs/dbraw/zinc/32/76/55/1248327655.db2.gz CNEIPWQYIPWXDA-ZXLDYLNASA-N 1 3 362.518 0.774 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656625 1248327663 /nfs/dbraw/zinc/32/76/63/1248327663.db2.gz CNEIPWQYIPWXDA-ZXLDYLNASA-N 1 3 362.518 0.774 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001328208570 1265504374 /nfs/dbraw/zinc/50/43/74/1265504374.db2.gz UZYGFPBKXUMIQV-KRWDZBQOSA-N 1 3 366.506 0.345 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000999020348 1252029719 /nfs/dbraw/zinc/02/97/19/1252029719.db2.gz XFQXHVYWWPFJNM-VJDWVQAOSA-N 1 3 359.474 0.849 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000999020348 1252029725 /nfs/dbraw/zinc/02/97/25/1252029725.db2.gz XFQXHVYWWPFJNM-VJDWVQAOSA-N 1 3 359.474 0.849 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001009636133 1253750401 /nfs/dbraw/zinc/75/04/01/1253750401.db2.gz NRJISJAZTDHCNZ-VCBZYWHSSA-N 1 3 359.474 0.649 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001009636133 1253750404 /nfs/dbraw/zinc/75/04/04/1253750404.db2.gz NRJISJAZTDHCNZ-VCBZYWHSSA-N 1 3 359.474 0.649 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001329678462 1265810607 /nfs/dbraw/zinc/81/06/07/1265810607.db2.gz GYTJSRMIYHKBHQ-BSWAZPDLSA-N 1 3 366.506 0.317 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC001078403866 1255406962 /nfs/dbraw/zinc/40/69/62/1255406962.db2.gz KTNXIVPQFYOEOI-HRCADAONSA-N 1 3 364.494 0.551 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC001078403866 1255406966 /nfs/dbraw/zinc/40/69/66/1255406966.db2.gz KTNXIVPQFYOEOI-HRCADAONSA-N 1 3 364.494 0.551 20 0 FCADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405380 1255409278 /nfs/dbraw/zinc/40/92/78/1255409278.db2.gz LXABYWJZTYPHET-ZTFGCOKTSA-N 1 3 361.490 0.832 20 0 FCADHO Cc1ncc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)cn1 ZINC001078405380 1255409279 /nfs/dbraw/zinc/40/92/79/1255409279.db2.gz LXABYWJZTYPHET-ZTFGCOKTSA-N 1 3 361.490 0.832 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC(N)=O)C2)C1 ZINC001079162381 1255462665 /nfs/dbraw/zinc/46/26/65/1255462665.db2.gz JAZVFHKZDUYFHY-HYVNUMGLSA-N 1 3 362.449 0.537 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC(N)=O)C2)C1 ZINC001079162381 1255462668 /nfs/dbraw/zinc/46/26/68/1255462668.db2.gz JAZVFHKZDUYFHY-HYVNUMGLSA-N 1 3 362.449 0.537 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079240764 1255483453 /nfs/dbraw/zinc/48/34/53/1255483453.db2.gz BRWDLKDLACCUIE-RCCFBDPRSA-N 1 3 365.518 0.791 20 0 FCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245593 1255485994 /nfs/dbraw/zinc/48/59/94/1255485994.db2.gz BDNODXNIZWUUNC-BPQIPLTHSA-N 1 3 365.518 0.791 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001082515574 1256800517 /nfs/dbraw/zinc/80/05/17/1256800517.db2.gz RIBHPBJQABFQIG-UHOFOFEASA-N 1 3 358.490 0.960 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082783439 1257048074 /nfs/dbraw/zinc/04/80/74/1257048074.db2.gz YOELLKXUDLFEKG-BRWVUGGUSA-N 1 3 365.522 0.711 20 0 FCADHO Cc1ncc(CN[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC001082828787 1257086350 /nfs/dbraw/zinc/08/63/50/1257086350.db2.gz IFHRBTRDZQCOJB-RDTXWAMCSA-N 1 3 361.490 0.832 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082943690 1257160841 /nfs/dbraw/zinc/16/08/41/1257160841.db2.gz XHJLZSMAIHYDFW-ZACQAIPSSA-N 1 3 366.506 0.156 20 0 FCADHO CC(=O)N(C(=O)C(=O)N(C)CCN(C)C1CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001330776727 1266096641 /nfs/dbraw/zinc/09/66/41/1266096641.db2.gz GSPGLVNQJZWPJL-UHFFFAOYSA-N 1 3 372.469 0.764 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)CN1CCN(C)CC1 ZINC001521503675 1266128805 /nfs/dbraw/zinc/12/88/05/1266128805.db2.gz JZIQDDPAQKNQHL-TVFCKZIOSA-N 1 3 352.523 0.533 20 0 FCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001331166813 1266161382 /nfs/dbraw/zinc/16/13/82/1266161382.db2.gz MKSCYNGYYDQSTL-KSZLIROESA-N 1 3 374.485 0.247 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001521859263 1266195164 /nfs/dbraw/zinc/19/51/64/1266195164.db2.gz VYVRCAHYCYGEEK-MRXNPFEDSA-N 1 3 353.511 0.762 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633802 1258930281 /nfs/dbraw/zinc/93/02/81/1258930281.db2.gz VEZJLEPMIAGGDU-BRWVUGGUSA-N 1 3 369.554 0.964 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1)N(C)C ZINC001106674444 1258939376 /nfs/dbraw/zinc/93/93/76/1258939376.db2.gz VKGCIICHEVJCBO-INMHGKMJSA-N 1 3 364.490 0.920 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106775440 1258960901 /nfs/dbraw/zinc/96/09/01/1258960901.db2.gz FRUQVTOLNNXRIQ-HUUCEWRRSA-N 1 3 369.510 0.378 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106798658 1258965536 /nfs/dbraw/zinc/96/55/36/1258965536.db2.gz PDRUQEIPSXGUBO-SJLPKXTDSA-N 1 3 364.534 0.929 20 0 FCADHO CC(C)n1cc(CNC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1 ZINC001106877885 1258986796 /nfs/dbraw/zinc/98/67/96/1258986796.db2.gz BVOVFSFLBNVVDO-HZPDHXFCSA-N 1 3 366.510 0.621 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001107037242 1259022751 /nfs/dbraw/zinc/02/27/51/1259022751.db2.gz YNIOBWBEWULVBF-KFWWJZLASA-N 1 3 367.494 0.001 20 0 FCADHO CCN(C)C(=O)CN1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608167 1259132638 /nfs/dbraw/zinc/13/26/38/1259132638.db2.gz CXKDNEYEALGSAD-VQIMIIECSA-N 1 3 362.518 0.921 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)C1 ZINC001107609607 1259134092 /nfs/dbraw/zinc/13/40/92/1259134092.db2.gz YNVCMLWVSVISOE-SQGPQFPESA-N 1 3 362.518 0.921 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)C1 ZINC001107609607 1259134100 /nfs/dbraw/zinc/13/41/00/1259134100.db2.gz YNVCMLWVSVISOE-SQGPQFPESA-N 1 3 362.518 0.921 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2ccccc2F)CC[N@@H+]1C ZINC001127705417 1259184600 /nfs/dbraw/zinc/18/46/00/1259184600.db2.gz CXTFMDZAKYVOHC-DOTOQJQBSA-N 1 3 364.465 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2ccccc2F)CC[N@H+]1C ZINC001127705417 1259184603 /nfs/dbraw/zinc/18/46/03/1259184603.db2.gz CXTFMDZAKYVOHC-DOTOQJQBSA-N 1 3 364.465 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127695080 1259185336 /nfs/dbraw/zinc/18/53/36/1259185336.db2.gz AZZBKTRJHKQOCZ-LSDHHAIUSA-N 1 3 367.494 0.191 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)CC[N@H+]1C ZINC001127695080 1259185341 /nfs/dbraw/zinc/18/53/41/1259185341.db2.gz AZZBKTRJHKQOCZ-LSDHHAIUSA-N 1 3 367.494 0.191 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129228485 1259350212 /nfs/dbraw/zinc/35/02/12/1259350212.db2.gz UWKBCXGRYDYUTB-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO COC[C@H](C)NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001331639445 1266254004 /nfs/dbraw/zinc/25/40/04/1266254004.db2.gz SSTMVXLPQVXLCN-HNNXBMFYSA-N 1 3 362.474 0.247 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200554927 1259416486 /nfs/dbraw/zinc/41/64/86/1259416486.db2.gz MZYPCONTIXANBA-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200554927 1259416490 /nfs/dbraw/zinc/41/64/90/1259416490.db2.gz MZYPCONTIXANBA-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215535987 1259534748 /nfs/dbraw/zinc/53/47/48/1259534748.db2.gz BQLGAYGWPLBMLP-BFYDXBDKSA-N 1 3 362.474 0.817 20 0 FCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)CC1 ZINC001235616645 1259580850 /nfs/dbraw/zinc/58/08/50/1259580850.db2.gz RKPVLHXRKDDJOI-IRXDYDNUSA-N 1 3 362.522 0.287 20 0 FCADHO c1nc2n(c1CN(CCN1CCOCC1)CC1CC[NH2+]CC1)CCNC2 ZINC001236400525 1259590118 /nfs/dbraw/zinc/59/01/18/1259590118.db2.gz FGJKSWJPKRCMQY-UHFFFAOYSA-N 1 3 362.522 0.120 20 0 FCADHO COCCc1ccc(OC[C@@H](O)CNC2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245988191 1259643618 /nfs/dbraw/zinc/64/36/18/1259643618.db2.gz GKGPWAQTIZVJBF-IBGZPJMESA-N 1 3 363.502 0.641 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCNCC1 ZINC001246077109 1259648553 /nfs/dbraw/zinc/64/85/53/1259648553.db2.gz GQKNIMOBSNFOQI-CYBMUJFWSA-N 1 3 362.478 0.334 20 0 FCADHO c1ncn2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1cccnc1)C2 ZINC001246718644 1259667618 /nfs/dbraw/zinc/66/76/18/1259667618.db2.gz JMYZSSQYMHOHGD-IRXDYDNUSA-N 1 3 368.485 0.883 20 0 FCADHO C[C@H]1CCCN1C(=O)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246729854 1259670154 /nfs/dbraw/zinc/67/01/54/1259670154.db2.gz PWTLUTDLGKNUBY-KBPBESRZSA-N 1 3 358.490 0.420 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461518 1259671000 /nfs/dbraw/zinc/67/10/00/1259671000.db2.gz WKKCPGDGFOOKFI-OWCLPIDISA-N 1 3 352.479 0.308 20 0 FCADHO CN1CCN(CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC001335522040 1259697421 /nfs/dbraw/zinc/69/74/21/1259697421.db2.gz MYHYXNQHICJBKN-MRXNPFEDSA-N 1 3 367.538 0.470 20 0 FCADHO Cn1cc(C(=O)N[C@H]2CN([C@@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523859 1259889060 /nfs/dbraw/zinc/88/90/60/1259889060.db2.gz SBRWPDMUQWIVBQ-XMTFNYHQSA-N 1 3 361.490 0.866 20 0 FCADHO Cn1cc(C(=O)N[C@H]2CN([C@@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001254523859 1259889063 /nfs/dbraw/zinc/88/90/63/1259889063.db2.gz SBRWPDMUQWIVBQ-XMTFNYHQSA-N 1 3 361.490 0.866 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898313 /nfs/dbraw/zinc/89/83/13/1259898313.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 1 3 364.534 0.582 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898319 /nfs/dbraw/zinc/89/83/19/1259898319.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 1 3 364.534 0.582 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC001337532425 1260424142 /nfs/dbraw/zinc/42/41/42/1260424142.db2.gz QLERWAKDFFWJLG-WKILWMFISA-N 1 3 362.474 0.439 20 0 FCADHO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC[C@H]4CN(C)C[C@H]43)CC2)CC1 ZINC001272924799 1260531272 /nfs/dbraw/zinc/53/12/72/1260531272.db2.gz RIRKYTJPRAQSQJ-PKOBYXMFSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1 ZINC001278769112 1260728919 /nfs/dbraw/zinc/72/89/19/1260728919.db2.gz ILUBEBZRQIBGFD-OALUTQOASA-N 1 3 360.502 0.835 20 0 FCADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279572809 1260895602 /nfs/dbraw/zinc/89/56/02/1260895602.db2.gz PELHBEDGJHNKQT-OKILXGFUSA-N 1 3 363.462 0.428 20 0 FCADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279572809 1260895605 /nfs/dbraw/zinc/89/56/05/1260895605.db2.gz PELHBEDGJHNKQT-OKILXGFUSA-N 1 3 363.462 0.428 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001332332492 1266379453 /nfs/dbraw/zinc/37/94/53/1266379453.db2.gz QLERWAKDFFWJLG-IYBDPMFKSA-N 1 3 362.474 0.439 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCn2nccc2CN1CCN(C)C ZINC001280222134 1261039666 /nfs/dbraw/zinc/03/96/66/1261039666.db2.gz ZJAADEXYUWHAKL-SFHVURJKSA-N 1 3 364.538 0.819 20 0 FCADHO C[NH+](C)CCCN1CCN(CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001280223145 1261039679 /nfs/dbraw/zinc/03/96/79/1261039679.db2.gz CZOGOTMTDSSKPK-IBGZPJMESA-N 1 3 362.522 0.491 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@@H]2COC(C)(C)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280227677 1261040376 /nfs/dbraw/zinc/04/03/76/1261040376.db2.gz PZDRTCQHJOXOFL-VQIMIIECSA-N 1 3 368.522 0.356 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001281862127 1261241298 /nfs/dbraw/zinc/24/12/98/1261241298.db2.gz JRRZQAXOLUZGRQ-BZUAXINKSA-N 1 3 368.522 0.258 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001281862127 1261241300 /nfs/dbraw/zinc/24/13/00/1261241300.db2.gz JRRZQAXOLUZGRQ-BZUAXINKSA-N 1 3 368.522 0.258 20 0 FCADHO C[C@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001332408196 1266395432 /nfs/dbraw/zinc/39/54/32/1266395432.db2.gz HIUGKQFZNSRBQS-IRXDYDNUSA-N 1 3 362.522 0.543 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001289846284 1262356476 /nfs/dbraw/zinc/35/64/76/1262356476.db2.gz DWZNYEHVCCNLON-ZACQAIPSSA-N 1 3 364.534 0.974 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C)N(C)C ZINC001290709004 1262499334 /nfs/dbraw/zinc/49/93/34/1262499334.db2.gz BWLBCNOENNSLMU-HYVNUMGLSA-N 1 3 368.522 0.543 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580401873 1278227655 /nfs/dbraw/zinc/22/76/55/1278227655.db2.gz BFHGTEAOFYELMJ-DYVFJYSZSA-N 1 3 369.473 0.803 20 0 FCADHO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323511424 1264445308 /nfs/dbraw/zinc/44/53/08/1264445308.db2.gz JSXYMOARPUEFLB-SJORKVTESA-N 1 3 370.538 0.506 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1)N(C)C ZINC001513387168 1265082767 /nfs/dbraw/zinc/08/27/67/1265082767.db2.gz YHGXHECHKHQWFK-IXDOHACOSA-N 1 3 368.522 0.545 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001327487889 1265340195 /nfs/dbraw/zinc/34/01/95/1265340195.db2.gz XZZLBGFPNSXEGY-HNNXBMFYSA-N 1 3 361.490 0.524 20 0 FCADHO COC(=O)[C@H]1CN(C)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001333039598 1266527572 /nfs/dbraw/zinc/52/75/72/1266527572.db2.gz XCYINBYPBFUGRH-AZUAARDMSA-N 1 3 361.486 0.660 20 0 FCADHO COC(=O)[C@H]1CN(C)CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001333039598 1266527578 /nfs/dbraw/zinc/52/75/78/1266527578.db2.gz XCYINBYPBFUGRH-AZUAARDMSA-N 1 3 361.486 0.660 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001334062540 1266801232 /nfs/dbraw/zinc/80/12/32/1266801232.db2.gz GSNIGKBBQZNNHC-HKUYNNGSSA-N 1 3 355.523 0.238 20 0 FCADHO Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001580461815 1278335226 /nfs/dbraw/zinc/33/52/26/1278335226.db2.gz KLIQFSOJBYSVSW-CHWSQXEVSA-N 1 3 360.466 0.315 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937100 1267774730 /nfs/dbraw/zinc/77/47/30/1267774730.db2.gz FDHCOWXTCYVICR-OCCSQVGLSA-N 1 3 358.450 0.404 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)[C@H](C)C2)CC1 ZINC001549140507 1267822614 /nfs/dbraw/zinc/82/26/14/1267822614.db2.gz ZXGCILHBXLVKIT-WBVHZDCISA-N 1 3 366.506 0.014 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549348039 1267904361 /nfs/dbraw/zinc/90/43/61/1267904361.db2.gz HUUPNCQYUMZZCQ-IKGGRYGDSA-N 1 3 365.522 0.175 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549348039 1267904367 /nfs/dbraw/zinc/90/43/67/1267904367.db2.gz HUUPNCQYUMZZCQ-IKGGRYGDSA-N 1 3 365.522 0.175 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001338689115 1268044168 /nfs/dbraw/zinc/04/41/68/1268044168.db2.gz YIOHKKAWFHQXAJ-UHFFFAOYSA-N 1 3 367.538 0.696 20 0 FCADHO Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC001550005402 1268045762 /nfs/dbraw/zinc/04/57/62/1268045762.db2.gz SGTSRMUYVASCDD-KURKYZTESA-N 1 3 374.533 0.865 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@H]4C[NH2+]C[C@]4(C)C3)ccc2[nH]c1=O ZINC001550115741 1268075900 /nfs/dbraw/zinc/07/59/00/1268075900.db2.gz DDCWWPCVLWLKRI-AUUYWEPGSA-N 1 3 357.458 0.985 20 0 FCADHO COC[C@@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC[NH2+]1 ZINC001550202446 1268091920 /nfs/dbraw/zinc/09/19/20/1268091920.db2.gz MKHHQBJSMGNCHX-QGZVFWFLSA-N 1 3 352.479 0.087 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1CN3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476623 1268124514 /nfs/dbraw/zinc/12/45/14/1268124514.db2.gz ALGLFBORZGCHRT-PITCONLNSA-N 1 3 351.491 0.446 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@H]1CN3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476623 1268124515 /nfs/dbraw/zinc/12/45/15/1268124515.db2.gz ALGLFBORZGCHRT-PITCONLNSA-N 1 3 351.491 0.446 20 0 FCADHO Cc1cccc(CNC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913859 1268184062 /nfs/dbraw/zinc/18/40/62/1268184062.db2.gz QCDFEIWXPLVXLK-FXAWDEMLSA-N 1 3 358.486 0.848 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC001550914363 1268184365 /nfs/dbraw/zinc/18/43/65/1268184365.db2.gz UEBVHBNHBSNUMM-RHSMWYFYSA-N 1 3 350.488 0.601 20 0 FCADHO CC1([NH+]2CCOCC2)CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC001551274932 1268219906 /nfs/dbraw/zinc/21/99/06/1268219906.db2.gz QPDYHUIFDMQOLR-PQUAAJSLSA-N 1 3 354.495 0.386 20 0 FCADHO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001551489317 1268261137 /nfs/dbraw/zinc/26/11/37/1268261137.db2.gz BWQZYLLAZSXYMR-COCVIAQXSA-N 1 3 372.469 0.703 20 0 FCADHO CCCN(C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001339912774 1268370413 /nfs/dbraw/zinc/37/04/13/1268370413.db2.gz GURSOOYOVJJORR-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001339912774 1268370425 /nfs/dbraw/zinc/37/04/25/1268370425.db2.gz GURSOOYOVJJORR-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)nc1 ZINC001552203426 1268409413 /nfs/dbraw/zinc/40/94/13/1268409413.db2.gz BNHKNWVXCCAGPU-APWZRJJASA-N 1 3 359.474 0.028 20 0 FCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552258104 1268424736 /nfs/dbraw/zinc/42/47/36/1268424736.db2.gz PZDZWJBHMBBSQY-FQUUOJAGSA-N 1 3 350.442 0.771 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283511 1268432145 /nfs/dbraw/zinc/43/21/45/1268432145.db2.gz SYIRBWDCJZXJSZ-GFIVTLFCSA-N 1 3 351.491 0.570 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC001340111432 1268438774 /nfs/dbraw/zinc/43/87/74/1268438774.db2.gz CAWGPQRNYZRSDH-CTNGQTDRSA-N 1 3 374.529 0.986 20 0 FCADHO CN1CCNC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC001340347689 1268518699 /nfs/dbraw/zinc/51/86/99/1268518699.db2.gz BBBHWUXZZWBFRF-GOSISDBHSA-N 1 3 360.506 0.486 20 0 FCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001340397059 1268534677 /nfs/dbraw/zinc/53/46/77/1268534677.db2.gz DCYIEVIERSFQNL-QUCCMNQESA-N 1 3 361.486 0.898 20 0 FCADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cnc([C@H]2CCCN2)nc1 ZINC001553358674 1268637402 /nfs/dbraw/zinc/63/74/02/1268637402.db2.gz ZQFWAXXDTYTLTK-OAHLLOKOSA-N 1 3 353.430 0.958 20 0 FCADHO CC1(C)C[NH2+][C@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001553556621 1268669274 /nfs/dbraw/zinc/66/92/74/1268669274.db2.gz XGDNZZHQRFTDFH-HNNXBMFYSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2[C@H]3CCCC[NH2+][C@H]32)CC1 ZINC001553555304 1268669316 /nfs/dbraw/zinc/66/93/16/1268669316.db2.gz JJJVADAVSMOGLM-ARFHVFGLSA-N 1 3 363.506 0.642 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N2CCCC[C@@H]3[C@@H]([NH3+])[C@@H]32)CC1 ZINC001553555492 1268669568 /nfs/dbraw/zinc/66/95/68/1268669568.db2.gz IZNWZQSFYMGMTD-BZUAXINKSA-N 1 3 363.506 0.724 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N2CCCC[C@@H]3[C@H]([NH3+])[C@H]32)CC1 ZINC001553555495 1268669737 /nfs/dbraw/zinc/66/97/37/1268669737.db2.gz IZNWZQSFYMGMTD-PMPSAXMXSA-N 1 3 363.506 0.724 20 0 FCADHO CN1CCN(c2ncc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cn2)CC1 ZINC001560328474 1269200719 /nfs/dbraw/zinc/20/07/19/1269200719.db2.gz VRUNHFPNXKJAEQ-LJQANCHMSA-N 1 3 374.533 0.961 20 0 FCADHO CN1CCN(c2ncc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)cn2)CC1 ZINC001560328474 1269200722 /nfs/dbraw/zinc/20/07/22/1269200722.db2.gz VRUNHFPNXKJAEQ-LJQANCHMSA-N 1 3 374.533 0.961 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2c1OCC2 ZINC001342088593 1269341199 /nfs/dbraw/zinc/34/11/99/1269341199.db2.gz WBEAEMCGNDCJLV-UHFFFAOYSA-N 1 3 362.474 0.190 20 0 FCADHO CC(C)N(C[C@H](O)CO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001563842967 1269399308 /nfs/dbraw/zinc/39/93/08/1269399308.db2.gz RCDLJJAUCMYLKF-KRWDZBQOSA-N 1 3 356.511 0.318 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)CC1 ZINC001566048285 1269580819 /nfs/dbraw/zinc/58/08/19/1269580819.db2.gz IALNEYJKKBNCCI-SJORKVTESA-N 1 3 362.518 0.635 20 0 FCADHO COC[C@@H](O)CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567841250 1269709434 /nfs/dbraw/zinc/70/94/34/1269709434.db2.gz VEUIXBZTEYQVSC-OTWHNJEPSA-N 1 3 361.486 0.387 20 0 FCADHO COC[C@@H](O)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001567841250 1269709442 /nfs/dbraw/zinc/70/94/42/1269709442.db2.gz VEUIXBZTEYQVSC-OTWHNJEPSA-N 1 3 361.486 0.387 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O ZINC001343605333 1269958889 /nfs/dbraw/zinc/95/88/89/1269958889.db2.gz KUEBXNCMEPARLF-SJORKVTESA-N 1 3 368.522 0.137 20 0 FCADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001572954148 1270399323 /nfs/dbraw/zinc/39/93/23/1270399323.db2.gz BEVBUFUIENEKDW-HZPDHXFCSA-N 1 3 363.462 0.170 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001573069250 1270590590 /nfs/dbraw/zinc/59/05/90/1270590590.db2.gz JSXUNAWGRFNUOL-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001573069250 1270590593 /nfs/dbraw/zinc/59/05/93/1270590593.db2.gz JSXUNAWGRFNUOL-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580655568 1278636276 /nfs/dbraw/zinc/63/62/76/1278636276.db2.gz ZLSSDDSAKSKYIJ-SFHVURJKSA-N 1 3 357.502 0.950 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874884 1271629271 /nfs/dbraw/zinc/62/92/71/1271629271.db2.gz FLCRIKMSTRPCOM-RYUDHWBXSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874884 1271629275 /nfs/dbraw/zinc/62/92/75/1271629275.db2.gz FLCRIKMSTRPCOM-RYUDHWBXSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877301 1271636756 /nfs/dbraw/zinc/63/67/56/1271636756.db2.gz QUKRLZYZGHUSRO-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877301 1271636760 /nfs/dbraw/zinc/63/67/60/1271636760.db2.gz QUKRLZYZGHUSRO-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877301 1271636762 /nfs/dbraw/zinc/63/67/62/1271636762.db2.gz QUKRLZYZGHUSRO-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877301 1271636766 /nfs/dbraw/zinc/63/67/66/1271636766.db2.gz QUKRLZYZGHUSRO-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896674 1271659201 /nfs/dbraw/zinc/65/92/01/1271659201.db2.gz GGRVIWKBMQIMQY-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896674 1271659204 /nfs/dbraw/zinc/65/92/04/1271659204.db2.gz GGRVIWKBMQIMQY-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896674 1271659206 /nfs/dbraw/zinc/65/92/06/1271659206.db2.gz GGRVIWKBMQIMQY-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896674 1271659208 /nfs/dbraw/zinc/65/92/08/1271659208.db2.gz GGRVIWKBMQIMQY-ZIAGYGMSSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CN(C)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1)[NH2+]CCc1c[nH]nn1 ZINC001575556839 1272196901 /nfs/dbraw/zinc/19/69/01/1272196901.db2.gz USPYKXAIOAFJLS-WBMJQRKESA-N 1 3 360.466 0.587 20 0 FCADHO CC1CCN(CC(=O)NCC2([NH2+]CCc3cn[nH]n3)CCOCC2)CC1 ZINC001576105633 1272888629 /nfs/dbraw/zinc/88/86/29/1272888629.db2.gz WZGYHMRIZRZRPP-UHFFFAOYSA-N 1 3 364.494 0.334 20 0 FCADHO CC1CCN(CC(=O)NCC2([NH2+]CCc3c[nH]nn3)CCOCC2)CC1 ZINC001576105633 1272888637 /nfs/dbraw/zinc/88/86/37/1272888637.db2.gz WZGYHMRIZRZRPP-UHFFFAOYSA-N 1 3 364.494 0.334 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794291 1273696067 /nfs/dbraw/zinc/69/60/67/1273696067.db2.gz DUELENXRHQOBGK-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794291 1273696072 /nfs/dbraw/zinc/69/60/72/1273696072.db2.gz DUELENXRHQOBGK-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794291 1273696077 /nfs/dbraw/zinc/69/60/77/1273696077.db2.gz DUELENXRHQOBGK-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794291 1273696084 /nfs/dbraw/zinc/69/60/84/1273696084.db2.gz DUELENXRHQOBGK-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794622 1273697202 /nfs/dbraw/zinc/69/72/02/1273697202.db2.gz FCKFYVMWBRUPHP-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794622 1273697209 /nfs/dbraw/zinc/69/72/09/1273697209.db2.gz FCKFYVMWBRUPHP-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794622 1273697215 /nfs/dbraw/zinc/69/72/15/1273697215.db2.gz FCKFYVMWBRUPHP-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794622 1273697219 /nfs/dbraw/zinc/69/72/19/1273697219.db2.gz FCKFYVMWBRUPHP-JKSUJKDBSA-N 1 3 357.462 0.803 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@H](NCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890439 1273881437 /nfs/dbraw/zinc/88/14/37/1273881437.db2.gz VESLZJSPMDDLNP-JQHSSLGASA-N 1 3 354.458 0.841 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N2CC[C@H](NCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890439 1273881444 /nfs/dbraw/zinc/88/14/44/1273881444.db2.gz VESLZJSPMDDLNP-JQHSSLGASA-N 1 3 354.458 0.841 20 0 FCADHO CCCN(C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCN(C)C1 ZINC001577488608 1274445526 /nfs/dbraw/zinc/44/55/26/1274445526.db2.gz CBZJHBLHTXDDOD-CABCVRRESA-N 1 3 352.479 0.797 20 0 FCADHO CCN1CCN(CCCn2c([C@@H]3CCC[NH2+]C3)nnc2N(C)OC)CC1 ZINC001577778330 1274870483 /nfs/dbraw/zinc/87/04/83/1274870483.db2.gz SXRYBHSJZQYOMH-MRXNPFEDSA-N 1 3 365.526 0.770 20 0 FCADHO CCN1CCN(CCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001577778263 1274871256 /nfs/dbraw/zinc/87/12/56/1274871256.db2.gz OVQZVXTVZVVTDQ-NVXWUHKLSA-N 1 3 361.538 0.967 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577852008 1274994525 /nfs/dbraw/zinc/99/45/25/1274994525.db2.gz HXYFPLDHOGKSOJ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577852008 1274994536 /nfs/dbraw/zinc/99/45/36/1274994536.db2.gz HXYFPLDHOGKSOJ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577852008 1274994544 /nfs/dbraw/zinc/99/45/44/1274994544.db2.gz HXYFPLDHOGKSOJ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577852008 1274994548 /nfs/dbraw/zinc/99/45/48/1274994548.db2.gz HXYFPLDHOGKSOJ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577869726 1275055486 /nfs/dbraw/zinc/05/54/86/1275055486.db2.gz RLIYEMGTIWVUDK-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577869726 1275055491 /nfs/dbraw/zinc/05/54/91/1275055491.db2.gz RLIYEMGTIWVUDK-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577869726 1275055496 /nfs/dbraw/zinc/05/54/96/1275055496.db2.gz RLIYEMGTIWVUDK-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577869726 1275055503 /nfs/dbraw/zinc/05/55/03/1275055503.db2.gz RLIYEMGTIWVUDK-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578218968 1275511991 /nfs/dbraw/zinc/51/19/91/1275511991.db2.gz AQJFBOGHKUESCV-INIZCTEOSA-N 1 3 372.477 0.737 20 0 FCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001578218968 1275511995 /nfs/dbraw/zinc/51/19/95/1275511995.db2.gz AQJFBOGHKUESCV-INIZCTEOSA-N 1 3 372.477 0.737 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001578397761 1275772638 /nfs/dbraw/zinc/77/26/38/1275772638.db2.gz XFHKOIKWBWEPNC-HZPDHXFCSA-N 1 3 353.511 0.618 20 0 FCADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452116 1275847541 /nfs/dbraw/zinc/84/75/41/1275847541.db2.gz OUDAHGBKJHPKFY-RYUDHWBXSA-N 1 3 350.385 0.279 20 0 FCADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001578452116 1275847550 /nfs/dbraw/zinc/84/75/50/1275847550.db2.gz OUDAHGBKJHPKFY-RYUDHWBXSA-N 1 3 350.385 0.279 20 0 FCADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452115 1275848399 /nfs/dbraw/zinc/84/83/99/1275848399.db2.gz OUDAHGBKJHPKFY-NWDGAFQWSA-N 1 3 350.385 0.279 20 0 FCADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001578452115 1275848411 /nfs/dbraw/zinc/84/84/11/1275848411.db2.gz OUDAHGBKJHPKFY-NWDGAFQWSA-N 1 3 350.385 0.279 20 0 FCADHO C[NH2+][C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN(C)CCOC)C1 ZINC001578601278 1276033700 /nfs/dbraw/zinc/03/37/00/1276033700.db2.gz AYBXXBVHRFRJLZ-HZPDHXFCSA-N 1 3 366.510 0.548 20 0 FCADHO C[NH2+]CCCn1c(C)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001578691075 1276149026 /nfs/dbraw/zinc/14/90/26/1276149026.db2.gz IJIUSHLTGKHDFN-UHFFFAOYSA-N 1 3 360.510 0.993 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578973805 1276521061 /nfs/dbraw/zinc/52/10/61/1276521061.db2.gz BWAVXVNSCCIJTL-OAHLLOKOSA-N 1 3 357.462 0.851 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578973805 1276521063 /nfs/dbraw/zinc/52/10/63/1276521063.db2.gz BWAVXVNSCCIJTL-OAHLLOKOSA-N 1 3 357.462 0.851 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578974578 1276522355 /nfs/dbraw/zinc/52/23/55/1276522355.db2.gz PLZFYRILOSRQOX-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578974578 1276522358 /nfs/dbraw/zinc/52/23/58/1276522358.db2.gz PLZFYRILOSRQOX-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578974990 1276523897 /nfs/dbraw/zinc/52/38/97/1276523897.db2.gz ZSWAOBSEQYGWRP-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578974990 1276523902 /nfs/dbraw/zinc/52/39/02/1276523902.db2.gz ZSWAOBSEQYGWRP-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578975627 1276525796 /nfs/dbraw/zinc/52/57/96/1276525796.db2.gz CCRLXUZZJJNMHN-GOSISDBHSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578975627 1276525802 /nfs/dbraw/zinc/52/58/02/1276525802.db2.gz CCRLXUZZJJNMHN-GOSISDBHSA-N 1 3 357.462 0.899 20 0 FCADHO COC[C@]1(CN(C)C)COCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC001578981114 1276542453 /nfs/dbraw/zinc/54/24/53/1276542453.db2.gz RIHRIBSAWBMUMA-PBDXBIJPSA-N 1 3 353.507 0.946 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001578988290 1276562280 /nfs/dbraw/zinc/56/22/80/1276562280.db2.gz UFIDFHROKAPDMQ-JOCQHMNTSA-N 1 3 361.425 0.694 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001578988290 1276562284 /nfs/dbraw/zinc/56/22/84/1276562284.db2.gz UFIDFHROKAPDMQ-JOCQHMNTSA-N 1 3 361.425 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325159 1277142713 /nfs/dbraw/zinc/14/27/13/1277142713.db2.gz AZPFCQAVPGZKEK-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325159 1277142715 /nfs/dbraw/zinc/14/27/15/1277142715.db2.gz AZPFCQAVPGZKEK-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325159 1277142717 /nfs/dbraw/zinc/14/27/17/1277142717.db2.gz AZPFCQAVPGZKEK-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325159 1277142719 /nfs/dbraw/zinc/14/27/19/1277142719.db2.gz AZPFCQAVPGZKEK-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325156 1277142826 /nfs/dbraw/zinc/14/28/26/1277142826.db2.gz AZPFCQAVPGZKEK-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325156 1277142828 /nfs/dbraw/zinc/14/28/28/1277142828.db2.gz AZPFCQAVPGZKEK-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325156 1277142829 /nfs/dbraw/zinc/14/28/29/1277142829.db2.gz AZPFCQAVPGZKEK-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325156 1277142831 /nfs/dbraw/zinc/14/28/31/1277142831.db2.gz AZPFCQAVPGZKEK-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327892 1277155478 /nfs/dbraw/zinc/15/54/78/1277155478.db2.gz YKFFTTQOYOVANM-CVEARBPZSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327892 1277155479 /nfs/dbraw/zinc/15/54/79/1277155479.db2.gz YKFFTTQOYOVANM-CVEARBPZSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327892 1277155485 /nfs/dbraw/zinc/15/54/85/1277155485.db2.gz YKFFTTQOYOVANM-CVEARBPZSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327892 1277155486 /nfs/dbraw/zinc/15/54/86/1277155486.db2.gz YKFFTTQOYOVANM-CVEARBPZSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333360 1277169059 /nfs/dbraw/zinc/16/90/59/1277169059.db2.gz QEHDLNDTLBMGSE-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333360 1277169062 /nfs/dbraw/zinc/16/90/62/1277169062.db2.gz QEHDLNDTLBMGSE-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333360 1277169066 /nfs/dbraw/zinc/16/90/66/1277169066.db2.gz QEHDLNDTLBMGSE-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333360 1277169069 /nfs/dbraw/zinc/16/90/69/1277169069.db2.gz QEHDLNDTLBMGSE-DOTOQJQBSA-N 1 3 369.473 0.803 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001579340319 1277184732 /nfs/dbraw/zinc/18/47/32/1277184732.db2.gz UGIZOXNUJADCJK-CALCHBBNSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001579340319 1277184733 /nfs/dbraw/zinc/18/47/33/1277184733.db2.gz UGIZOXNUJADCJK-CALCHBBNSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339966 1277185570 /nfs/dbraw/zinc/18/55/70/1277185570.db2.gz OQFYVUCGLSMBAF-CQDKDKBSSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339966 1277185574 /nfs/dbraw/zinc/18/55/74/1277185574.db2.gz OQFYVUCGLSMBAF-CQDKDKBSSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339966 1277185579 /nfs/dbraw/zinc/18/55/79/1277185579.db2.gz OQFYVUCGLSMBAF-CQDKDKBSSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339966 1277185583 /nfs/dbraw/zinc/18/55/83/1277185583.db2.gz OQFYVUCGLSMBAF-CQDKDKBSSA-N 1 3 373.436 0.694 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+](C)C ZINC001580276945 1278072124 /nfs/dbraw/zinc/07/21/24/1278072124.db2.gz OTUCPMIGUXMENV-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+](C)C ZINC001580276945 1278072131 /nfs/dbraw/zinc/07/21/31/1278072131.db2.gz OTUCPMIGUXMENV-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001580867563 1279070580 /nfs/dbraw/zinc/07/05/80/1279070580.db2.gz KHYNAEOKEBECBN-IRXDYDNUSA-N 1 3 359.536 0.817 20 0 FCADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001580867561 1279071273 /nfs/dbraw/zinc/07/12/73/1279071273.db2.gz KHYNAEOKEBECBN-DLBZAZTESA-N 1 3 359.536 0.817 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001719066781 1287648986 /nfs/dbraw/zinc/64/89/86/1287648986.db2.gz UFDZFCVHPUNMEB-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001719066781 1287648994 /nfs/dbraw/zinc/64/89/94/1287648994.db2.gz UFDZFCVHPUNMEB-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001683246507 1283907804 /nfs/dbraw/zinc/90/78/04/1283907804.db2.gz IAMRETJCHYXPNX-HZPDHXFCSA-N 1 3 366.506 0.155 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175341 1284267967 /nfs/dbraw/zinc/26/79/67/1284267967.db2.gz LOOKPUWGVVKOMV-XVWMLYKFSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175341 1284267973 /nfs/dbraw/zinc/26/79/73/1284267973.db2.gz LOOKPUWGVVKOMV-XVWMLYKFSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001591176666 1284270246 /nfs/dbraw/zinc/27/02/46/1284270246.db2.gz SIPZNDLXUKUEFI-GFCCVEGCSA-N 1 3 361.425 0.553 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001591176666 1284270254 /nfs/dbraw/zinc/27/02/54/1284270254.db2.gz SIPZNDLXUKUEFI-GFCCVEGCSA-N 1 3 361.425 0.553 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1)N(C)C ZINC001702669125 1285780401 /nfs/dbraw/zinc/78/04/01/1285780401.db2.gz SHSQBFJEGQTWST-RYRKJORJSA-N 1 3 352.523 0.831 20 0 FCADHO O=C(NC/C=C/C[NH2+]Cc1ccccc1-c1nnn[n-]1)C12CC[NH+](CC1)C2 ZINC001593047165 1285938546 /nfs/dbraw/zinc/93/85/46/1285938546.db2.gz BPMIBFBKQKESQU-ONEGZZNKSA-N 1 3 367.457 0.725 20 0 FCADHO O[C@@H](COc1ccccc1-c1nnn[n-]1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001593512109 1286189627 /nfs/dbraw/zinc/18/96/27/1286189627.db2.gz QXHRSEUKCUYATC-CQSZACIVSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@@H](COc1ccccc1-c1nn[n-]n1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001593512109 1286189629 /nfs/dbraw/zinc/18/96/29/1286189629.db2.gz QXHRSEUKCUYATC-CQSZACIVSA-N 1 3 358.446 0.682 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)N(C)C ZINC001735756141 1288861349 /nfs/dbraw/zinc/86/13/49/1288861349.db2.gz RYDFKGKZRZTKQA-NUJGCVRESA-N 1 3 368.522 0.137 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691981595 1289357149 /nfs/dbraw/zinc/35/71/49/1289357149.db2.gz DFIHWDNQEHKGDS-BHYGNILZSA-N 1 3 351.495 0.679 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)NC2CCOCC2)C1 ZINC001692083613 1289389553 /nfs/dbraw/zinc/38/95/53/1289389553.db2.gz AFONUZKZYHCTBD-WBVHZDCISA-N 1 3 368.522 0.450 20 0 FCADHO CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001614036302 1289734601 /nfs/dbraw/zinc/73/46/01/1289734601.db2.gz IAVQPIXSDYYCBP-HZPDHXFCSA-N 1 3 350.511 0.949 20 0 FCADHO CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001702311902 1290011235 /nfs/dbraw/zinc/01/12/35/1290011235.db2.gz CLCWNNKBAFZAGS-HUUCEWRRSA-N 1 3 354.495 0.155 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OC)N(C)C ZINC001739594525 1290213828 /nfs/dbraw/zinc/21/38/28/1290213828.db2.gz VHPHGDSKILBHOO-QKPAOTATSA-N 1 3 356.511 0.255 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001739663048 1290325992 /nfs/dbraw/zinc/32/59/92/1290325992.db2.gz BIVRROLGOJLNCP-ZACQAIPSSA-N 1 3 368.522 0.281 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001739663048 1290326004 /nfs/dbraw/zinc/32/60/04/1290326004.db2.gz BIVRROLGOJLNCP-ZACQAIPSSA-N 1 3 368.522 0.281 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001628009687 1290501117 /nfs/dbraw/zinc/50/11/17/1290501117.db2.gz PNFRRLADQXCNCK-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001628009687 1290501122 /nfs/dbraw/zinc/50/11/22/1290501122.db2.gz PNFRRLADQXCNCK-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)C1 ZINC001757247395 1290750736 /nfs/dbraw/zinc/75/07/36/1290750736.db2.gz SMIWFCULLIPWDY-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC001656044627 1291495154 /nfs/dbraw/zinc/49/51/54/1291495154.db2.gz IGOLXUCTJKNASV-OAHLLOKOSA-N 1 3 364.490 0.675 20 0 FCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1OCC ZINC001689069776 1294592271 /nfs/dbraw/zinc/59/22/71/1294592271.db2.gz RLKKFTJTGZFTHT-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689083824 1294602759 /nfs/dbraw/zinc/60/27/59/1294602759.db2.gz PPABDJQMYDVOMG-IKGGRYGDSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@@H](O)COCC(F)(F)F ZINC001689314586 1294737641 /nfs/dbraw/zinc/73/76/41/1294737641.db2.gz CHIAAEXRPOPJDM-UPJWGTAASA-N 1 3 355.401 0.457 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN3CCC(C)(C)C3)CC2)CC[N@@H+]1C ZINC001689587638 1294799539 /nfs/dbraw/zinc/79/95/39/1294799539.db2.gz BBKROIIIDPKFDK-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CN3CCC(C)(C)C3)CC2)CC[N@H+]1C ZINC001689587638 1294799545 /nfs/dbraw/zinc/79/95/45/1294799545.db2.gz BBKROIIIDPKFDK-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001690623784 1294876993 /nfs/dbraw/zinc/87/69/93/1294876993.db2.gz WPQNNKHLYIGDQR-JQHSSLGASA-N 1 3 360.502 0.904 20 0 FCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001690623784 1294877005 /nfs/dbraw/zinc/87/70/05/1294877005.db2.gz WPQNNKHLYIGDQR-JQHSSLGASA-N 1 3 360.502 0.904 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001691786024 1294922719 /nfs/dbraw/zinc/92/27/19/1294922719.db2.gz MAPDDGZNEDCQAW-KBUPBQIOSA-N 1 3 360.462 0.240 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001691786024 1294922725 /nfs/dbraw/zinc/92/27/25/1294922725.db2.gz MAPDDGZNEDCQAW-KBUPBQIOSA-N 1 3 360.462 0.240 20 0 FCADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866621 721111066 /nfs/dbraw/zinc/11/10/66/721111066.db2.gz UGOSRUDTKNCJEV-ZWKOTPCHSA-N 1 3 366.469 0.997 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN(c3ncc4c(n3)C[NH2+]C4)CC2)C1 ZINC001164869359 721272578 /nfs/dbraw/zinc/27/25/78/721272578.db2.gz LOEHNORVXSGIPT-UHFFFAOYSA-N 1 3 374.489 0.087 20 0 FCADHO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc4c(n3)CNC4)CC2)C1 ZINC001164869359 721272583 /nfs/dbraw/zinc/27/25/83/721272583.db2.gz LOEHNORVXSGIPT-UHFFFAOYSA-N 1 3 374.489 0.087 20 0 FCADHO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc4c(n3)CNC4)CC2)C1 ZINC001164869359 721272589 /nfs/dbraw/zinc/27/25/89/721272589.db2.gz LOEHNORVXSGIPT-UHFFFAOYSA-N 1 3 374.489 0.087 20 0 FCADHO CN1CCN(c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)CC1 ZINC001164927076 721850323 /nfs/dbraw/zinc/85/03/23/721850323.db2.gz JISDKOWVSBVPAE-IRXDYDNUSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927076 721850325 /nfs/dbraw/zinc/85/03/25/721850325.db2.gz JISDKOWVSBVPAE-IRXDYDNUSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927076 721850326 /nfs/dbraw/zinc/85/03/26/721850326.db2.gz JISDKOWVSBVPAE-IRXDYDNUSA-N 1 3 359.522 0.443 20 0 FCADHO O=S(=O)(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000379845928 836049652 /nfs/dbraw/zinc/04/96/52/836049652.db2.gz FLAYQANRGWQTDL-QGZVFWFLSA-N 1 3 352.504 0.638 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257009 844122343 /nfs/dbraw/zinc/12/23/43/844122343.db2.gz CQCITNVSVXQDMY-NUJGCVRESA-N 1 3 359.486 0.456 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257009 844122345 /nfs/dbraw/zinc/12/23/45/844122345.db2.gz CQCITNVSVXQDMY-NUJGCVRESA-N 1 3 359.486 0.456 20 0 FCADHO CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352630 844155838 /nfs/dbraw/zinc/15/58/38/844155838.db2.gz IDSQJFWUSPNQKK-MDZRGWNJSA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC2)CC[N@@H+]1C ZINC001063365257 836765140 /nfs/dbraw/zinc/76/51/40/836765140.db2.gz OEYFUNMLNVDKDY-FVQBIDKESA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC2)CC[N@H+]1C ZINC001063365257 836765145 /nfs/dbraw/zinc/76/51/45/836765145.db2.gz OEYFUNMLNVDKDY-FVQBIDKESA-N 1 3 350.507 0.822 20 0 FCADHO O=C(N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219542 838823117 /nfs/dbraw/zinc/82/31/17/838823117.db2.gz UDVCIDQVXAXCPI-BRWVUGGUSA-N 1 3 351.491 0.450 20 0 FCADHO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047711 844394286 /nfs/dbraw/zinc/39/42/86/844394286.db2.gz QWRKLCCJMIDGGK-QGPMSJSTSA-N 1 3 352.523 0.878 20 0 FCADHO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047711 844394295 /nfs/dbraw/zinc/39/42/95/844394295.db2.gz QWRKLCCJMIDGGK-QGPMSJSTSA-N 1 3 352.523 0.878 20 0 FCADHO CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047604 844394777 /nfs/dbraw/zinc/39/47/77/844394777.db2.gz MUCUCBKUPLGQRD-KYJSFNMBSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047604 844394785 /nfs/dbraw/zinc/39/47/85/844394785.db2.gz MUCUCBKUPLGQRD-KYJSFNMBSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047646 844394906 /nfs/dbraw/zinc/39/49/06/844394906.db2.gz OHETWIONLVMSMZ-FRFSOERESA-N 1 3 352.523 0.925 20 0 FCADHO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051903 844397962 /nfs/dbraw/zinc/39/79/62/844397962.db2.gz SDDWHSVZEPIZMP-RBSFLKMASA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051903 844397973 /nfs/dbraw/zinc/39/79/73/844397973.db2.gz SDDWHSVZEPIZMP-RBSFLKMASA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077923801 839234619 /nfs/dbraw/zinc/23/46/19/839234619.db2.gz FGNSHTLYRZVOJY-CGTJXYLNSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369843 844477628 /nfs/dbraw/zinc/47/76/28/844477628.db2.gz IHXCOAAFIYJHHI-GVDBMIGSSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369843 844477631 /nfs/dbraw/zinc/47/76/31/844477631.db2.gz IHXCOAAFIYJHHI-GVDBMIGSSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433724 844497528 /nfs/dbraw/zinc/49/75/28/844497528.db2.gz DKRVFNWDLYAHFG-OIISXLGYSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486575 844522422 /nfs/dbraw/zinc/52/24/22/844522422.db2.gz LVCAHDTWAVDOEH-IIAWOOMASA-N 1 3 354.495 0.045 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082448063 840415470 /nfs/dbraw/zinc/41/54/70/840415470.db2.gz BVNQODSDDHKHKR-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082557240 840463447 /nfs/dbraw/zinc/46/34/47/840463447.db2.gz UFSMGRQLLDWJCR-BRWVUGGUSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082557240 840463457 /nfs/dbraw/zinc/46/34/57/840463457.db2.gz UFSMGRQLLDWJCR-BRWVUGGUSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082561580 840466551 /nfs/dbraw/zinc/46/65/51/840466551.db2.gz CEZLXLAFSVZXJR-BFYDXBDKSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082562222 840466605 /nfs/dbraw/zinc/46/66/05/840466605.db2.gz YJQNROSVVAZOTJ-RHSMWYFYSA-N 1 3 371.547 0.732 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1)N(C)C ZINC001082588960 840477383 /nfs/dbraw/zinc/47/73/83/840477383.db2.gz AEGJMTQMHWMTPC-BPLDGKMQSA-N 1 3 354.520 0.995 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511502 844543374 /nfs/dbraw/zinc/54/33/74/844543374.db2.gz ZMDPOBAGMSCHAM-HUUCEWRRSA-N 1 3 356.511 0.163 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514404 844546366 /nfs/dbraw/zinc/54/63/66/844546366.db2.gz WGSOBUFZUHPQBV-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514404 844546370 /nfs/dbraw/zinc/54/63/70/844546370.db2.gz WGSOBUFZUHPQBV-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515372 844546418 /nfs/dbraw/zinc/54/64/18/844546418.db2.gz QIIWTBXOLVUYBC-HZPDHXFCSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(CCOCC(F)(F)F)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102514406 844546664 /nfs/dbraw/zinc/54/66/64/844546664.db2.gz WHMNBRKJOQWXDJ-ZIAGYGMSSA-N 1 3 369.428 0.828 20 0 FCADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520887 844550097 /nfs/dbraw/zinc/55/00/97/844550097.db2.gz GKABHWUTYOEDHW-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO C[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CC[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083182911 840780513 /nfs/dbraw/zinc/78/05/13/840780513.db2.gz CTJUNLNDTXVUSQ-RYQLBKOJSA-N 1 3 351.491 0.666 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@H]1COC(C)(C)O1)C2 ZINC001275812757 861203721 /nfs/dbraw/zinc/20/37/21/861203721.db2.gz HZDODYZSGCYHMC-YJBOKZPZSA-N 1 3 355.479 0.250 20 0 FCADHO CCNC(=O)CN1CC[C@]2(CCCN2CC2(C)CC[NH+](C)CC2)C1=O ZINC001275834190 861219503 /nfs/dbraw/zinc/21/95/03/861219503.db2.gz ZOMLHWSBXOEVIE-LJQANCHMSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001088317830 842568748 /nfs/dbraw/zinc/56/87/48/842568748.db2.gz PLIQJZYBPPHKJY-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001088317830 842568753 /nfs/dbraw/zinc/56/87/53/842568753.db2.gz PLIQJZYBPPHKJY-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCCN1CCCC1=O ZINC001088836296 842690886 /nfs/dbraw/zinc/69/08/86/842690886.db2.gz OPFGPABXUKQQOU-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092658456 843268884 /nfs/dbraw/zinc/26/88/84/843268884.db2.gz VWOQABCEGFPQLA-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092658456 843268888 /nfs/dbraw/zinc/26/88/88/843268888.db2.gz VWOQABCEGFPQLA-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672250 843272045 /nfs/dbraw/zinc/27/20/45/843272045.db2.gz XDKOQHKGBWVSHR-BRWVUGGUSA-N 1 3 352.523 0.737 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672250 843272055 /nfs/dbraw/zinc/27/20/55/843272055.db2.gz XDKOQHKGBWVSHR-BRWVUGGUSA-N 1 3 352.523 0.737 20 0 FCADHO CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001276309345 861405867 /nfs/dbraw/zinc/40/58/67/861405867.db2.gz WLQNBYQFRZWTKW-KZNAEPCWSA-N 1 3 350.507 0.872 20 0 FCADHO CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001276309345 861405869 /nfs/dbraw/zinc/40/58/69/861405869.db2.gz WLQNBYQFRZWTKW-KZNAEPCWSA-N 1 3 350.507 0.872 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097519 843387611 /nfs/dbraw/zinc/38/76/11/843387611.db2.gz GRJONPSTXAWCDY-HLLBOEOZSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094074510 843508673 /nfs/dbraw/zinc/50/86/73/843508673.db2.gz DUNCSAOALZVWON-UKRRQHHQSA-N 1 3 368.503 0.461 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088189 844699169 /nfs/dbraw/zinc/69/91/69/844699169.db2.gz XBDXJFINVVBQRH-DDUZABMNSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088189 844699174 /nfs/dbraw/zinc/69/91/74/844699174.db2.gz XBDXJFINVVBQRH-DDUZABMNSA-N 1 3 350.507 0.679 20 0 FCADHO COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250059 844727591 /nfs/dbraw/zinc/72/75/91/844727591.db2.gz ZRBFVDCNMMXVCT-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250059 844727594 /nfs/dbraw/zinc/72/75/94/844727594.db2.gz ZRBFVDCNMMXVCT-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001103613943 844787605 /nfs/dbraw/zinc/78/76/05/844787605.db2.gz CPMOJKSIRGOXKS-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001103613943 844787606 /nfs/dbraw/zinc/78/76/06/844787606.db2.gz CPMOJKSIRGOXKS-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104291170 844890981 /nfs/dbraw/zinc/89/09/81/844890981.db2.gz KRUCEDOYXDSEAV-FVQBIDKESA-N 1 3 359.536 0.445 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104809696 844946450 /nfs/dbraw/zinc/94/64/50/844946450.db2.gz OPYWSGGMRUEMBE-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105642924 845007252 /nfs/dbraw/zinc/00/72/52/845007252.db2.gz OUOACZCGARFBQY-NNFUDEMPSA-N 1 3 355.523 0.675 20 0 FCADHO CC(C)[C@@H]1N(C(=O)Cc2c[nH]cn2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655570 845010455 /nfs/dbraw/zinc/01/04/55/845010455.db2.gz JFEMQFWIYVOLEK-LMSBXDPUSA-N 1 3 350.463 0.301 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105667277 845014030 /nfs/dbraw/zinc/01/40/30/845014030.db2.gz AFOFIIBBCBKPJK-PSBWJHGTSA-N 1 3 355.523 0.677 20 0 FCADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134291 845110957 /nfs/dbraw/zinc/11/09/57/845110957.db2.gz YMHQPCMHODKAFM-BRWVUGGUSA-N 1 3 355.523 0.942 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106198578 845129578 /nfs/dbraw/zinc/12/95/78/845129578.db2.gz FZCMTWGMTKHQHT-IIAWOOMASA-N 1 3 354.474 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106255971 845144070 /nfs/dbraw/zinc/14/40/70/845144070.db2.gz RZEQFWGZWMIQRF-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106340110 845159112 /nfs/dbraw/zinc/15/91/12/845159112.db2.gz LZLCFHXWQRQYQS-HUUCEWRRSA-N 1 3 353.511 0.426 20 0 FCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453023 845176874 /nfs/dbraw/zinc/17/68/74/845176874.db2.gz BNERIBLUOFYRDZ-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001106599192 845202357 /nfs/dbraw/zinc/20/23/57/845202357.db2.gz CIPGSXXINFFSSM-CHWSQXEVSA-N 1 3 368.507 0.503 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNCc1nncn1C ZINC001106672027 845221689 /nfs/dbraw/zinc/22/16/89/845221689.db2.gz AJFNAWSZOGHHQZ-HUUCEWRRSA-N 1 3 350.511 0.977 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CNCc1nncn1C ZINC001106672027 845221693 /nfs/dbraw/zinc/22/16/93/845221693.db2.gz AJFNAWSZOGHHQZ-HUUCEWRRSA-N 1 3 350.511 0.977 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1)N(C)C ZINC001106673864 845223617 /nfs/dbraw/zinc/22/36/17/845223617.db2.gz OAZUXWULGPWMKX-OIISXLGYSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106779955 845251161 /nfs/dbraw/zinc/25/11/61/845251161.db2.gz ZMQONRFUPQGAFB-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1 ZINC001106785178 845253173 /nfs/dbraw/zinc/25/31/73/845253173.db2.gz YSUYVTIRRXIRHL-HZPDHXFCSA-N 1 3 361.552 0.837 20 0 FCADHO CCn1ccnc1CNC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106877878 845276908 /nfs/dbraw/zinc/27/69/08/845276908.db2.gz BUSIOWBWJXZMRS-HZPDHXFCSA-N 1 3 351.495 0.665 20 0 FCADHO C[C@@H](NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106880584 845277672 /nfs/dbraw/zinc/27/76/72/845277672.db2.gz KVPZKSUYKPLYHQ-RBSFLKMASA-N 1 3 352.483 0.138 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNCc1ncc(Cl)n1C ZINC001106878642 845277750 /nfs/dbraw/zinc/27/77/50/845277750.db2.gz UZQZKJXVFXTDHC-ZIAGYGMSSA-N 1 3 371.913 0.836 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCn2nc(C)nc2C)[C@H](C)C1 ZINC001106910971 845284217 /nfs/dbraw/zinc/28/42/17/845284217.db2.gz YEMDDHRVJKOTAG-RHSMWYFYSA-N 1 3 350.511 0.921 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609209 845407358 /nfs/dbraw/zinc/40/73/58/845407358.db2.gz IGQMWTZSKJDAAH-GPMSIDNRSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609209 845407363 /nfs/dbraw/zinc/40/73/63/845407363.db2.gz IGQMWTZSKJDAAH-GPMSIDNRSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902549 845756675 /nfs/dbraw/zinc/75/66/75/845756675.db2.gz PMGKXXFVNMUJAR-LMSBXDPUSA-N 1 3 353.507 0.980 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798134 861613352 /nfs/dbraw/zinc/61/33/52/861613352.db2.gz AYKDBNXPTOTROQ-MAUKXSAKSA-N 1 3 357.495 0.027 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001112009692 846294705 /nfs/dbraw/zinc/29/47/05/846294705.db2.gz PFIXEAYWPDCZEA-IYOUNJFTSA-N 1 3 350.463 0.103 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001112009692 846294717 /nfs/dbraw/zinc/29/47/17/846294717.db2.gz PFIXEAYWPDCZEA-IYOUNJFTSA-N 1 3 350.463 0.103 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112155853 846423069 /nfs/dbraw/zinc/42/30/69/846423069.db2.gz NGUHHYDJHQSRJE-CHWSQXEVSA-N 1 3 362.400 0.599 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001112413545 846501792 /nfs/dbraw/zinc/50/17/92/846501792.db2.gz SVOXBDNUCIVQRG-IEZWGBDMSA-N 1 3 352.523 0.879 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529471 846516508 /nfs/dbraw/zinc/51/65/08/846516508.db2.gz AQZRGRCIRRLIRF-BXWFABGCSA-N 1 3 350.507 0.683 20 0 FCADHO C[C@H](CO)C[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276973282 861717179 /nfs/dbraw/zinc/71/71/79/861717179.db2.gz BQYPOUQNMFJEQB-PKOBYXMFSA-N 1 3 352.523 0.319 20 0 FCADHO C[C@H](CO)C[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276973282 861717188 /nfs/dbraw/zinc/71/71/88/861717188.db2.gz BQYPOUQNMFJEQB-PKOBYXMFSA-N 1 3 352.523 0.319 20 0 FCADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H](N)C(C)(C)O ZINC001121928846 848419690 /nfs/dbraw/zinc/41/96/90/848419690.db2.gz VDIZOGBVCMBAJG-QGZVFWFLSA-N 1 3 354.539 0.739 20 0 FCADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706559 848732591 /nfs/dbraw/zinc/73/25/91/848732591.db2.gz MZIFXIZIRSFGJU-HRCADAONSA-N 1 3 356.511 0.354 20 0 FCADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706559 848732599 /nfs/dbraw/zinc/73/25/99/848732599.db2.gz MZIFXIZIRSFGJU-HRCADAONSA-N 1 3 356.511 0.354 20 0 FCADHO CCCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386132 848837390 /nfs/dbraw/zinc/83/73/90/848837390.db2.gz YGKJGIVCSVADQB-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129994367 848928027 /nfs/dbraw/zinc/92/80/27/848928027.db2.gz KGIZAXZGKVQERL-OWCLPIDISA-N 1 3 352.483 0.242 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130106968 848945827 /nfs/dbraw/zinc/94/58/27/848945827.db2.gz BMIOPEKDXVXKPY-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130137233 848951379 /nfs/dbraw/zinc/95/13/79/848951379.db2.gz OVCAVCWBGPHLNM-OLZOCXBDSA-N 1 3 362.400 0.912 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)N(C)C ZINC001130611850 849018865 /nfs/dbraw/zinc/01/88/65/849018865.db2.gz IYSKPGZFIMIOAO-UAGQMJEPSA-N 1 3 351.495 0.273 20 0 FCADHO CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131573469 849125890 /nfs/dbraw/zinc/12/58/90/849125890.db2.gz ZKQBUDRJUOHBAE-AEFFLSMTSA-N 1 3 350.463 0.974 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131608436 849130272 /nfs/dbraw/zinc/13/02/72/849130272.db2.gz ANUAPBOEGRHLRM-UNEWFSDZSA-N 1 3 354.495 0.186 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551186 849271409 /nfs/dbraw/zinc/27/14/09/849271409.db2.gz BCDWYGINLIZJTK-XMTFNYHQSA-N 1 3 352.523 0.316 20 0 FCADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277695617 862000310 /nfs/dbraw/zinc/00/03/10/862000310.db2.gz QEMAJYJAQAXHOL-RISCZKNCSA-N 1 3 351.369 0.312 20 0 FCADHO CN1CCN(CCC(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001143238070 849479671 /nfs/dbraw/zinc/47/96/71/849479671.db2.gz WMSVHZFZYZTOHO-UHFFFAOYSA-N 1 3 370.295 0.388 20 0 FCADHO N=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001157099689 849947339 /nfs/dbraw/zinc/94/73/39/849947339.db2.gz SYHGTTSNFDJXQV-UHFFFAOYSA-N 1 3 354.480 0.931 20 0 FCADHO CC1([NH3+])CN(C(=O)[C@@H](N)Cc2ccc(I)cc2)C1 ZINC001157644790 849985513 /nfs/dbraw/zinc/98/55/13/849985513.db2.gz ZIVZXSQMXPUTOF-NSHDSACASA-N 1 3 359.211 0.721 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157721267 849989238 /nfs/dbraw/zinc/98/92/38/849989238.db2.gz WJNHTQSDJUVMOS-XGUBFFRZSA-N 1 3 374.551 0.045 20 0 FCADHO COC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157922343 850004865 /nfs/dbraw/zinc/00/48/65/850004865.db2.gz LWXVSDSMRPGCQI-JYJNAYRXSA-N 1 3 354.495 0.461 20 0 FCADHO [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158083111 850016710 /nfs/dbraw/zinc/01/67/10/850016710.db2.gz UUAJEGYXXYQQCM-LBPRGKRZSA-N 1 3 364.412 0.892 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1(N)CC(F)C1)C2 ZINC001158383423 850043650 /nfs/dbraw/zinc/04/36/50/850043650.db2.gz PIJYBXHDPKADKC-SXNPUNGBSA-N 1 3 367.343 0.359 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2nccs2)CC[N@@H+]1C ZINC001158404240 850047455 /nfs/dbraw/zinc/04/74/55/850047455.db2.gz SJFLHMBQPTXLOH-QWHCGFSZSA-N 1 3 353.492 0.908 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2nccs2)CC[N@H+]1C ZINC001158404240 850047464 /nfs/dbraw/zinc/04/74/64/850047464.db2.gz SJFLHMBQPTXLOH-QWHCGFSZSA-N 1 3 353.492 0.908 20 0 FCADHO N[C@H](C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158576794 850060258 /nfs/dbraw/zinc/06/02/58/850060258.db2.gz DPKIHNIRVIERNA-ZNMIVQPWSA-N 1 3 355.454 0.782 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968688 850087902 /nfs/dbraw/zinc/08/79/02/850087902.db2.gz WJVBVAAUYSENHD-OAHLLOKOSA-N 1 3 351.495 0.629 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968688 850087907 /nfs/dbraw/zinc/08/79/07/850087907.db2.gz WJVBVAAUYSENHD-OAHLLOKOSA-N 1 3 351.495 0.629 20 0 FCADHO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001159127560 850096782 /nfs/dbraw/zinc/09/67/82/850096782.db2.gz TWGVJCJJORZVTQ-HIFRSBDPSA-N 1 3 350.467 0.092 20 0 FCADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001159481159 850117743 /nfs/dbraw/zinc/11/77/43/850117743.db2.gz IHQBZDKFWHKZFH-YPRHSBRXSA-N 1 3 371.547 0.289 20 0 FCADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001159481159 850117753 /nfs/dbraw/zinc/11/77/53/850117753.db2.gz IHQBZDKFWHKZFH-YPRHSBRXSA-N 1 3 371.547 0.289 20 0 FCADHO [NH3+]CCCNCC(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159857081 850141037 /nfs/dbraw/zinc/14/10/37/850141037.db2.gz VXWDTYFIJPUAFZ-DOTOQJQBSA-N 1 3 350.438 0.428 20 0 FCADHO [NH3+]CCCNCC(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857082 850141103 /nfs/dbraw/zinc/14/11/03/850141103.db2.gz VXWDTYFIJPUAFZ-NVXWUHKLSA-N 1 3 350.438 0.428 20 0 FCADHO CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159844873 850141313 /nfs/dbraw/zinc/14/13/13/850141313.db2.gz LGOUAKVOOVXOOE-CABCVRRESA-N 1 3 354.495 0.223 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159906211 850144212 /nfs/dbraw/zinc/14/42/12/850144212.db2.gz ZMXKNUPKKBXKFA-RZLSGREXSA-N 1 3 368.503 0.732 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201272 850158996 /nfs/dbraw/zinc/15/89/96/850158996.db2.gz FLGMUSMVZHJNBO-JKSUJKDBSA-N 1 3 350.507 0.988 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]3CCNC[C@@H]3F)C[C@H]1C2 ZINC001160795270 850199641 /nfs/dbraw/zinc/19/96/41/850199641.db2.gz VXJSKRJLUPUBLR-YQBONMRBSA-N 1 3 353.438 0.181 20 0 FCADHO CN(Cc1cncs1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161065016 850226933 /nfs/dbraw/zinc/22/69/33/850226933.db2.gz OBVGAQQYUKUVTJ-KBPBESRZSA-N 1 3 353.492 0.549 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(N2CCCOC2=O)CC1 ZINC001161264694 850245114 /nfs/dbraw/zinc/24/51/14/850245114.db2.gz RFOYTJRWRYNAIR-HNNXBMFYSA-N 1 3 350.463 0.694 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(N2CCCOC2=O)CC1 ZINC001161264694 850245123 /nfs/dbraw/zinc/24/51/23/850245123.db2.gz RFOYTJRWRYNAIR-HNNXBMFYSA-N 1 3 350.463 0.694 20 0 FCADHO O=C(N1CC[C@@H](n2cc(Br)cn2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161519661 850266372 /nfs/dbraw/zinc/26/63/72/850266372.db2.gz BMSYFQKFGIJAMO-UXIGCNINSA-N 1 3 368.279 0.618 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2ncc(Br)c2C1 ZINC001161526765 850267595 /nfs/dbraw/zinc/26/75/95/850267595.db2.gz SDXBTLZGFDBMLW-GFCCVEGCSA-N 1 3 368.279 0.862 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2ncc(Br)c2C1 ZINC001161526765 850267609 /nfs/dbraw/zinc/26/76/09/850267609.db2.gz SDXBTLZGFDBMLW-GFCCVEGCSA-N 1 3 368.279 0.862 20 0 FCADHO C[C@H](CN)C[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181412 850609009 /nfs/dbraw/zinc/60/90/09/850609009.db2.gz PDZJZQKJSJHUCW-OLZOCXBDSA-N 1 3 350.467 0.177 20 0 FCADHO CCN1CCC([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001169254508 850610092 /nfs/dbraw/zinc/61/00/92/850610092.db2.gz ZJHXYAXYYQJIAI-SJLPKXTDSA-N 1 3 352.523 0.582 20 0 FCADHO CCN1CCC([N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001169254508 850610094 /nfs/dbraw/zinc/61/00/94/850610094.db2.gz ZJHXYAXYYQJIAI-SJLPKXTDSA-N 1 3 352.523 0.582 20 0 FCADHO C[NH+](C)CCN1CCN(C2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001172892369 850714799 /nfs/dbraw/zinc/71/47/99/850714799.db2.gz NLKQMEKXJHGVED-UHFFFAOYSA-N 1 3 354.539 0.972 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188897197 851732403 /nfs/dbraw/zinc/73/24/03/851732403.db2.gz TUSDJJRXGPJGFE-OKZBNKHCSA-N 1 3 353.507 0.650 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188897197 851732406 /nfs/dbraw/zinc/73/24/06/851732406.db2.gz TUSDJJRXGPJGFE-OKZBNKHCSA-N 1 3 353.507 0.650 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001189913142 851841582 /nfs/dbraw/zinc/84/15/82/851841582.db2.gz MWCHYQPBAHWPJT-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001189913142 851841592 /nfs/dbraw/zinc/84/15/92/851841592.db2.gz MWCHYQPBAHWPJT-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001190371242 851899121 /nfs/dbraw/zinc/89/91/21/851899121.db2.gz RLVFNFNTSLZJNV-GVDBMIGSSA-N 1 3 350.507 0.869 20 0 FCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001190371242 851899127 /nfs/dbraw/zinc/89/91/27/851899127.db2.gz RLVFNFNTSLZJNV-GVDBMIGSSA-N 1 3 350.507 0.869 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001198037901 853208083 /nfs/dbraw/zinc/20/80/83/853208083.db2.gz AGNPCQJSUZOUFJ-ZIAGYGMSSA-N 1 3 369.428 0.849 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001198037901 853208086 /nfs/dbraw/zinc/20/80/86/853208086.db2.gz AGNPCQJSUZOUFJ-ZIAGYGMSSA-N 1 3 369.428 0.849 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001199018385 853356991 /nfs/dbraw/zinc/35/69/91/853356991.db2.gz XLTBBDGWSUMART-KZNAEPCWSA-N 1 3 353.507 0.839 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@H]1CCCCO1)CC2 ZINC001207954489 853875942 /nfs/dbraw/zinc/87/59/42/853875942.db2.gz JDDLBFLNVQUQBX-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO CCN(C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070310 853890864 /nfs/dbraw/zinc/89/08/64/853890864.db2.gz IVOQGHRRSKGIQI-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070310 853890866 /nfs/dbraw/zinc/89/08/66/853890866.db2.gz IVOQGHRRSKGIQI-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001210179533 854087164 /nfs/dbraw/zinc/08/71/64/854087164.db2.gz PILCOAXUEHTOFV-CRAIPNDOSA-N 1 3 353.507 0.554 20 0 FCADHO Cc1cc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210321458 854100381 /nfs/dbraw/zinc/10/03/81/854100381.db2.gz AQVAWOIUWSCDTK-RHSMWYFYSA-N 1 3 351.495 0.515 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001214755093 855002771 /nfs/dbraw/zinc/00/27/71/855002771.db2.gz RFYODNYISQXLGD-BZUAXINKSA-N 1 3 358.502 0.875 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C1CC1 ZINC001214847426 855022113 /nfs/dbraw/zinc/02/21/13/855022113.db2.gz DSYFHRSGOFLEHV-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214855660 855023407 /nfs/dbraw/zinc/02/34/07/855023407.db2.gz JXQHDJHVFFFRCK-QBIMZIAESA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)N(C)C ZINC001214949981 855038522 /nfs/dbraw/zinc/03/85/22/855038522.db2.gz IADLDWPMNCVSEA-FVQBIDKESA-N 1 3 354.495 0.058 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCCc1cccs1 ZINC001215463493 855118016 /nfs/dbraw/zinc/11/80/16/855118016.db2.gz ZMKHJDMDWVUMCG-GDBMZVCRSA-N 1 3 366.531 0.795 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCc1cccs1 ZINC001215463224 855118344 /nfs/dbraw/zinc/11/83/44/855118344.db2.gz NGGTYAQNJCPCDX-UKRRQHHQSA-N 1 3 352.504 0.753 20 0 FCADHO C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCCCC1 ZINC001215774379 855144420 /nfs/dbraw/zinc/14/44/20/855144420.db2.gz NMADVJDBBUROTG-BFYDXBDKSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215781954 855145565 /nfs/dbraw/zinc/14/55/65/855145565.db2.gz QCVVDEQEZSRKTH-CKEIUWERSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1NCCS(C)(=O)=O ZINC001215930296 855157601 /nfs/dbraw/zinc/15/76/01/855157601.db2.gz WOOOVFJYKIWEIF-RHSMWYFYSA-N 1 3 367.515 0.843 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216001744 855164346 /nfs/dbraw/zinc/16/43/46/855164346.db2.gz JCDJSRWYZSRDNS-HUUCEWRRSA-N 1 3 362.540 0.046 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090950 855168871 /nfs/dbraw/zinc/16/88/71/855168871.db2.gz QLEYYQKNAYCJKF-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226307 855182095 /nfs/dbraw/zinc/18/20/95/855182095.db2.gz RYGKGYLRRIHMNF-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226307 855182099 /nfs/dbraw/zinc/18/20/99/855182099.db2.gz RYGKGYLRRIHMNF-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001216754386 855233090 /nfs/dbraw/zinc/23/30/90/855233090.db2.gz RWQTYQNJZFVWBN-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001216754386 855233097 /nfs/dbraw/zinc/23/30/97/855233097.db2.gz RWQTYQNJZFVWBN-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1cccs1 ZINC001216752557 855233147 /nfs/dbraw/zinc/23/31/47/855233147.db2.gz TXOFXCIELDFCGJ-IJEWVQPXSA-N 1 3 364.515 0.753 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1cccs1 ZINC001216752557 855233157 /nfs/dbraw/zinc/23/31/57/855233157.db2.gz TXOFXCIELDFCGJ-IJEWVQPXSA-N 1 3 364.515 0.753 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216844998 855256655 /nfs/dbraw/zinc/25/66/55/855256655.db2.gz SVJIEYHMFDEKKJ-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO COCCCCN1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001217915067 855382112 /nfs/dbraw/zinc/38/21/12/855382112.db2.gz IQZHABRKUOAKHR-OKZBNKHCSA-N 1 3 351.491 0.666 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218017268 855389504 /nfs/dbraw/zinc/38/95/04/855389504.db2.gz TWWGTMAGCUJVCN-ZJUUUORDSA-N 1 3 356.398 0.230 20 0 FCADHO O=C(Nc1[nH]nc2ncc(Br)cc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218563365 855439231 /nfs/dbraw/zinc/43/92/31/855439231.db2.gz LJIDXPDKSIVGOF-VIFPVBQESA-N 1 3 351.208 0.468 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566497 855440160 /nfs/dbraw/zinc/44/01/60/855440160.db2.gz ILNWEEMQEDISSV-JTQLQIEISA-N 1 3 369.267 0.911 20 0 FCADHO N[C@H](C(=O)Nc1ncnn2c(Br)ccc12)C1CC[NH2+]CC1 ZINC001218568058 855441298 /nfs/dbraw/zinc/44/12/98/855441298.db2.gz YHHGNKCNESTVPG-NSHDSACASA-N 1 3 353.224 0.179 20 0 FCADHO O=C(Nc1cn2cc(Br)ccc2n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218589706 855444626 /nfs/dbraw/zinc/44/46/26/855444626.db2.gz UKAQNHRQGWWZPM-SNVBAGLBSA-N 1 3 350.220 0.844 20 0 FCADHO CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001218798763 855480552 /nfs/dbraw/zinc/48/05/52/855480552.db2.gz YWPQPJSBNXWICY-NSHDSACASA-N 1 3 364.475 0.796 20 0 FCADHO CCOC(=O)c1sc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1C1CC1 ZINC001218805592 855481455 /nfs/dbraw/zinc/48/14/55/855481455.db2.gz ZBFWZPHHVFIHFS-JTQLQIEISA-N 1 3 350.444 0.945 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N1CCO[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 ZINC001219052392 855528079 /nfs/dbraw/zinc/52/80/79/855528079.db2.gz YHTWPTYTWUDRRE-OKZBNKHCSA-N 1 3 351.491 0.811 20 0 FCADHO O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219565967 855717008 /nfs/dbraw/zinc/71/70/08/855717008.db2.gz RBEIWJAUTDBIJA-SJKOYZFVSA-N 1 3 364.881 0.414 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580711 855721455 /nfs/dbraw/zinc/72/14/55/855721455.db2.gz QSWYKGAQNBQFKL-AVGNSLFASA-N 1 3 360.252 0.026 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635495 855748143 /nfs/dbraw/zinc/74/81/43/855748143.db2.gz JHLTYCQNKXGFMC-IHRRRGAJSA-N 1 3 351.426 0.125 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219650688 855756029 /nfs/dbraw/zinc/75/60/29/855756029.db2.gz PPVSXWIWVRHPRU-YXMSTPNBSA-N 1 3 372.579 0.960 20 0 FCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743755 855795194 /nfs/dbraw/zinc/79/51/94/855795194.db2.gz LFFBPQDJFUZWAH-UONOGXRCSA-N 1 3 355.479 0.853 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001219829856 855834931 /nfs/dbraw/zinc/83/49/31/855834931.db2.gz GPNWNPXVNBEKEZ-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001219829856 855834935 /nfs/dbraw/zinc/83/49/35/855834935.db2.gz GPNWNPXVNBEKEZ-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO CCOC(=O)C(=CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)OCC ZINC001220043276 855931695 /nfs/dbraw/zinc/93/16/95/855931695.db2.gz LUHRSZZBCNFPDU-AWEZNQCLSA-N 1 3 357.451 0.608 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCOC(F)(F)F ZINC001220139819 855979215 /nfs/dbraw/zinc/97/92/15/855979215.db2.gz XCOPRTURDSTAOI-QWRGUYRKSA-N 1 3 354.373 0.086 20 0 FCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCCN(C)C1 ZINC001220160014 855988465 /nfs/dbraw/zinc/98/84/65/855988465.db2.gz UYYKFQFVMLJYSC-AJNGGQMLSA-N 1 3 358.552 0.808 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)CCNC1 ZINC001220521983 856164402 /nfs/dbraw/zinc/16/44/02/856164402.db2.gz WERVVGCRMAZURK-FZKQIMNGSA-N 1 3 351.447 0.462 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CCNC1 ZINC001220521984 856164723 /nfs/dbraw/zinc/16/47/23/856164723.db2.gz WERVVGCRMAZURK-SCLBCKFNSA-N 1 3 351.447 0.462 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CCNC1 ZINC001220521610 856165211 /nfs/dbraw/zinc/16/52/11/856165211.db2.gz JVVBNAGFXPEOQX-UGSOOPFHSA-N 1 3 351.447 0.462 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606731 856202908 /nfs/dbraw/zinc/20/29/08/856202908.db2.gz CJSKAXQEFGPZEY-RYUDHWBXSA-N 1 3 358.236 0.846 20 0 FCADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001279247186 862789017 /nfs/dbraw/zinc/78/90/17/862789017.db2.gz RHLMIIKLXYBSMU-UHFFFAOYSA-N 1 3 352.523 0.585 20 0 FCADHO [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CC[C@H](N3CCOCC3)CC2)C1=O ZINC001221056357 856438110 /nfs/dbraw/zinc/43/81/10/856438110.db2.gz OWUQCTZMUBMHMQ-JYJNAYRXSA-N 1 3 352.479 0.086 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221073110 856448945 /nfs/dbraw/zinc/44/89/45/856448945.db2.gz GODAFMGVUALMJN-KURKYZTESA-N 1 3 353.507 0.840 20 0 FCADHO COCCOc1nccc(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n1 ZINC001221158100 856490254 /nfs/dbraw/zinc/49/02/54/856490254.db2.gz TUQNKTYUVWOKKQ-HNNXBMFYSA-N 1 3 353.467 0.614 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001221311894 856546021 /nfs/dbraw/zinc/54/60/21/856546021.db2.gz NORCGKZWDVGVEK-LBPRGKRZSA-N 1 3 364.427 0.706 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221921597 856734320 /nfs/dbraw/zinc/73/43/20/856734320.db2.gz AXGQHUARPUDLLT-FGTMMUONSA-N 1 3 355.523 0.894 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221921597 856734327 /nfs/dbraw/zinc/73/43/27/856734327.db2.gz AXGQHUARPUDLLT-FGTMMUONSA-N 1 3 355.523 0.894 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(CCNC(=O)C3CC3)[C@H]2C1 ZINC001223846663 856947057 /nfs/dbraw/zinc/94/70/57/856947057.db2.gz QKZUOVAGSFESDI-WBVHZDCISA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(CCNC(=O)C3CC3)[C@H]2C1 ZINC001223846663 856947060 /nfs/dbraw/zinc/94/70/60/856947060.db2.gz QKZUOVAGSFESDI-WBVHZDCISA-N 1 3 350.507 0.777 20 0 FCADHO CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297114 857095942 /nfs/dbraw/zinc/09/59/42/857095942.db2.gz PRURPMOZGMGSCX-BRWVUGGUSA-N 1 3 350.507 0.871 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC[N@@H+]1C ZINC001226333494 857097606 /nfs/dbraw/zinc/09/76/06/857097606.db2.gz KNGUJCPDQQSOFZ-ZJIFWQFVSA-N 1 3 359.536 0.778 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC[N@H+]1C ZINC001226333494 857097612 /nfs/dbraw/zinc/09/76/12/857097612.db2.gz KNGUJCPDQQSOFZ-ZJIFWQFVSA-N 1 3 359.536 0.778 20 0 FCADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001226766303 857124902 /nfs/dbraw/zinc/12/49/02/857124902.db2.gz LPCOGMRBRDMQIV-YNEHKIRRSA-N 1 3 353.467 0.071 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001228365997 857206130 /nfs/dbraw/zinc/20/61/30/857206130.db2.gz LFYREEPOOVJZBY-HZPDHXFCSA-N 1 3 354.495 0.250 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229230929 857260172 /nfs/dbraw/zinc/26/01/72/857260172.db2.gz KJSMOFARMSRPEG-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001229503515 857272772 /nfs/dbraw/zinc/27/27/72/857272772.db2.gz JXDHMMAFYUNQMQ-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001229503515 857272777 /nfs/dbraw/zinc/27/27/77/857272777.db2.gz JXDHMMAFYUNQMQ-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CCOC(=O)[C@H]1CN(Cc2nc3c(s2)CNCC3)CCC12C[NH2+]C2 ZINC001237430652 857453058 /nfs/dbraw/zinc/45/30/58/857453058.db2.gz LQVXCXQJBTVRBO-GFCCVEGCSA-N 1 3 350.488 0.763 20 0 FCADHO O=S(=O)([C@H]1CC[NH2+]C1)N1CCCn2cnc(CNC3CCCC3)c2C1 ZINC001239082795 857510137 /nfs/dbraw/zinc/51/01/37/857510137.db2.gz OBYIYAWUVYDNHP-HNNXBMFYSA-N 1 3 367.519 0.813 20 0 FCADHO CCOC(=O)C1CCC(O)(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)CC1 ZINC001246022794 857564286 /nfs/dbraw/zinc/56/42/86/857564286.db2.gz BMVFAIUPLGUAQM-AVAKVYKDSA-N 1 3 353.507 0.888 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697124 857590595 /nfs/dbraw/zinc/59/05/95/857590595.db2.gz UBZKASKKBIFBKO-IKGGRYGDSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697124 857590602 /nfs/dbraw/zinc/59/06/02/857590602.db2.gz UBZKASKKBIFBKO-IKGGRYGDSA-N 1 3 351.491 0.714 20 0 FCADHO c1csc(COCc2nn([C@H]3CCNC4(C[NH2+]C4)C3)c3c2CNC3)n1 ZINC001246704574 857592198 /nfs/dbraw/zinc/59/21/98/857592198.db2.gz KRWPLEBQBUBCCL-LBPRGKRZSA-N 1 3 360.487 0.926 20 0 FCADHO C[NH+](C)CCNC(=S)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001249833744 857650273 /nfs/dbraw/zinc/65/02/73/857650273.db2.gz XJHMRZNFDKHVRK-SJORKVTESA-N 1 3 363.531 0.793 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204037 857872797 /nfs/dbraw/zinc/87/27/97/857872797.db2.gz OTCOPNNEGYARFU-IRXDYDNUSA-N 1 3 351.491 0.644 20 0 FCADHO CCS(=O)(=O)N1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001253337714 857881410 /nfs/dbraw/zinc/88/14/10/857881410.db2.gz QHNBVRQPVKIGHO-UHFFFAOYSA-N 1 3 358.552 0.512 20 0 FCADHO COC1(CC(=O)N2C[C@H]3CN(CC4CC[NH2+]CC4)C[C@@H](C2)O3)CCC1 ZINC001279614630 862978873 /nfs/dbraw/zinc/97/88/73/862978873.db2.gz BGEQZOYHVDCWQM-CALCHBBNSA-N 1 3 351.491 0.857 20 0 FCADHO CN(C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256697021 858096330 /nfs/dbraw/zinc/09/63/30/858096330.db2.gz RJFJQPGNEREREP-WWDZGPRUSA-N 1 3 352.523 0.772 20 0 FCADHO CN(C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001256697021 858096341 /nfs/dbraw/zinc/09/63/41/858096341.db2.gz RJFJQPGNEREREP-WWDZGPRUSA-N 1 3 352.523 0.772 20 0 FCADHO CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(CC3CC[NH+](C)CC3)C2)C1 ZINC001279625641 862984956 /nfs/dbraw/zinc/98/49/56/862984956.db2.gz GUWSSDYFARYJRQ-QGZVFWFLSA-N 1 3 374.551 0.301 20 0 FCADHO CC(=O)N1CC2(C1)CN(C1CC[NH+](C(C)C)CC1)C[C@H]2C(=O)N(C)C ZINC001257223711 858127113 /nfs/dbraw/zinc/12/71/13/858127113.db2.gz XLFXVCWJEUTPKB-KRWDZBQOSA-N 1 3 350.507 0.728 20 0 FCADHO COC(=O)[C@@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)C[C@H]1C(=O)OC ZINC001257731976 858157997 /nfs/dbraw/zinc/15/79/97/858157997.db2.gz FPCZCLLHYBQQPU-ARFHVFGLSA-N 1 3 355.479 0.474 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCN2CCC(C)(C)C2)cn1 ZINC001262772695 859046410 /nfs/dbraw/zinc/04/64/10/859046410.db2.gz KIAYUMHGULMQFM-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264094555 859309002 /nfs/dbraw/zinc/30/90/02/859309002.db2.gz LOGRPKOAXSFXPL-OAGGEKHMSA-N 1 3 350.507 0.585 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001264552257 859383726 /nfs/dbraw/zinc/38/37/26/859383726.db2.gz PLXRPZMTOCPJGE-PBHICJAKSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCN1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001270332034 859719018 /nfs/dbraw/zinc/71/90/18/859719018.db2.gz DNWLATUHULRWIX-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001270332034 859719025 /nfs/dbraw/zinc/71/90/25/859719025.db2.gz DNWLATUHULRWIX-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001270489294 859769904 /nfs/dbraw/zinc/76/99/04/859769904.db2.gz FVZWTOSDWXBJNH-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001270489294 859769909 /nfs/dbraw/zinc/76/99/09/859769909.db2.gz FVZWTOSDWXBJNH-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@H](C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1)N1CCCC1 ZINC001270490659 859771181 /nfs/dbraw/zinc/77/11/81/859771181.db2.gz PSPIDCKZDOBGKZ-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822539 860272545 /nfs/dbraw/zinc/27/25/45/860272545.db2.gz YPJKKEYUKMJHSV-APWZRJJASA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001272822539 860272552 /nfs/dbraw/zinc/27/25/52/860272552.db2.gz YPJKKEYUKMJHSV-APWZRJJASA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515309 861119230 /nfs/dbraw/zinc/11/92/30/861119230.db2.gz KATLWIGJCUZEHP-IBGZPJMESA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515309 861119237 /nfs/dbraw/zinc/11/92/37/861119237.db2.gz KATLWIGJCUZEHP-IBGZPJMESA-N 1 3 352.523 0.583 20 0 FCADHO COC(C)(C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2 ZINC001280056060 863227618 /nfs/dbraw/zinc/22/76/18/863227618.db2.gz GGQXSOVNELJQPH-IXDOHACOSA-N 1 3 351.491 0.807 20 0 FCADHO COC(C)(C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2 ZINC001280056060 863227631 /nfs/dbraw/zinc/22/76/31/863227631.db2.gz GGQXSOVNELJQPH-IXDOHACOSA-N 1 3 351.491 0.807 20 0 FCADHO CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001281848400 863819178 /nfs/dbraw/zinc/81/91/78/863819178.db2.gz SSUGEPFMHGWYMR-BFYDXBDKSA-N 1 3 356.511 0.256 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001353109967 867350146 /nfs/dbraw/zinc/35/01/46/867350146.db2.gz NYKOEXFKNSPLTF-ZDUSSCGKSA-N 1 3 358.433 0.564 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001316596994 867361427 /nfs/dbraw/zinc/36/14/27/867361427.db2.gz SCVCFHJTKFWDNC-FRRDWIJNSA-N 1 3 366.428 0.832 20 0 FCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458405 867427448 /nfs/dbraw/zinc/42/74/48/867427448.db2.gz REOMPSFHCSWAFJ-HOTGVXAUSA-N 1 3 354.495 0.291 20 0 FCADHO CN1C[C@H](CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)OC1=O ZINC001324267919 869527255 /nfs/dbraw/zinc/52/72/55/869527255.db2.gz SIWHCIIUROLKFH-OAHLLOKOSA-N 1 3 354.495 0.853 20 0 FCADHO CC(C)CO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001328387270 871401992 /nfs/dbraw/zinc/40/19/92/871401992.db2.gz VRFQGMBTXHFJNM-MRXNPFEDSA-N 1 3 356.511 0.212 20 0 FCADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC001332251669 873423474 /nfs/dbraw/zinc/42/34/74/873423474.db2.gz RQPNESFCGIRRCI-SHTZXODSSA-N 1 3 368.547 0.708 20 0 FCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713106 949595628 /nfs/dbraw/zinc/59/56/28/949595628.db2.gz VYDRWWMHNCWHNE-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713106 949595646 /nfs/dbraw/zinc/59/56/46/949595646.db2.gz VYDRWWMHNCWHNE-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713106 949595663 /nfs/dbraw/zinc/59/56/63/949595663.db2.gz VYDRWWMHNCWHNE-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713106 949595679 /nfs/dbraw/zinc/59/56/79/949595679.db2.gz VYDRWWMHNCWHNE-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101262 951856590 /nfs/dbraw/zinc/85/65/90/951856590.db2.gz BICBXZVKIONZDJ-GFCCVEGCSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101262 951856597 /nfs/dbraw/zinc/85/65/97/951856597.db2.gz BICBXZVKIONZDJ-GFCCVEGCSA-N 1 3 363.441 0.799 20 0 FCADHO C[NH+](C)C1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000331643873 215028580 /nfs/dbraw/zinc/02/85/80/215028580.db2.gz PVHPMYAWSNMVGD-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000331863422 215058190 /nfs/dbraw/zinc/05/81/90/215058190.db2.gz KSKJBVBXXDXDTI-ZACQAIPSSA-N 1 3 366.506 0.033 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333639928 215304288 /nfs/dbraw/zinc/30/42/88/215304288.db2.gz UHDCRUCEWWLAAV-IBGZPJMESA-N 1 3 372.517 0.987 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)C[C@@H](C)O1 ZINC000333768813 215317973 /nfs/dbraw/zinc/31/79/73/215317973.db2.gz BRTHIMKPFAIHIW-JFIYKMOQSA-N 1 3 368.522 0.896 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182843 213092919 /nfs/dbraw/zinc/09/29/19/213092919.db2.gz RDFACZLULVNBLZ-RDTXWAMCSA-N 1 3 358.486 0.963 20 0 FCADHO COC[C@@H]1C[C@H](O)CN1Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2COC)cc1 ZINC000411913569 237103074 /nfs/dbraw/zinc/10/30/74/237103074.db2.gz ROESNYSMDAYPRL-MUGJNUQGSA-N 1 3 364.486 0.850 20 0 FCADHO COC[C@@H]1C[C@H](O)CN1Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2COC)cc1 ZINC000411913569 237103084 /nfs/dbraw/zinc/10/30/84/237103084.db2.gz ROESNYSMDAYPRL-MUGJNUQGSA-N 1 3 364.486 0.850 20 0 FCADHO NC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)Cc2ccccc2C1 ZINC000367178086 216087457 /nfs/dbraw/zinc/08/74/57/216087457.db2.gz GOMUTOHYWJMRMU-CQSZACIVSA-N 1 3 356.392 0.435 20 0 FCADHO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CNCCO1 ZINC000238018477 209362706 /nfs/dbraw/zinc/36/27/06/209362706.db2.gz BVZPSKXJUYXRDR-LJQANCHMSA-N 1 3 360.502 0.689 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000237912073 209360543 /nfs/dbraw/zinc/36/05/43/209360543.db2.gz MYPHIENRBCIMHI-QZTJIDSGSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000237178544 209349396 /nfs/dbraw/zinc/34/93/96/209349396.db2.gz LYQHSPWKIVXWLM-QGZVFWFLSA-N 1 3 358.486 0.984 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000237171208 209347258 /nfs/dbraw/zinc/34/72/58/209347258.db2.gz RZPBWFCBPKLNJQ-GOOCMWNKSA-N 1 3 362.478 0.420 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000236838530 209344175 /nfs/dbraw/zinc/34/41/75/209344175.db2.gz IHTNYLZSMHWOSA-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H](CN1CCCC1=O)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195328287 209337106 /nfs/dbraw/zinc/33/71/06/209337106.db2.gz QMIVADSPGVSWJQ-OAHLLOKOSA-N 1 3 365.522 0.855 20 0 FCADHO COC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000187492585 209212210 /nfs/dbraw/zinc/21/22/10/209212210.db2.gz KUWRERRRCKKFKT-MAUKXSAKSA-N 1 3 368.522 0.990 20 0 FCADHO C[C@H](CO)N(Cc1ccccc1C[N@H+](C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188206 /nfs/dbraw/zinc/18/82/06/212188206.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 1 3 368.518 0.814 20 0 FCADHO C[C@H](CO)N(Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188208 /nfs/dbraw/zinc/18/82/08/212188208.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 1 3 368.518 0.814 20 0 FCADHO C[C@H](CO)[N@H+](Cc1ccccc1CN(C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188211 /nfs/dbraw/zinc/18/82/11/212188211.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 1 3 368.518 0.814 20 0 FCADHO C[C@H](CO)[N@@H+](Cc1ccccc1CN(C[C@H](C)O)[C@@H](C)CO)C[C@H](C)O ZINC000276216397 212188214 /nfs/dbraw/zinc/18/82/14/212188214.db2.gz PSPSBSZLYZIIIR-MHORFTMASA-N 1 3 368.518 0.814 20 0 FCADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(Cc3cn4ccccc4n3)CC2)C1 ZINC000414684630 245311581 /nfs/dbraw/zinc/31/15/81/245311581.db2.gz WLRSKSZNUZAGCE-KRWDZBQOSA-N 1 3 370.501 0.649 20 0 FCADHO C[C@@H]1C[C@H](CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737732 245317718 /nfs/dbraw/zinc/31/77/18/245317718.db2.gz OIULVSIMLWYGER-HUUCEWRRSA-N 1 3 352.504 0.844 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415126432 245349598 /nfs/dbraw/zinc/34/95/98/245349598.db2.gz MDDXYTWTEUKQHY-AWEZNQCLSA-N 1 3 360.458 0.907 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415126432 245349605 /nfs/dbraw/zinc/34/96/05/245349605.db2.gz MDDXYTWTEUKQHY-AWEZNQCLSA-N 1 3 360.458 0.907 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000414914369 245335161 /nfs/dbraw/zinc/33/51/61/245335161.db2.gz KOHYWJBCEKLUFU-QGZVFWFLSA-N 1 3 350.488 0.898 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415329679 245386319 /nfs/dbraw/zinc/38/63/19/245386319.db2.gz JOPBZDYFZQFPJJ-HNNXBMFYSA-N 1 3 359.474 0.554 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931567874 674120263 /nfs/dbraw/zinc/12/02/63/674120263.db2.gz ZGLCASSHLCUCRD-HUUCEWRRSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931567874 674120264 /nfs/dbraw/zinc/12/02/64/674120264.db2.gz ZGLCASSHLCUCRD-HUUCEWRRSA-N 1 3 350.467 0.508 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076054 209157584 /nfs/dbraw/zinc/15/75/84/209157584.db2.gz LIMCNEXFEXBUOA-WMZOPIPTSA-N 1 3 352.523 0.772 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076054 209157586 /nfs/dbraw/zinc/15/75/86/209157586.db2.gz LIMCNEXFEXBUOA-WMZOPIPTSA-N 1 3 352.523 0.772 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374075966 217092741 /nfs/dbraw/zinc/09/27/41/217092741.db2.gz YMLDAMIQBHHCTF-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1=O ZINC000374398670 217124893 /nfs/dbraw/zinc/12/48/93/217124893.db2.gz KNMVFWMISZBUJO-WCXIOVBPSA-N 1 3 366.506 0.107 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419151140 246019994 /nfs/dbraw/zinc/01/99/94/246019994.db2.gz NDHSEYHILGBUGC-KBPBESRZSA-N 1 3 350.488 0.636 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCCNCC1 ZINC000419155490 246021905 /nfs/dbraw/zinc/02/19/05/246021905.db2.gz UALQQYGUNKTKMC-OAHLLOKOSA-N 1 3 364.515 0.898 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CCCNCC1 ZINC000419155490 246021909 /nfs/dbraw/zinc/02/19/09/246021909.db2.gz UALQQYGUNKTKMC-OAHLLOKOSA-N 1 3 364.515 0.898 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CCCNCC1 ZINC000419155488 246022253 /nfs/dbraw/zinc/02/22/53/246022253.db2.gz UALQQYGUNKTKMC-HNNXBMFYSA-N 1 3 364.515 0.898 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CCCNCC1 ZINC000419155488 246022258 /nfs/dbraw/zinc/02/22/58/246022258.db2.gz UALQQYGUNKTKMC-HNNXBMFYSA-N 1 3 364.515 0.898 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419158029 246024150 /nfs/dbraw/zinc/02/41/50/246024150.db2.gz XEKWCAYUWWMDMY-KGLIPLIRSA-N 1 3 352.504 0.882 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132502 246006794 /nfs/dbraw/zinc/00/67/94/246006794.db2.gz BOGXWHZZSLRYMF-RDJZCZTQSA-N 1 3 362.474 0.247 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419144336 246013913 /nfs/dbraw/zinc/01/39/13/246013913.db2.gz GRXIIPUANJIJBN-HUUCEWRRSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419145778 246015006 /nfs/dbraw/zinc/01/50/06/246015006.db2.gz HUBPJDUSHHHXOM-CABCVRRESA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)CC[C@@H]1[NH3+] ZINC000419148154 246018347 /nfs/dbraw/zinc/01/83/47/246018347.db2.gz JUOQZXLVSCQQLY-HOCLYGCPSA-N 1 3 362.474 0.439 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419166133 246028245 /nfs/dbraw/zinc/02/82/45/246028245.db2.gz ONPAHIFOOLZWJD-ROUUACIJSA-N 1 3 374.485 0.247 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168997 246030619 /nfs/dbraw/zinc/03/06/19/246030619.db2.gz TXYUXXUKYUBUKA-QZTJIDSGSA-N 1 3 374.485 0.262 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419182515 246039121 /nfs/dbraw/zinc/03/91/21/246039121.db2.gz CGXVACVHEAIGMK-GOSISDBHSA-N 1 3 374.485 0.262 20 0 FCADHO O=C(NC1CCN(CCc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419183575 246042091 /nfs/dbraw/zinc/04/20/91/246042091.db2.gz DPWPECQQXVEDGA-HDICACEKSA-N 1 3 370.497 0.488 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419223445 246061525 /nfs/dbraw/zinc/06/15/25/246061525.db2.gz CYOBNQLIYGSBQM-KBAYOESNSA-N 1 3 374.485 0.199 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000419227839 246066409 /nfs/dbraw/zinc/06/64/09/246066409.db2.gz LJNWLKGWHZBZKU-BRWVUGGUSA-N 1 3 366.506 0.332 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419229095 246066514 /nfs/dbraw/zinc/06/65/14/246066514.db2.gz NNWHFQZIXBZGQO-KBAYOESNSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419229095 246066522 /nfs/dbraw/zinc/06/65/22/246066522.db2.gz NNWHFQZIXBZGQO-KBAYOESNSA-N 1 3 374.485 0.118 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419229635 246066872 /nfs/dbraw/zinc/06/68/72/246066872.db2.gz PBMDQZBLCDRWJR-NVXWUHKLSA-N 1 3 350.507 0.873 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000419197594 246048760 /nfs/dbraw/zinc/04/87/60/246048760.db2.gz XVZBGEZXVWJNED-SFHVURJKSA-N 1 3 358.486 0.663 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419235294 246070795 /nfs/dbraw/zinc/07/07/95/246070795.db2.gz YTBGYZWSCZNOPZ-XMTFNYHQSA-N 1 3 362.518 0.871 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419362194 246117685 /nfs/dbraw/zinc/11/76/85/246117685.db2.gz BINSPXLUJYSNDI-UHFFFAOYSA-N 1 3 372.513 0.708 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)Cc2ccccc2C1 ZINC000419379347 246124467 /nfs/dbraw/zinc/12/44/67/246124467.db2.gz WHTOTMKKDOFRDW-SJORKVTESA-N 1 3 356.470 0.022 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419375808 246125830 /nfs/dbraw/zinc/12/58/30/246125830.db2.gz RGDORGRZXOPRRN-WMLDXEAASA-N 1 3 358.486 0.398 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419378511 246125910 /nfs/dbraw/zinc/12/59/10/246125910.db2.gz VSBVGKUGEXSNIJ-IAGOWNOFSA-N 1 3 352.523 0.975 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419410505 246145101 /nfs/dbraw/zinc/14/51/01/246145101.db2.gz OOQLQCAGODXIAW-KRWDZBQOSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419421530 246154580 /nfs/dbraw/zinc/15/45/80/246154580.db2.gz LMJWVCVGUHLFSY-CVEARBPZSA-N 1 3 358.486 0.747 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419425341 246155974 /nfs/dbraw/zinc/15/59/74/246155974.db2.gz PJEAEAHTFBXBQB-CRAIPNDOSA-N 1 3 358.486 0.747 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419474878 246177292 /nfs/dbraw/zinc/17/72/92/246177292.db2.gz CTMQCAYDUZQQAC-HRCADAONSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419474878 246177297 /nfs/dbraw/zinc/17/72/97/246177297.db2.gz CTMQCAYDUZQQAC-HRCADAONSA-N 1 3 368.522 0.986 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580017 246209092 /nfs/dbraw/zinc/20/90/92/246209092.db2.gz HWNQVGFWIRQLJR-WMLDXEAASA-N 1 3 356.536 0.564 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587858 246212104 /nfs/dbraw/zinc/21/21/04/246212104.db2.gz QHNLJIWZMYRMHN-GOSISDBHSA-N 1 3 364.515 0.527 20 0 FCADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000419656892 246233052 /nfs/dbraw/zinc/23/30/52/246233052.db2.gz VHQREIMDFJEFEA-GOEBONIOSA-N 1 3 362.474 0.337 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419662638 246234683 /nfs/dbraw/zinc/23/46/83/246234683.db2.gz HZMNGHHXDJDCRA-QGZVFWFLSA-N 1 3 359.474 0.625 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624758 246223162 /nfs/dbraw/zinc/22/31/62/246223162.db2.gz AKJQNELCPVQNJR-CZUORRHYSA-N 1 3 362.474 0.594 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419720530 246269422 /nfs/dbraw/zinc/26/94/22/246269422.db2.gz ICPPYLQCHIJRSP-OAQYLSRUSA-N 1 3 370.497 0.979 20 0 FCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419681630 246246397 /nfs/dbraw/zinc/24/63/97/246246397.db2.gz IQTDYCZMKCNXED-HNNXBMFYSA-N 1 3 354.495 0.381 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)[C@@H](C[NH3+])C1 ZINC000419695280 246253969 /nfs/dbraw/zinc/25/39/69/246253969.db2.gz KSWZHHWWEIMNET-BRWVUGGUSA-N 1 3 368.522 0.578 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419720068 246270473 /nfs/dbraw/zinc/27/04/73/246270473.db2.gz DMJIAAFVWZALDW-HOTGVXAUSA-N 1 3 354.495 0.189 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000419759536 246286336 /nfs/dbraw/zinc/28/63/36/246286336.db2.gz XTMYOSQSRQKIAI-AWEZNQCLSA-N 1 3 354.495 0.202 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000419763967 246288317 /nfs/dbraw/zinc/28/83/17/246288317.db2.gz OUHJDZPUTUFDIY-FUHWJXTLSA-N 1 3 358.486 0.820 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778323 246293463 /nfs/dbraw/zinc/29/34/63/246293463.db2.gz OQKWYAJTTJJKOL-SWLSCSKDSA-N 1 3 352.479 0.206 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000419740779 246278225 /nfs/dbraw/zinc/27/82/25/246278225.db2.gz YDHLUUHUZZHUTH-QEJZJMRPSA-N 1 3 352.479 0.349 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419830415 246310107 /nfs/dbraw/zinc/31/01/07/246310107.db2.gz WASCJWSBPHGJHV-MRXNPFEDSA-N 1 3 366.506 0.396 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)o1 ZINC000419854012 246323533 /nfs/dbraw/zinc/32/35/33/246323533.db2.gz FSBFVUHLHDSYKF-HNNXBMFYSA-N 1 3 350.463 0.594 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419854626 246324658 /nfs/dbraw/zinc/32/46/58/246324658.db2.gz VMWLPFHKBMBWAI-UHFFFAOYSA-N 1 3 356.417 0.581 20 0 FCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419933556 246375176 /nfs/dbraw/zinc/37/51/76/246375176.db2.gz FGHQZJNINMGVIO-DLBZAZTESA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419876852 246343508 /nfs/dbraw/zinc/34/35/08/246343508.db2.gz FJVSBPVYRDUSAN-HNNXBMFYSA-N 1 3 364.465 0.832 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1)C1CC1 ZINC000419878285 246346070 /nfs/dbraw/zinc/34/60/70/246346070.db2.gz YTXORBYJCYWYTG-QGZVFWFLSA-N 1 3 350.507 0.955 20 0 FCADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419882988 246347395 /nfs/dbraw/zinc/34/73/95/246347395.db2.gz CXEGUTUQTATEIR-AEFFLSMTSA-N 1 3 373.501 0.763 20 0 FCADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419882991 246348824 /nfs/dbraw/zinc/34/88/24/246348824.db2.gz CXEGUTUQTATEIR-SJLPKXTDSA-N 1 3 373.501 0.763 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419884248 246349463 /nfs/dbraw/zinc/34/94/63/246349463.db2.gz FUFCAELUPWBQJY-BFYDXBDKSA-N 1 3 366.506 0.202 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419888835 246352711 /nfs/dbraw/zinc/35/27/11/246352711.db2.gz GDOCYAGXRNFXJS-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000419905364 246361147 /nfs/dbraw/zinc/36/11/47/246361147.db2.gz WFKDXPBPNANWHE-CABCVRRESA-N 1 3 350.463 0.674 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000419960420 246387359 /nfs/dbraw/zinc/38/73/59/246387359.db2.gz RRIURYLHKFKWSG-INMHGKMJSA-N 1 3 350.507 0.951 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000419960420 246387367 /nfs/dbraw/zinc/38/73/67/246387367.db2.gz RRIURYLHKFKWSG-INMHGKMJSA-N 1 3 350.507 0.951 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419962989 246391789 /nfs/dbraw/zinc/39/17/89/246391789.db2.gz VTHJYJQWCGJYSZ-HRCADAONSA-N 1 3 368.522 0.435 20 0 FCADHO NC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967324 246392803 /nfs/dbraw/zinc/39/28/03/246392803.db2.gz NSJVQIIFFNYWCU-RDJZCZTQSA-N 1 3 350.507 0.955 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419965846 246393657 /nfs/dbraw/zinc/39/36/57/246393657.db2.gz KKJHVFIHGNKIPO-QGZVFWFLSA-N 1 3 367.538 0.106 20 0 FCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419973773 246396419 /nfs/dbraw/zinc/39/64/19/246396419.db2.gz ILGVNPQYFMGJLG-DLBZAZTESA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423362445 247012048 /nfs/dbraw/zinc/01/20/48/247012048.db2.gz HTEVFACHOGQNNH-LSDHHAIUSA-N 1 3 350.463 0.756 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423394921 247019486 /nfs/dbraw/zinc/01/94/86/247019486.db2.gz SLJFMUDBEYHTBE-XLIONFOSSA-N 1 3 356.470 0.880 20 0 FCADHO [NH3+]CCCn1cc(C(=O)NCC2(N3CCSCC3)CCCC2)nn1 ZINC000423326195 247004635 /nfs/dbraw/zinc/00/46/35/247004635.db2.gz MJDLIOHORYFLSI-UHFFFAOYSA-N 1 3 352.508 0.718 20 0 FCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423602154 247070340 /nfs/dbraw/zinc/07/03/40/247070340.db2.gz FHGUKKVJKGPWAI-INIZCTEOSA-N 1 3 366.506 0.430 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000423470745 247033091 /nfs/dbraw/zinc/03/30/91/247033091.db2.gz DMHPZQIAPASJQT-UHFFFAOYSA-N 1 3 350.463 0.263 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[C@H]1[NH3+] ZINC000423608148 247072606 /nfs/dbraw/zinc/07/26/06/247072606.db2.gz KGBLJXXDGIWMLK-DZGCQCFKSA-N 1 3 352.504 0.834 20 0 FCADHO CN(CCN(C)C1CCCCC1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000423758132 247138791 /nfs/dbraw/zinc/13/87/91/247138791.db2.gz JKFLCABDGUHTNM-UHFFFAOYSA-N 1 3 359.536 0.876 20 0 FCADHO O=C(NCC1(N2CCCC2)CCOCC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424155227 247173672 /nfs/dbraw/zinc/17/36/72/247173672.db2.gz MOEQBNVXMAMDDI-HNNXBMFYSA-N 1 3 362.478 0.577 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424218258 247177780 /nfs/dbraw/zinc/17/77/80/247177780.db2.gz RUYCWEAZDKMWAX-OKZBNKHCSA-N 1 3 356.470 0.588 20 0 FCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492023 247237494 /nfs/dbraw/zinc/23/74/94/247237494.db2.gz GQAHWRFFAZINCN-RCCFBDPRSA-N 1 3 356.470 0.669 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492251 247237518 /nfs/dbraw/zinc/23/75/18/247237518.db2.gz HFXSNYZARYDLTI-DSLXNQLJSA-N 1 3 370.497 0.915 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000424549641 247259837 /nfs/dbraw/zinc/25/98/37/247259837.db2.gz RXHZNMLZLFPIAI-DLBZAZTESA-N 1 3 356.470 0.717 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@@H]1C ZINC000425396795 247334529 /nfs/dbraw/zinc/33/45/29/247334529.db2.gz ZHYSHNSHOQTOBG-MWDXBVQZSA-N 1 3 350.507 0.870 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@@H]1C ZINC000425396795 247334532 /nfs/dbraw/zinc/33/45/32/247334532.db2.gz ZHYSHNSHOQTOBG-MWDXBVQZSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCC(NC(=O)CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253164 248245801 /nfs/dbraw/zinc/24/58/01/248245801.db2.gz AKXJDFIVTYXRNM-RCCFBDPRSA-N 1 3 352.523 0.770 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000443650877 248335216 /nfs/dbraw/zinc/33/52/16/248335216.db2.gz INFBPVWDLKJABQ-ZACQAIPSSA-N 1 3 368.522 0.402 20 0 FCADHO CCOC(=O)COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000469990911 250019269 /nfs/dbraw/zinc/01/92/69/250019269.db2.gz KTZSLOOBHSFCFZ-INIZCTEOSA-N 1 3 363.458 0.915 20 0 FCADHO CN(C)C(=O)COc1ccccc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470019449 250021012 /nfs/dbraw/zinc/02/10/12/250021012.db2.gz UAYBBMNUZVAXSA-INIZCTEOSA-N 1 3 362.474 0.441 20 0 FCADHO C[NH+](C)CCOCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000471662259 250113494 /nfs/dbraw/zinc/11/34/94/250113494.db2.gz BLKWEJFMPOMMKV-LJQANCHMSA-N 1 3 364.490 0.501 20 0 FCADHO CN1CCN(CC2(C)CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471653664 250114564 /nfs/dbraw/zinc/11/45/64/250114564.db2.gz KTUHJKSBGWHDRG-UHFFFAOYSA-N 1 3 369.554 0.624 20 0 FCADHO CN1CC[NH+](CCC(C)(C)NC(=O)NCCN2CCSCC2)CC1 ZINC000473922947 250257874 /nfs/dbraw/zinc/25/78/74/250257874.db2.gz XSUGBLSQIILGJN-UHFFFAOYSA-N 1 3 357.568 0.751 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000105211080 208193452 /nfs/dbraw/zinc/19/34/52/208193452.db2.gz SBXBSUURLOFDAG-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO CC(C)[C@H]1C(=O)NCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114949607 208319130 /nfs/dbraw/zinc/31/91/30/208319130.db2.gz FFGROUJFENWWRY-KRWDZBQOSA-N 1 3 365.522 0.711 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000119220181 208357177 /nfs/dbraw/zinc/35/71/77/208357177.db2.gz AMLCNHZNBVJYNY-KURKYZTESA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000119220181 208357183 /nfs/dbraw/zinc/35/71/83/208357183.db2.gz AMLCNHZNBVJYNY-KURKYZTESA-N 1 3 351.539 0.996 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000410714840 230208012 /nfs/dbraw/zinc/20/80/12/230208012.db2.gz CHCMRWSBOXODJT-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410874810 230287197 /nfs/dbraw/zinc/28/71/97/230287197.db2.gz ULLOJDFZBHWNHR-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO CCN1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041719253 487838811 /nfs/dbraw/zinc/83/88/11/487838811.db2.gz ZZJLGQJMBFMVTF-UHFFFAOYSA-N 1 3 361.490 0.440 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058201 488387439 /nfs/dbraw/zinc/38/74/39/488387439.db2.gz UTCMSSVFDBMSOO-IRXDYDNUSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000185124457 488399324 /nfs/dbraw/zinc/39/93/24/488399324.db2.gz YTOZZPUCPIATBN-QGZVFWFLSA-N 1 3 368.570 0.338 20 0 FCADHO C[C@H]1C(=O)N(C)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186556664 488407196 /nfs/dbraw/zinc/40/71/96/488407196.db2.gz HNHZWYPHZQMDFG-AWEZNQCLSA-N 1 3 351.495 0.417 20 0 FCADHO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCN3CCCC3)c2)CC1 ZINC000187168736 488409002 /nfs/dbraw/zinc/40/90/02/488409002.db2.gz LPRKTPJLGSOGPI-UHFFFAOYSA-N 1 3 373.501 0.979 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCCCC2 ZINC000077755327 488417257 /nfs/dbraw/zinc/41/72/57/488417257.db2.gz ZAWWYZILSDNOJN-UHFFFAOYSA-N 1 3 351.499 0.639 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000077801163 488418444 /nfs/dbraw/zinc/41/84/44/488418444.db2.gz RCMKRMKQFSTLDQ-CYBMUJFWSA-N 1 3 353.433 0.758 20 0 FCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000077836424 488418853 /nfs/dbraw/zinc/41/88/53/488418853.db2.gz QYCPFKCYYQWCRW-HZPDHXFCSA-N 1 3 355.527 0.911 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000192646941 488423576 /nfs/dbraw/zinc/42/35/76/488423576.db2.gz WSODLBXCWVKWEY-HNNXBMFYSA-N 1 3 357.524 0.634 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC(=O)NC3CC3)CC2)CC1 ZINC000195343387 488437096 /nfs/dbraw/zinc/43/70/96/488437096.db2.gz CGXCNIYRBLTBEC-UHFFFAOYSA-N 1 3 365.522 0.903 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000246342033 488471606 /nfs/dbraw/zinc/47/16/06/488471606.db2.gz OVWUNKLGBUVSPI-ZWKOTPCHSA-N 1 3 369.554 0.526 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269239747 488481098 /nfs/dbraw/zinc/48/10/98/488481098.db2.gz AQMKRBPQMKEUSQ-IBGZPJMESA-N 1 3 360.502 0.819 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C2CC2)CC1=O ZINC000248564034 488498166 /nfs/dbraw/zinc/49/81/66/488498166.db2.gz HPYYWJRTATUWAQ-RDJZCZTQSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C2CC2)CC1=O ZINC000248564034 488498167 /nfs/dbraw/zinc/49/81/67/488498167.db2.gz HPYYWJRTATUWAQ-RDJZCZTQSA-N 1 3 350.507 0.872 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1c1ccccc1F ZINC000562958071 491203011 /nfs/dbraw/zinc/20/30/11/491203011.db2.gz ICHSQANJXCFIQQ-QILLFSRXSA-N 1 3 374.460 0.776 20 0 FCADHO CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105318919 488509092 /nfs/dbraw/zinc/50/90/92/488509092.db2.gz XNUOQZLWPSTBML-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105318919 488509094 /nfs/dbraw/zinc/50/90/94/488509094.db2.gz XNUOQZLWPSTBML-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000249380856 488509443 /nfs/dbraw/zinc/50/94/43/488509443.db2.gz QJSPJHXWGNIWKB-HOCLYGCPSA-N 1 3 352.479 0.311 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261669559 488530044 /nfs/dbraw/zinc/53/00/44/488530044.db2.gz GGOUYXCNVOGOMX-IBGZPJMESA-N 1 3 360.502 0.804 20 0 FCADHO CC(C)N1CCC[C@H](N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261843561 488538041 /nfs/dbraw/zinc/53/80/41/488538041.db2.gz LSXATZGWJMAZKO-ULQDDVLXSA-N 1 3 350.507 0.966 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000262097181 488549870 /nfs/dbraw/zinc/54/98/70/488549870.db2.gz LWCPIDYKQRXVAT-INIZCTEOSA-N 1 3 350.467 0.578 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000119559594 488557849 /nfs/dbraw/zinc/55/78/49/488557849.db2.gz HELKDKOZLOFVGP-HOTGVXAUSA-N 1 3 370.563 0.921 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000119559594 488557850 /nfs/dbraw/zinc/55/78/50/488557850.db2.gz HELKDKOZLOFVGP-HOTGVXAUSA-N 1 3 370.563 0.921 20 0 FCADHO C[C@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)C1C[NH2+]C1 ZINC000262458712 488571098 /nfs/dbraw/zinc/57/10/98/488571098.db2.gz WVOYLUCGOBOTPJ-HNNXBMFYSA-N 1 3 358.486 0.984 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000554520952 491207394 /nfs/dbraw/zinc/20/73/94/491207394.db2.gz NTXGVPZKTLCEHI-UHFFFAOYSA-N 1 3 373.501 0.778 20 0 FCADHO CN(C)CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccn1 ZINC000272656112 488595644 /nfs/dbraw/zinc/59/56/44/488595644.db2.gz GTOIHZWEOHEDKG-QGZVFWFLSA-N 1 3 364.490 0.989 20 0 FCADHO CN(C)CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccn1 ZINC000272656112 488595647 /nfs/dbraw/zinc/59/56/47/488595647.db2.gz GTOIHZWEOHEDKG-QGZVFWFLSA-N 1 3 364.490 0.989 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079004 488628941 /nfs/dbraw/zinc/62/89/41/488628941.db2.gz SZEFVBBCHUDLOY-SJORKVTESA-N 1 3 367.538 0.301 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000130526897 488637816 /nfs/dbraw/zinc/63/78/16/488637816.db2.gz CHKPAQDZUKQEKZ-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO CCOc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000130521107 488638177 /nfs/dbraw/zinc/63/81/77/488638177.db2.gz GKDRURPRIUZMJS-UHFFFAOYSA-N 1 3 350.463 0.976 20 0 FCADHO CCOc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130620820 488639356 /nfs/dbraw/zinc/63/93/56/488639356.db2.gz DZVWUYHCHYPVJD-UHFFFAOYSA-N 1 3 350.463 0.976 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000131514132 488646680 /nfs/dbraw/zinc/64/66/80/488646680.db2.gz XBBPGLGSDRJAIT-UHFFFAOYSA-N 1 3 360.480 0.095 20 0 FCADHO CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC000138441364 488682302 /nfs/dbraw/zinc/68/23/02/488682302.db2.gz YIEIYUVPHNQHPX-MRXNPFEDSA-N 1 3 351.495 0.419 20 0 FCADHO CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC000138441364 488682304 /nfs/dbraw/zinc/68/23/04/488682304.db2.gz YIEIYUVPHNQHPX-MRXNPFEDSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[N@H+](C)C1CC1 ZINC000138950036 488683440 /nfs/dbraw/zinc/68/34/40/488683440.db2.gz OAIRQSULTFEVIA-ZBFHGGJFSA-N 1 3 351.495 0.417 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[N@@H+](C)C1CC1 ZINC000138950036 488683441 /nfs/dbraw/zinc/68/34/41/488683441.db2.gz OAIRQSULTFEVIA-ZBFHGGJFSA-N 1 3 351.495 0.417 20 0 FCADHO CN(C)C1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)Cc2ccccc2C1 ZINC000563082954 491214475 /nfs/dbraw/zinc/21/44/75/491214475.db2.gz XDSHUVIUAGRWFU-KRWDZBQOSA-N 1 3 368.485 0.859 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000154657897 488745999 /nfs/dbraw/zinc/74/59/99/488745999.db2.gz IZWNQDJAJDEOHQ-UONOGXRCSA-N 1 3 350.467 0.372 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000154657797 488746014 /nfs/dbraw/zinc/74/60/14/488746014.db2.gz IZWNQDJAJDEOHQ-ZIAGYGMSSA-N 1 3 350.467 0.372 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199381 491224432 /nfs/dbraw/zinc/22/44/32/491224432.db2.gz NNNFHCXLODTVSA-ZBFHGGJFSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199381 491224435 /nfs/dbraw/zinc/22/44/35/491224435.db2.gz NNNFHCXLODTVSA-ZBFHGGJFSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000176347535 488858155 /nfs/dbraw/zinc/85/81/55/488858155.db2.gz VSPZVPDXGZIJMY-UHFFFAOYSA-N 1 3 370.538 0.879 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCN(C)C(C)C)CC1 ZINC000180047779 488861743 /nfs/dbraw/zinc/86/17/43/488861743.db2.gz TUNPBMVXJREMIX-UHFFFAOYSA-N 1 3 364.494 0.935 20 0 FCADHO C[C@H](CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[NH+]1CCCCC1 ZINC000182138785 488864185 /nfs/dbraw/zinc/86/41/85/488864185.db2.gz ZMZKUGKOKSQGSX-OAHLLOKOSA-N 1 3 364.494 0.764 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCCN3CCOCC3)C2)CC1 ZINC000365257921 489054731 /nfs/dbraw/zinc/05/47/31/489054731.db2.gz KPRLATAKRKZZQM-MRXNPFEDSA-N 1 3 353.511 0.176 20 0 FCADHO COC[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312017 489066404 /nfs/dbraw/zinc/06/64/04/489066404.db2.gz ZEMLLRYZVDLHRT-HOCLYGCPSA-N 1 3 373.519 0.575 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC1CCN(C)CC1)CC[NH2+]CC2 ZINC000570323528 491234112 /nfs/dbraw/zinc/23/41/12/491234112.db2.gz VJWMQIVDHGPTIL-OAHLLOKOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1N(C)C ZINC000331381242 489204279 /nfs/dbraw/zinc/20/42/79/489204279.db2.gz FNPUZAHQJSCVGP-WMLDXEAASA-N 1 3 350.507 0.918 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000331447066 489212546 /nfs/dbraw/zinc/21/25/46/489212546.db2.gz CFFKYZGJSJIRIR-JONQDZQNSA-N 1 3 350.507 0.727 20 0 FCADHO O=C(NC[C@]1(O)CN2CCC1CC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000563397173 491241852 /nfs/dbraw/zinc/24/18/52/491241852.db2.gz QRNUPOGLHPHPTA-WMZOPIPTSA-N 1 3 353.532 0.777 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000332970250 489252221 /nfs/dbraw/zinc/25/22/21/489252221.db2.gz XACZTDVMKHLCQX-OWCLPIDISA-N 1 3 351.495 0.417 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000332970250 489252222 /nfs/dbraw/zinc/25/22/22/489252222.db2.gz XACZTDVMKHLCQX-OWCLPIDISA-N 1 3 351.495 0.417 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCSC1 ZINC000333445638 489261261 /nfs/dbraw/zinc/26/12/61/489261261.db2.gz WTRCLPLOUITIDC-VYDXJSESSA-N 1 3 356.536 0.962 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](CO)OC(C)(C)C3)CC2)CC1 ZINC000333746695 489263371 /nfs/dbraw/zinc/26/33/71/489263371.db2.gz NCKHAWKUDCZDHQ-KRWDZBQOSA-N 1 3 368.522 0.726 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000369698993 489266552 /nfs/dbraw/zinc/26/65/52/489266552.db2.gz ZKDNEYQTRRRIPI-OAHLLOKOSA-N 1 3 364.494 1.162 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738428 489269522 /nfs/dbraw/zinc/26/95/22/489269522.db2.gz XVWYCBDPMJJMLO-NXHRZFHOSA-N 1 3 366.506 0.744 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738428 489269523 /nfs/dbraw/zinc/26/95/23/489269523.db2.gz XVWYCBDPMJJMLO-NXHRZFHOSA-N 1 3 366.506 0.744 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000563459823 491249514 /nfs/dbraw/zinc/24/95/14/491249514.db2.gz ZHKHEPSEJJQXJM-ZWKOTPCHSA-N 1 3 358.486 0.615 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN2CCCC2)CCCO1 ZINC000563471579 491250065 /nfs/dbraw/zinc/25/00/65/491250065.db2.gz FTTWLVOOJSOYTJ-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN2CCCC2)CCCO1 ZINC000563471579 491250066 /nfs/dbraw/zinc/25/00/66/491250066.db2.gz FTTWLVOOJSOYTJ-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO CCN1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000371558160 489488421 /nfs/dbraw/zinc/48/84/21/489488421.db2.gz PIELFGUUAUCHCW-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000371558160 489488422 /nfs/dbraw/zinc/48/84/22/489488422.db2.gz PIELFGUUAUCHCW-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423162691 489498127 /nfs/dbraw/zinc/49/81/27/489498127.db2.gz LPPXPGZJJHNOFT-UHFFFAOYSA-N 1 3 350.438 0.666 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC(C[NH3+])CC2)o1 ZINC000423163253 489498388 /nfs/dbraw/zinc/49/83/88/489498388.db2.gz MHWXDCQUHPSMMP-UHFFFAOYSA-N 1 3 350.463 0.676 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423162992 489498425 /nfs/dbraw/zinc/49/84/25/489498425.db2.gz LZXRPDOBPXPPDD-SJORKVTESA-N 1 3 359.474 0.454 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC000423173145 489499404 /nfs/dbraw/zinc/49/94/04/489499404.db2.gz XDUWKMPZOBETGG-CVEARBPZSA-N 1 3 362.474 0.546 20 0 FCADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCCCN1CC[NH2+]CC1 ZINC000423189179 489500845 /nfs/dbraw/zinc/50/08/45/489500845.db2.gz QLNVNSJPPDSEIR-HNNXBMFYSA-N 1 3 354.520 0.897 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423199120 489501644 /nfs/dbraw/zinc/50/16/44/489501644.db2.gz JCLRPZBEHVDTID-GOSISDBHSA-N 1 3 374.485 0.296 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000423200209 489501857 /nfs/dbraw/zinc/50/18/57/489501857.db2.gz DWHJPVQVDGFFHA-UHFFFAOYSA-N 1 3 370.444 0.923 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000423201276 489501882 /nfs/dbraw/zinc/50/18/82/489501882.db2.gz OICUIPRIAWNGEQ-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423204232 489502023 /nfs/dbraw/zinc/50/20/23/489502023.db2.gz DFDUXOBYHBDHQP-MWDXBVQZSA-N 1 3 366.506 0.141 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423199400 489502324 /nfs/dbraw/zinc/50/23/24/489502324.db2.gz BHSVJJWPTFNNPO-HNNXBMFYSA-N 1 3 368.428 0.805 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555614085 491259586 /nfs/dbraw/zinc/25/95/86/491259586.db2.gz ILXCICYIRZXSGD-UHFFFAOYSA-N 1 3 356.511 0.496 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000415379712 489516412 /nfs/dbraw/zinc/51/64/12/489516412.db2.gz OKTZYHUXOXEYHB-GOSISDBHSA-N 1 3 373.501 0.631 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000415388655 489516860 /nfs/dbraw/zinc/51/68/60/489516860.db2.gz YNPGQNNEILSHAU-MRXNPFEDSA-N 1 3 373.501 0.944 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415419010 489519261 /nfs/dbraw/zinc/51/92/61/489519261.db2.gz PPOUMAGPSCBRLS-OAHLLOKOSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000415540003 489527953 /nfs/dbraw/zinc/52/79/53/489527953.db2.gz NIVCGWYKRLWHTK-SFHVURJKSA-N 1 3 373.501 0.616 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843532 489533389 /nfs/dbraw/zinc/53/33/89/489533389.db2.gz JIFUIQVVDHRCDS-LSDHHAIUSA-N 1 3 367.494 0.191 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843532 489533390 /nfs/dbraw/zinc/53/33/90/489533390.db2.gz JIFUIQVVDHRCDS-LSDHHAIUSA-N 1 3 367.494 0.191 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843530 489533444 /nfs/dbraw/zinc/53/34/44/489533444.db2.gz JIFUIQVVDHRCDS-HUUCEWRRSA-N 1 3 367.494 0.191 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425843530 489533447 /nfs/dbraw/zinc/53/34/47/489533447.db2.gz JIFUIQVVDHRCDS-HUUCEWRRSA-N 1 3 367.494 0.191 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000415667801 489540261 /nfs/dbraw/zinc/54/02/61/489540261.db2.gz YOALIMIKNXMEOD-OAHLLOKOSA-N 1 3 361.490 0.881 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000415670565 489540771 /nfs/dbraw/zinc/54/07/71/489540771.db2.gz HSMFHJAUUNACFM-GASCZTMLSA-N 1 3 360.458 0.552 20 0 FCADHO CN(C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1C[NH2+]C1 ZINC000415747598 489549489 /nfs/dbraw/zinc/54/94/89/489549489.db2.gz VJPHPMIUBGHUET-UHFFFAOYSA-N 1 3 362.499 0.647 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415957018 489565915 /nfs/dbraw/zinc/56/59/15/489565915.db2.gz SQZBYPQQFLVHJB-UHFFFAOYSA-N 1 3 365.482 0.366 20 0 FCADHO CCN1CCO[C@@H](C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000372365140 489576002 /nfs/dbraw/zinc/57/60/02/489576002.db2.gz INLHFKZGKMUAIL-GOSISDBHSA-N 1 3 352.523 0.724 20 0 FCADHO CCN1CCO[C@@H](C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000372365140 489576005 /nfs/dbraw/zinc/57/60/05/489576005.db2.gz INLHFKZGKMUAIL-GOSISDBHSA-N 1 3 352.523 0.724 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N(C)C1CC1 ZINC000427087315 489593635 /nfs/dbraw/zinc/59/36/35/489593635.db2.gz NRMZKFMSMXVHSS-CYBMUJFWSA-N 1 3 362.478 0.687 20 0 FCADHO C[N@H+](CCCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000455613555 489596755 /nfs/dbraw/zinc/59/67/55/489596755.db2.gz NOQJFADJMPBAHJ-UHFFFAOYSA-N 1 3 365.522 0.810 20 0 FCADHO C[N@@H+](CCCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000455613555 489596758 /nfs/dbraw/zinc/59/67/58/489596758.db2.gz NOQJFADJMPBAHJ-UHFFFAOYSA-N 1 3 365.522 0.810 20 0 FCADHO CN1CCN(CCCNC(=O)N(CC[NH3+])CCO)[C@@H](c2ccccc2)C1 ZINC000417017300 489638435 /nfs/dbraw/zinc/63/84/35/489638435.db2.gz JAYUDZQULMIXTF-GOSISDBHSA-N 1 3 363.506 0.328 20 0 FCADHO CN1CCN(CCCNC(=O)N(CC[NH3+])CCO)[C@H](c2ccccc2)C1 ZINC000417017301 489638615 /nfs/dbraw/zinc/63/86/15/489638615.db2.gz JAYUDZQULMIXTF-SFHVURJKSA-N 1 3 363.506 0.328 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000417430841 489652443 /nfs/dbraw/zinc/65/24/43/489652443.db2.gz QDNMNCCYFPATPD-OWCLPIDISA-N 1 3 353.511 0.698 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000417460620 489655089 /nfs/dbraw/zinc/65/50/89/489655089.db2.gz RCFIQQXOQUBHPJ-INIZCTEOSA-N 1 3 350.463 0.886 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417750249 489663869 /nfs/dbraw/zinc/66/38/69/489663869.db2.gz KKZPVIIRNDNPOJ-WMZOPIPTSA-N 1 3 355.527 0.328 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417864014 489669062 /nfs/dbraw/zinc/66/90/62/489669062.db2.gz AWQRFEUMTISDOG-KBMXLJTQSA-N 1 3 351.495 0.498 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000373110425 489669696 /nfs/dbraw/zinc/66/96/96/489669696.db2.gz NXHYXSSWOYQGMZ-SFHVURJKSA-N 1 3 369.554 0.765 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000373110425 489669698 /nfs/dbraw/zinc/66/96/98/489669698.db2.gz NXHYXSSWOYQGMZ-SFHVURJKSA-N 1 3 369.554 0.765 20 0 FCADHO O=C(NC[C@@H]1CCCN1CCCO)NCC1([NH+]2CCCC2)CCOCC1 ZINC000458326750 489677244 /nfs/dbraw/zinc/67/72/44/489677244.db2.gz BGPBFZKPGHFPBW-KRWDZBQOSA-N 1 3 368.522 0.777 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000418067976 489677245 /nfs/dbraw/zinc/67/72/45/489677245.db2.gz CONHRLGJFIOEHY-ROUUACIJSA-N 1 3 362.474 0.647 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462159 489684675 /nfs/dbraw/zinc/68/46/75/489684675.db2.gz PUDOTNVYGKRZEH-ROUUACIJSA-N 1 3 369.554 0.406 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462159 489684678 /nfs/dbraw/zinc/68/46/78/489684678.db2.gz PUDOTNVYGKRZEH-ROUUACIJSA-N 1 3 369.554 0.406 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823303 491271302 /nfs/dbraw/zinc/27/13/02/491271302.db2.gz YOLVFAWBMSXNQS-NXNVCVFFSA-N 1 3 363.506 0.593 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823303 491271304 /nfs/dbraw/zinc/27/13/04/491271304.db2.gz YOLVFAWBMSXNQS-NXNVCVFFSA-N 1 3 363.506 0.593 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823302 491271309 /nfs/dbraw/zinc/27/13/09/491271309.db2.gz YOLVFAWBMSXNQS-HDEZJCGLSA-N 1 3 363.506 0.593 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823302 491271311 /nfs/dbraw/zinc/27/13/11/491271311.db2.gz YOLVFAWBMSXNQS-HDEZJCGLSA-N 1 3 363.506 0.593 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429446090 489687877 /nfs/dbraw/zinc/68/78/77/489687877.db2.gz GMRVDUBFAGJAMK-JKSUJKDBSA-N 1 3 364.556 0.545 20 0 FCADHO O=C(NCCCN1CC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000418290292 489688815 /nfs/dbraw/zinc/68/88/15/489688815.db2.gz QOLVPPXHDPCYNF-UHFFFAOYSA-N 1 3 353.511 0.036 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000418391461 489695600 /nfs/dbraw/zinc/69/56/00/489695600.db2.gz VDFJMQSZLQFGLF-SJORKVTESA-N 1 3 363.506 0.558 20 0 FCADHO C[C@]1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCC[NH2+]C1 ZINC000418559336 489707054 /nfs/dbraw/zinc/70/70/54/489707054.db2.gz XZERBMOEBXCBTQ-SFHVURJKSA-N 1 3 353.511 0.668 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611550 489710639 /nfs/dbraw/zinc/71/06/39/489710639.db2.gz HVSVDDPEBCGJPY-CYBMUJFWSA-N 1 3 351.417 0.558 20 0 FCADHO COC[C@]1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCC[NH2+]1 ZINC000418642759 489714332 /nfs/dbraw/zinc/71/43/32/489714332.db2.gz TXJPCJWDKAFQFE-GOSISDBHSA-N 1 3 369.510 0.046 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418636577 489714482 /nfs/dbraw/zinc/71/44/82/489714482.db2.gz MJLLIYLXVAVJAP-WMZOPIPTSA-N 1 3 373.501 0.903 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418724675 489720136 /nfs/dbraw/zinc/72/01/36/489720136.db2.gz OLVXTOOWINVUCP-CVEARBPZSA-N 1 3 353.511 0.700 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000418755733 489722919 /nfs/dbraw/zinc/72/29/19/489722919.db2.gz GGYGMZITWPSUND-QGZVFWFLSA-N 1 3 363.506 0.672 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418773074 489724713 /nfs/dbraw/zinc/72/47/13/489724713.db2.gz XIVLHEGIVDCPBW-QGZVFWFLSA-N 1 3 351.470 0.803 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418772469 489725055 /nfs/dbraw/zinc/72/50/55/489725055.db2.gz WRECSLRMRGNNBJ-INIZCTEOSA-N 1 3 369.460 0.942 20 0 FCADHO CN1CC[N@H+](CCCNCc2cn(CC(N)=O)nn2)[C@@H](c2ccccc2)C1 ZINC000459370825 489729099 /nfs/dbraw/zinc/72/90/99/489729099.db2.gz RNYPBYUOFJQHSX-GOSISDBHSA-N 1 3 371.489 0.232 20 0 FCADHO CN1CC[N@@H+](CCCNCc2cn(CC(N)=O)nn2)[C@@H](c2ccccc2)C1 ZINC000459370825 489729101 /nfs/dbraw/zinc/72/91/01/489729101.db2.gz RNYPBYUOFJQHSX-GOSISDBHSA-N 1 3 371.489 0.232 20 0 FCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000418823949 489740328 /nfs/dbraw/zinc/74/03/28/489740328.db2.gz ADAISNGBCJXXCU-HRCADAONSA-N 1 3 350.507 0.871 20 0 FCADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000570964376 491276657 /nfs/dbraw/zinc/27/66/57/491276657.db2.gz QSPDYCWFSAPQAQ-KRWDZBQOSA-N 1 3 370.519 0.346 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000418857099 489760137 /nfs/dbraw/zinc/76/01/37/489760137.db2.gz YCULTNPKVAJECQ-CGTJXYLNSA-N 1 3 360.502 0.780 20 0 FCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000459859648 489771881 /nfs/dbraw/zinc/77/18/81/489771881.db2.gz FNNPTKZXKXSFSQ-UHFFFAOYSA-N 1 3 369.554 0.129 20 0 FCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000459859648 489771883 /nfs/dbraw/zinc/77/18/83/489771883.db2.gz FNNPTKZXKXSFSQ-UHFFFAOYSA-N 1 3 369.554 0.129 20 0 FCADHO CC(C)CN1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000459859648 489771886 /nfs/dbraw/zinc/77/18/86/489771886.db2.gz FNNPTKZXKXSFSQ-UHFFFAOYSA-N 1 3 369.554 0.129 20 0 FCADHO COCC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878373 489773984 /nfs/dbraw/zinc/77/39/84/489773984.db2.gz NWBVKOQNPRSUAC-YJBOKZPZSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000376705539 489780188 /nfs/dbraw/zinc/78/01/88/489780188.db2.gz FOZHHGFLPUKADV-IXDOHACOSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H](C)C1 ZINC000376705539 489780190 /nfs/dbraw/zinc/78/01/90/489780190.db2.gz FOZHHGFLPUKADV-IXDOHACOSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000376705539 489780193 /nfs/dbraw/zinc/78/01/93/489780193.db2.gz FOZHHGFLPUKADV-IXDOHACOSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000570921398 491273377 /nfs/dbraw/zinc/27/33/77/491273377.db2.gz ZNJPQDAPEUWDBS-POGZOPGASA-N 1 3 355.523 0.424 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000570921398 491273378 /nfs/dbraw/zinc/27/33/78/491273378.db2.gz ZNJPQDAPEUWDBS-POGZOPGASA-N 1 3 355.523 0.424 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418930722 489793965 /nfs/dbraw/zinc/79/39/65/489793965.db2.gz DUTGRSFSWQIGJL-OAHLLOKOSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459931370 489798468 /nfs/dbraw/zinc/79/84/68/489798468.db2.gz IYJOAIQGJAJDMB-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431285650 489799372 /nfs/dbraw/zinc/79/93/72/489799372.db2.gz UPOJSSCXSDISGR-UHFFFAOYSA-N 1 3 353.511 0.762 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945037 489799589 /nfs/dbraw/zinc/79/95/89/489799589.db2.gz KXELWVDBBPVJHW-RDJZCZTQSA-N 1 3 362.474 0.199 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000418950198 489801830 /nfs/dbraw/zinc/80/18/30/489801830.db2.gz SRSOMICFPONTBB-UKPHBRMFSA-N 1 3 364.465 0.925 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418950413 489801839 /nfs/dbraw/zinc/80/18/39/489801839.db2.gz HCYONHLFYSYPAM-IXDOHACOSA-N 1 3 368.522 0.360 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000418954178 489803293 /nfs/dbraw/zinc/80/32/93/489803293.db2.gz WCHCMXMXVWZJGG-OXQOHEQNSA-N 1 3 358.486 0.835 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000460008854 489816924 /nfs/dbraw/zinc/81/69/24/489816924.db2.gz FPRXVYITGAPVJF-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000460008854 489816929 /nfs/dbraw/zinc/81/69/29/489816929.db2.gz FPRXVYITGAPVJF-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067458 491283715 /nfs/dbraw/zinc/28/37/15/491283715.db2.gz UBAJBRALYUBXDA-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000571067458 491283716 /nfs/dbraw/zinc/28/37/16/491283716.db2.gz UBAJBRALYUBXDA-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419017551 489819682 /nfs/dbraw/zinc/81/96/82/489819682.db2.gz BBMYDKFNDRZDGM-LVQVYYBASA-N 1 3 354.495 0.188 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419021351 489821031 /nfs/dbraw/zinc/82/10/31/489821031.db2.gz GXXSTLIRLUWJHH-XUWVNRHRSA-N 1 3 354.495 0.045 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419047056 489834257 /nfs/dbraw/zinc/83/42/57/489834257.db2.gz RGJOVGBORCCDSX-HRCADAONSA-N 1 3 368.522 0.578 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419047676 489834333 /nfs/dbraw/zinc/83/43/33/489834333.db2.gz YOFPOGRUNHHUKN-CVEARBPZSA-N 1 3 368.522 0.578 20 0 FCADHO COCCN1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000564002763 491283031 /nfs/dbraw/zinc/28/30/31/491283031.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 1 3 355.527 0.375 20 0 FCADHO COCCN1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000564002763 491283033 /nfs/dbraw/zinc/28/30/33/491283033.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 1 3 355.527 0.375 20 0 FCADHO COCCOCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000460152745 489853238 /nfs/dbraw/zinc/85/32/38/489853238.db2.gz UZGWJAJYWZTXQV-UHFFFAOYSA-N 1 3 356.511 0.849 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000419122262 489866467 /nfs/dbraw/zinc/86/64/67/489866467.db2.gz FIUBETCURIFFNX-JKSUJKDBSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419982270 489871904 /nfs/dbraw/zinc/87/19/04/489871904.db2.gz BCKZWMBXOVWDJJ-PMPSAXMXSA-N 1 3 368.522 0.578 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625872 489876609 /nfs/dbraw/zinc/87/66/09/489876609.db2.gz IYGWFDMTGQYPCQ-CQSZACIVSA-N 1 3 367.498 0.693 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(N(C)C)no1 ZINC000460625872 489876611 /nfs/dbraw/zinc/87/66/11/489876611.db2.gz IYGWFDMTGQYPCQ-CQSZACIVSA-N 1 3 367.498 0.693 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419999763 489877337 /nfs/dbraw/zinc/87/73/37/489877337.db2.gz SLNSXGBHVLAJEE-WBVHZDCISA-N 1 3 361.490 0.748 20 0 FCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000420012521 489880310 /nfs/dbraw/zinc/88/03/10/489880310.db2.gz AYHKAXFODFJFMP-CABCVRRESA-N 1 3 356.511 0.793 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C[NH+]1CCCCC1 ZINC000420031899 489886932 /nfs/dbraw/zinc/88/69/32/489886932.db2.gz HMEXOXLTOMLNDU-KFWWJZLASA-N 1 3 354.495 0.454 20 0 FCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420035332 489888323 /nfs/dbraw/zinc/88/83/23/489888323.db2.gz JZONAYJMSQKREO-LSDHHAIUSA-N 1 3 356.511 0.796 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420039851 489890024 /nfs/dbraw/zinc/89/00/24/489890024.db2.gz OGZFDBIHTZOHAD-BFYDXBDKSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420039851 489890029 /nfs/dbraw/zinc/89/00/29/489890029.db2.gz OGZFDBIHTZOHAD-BFYDXBDKSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420051014 489895244 /nfs/dbraw/zinc/89/52/44/489895244.db2.gz ZQLYRCURYDNLJA-JYJNAYRXSA-N 1 3 366.506 0.693 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1)C1CC1 ZINC000420064952 489899941 /nfs/dbraw/zinc/89/99/41/489899941.db2.gz PFOQPPDUQXILHB-KRWDZBQOSA-N 1 3 350.507 0.955 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420071044 489903357 /nfs/dbraw/zinc/90/33/57/489903357.db2.gz XHHGZTYDDAOTCB-MRXNPFEDSA-N 1 3 368.428 0.709 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420071043 489903714 /nfs/dbraw/zinc/90/37/14/489903714.db2.gz XHHGZTYDDAOTCB-INIZCTEOSA-N 1 3 368.428 0.709 20 0 FCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420083728 489906150 /nfs/dbraw/zinc/90/61/50/489906150.db2.gz UMRYCGKTSYTTKD-OAHLLOKOSA-N 1 3 367.538 0.247 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420087666 489907281 /nfs/dbraw/zinc/90/72/81/489907281.db2.gz GJFYWAIFXNSMQT-UHFFFAOYSA-N 1 3 368.428 0.853 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420092241 489909076 /nfs/dbraw/zinc/90/90/76/489909076.db2.gz VRVXASSICUZTAB-HZPDHXFCSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661136 489938418 /nfs/dbraw/zinc/93/84/18/489938418.db2.gz CRQRMJRWOCRSLD-AEFFLSMTSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661136 489938422 /nfs/dbraw/zinc/93/84/22/489938422.db2.gz CRQRMJRWOCRSLD-AEFFLSMTSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000377661136 489938424 /nfs/dbraw/zinc/93/84/24/489938424.db2.gz CRQRMJRWOCRSLD-AEFFLSMTSA-N 1 3 351.539 0.249 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169703 491290247 /nfs/dbraw/zinc/29/02/47/491290247.db2.gz YAVXQTCOODHJPB-BRWVUGGUSA-N 1 3 363.506 0.608 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420197103 489948182 /nfs/dbraw/zinc/94/81/82/489948182.db2.gz LGEGIWSBHKPXRL-WMLDXEAASA-N 1 3 364.465 0.960 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000477201998 489949868 /nfs/dbraw/zinc/94/98/68/489949868.db2.gz GWKJULNEFHJWIM-APWZRJJASA-N 1 3 370.538 0.650 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420323919 489962631 /nfs/dbraw/zinc/96/26/31/489962631.db2.gz UPRAWOZVYNLAMS-QYZOEREBSA-N 1 3 361.486 0.488 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420323919 489962634 /nfs/dbraw/zinc/96/26/34/489962634.db2.gz UPRAWOZVYNLAMS-QYZOEREBSA-N 1 3 361.486 0.488 20 0 FCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000420323919 489962637 /nfs/dbraw/zinc/96/26/37/489962637.db2.gz UPRAWOZVYNLAMS-QYZOEREBSA-N 1 3 361.486 0.488 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867507 489963396 /nfs/dbraw/zinc/96/33/96/489963396.db2.gz FDILKAKBEJKWEW-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867507 489963400 /nfs/dbraw/zinc/96/34/00/489963400.db2.gz FDILKAKBEJKWEW-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)CN[C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374768 489969603 /nfs/dbraw/zinc/96/96/03/489969603.db2.gz SJLIKEXXHAEMSI-ZWKOTPCHSA-N 1 3 354.539 0.957 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+][C@H](CN)C2CCCCC2)C1 ZINC000420374768 489969609 /nfs/dbraw/zinc/96/96/09/489969609.db2.gz SJLIKEXXHAEMSI-ZWKOTPCHSA-N 1 3 354.539 0.957 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000477678784 489984071 /nfs/dbraw/zinc/98/40/71/489984071.db2.gz NWRHEHJIFFNEMN-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000477678784 489984074 /nfs/dbraw/zinc/98/40/74/489984074.db2.gz NWRHEHJIFFNEMN-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000477678786 489984263 /nfs/dbraw/zinc/98/42/63/489984263.db2.gz NWRHEHJIFFNEMN-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000477678786 489984268 /nfs/dbraw/zinc/98/42/68/489984268.db2.gz NWRHEHJIFFNEMN-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@H]1CCC[C@](CNC(=O)C(=O)NCCOCCN(C)C)([NH+](C)C)C1 ZINC000478013390 490000814 /nfs/dbraw/zinc/00/08/14/490000814.db2.gz CVMVLJNTBLZVDV-YJBOKZPZSA-N 1 3 356.511 0.308 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479201605 490072720 /nfs/dbraw/zinc/07/27/20/490072720.db2.gz ISCWKVCHMTVVPL-IAGOWNOFSA-N 1 3 364.465 0.927 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000532672974 490094729 /nfs/dbraw/zinc/09/47/29/490094729.db2.gz BMEMFSPZFHJIBP-RTBURBONSA-N 1 3 366.550 0.898 20 0 FCADHO CC1[C@@H](C(=O)N(C)C[C@H]2CCCN2C)[C@@H]1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421710172 490100010 /nfs/dbraw/zinc/10/00/10/490100010.db2.gz JFZQCSYQTXRNTN-BRSBDYLESA-N 1 3 364.534 0.974 20 0 FCADHO CC1[C@@H](C(=O)N(C)C[C@H]2CCCN2C)[C@@H]1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421710172 490100015 /nfs/dbraw/zinc/10/00/15/490100015.db2.gz JFZQCSYQTXRNTN-BRSBDYLESA-N 1 3 364.534 0.974 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727328 490101735 /nfs/dbraw/zinc/10/17/35/490101735.db2.gz WMARJORJUTWQJS-RHSMWYFYSA-N 1 3 356.536 0.388 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727328 490101739 /nfs/dbraw/zinc/10/17/39/490101739.db2.gz WMARJORJUTWQJS-RHSMWYFYSA-N 1 3 356.536 0.388 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@H]2CCCN2C)CC1=O ZINC000422012802 490125504 /nfs/dbraw/zinc/12/55/04/490125504.db2.gz CJCMUQZBIPCLSQ-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@H]2CCCN2C)CC1=O ZINC000422012802 490125517 /nfs/dbraw/zinc/12/55/17/490125517.db2.gz CJCMUQZBIPCLSQ-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000465852911 490147319 /nfs/dbraw/zinc/14/73/19/490147319.db2.gz XTRXHPDICZKTMQ-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000465852911 490147321 /nfs/dbraw/zinc/14/73/21/490147321.db2.gz XTRXHPDICZKTMQ-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO COCCN(C)CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465838558 490147340 /nfs/dbraw/zinc/14/73/40/490147340.db2.gz FBLVUGYQINROFI-UHFFFAOYSA-N 1 3 356.511 0.851 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460152 490151100 /nfs/dbraw/zinc/15/11/00/490151100.db2.gz ZAFGTTFMMUEXCN-RDJZCZTQSA-N 1 3 366.506 0.322 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460152 490151107 /nfs/dbraw/zinc/15/11/07/490151107.db2.gz ZAFGTTFMMUEXCN-RDJZCZTQSA-N 1 3 366.506 0.322 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502800 490192482 /nfs/dbraw/zinc/19/24/82/490192482.db2.gz ITYJZFQYAVVRTE-IIAWOOMASA-N 1 3 351.495 0.356 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502800 490192490 /nfs/dbraw/zinc/19/24/90/490192490.db2.gz ITYJZFQYAVVRTE-IIAWOOMASA-N 1 3 351.495 0.356 20 0 FCADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@H]2C1 ZINC000497676571 490193475 /nfs/dbraw/zinc/19/34/75/490193475.db2.gz IIDKKTAWMFBRMN-MSOLQXFVSA-N 1 3 367.538 0.112 20 0 FCADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@H]2C1 ZINC000497676571 490193479 /nfs/dbraw/zinc/19/34/79/490193479.db2.gz IIDKKTAWMFBRMN-MSOLQXFVSA-N 1 3 367.538 0.112 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000571418785 491306483 /nfs/dbraw/zinc/30/64/83/491306483.db2.gz NNJZABZOMPKREG-RTBURBONSA-N 1 3 359.518 0.848 20 0 FCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414637 490218934 /nfs/dbraw/zinc/21/89/34/490218934.db2.gz PSZISRSAHOLJKO-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414637 490218937 /nfs/dbraw/zinc/21/89/37/490218937.db2.gz PSZISRSAHOLJKO-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)CC1 ZINC000498033685 490247604 /nfs/dbraw/zinc/24/76/04/490247604.db2.gz VSURCDPBZWJXRI-KZNAEPCWSA-N 1 3 369.554 0.357 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344037 490270030 /nfs/dbraw/zinc/27/00/30/490270030.db2.gz USASOMCAOFDZBE-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344037 490270040 /nfs/dbraw/zinc/27/00/40/490270040.db2.gz USASOMCAOFDZBE-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000422348747 490271973 /nfs/dbraw/zinc/27/19/73/490271973.db2.gz GDALEPAQOMABEA-SFHVURJKSA-N 1 3 372.513 0.754 20 0 FCADHO C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@@H]1C ZINC000521591433 490278970 /nfs/dbraw/zinc/27/89/70/490278970.db2.gz WMCFDJGNHLLYBW-YZDRTPDPSA-N 1 3 351.495 0.462 20 0 FCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCCCN1CCOCC1 ZINC000498434455 490294553 /nfs/dbraw/zinc/29/45/53/490294553.db2.gz QDLFNCRSQBMOGK-UHFFFAOYSA-N 1 3 354.539 0.973 20 0 FCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCCCN1CCOCC1 ZINC000498434455 490294558 /nfs/dbraw/zinc/29/45/58/490294558.db2.gz QDLFNCRSQBMOGK-UHFFFAOYSA-N 1 3 354.539 0.973 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCCCN1CCOCC1 ZINC000498434455 490294564 /nfs/dbraw/zinc/29/45/64/490294564.db2.gz QDLFNCRSQBMOGK-UHFFFAOYSA-N 1 3 354.539 0.973 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000483333299 490309281 /nfs/dbraw/zinc/30/92/81/490309281.db2.gz LLCRLLIFHUMBJI-IXDOHACOSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897324 490310102 /nfs/dbraw/zinc/31/01/02/490310102.db2.gz BGJMKTBTVMGNDH-DOTOQJQBSA-N 1 3 361.490 0.476 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467707317 490332135 /nfs/dbraw/zinc/33/21/35/490332135.db2.gz XLLUDJAISJLAGQ-DJSILETISA-N 1 3 351.491 0.807 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000571642255 491320247 /nfs/dbraw/zinc/32/02/47/491320247.db2.gz KHAOXFBLYLTKOK-UONOGXRCSA-N 1 3 352.454 0.958 20 0 FCADHO C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1CC(C)(C)O ZINC000548032947 490409377 /nfs/dbraw/zinc/40/93/77/490409377.db2.gz LQWMPSNMXRRRNB-QGZVFWFLSA-N 1 3 369.554 0.501 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000509354866 490418986 /nfs/dbraw/zinc/41/89/86/490418986.db2.gz AYJGFCUBRVLRJP-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000509407427 490423049 /nfs/dbraw/zinc/42/30/49/490423049.db2.gz JZLVALOYOVDWNO-UHFFFAOYSA-N 1 3 355.527 0.914 20 0 FCADHO C[C@@H](Cc1ccsc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556660088 491326302 /nfs/dbraw/zinc/32/63/02/491326302.db2.gz FCHHQKDAVFLRBO-AWEZNQCLSA-N 1 3 354.520 0.747 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411369461 490440373 /nfs/dbraw/zinc/44/03/73/490440373.db2.gz LSWVFHFAHWROPA-UHFFFAOYSA-N 1 3 350.463 0.426 20 0 FCADHO CS[C@@H]1C[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1N1CCCC1 ZINC000484626379 490449909 /nfs/dbraw/zinc/44/99/09/490449909.db2.gz ITMYNYFYULIZIQ-CWQOZTLDSA-N 1 3 357.564 0.968 20 0 FCADHO CS[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1N1CCCC1 ZINC000484626379 490449914 /nfs/dbraw/zinc/44/99/14/490449914.db2.gz ITMYNYFYULIZIQ-CWQOZTLDSA-N 1 3 357.564 0.968 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000509706601 490453523 /nfs/dbraw/zinc/45/35/23/490453523.db2.gz PMVXUWMZHDBNAC-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000509739910 490459247 /nfs/dbraw/zinc/45/92/47/490459247.db2.gz WTBNCDZUMCDHCY-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000509739910 490459250 /nfs/dbraw/zinc/45/92/50/490459250.db2.gz WTBNCDZUMCDHCY-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO COc1ccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000564894698 491333817 /nfs/dbraw/zinc/33/38/17/491333817.db2.gz PYXUCWDWBLFVSA-MSOLQXFVSA-N 1 3 374.485 0.817 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423059958 490533010 /nfs/dbraw/zinc/53/30/10/490533010.db2.gz GYKYSUSRKBMXKY-MRXNPFEDSA-N 1 3 368.522 0.247 20 0 FCADHO COC[C@@]1(CNS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CCC[NH2+]1 ZINC000571881666 491335028 /nfs/dbraw/zinc/33/50/28/491335028.db2.gz XBUYTWWFPUVXAQ-INIZCTEOSA-N 1 3 373.523 0.108 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524794356 490561348 /nfs/dbraw/zinc/56/13/48/490561348.db2.gz PRPOCNTZVODEBR-NRFANRHFSA-N 1 3 374.529 0.767 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524794356 490561353 /nfs/dbraw/zinc/56/13/53/490561353.db2.gz PRPOCNTZVODEBR-NRFANRHFSA-N 1 3 374.529 0.767 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000571941754 491338940 /nfs/dbraw/zinc/33/89/40/491338940.db2.gz XVZPTKXLVYPBAW-YVSFHVDLSA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000571941754 491338941 /nfs/dbraw/zinc/33/89/41/491338941.db2.gz XVZPTKXLVYPBAW-YVSFHVDLSA-N 1 3 365.522 0.698 20 0 FCADHO CN(C)Cc1ccccc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000486430314 490622884 /nfs/dbraw/zinc/62/28/84/490622884.db2.gz AANOTWIOQUKGQR-UHFFFAOYSA-N 1 3 372.473 0.875 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(Cl)c1 ZINC000550076988 490623316 /nfs/dbraw/zinc/62/33/16/490623316.db2.gz WOGQTQVRRNNBQM-UHFFFAOYSA-N 1 3 368.909 0.951 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122044 490627401 /nfs/dbraw/zinc/62/74/01/490627401.db2.gz ONZRCHKSDZJROY-KSSFIOAISA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1N(C)C ZINC000501632856 490628596 /nfs/dbraw/zinc/62/85/96/490628596.db2.gz BJDKZQFWKXDWBJ-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1N(C)C ZINC000501632856 490628603 /nfs/dbraw/zinc/62/86/03/490628603.db2.gz BJDKZQFWKXDWBJ-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000501643392 490629572 /nfs/dbraw/zinc/62/95/72/490629572.db2.gz VWVPXAJFXTWMAS-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000501643392 490629578 /nfs/dbraw/zinc/62/95/78/490629578.db2.gz VWVPXAJFXTWMAS-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)[C@@H](CNC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001201 491341979 /nfs/dbraw/zinc/34/19/79/491341979.db2.gz BEWWFQKTKXAEDV-OALUTQOASA-N 1 3 359.518 0.385 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC(C)(C)N(C)C)CC1 ZINC000537084604 490645707 /nfs/dbraw/zinc/64/57/07/490645707.db2.gz PNPPBIUPZXSASX-UHFFFAOYSA-N 1 3 364.494 0.935 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000550463835 490671648 /nfs/dbraw/zinc/67/16/48/490671648.db2.gz GGLYWSVOZHVZKU-INIZCTEOSA-N 1 3 350.507 0.991 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000526074989 490673172 /nfs/dbraw/zinc/67/31/72/490673172.db2.gz WYFRCYWRFVPWED-QGZVFWFLSA-N 1 3 355.527 0.375 20 0 FCADHO CNC(=O)COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000527375490 490721299 /nfs/dbraw/zinc/72/12/99/490721299.db2.gz ANXAHXQFQLSXFX-UHFFFAOYSA-N 1 3 365.478 0.769 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015089 491349837 /nfs/dbraw/zinc/34/98/37/491349837.db2.gz BFCQJIWTYSNGKR-DLBZAZTESA-N 1 3 367.538 0.070 20 0 FCADHO COCCCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487671685 490724344 /nfs/dbraw/zinc/72/43/44/490724344.db2.gz GRQDWROGCIWXCC-DLBZAZTESA-N 1 3 356.511 0.632 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1CCCC1=O ZINC000565069760 491350289 /nfs/dbraw/zinc/35/02/89/491350289.db2.gz KSNOGAHNQRWJJG-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1CCCC1=O ZINC000565069760 491350290 /nfs/dbraw/zinc/35/02/90/491350290.db2.gz KSNOGAHNQRWJJG-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000488618717 490767830 /nfs/dbraw/zinc/76/78/30/490767830.db2.gz GQXDFTZXZSJZDF-LPHOPBHVSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000488618717 490767833 /nfs/dbraw/zinc/76/78/33/490767833.db2.gz GQXDFTZXZSJZDF-LPHOPBHVSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000514861882 490793536 /nfs/dbraw/zinc/79/35/36/490793536.db2.gz VKTQZMFMUOTUKE-ZQIUZPCESA-N 1 3 362.474 0.111 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCO1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000514925116 490798104 /nfs/dbraw/zinc/79/81/04/490798104.db2.gz JNJDOJNWZZYTBN-QZTJIDSGSA-N 1 3 362.474 0.565 20 0 FCADHO O=C(N[C@H]1CC[NH2+]C1)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000515073134 490807503 /nfs/dbraw/zinc/80/75/03/490807503.db2.gz GFEQADRYCZEVBC-OALUTQOASA-N 1 3 357.502 0.950 20 0 FCADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1conc1C(C)(C)N ZINC000515073954 490807687 /nfs/dbraw/zinc/80/76/87/490807687.db2.gz VQRXNWXRNCRBNA-ZDUSSCGKSA-N 1 3 351.451 0.541 20 0 FCADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1conc1C(C)(C)N ZINC000515073954 490807689 /nfs/dbraw/zinc/80/76/89/490807689.db2.gz VQRXNWXRNCRBNA-ZDUSSCGKSA-N 1 3 351.451 0.541 20 0 FCADHO CN1CC[C@](O)(CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000504924136 490814805 /nfs/dbraw/zinc/81/48/05/490814805.db2.gz NKMWBDDELFQKHN-FQEVSTJZSA-N 1 3 371.485 0.908 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000572242945 491357824 /nfs/dbraw/zinc/35/78/24/491357824.db2.gz DOHTWDJSCHZMNB-UOVPBQLFSA-N 1 3 358.486 0.961 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCO1 ZINC000516207288 490856676 /nfs/dbraw/zinc/85/66/76/490856676.db2.gz MSHUZCGXGSYJKD-IAGOWNOFSA-N 1 3 366.506 0.300 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCO1 ZINC000516207288 490856678 /nfs/dbraw/zinc/85/66/78/490856678.db2.gz MSHUZCGXGSYJKD-IAGOWNOFSA-N 1 3 366.506 0.300 20 0 FCADHO O=C1[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1C1CCCCC1 ZINC000530124314 490889641 /nfs/dbraw/zinc/88/96/41/490889641.db2.gz GFFABFHTNCXIOQ-IBGZPJMESA-N 1 3 366.550 0.900 20 0 FCADHO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)C(=O)NCCN(C)C ZINC000517228230 490899640 /nfs/dbraw/zinc/89/96/40/490899640.db2.gz LSSXQARNKQEQQL-AWEZNQCLSA-N 1 3 350.463 0.423 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCCNCC3)C2)CC1 ZINC000517731061 490918366 /nfs/dbraw/zinc/91/83/66/490918366.db2.gz HFOKKRANCIVFKC-QGZVFWFLSA-N 1 3 350.507 0.779 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000517738690 490918848 /nfs/dbraw/zinc/91/88/48/490918848.db2.gz OSLWDPHYBWLRJR-IRXDYDNUSA-N 1 3 363.506 0.563 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000517738690 490918850 /nfs/dbraw/zinc/91/88/50/490918850.db2.gz OSLWDPHYBWLRJR-IRXDYDNUSA-N 1 3 363.506 0.563 20 0 FCADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000531122092 490941661 /nfs/dbraw/zinc/94/16/61/490941661.db2.gz VBRIASUSQYUHPK-CQSZACIVSA-N 1 3 367.494 0.191 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000518540312 490944774 /nfs/dbraw/zinc/94/47/74/490944774.db2.gz GQDNUZSASSXGPL-JFIYKMOQSA-N 1 3 366.506 0.141 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000544628883 490973745 /nfs/dbraw/zinc/97/37/45/490973745.db2.gz WLDJYTQCDRWJTR-INIZCTEOSA-N 1 3 350.463 0.815 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000519643550 490981491 /nfs/dbraw/zinc/98/14/91/490981491.db2.gz SVZGNZYQISZGBI-DOTOQJQBSA-N 1 3 350.507 0.635 20 0 FCADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)C1(C)C ZINC000569719467 491185748 /nfs/dbraw/zinc/18/57/48/491185748.db2.gz BPQRCWSCNCKJOR-MDZRGWNJSA-N 1 3 352.523 0.757 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673512459 493338397 /nfs/dbraw/zinc/33/83/97/493338397.db2.gz GMHPGHBFEWRTOU-VQTJNVASSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512459 493338401 /nfs/dbraw/zinc/33/84/01/493338401.db2.gz GMHPGHBFEWRTOU-VQTJNVASSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673512459 493338404 /nfs/dbraw/zinc/33/84/04/493338404.db2.gz GMHPGHBFEWRTOU-VQTJNVASSA-N 1 3 372.513 0.866 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845403 491397143 /nfs/dbraw/zinc/39/71/43/491397143.db2.gz QNUPHNFJHIZAIC-ZACQAIPSSA-N 1 3 366.506 0.141 20 0 FCADHO C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)NCC[NH+](C)C ZINC000572898804 491400830 /nfs/dbraw/zinc/40/08/30/491400830.db2.gz KIEGJSQTCYEPSN-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000668360351 493340477 /nfs/dbraw/zinc/34/04/77/493340477.db2.gz ZTVDSAOTZGNHRS-MRXNPFEDSA-N 1 3 366.506 0.347 20 0 FCADHO CN1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000565823306 491401367 /nfs/dbraw/zinc/40/13/67/491401367.db2.gz KFAGUVHQGXGHFK-OAHLLOKOSA-N 1 3 355.552 0.632 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209458 491419633 /nfs/dbraw/zinc/41/96/33/491419633.db2.gz OHVUBKFLHKFVLH-BZUAXINKSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209458 491419634 /nfs/dbraw/zinc/41/96/34/491419634.db2.gz OHVUBKFLHKFVLH-BZUAXINKSA-N 1 3 354.495 0.202 20 0 FCADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000573250891 491422536 /nfs/dbraw/zinc/42/25/36/491422536.db2.gz JDDPCJJVHLRCMT-ZWKOTPCHSA-N 1 3 374.485 0.817 20 0 FCADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000573250890 491422580 /nfs/dbraw/zinc/42/25/80/491422580.db2.gz JDDPCJJVHLRCMT-ROUUACIJSA-N 1 3 374.485 0.817 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496680 491448980 /nfs/dbraw/zinc/44/89/80/491448980.db2.gz SZUAQUZXLWUVCI-QZTJIDSGSA-N 1 3 356.470 0.669 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C[C@H](C)O)CC3)CC2)CC1 ZINC000574414927 491494801 /nfs/dbraw/zinc/49/48/01/491494801.db2.gz STAVABLQQZOXML-KRWDZBQOSA-N 1 3 366.550 0.708 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000574511045 491501621 /nfs/dbraw/zinc/50/16/21/491501621.db2.gz RSTBQFYOYQKMLN-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559868012 491506728 /nfs/dbraw/zinc/50/67/28/491506728.db2.gz WZKJZBFNHIEXDI-HACGYAERSA-N 1 3 354.520 0.139 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013075 491514421 /nfs/dbraw/zinc/51/44/21/491514421.db2.gz HXDOEQBEKARVHG-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000567754805 491527429 /nfs/dbraw/zinc/52/74/29/491527429.db2.gz SHKWRLLVQKURMR-ZWKOTPCHSA-N 1 3 360.502 0.861 20 0 FCADHO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(CCOCC[NH3+])C2)cc1 ZINC000567897458 491539473 /nfs/dbraw/zinc/53/94/73/491539473.db2.gz PBDFZYLBCFANDD-MRXNPFEDSA-N 1 3 355.504 0.961 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC(O)(C[NH3+])CC2)CC1 ZINC000567987224 491545112 /nfs/dbraw/zinc/54/51/12/491545112.db2.gz VTJLLYBVEDELRZ-UHFFFAOYSA-N 1 3 374.529 0.815 20 0 FCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568286848 491566909 /nfs/dbraw/zinc/56/69/09/491566909.db2.gz IEOYATNYSKGFDT-MSOLQXFVSA-N 1 3 373.501 0.982 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000568373555 491572012 /nfs/dbraw/zinc/57/20/12/491572012.db2.gz FZMVBOXZEJVIJZ-FXUDXRNXSA-N 1 3 350.507 0.809 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCCO1 ZINC000576027015 491576850 /nfs/dbraw/zinc/57/68/50/491576850.db2.gz IJTPNSXZNVZNRD-JKSUJKDBSA-N 1 3 352.479 0.040 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNC(=O)C3CC3)CC2)CC1 ZINC000561197437 491582126 /nfs/dbraw/zinc/58/21/26/491582126.db2.gz XYXZDDQFPWWIHY-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000568534836 491584380 /nfs/dbraw/zinc/58/43/80/491584380.db2.gz FKGSOHFPCHWHDM-SZMVWBNQSA-N 1 3 358.486 0.976 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000561276835 491593582 /nfs/dbraw/zinc/59/35/82/491593582.db2.gz JRHSFIDXYHGNLW-AWEZNQCLSA-N 1 3 351.499 0.038 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000568745669 491605563 /nfs/dbraw/zinc/60/55/63/491605563.db2.gz YUUNXOXHHRHSOZ-BFYDXBDKSA-N 1 3 366.506 0.202 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000568766663 491607896 /nfs/dbraw/zinc/60/78/96/491607896.db2.gz DPJVDDYGEQGLOA-YESZJQIVSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000568802305 491610835 /nfs/dbraw/zinc/61/08/35/491610835.db2.gz LODBNMMAIKMHIM-HUUCEWRRSA-N 1 3 350.507 0.942 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569002304 491626634 /nfs/dbraw/zinc/62/66/34/491626634.db2.gz ASJHJHOKMIZYGD-YHUYYLMFSA-N 1 3 368.522 0.576 20 0 FCADHO C[C@@H]1CCNC(=O)[C@@H]1NCc1ccccc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000569066163 491631464 /nfs/dbraw/zinc/63/14/64/491631464.db2.gz UDMPCVHVDHKMQB-DTTOXWODSA-N 1 3 358.486 0.915 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(O)CCO[C@@H]3C)CC2)CC1 ZINC000576715795 491638707 /nfs/dbraw/zinc/63/87/07/491638707.db2.gz OQPKEMURSIVDFM-DNVCBOLYSA-N 1 3 353.507 0.839 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(O)CCO[C@H]3C)CC2)CC1 ZINC000576715834 491638747 /nfs/dbraw/zinc/63/87/47/491638747.db2.gz OQPKEMURSIVDFM-KXBFYZLASA-N 1 3 353.507 0.839 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000569266349 491647484 /nfs/dbraw/zinc/64/74/84/491647484.db2.gz UYHWOVYLYAIAFS-HZPDHXFCSA-N 1 3 354.495 0.012 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(CCO)CCOC3)CC2)CC1 ZINC000576836212 491649126 /nfs/dbraw/zinc/64/91/26/491649126.db2.gz GBNMLQLTZFRWIR-LJQANCHMSA-N 1 3 353.507 0.840 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000569409083 491660000 /nfs/dbraw/zinc/66/00/00/491660000.db2.gz MVOFAKBJDZVQQL-FVQBIDKESA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000569409083 491660002 /nfs/dbraw/zinc/66/00/02/491660002.db2.gz MVOFAKBJDZVQQL-FVQBIDKESA-N 1 3 350.507 0.822 20 0 FCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576959182 491660605 /nfs/dbraw/zinc/66/06/05/491660605.db2.gz XWVBKCCKCLQDIA-PMPSAXMXSA-N 1 3 351.495 0.594 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576959182 491660608 /nfs/dbraw/zinc/66/06/08/491660608.db2.gz XWVBKCCKCLQDIA-PMPSAXMXSA-N 1 3 351.495 0.594 20 0 FCADHO CCn1ccnc1CN(CCC(=O)N1CCNCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569459023 491663313 /nfs/dbraw/zinc/66/33/13/491663313.db2.gz RFKDAYCSVWVFRK-QGZVFWFLSA-N 1 3 374.533 0.669 20 0 FCADHO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000577935150 491663707 /nfs/dbraw/zinc/66/37/07/491663707.db2.gz MGLGODLWLKMKTG-GOEBONIOSA-N 1 3 360.458 0.858 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000578401913 491676609 /nfs/dbraw/zinc/67/66/09/491676609.db2.gz FVBOCHDHQRGMEG-HNNXBMFYSA-N 1 3 356.511 0.260 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000578497673 491678302 /nfs/dbraw/zinc/67/83/02/491678302.db2.gz UDRFUPNGAODJLF-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000578645096 491681655 /nfs/dbraw/zinc/68/16/55/491681655.db2.gz XOJVTNHPZIVZHD-LJQANCHMSA-N 1 3 359.518 0.850 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579147907 491692026 /nfs/dbraw/zinc/69/20/26/491692026.db2.gz WZWVIIQZNCHMMK-LSDHHAIUSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147907 491692027 /nfs/dbraw/zinc/69/20/27/491692027.db2.gz WZWVIIQZNCHMMK-LSDHHAIUSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359986 491696368 /nfs/dbraw/zinc/69/63/68/491696368.db2.gz YYNQVNMJMIPGBH-MSOLQXFVSA-N 1 3 372.517 0.979 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)NCCF)CC2)CC1 ZINC000579972006 491711915 /nfs/dbraw/zinc/71/19/15/491711915.db2.gz LDCPJJFXPVQIQF-AWEZNQCLSA-N 1 3 356.486 0.773 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584836163 491716317 /nfs/dbraw/zinc/71/63/17/491716317.db2.gz BDDFCUIASCTCDB-YJBOKZPZSA-N 1 3 373.501 0.982 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000587100107 491734807 /nfs/dbraw/zinc/73/48/07/491734807.db2.gz OUUYWZDMRJSAAG-BBWFWOEESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587100107 491734808 /nfs/dbraw/zinc/73/48/08/491734808.db2.gz OUUYWZDMRJSAAG-BBWFWOEESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000580548450 491735552 /nfs/dbraw/zinc/73/55/52/491735552.db2.gz XWXKTJSZFUAHGK-QGZVFWFLSA-N 1 3 362.474 0.154 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580639658 491739688 /nfs/dbraw/zinc/73/96/88/491739688.db2.gz QBLLEWNVCBGDHW-NRFANRHFSA-N 1 3 370.497 0.933 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580639658 491739689 /nfs/dbraw/zinc/73/96/89/491739689.db2.gz QBLLEWNVCBGDHW-NRFANRHFSA-N 1 3 370.497 0.933 20 0 FCADHO CC[N@H+](CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C(C)C ZINC000588294725 491743717 /nfs/dbraw/zinc/74/37/17/491743717.db2.gz IJIMBXDMBCXGRW-MRXNPFEDSA-N 1 3 355.527 0.959 20 0 FCADHO CC[N@@H+](CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C(C)C ZINC000588294725 491743719 /nfs/dbraw/zinc/74/37/19/491743719.db2.gz IJIMBXDMBCXGRW-MRXNPFEDSA-N 1 3 355.527 0.959 20 0 FCADHO CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]2C1 ZINC000580925980 491751799 /nfs/dbraw/zinc/75/17/99/491751799.db2.gz RIPHLDYCPWDBNG-BZSNNMDCSA-N 1 3 367.538 0.768 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000581502683 491775708 /nfs/dbraw/zinc/77/57/08/491775708.db2.gz AQSYZDXTMYDJSJ-OAHLLOKOSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000581502683 491775709 /nfs/dbraw/zinc/77/57/09/491775709.db2.gz AQSYZDXTMYDJSJ-OAHLLOKOSA-N 1 3 350.507 0.824 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCCC1 ZINC000581724377 491784244 /nfs/dbraw/zinc/78/42/44/491784244.db2.gz ZMZJJVOYUOWBOA-HNNXBMFYSA-N 1 3 368.547 0.723 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000582423369 491811872 /nfs/dbraw/zinc/81/18/72/491811872.db2.gz USLNBOOSPWJHCB-QGZVFWFLSA-N 1 3 360.458 0.450 20 0 FCADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CCN2C1=O ZINC000582914919 491832322 /nfs/dbraw/zinc/83/23/22/491832322.db2.gz HNJWKQCLUHEDLR-KZNAEPCWSA-N 1 3 371.485 0.604 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCCO1 ZINC000583045811 491836912 /nfs/dbraw/zinc/83/69/12/491836912.db2.gz URRWPBRBRVXAHI-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCCO1 ZINC000583045811 491836913 /nfs/dbraw/zinc/83/69/13/491836913.db2.gz URRWPBRBRVXAHI-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO CO[C@@H](CN)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000584050010 491857290 /nfs/dbraw/zinc/85/72/90/491857290.db2.gz FCOLZFDMTNBIED-SFHVURJKSA-N 1 3 365.474 0.766 20 0 FCADHO CO[C@@H](CN)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000584050010 491857291 /nfs/dbraw/zinc/85/72/91/491857291.db2.gz FCOLZFDMTNBIED-SFHVURJKSA-N 1 3 365.474 0.766 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(CC3CC3)C2)CC1=O ZINC000594871815 491868911 /nfs/dbraw/zinc/86/89/11/491868911.db2.gz GAEORKMDILNVQT-FGTMMUONSA-N 1 3 362.518 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(CC3CC3)C2)CC1=O ZINC000594871815 491868912 /nfs/dbraw/zinc/86/89/12/491868912.db2.gz GAEORKMDILNVQT-FGTMMUONSA-N 1 3 362.518 0.920 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000611954463 491884860 /nfs/dbraw/zinc/88/48/60/491884860.db2.gz BSBKEDZJOGUVAO-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000611954463 491884864 /nfs/dbraw/zinc/88/48/64/491884864.db2.gz BSBKEDZJOGUVAO-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000595273706 491910198 /nfs/dbraw/zinc/91/01/98/491910198.db2.gz LPLBNAXXFRFOPI-SJORKVTESA-N 1 3 365.522 0.985 20 0 FCADHO CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000595273706 491910201 /nfs/dbraw/zinc/91/02/01/491910201.db2.gz LPLBNAXXFRFOPI-SJORKVTESA-N 1 3 365.522 0.985 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546877 491932609 /nfs/dbraw/zinc/93/26/09/491932609.db2.gz WUSSXBXNQHRLNQ-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612919341 491958586 /nfs/dbraw/zinc/95/85/86/491958586.db2.gz UXJDOBCNPZDJEW-HUUCEWRRSA-N 1 3 361.494 0.460 20 0 FCADHO O=C(NC[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916384 491958684 /nfs/dbraw/zinc/95/86/84/491958684.db2.gz PHRJELISBDALCE-LSDHHAIUSA-N 1 3 361.494 0.318 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC000595894687 491959899 /nfs/dbraw/zinc/95/98/99/491959899.db2.gz YLMVPKNRUNGTMS-PMPSAXMXSA-N 1 3 353.463 0.369 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612970853 491960243 /nfs/dbraw/zinc/96/02/43/491960243.db2.gz QEZOGGULTNMMCZ-HNNXBMFYSA-N 1 3 351.495 0.324 20 0 FCADHO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000603254746 492021621 /nfs/dbraw/zinc/02/16/21/492021621.db2.gz ANFATXFHOMVKDY-HNNXBMFYSA-N 1 3 370.519 0.305 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000597216210 492022608 /nfs/dbraw/zinc/02/26/08/492022608.db2.gz YCKWBKYTNGSWCA-DLBZAZTESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000597216210 492022609 /nfs/dbraw/zinc/02/26/09/492022609.db2.gz YCKWBKYTNGSWCA-DLBZAZTESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000597216213 492022780 /nfs/dbraw/zinc/02/27/80/492022780.db2.gz YCKWBKYTNGSWCA-IRXDYDNUSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000597216213 492022782 /nfs/dbraw/zinc/02/27/82/492022782.db2.gz YCKWBKYTNGSWCA-IRXDYDNUSA-N 1 3 365.522 0.855 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](O)C3CCOCC3)CC2)CC1 ZINC000605882972 492104733 /nfs/dbraw/zinc/10/47/33/492104733.db2.gz PXEQCYNAGNSHIV-SFHVURJKSA-N 1 3 368.522 0.632 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606702600 492127400 /nfs/dbraw/zinc/12/74/00/492127400.db2.gz ARWKOAAWHAZJGL-INIZCTEOSA-N 1 3 367.538 0.912 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2(O)CCN(C)CC2)[C@H](C)C1 ZINC000607245698 492142028 /nfs/dbraw/zinc/14/20/28/492142028.db2.gz YTEAFQBCGNRGBN-SJORKVTESA-N 1 3 370.538 0.879 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCC2(O)CCN(C)CC2)[C@H](C)C1 ZINC000607245698 492142030 /nfs/dbraw/zinc/14/20/30/492142030.db2.gz YTEAFQBCGNRGBN-SJORKVTESA-N 1 3 370.538 0.879 20 0 FCADHO COC(=O)c1cnn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000599225214 492145321 /nfs/dbraw/zinc/14/53/21/492145321.db2.gz GJMBQKANSBYVLG-UHFFFAOYSA-N 1 3 363.462 0.345 20 0 FCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552651 492303204 /nfs/dbraw/zinc/30/32/04/492303204.db2.gz OPORLZAZMMLITI-QZTJIDSGSA-N 1 3 358.486 0.822 20 0 FCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552651 492303206 /nfs/dbraw/zinc/30/32/06/492303206.db2.gz OPORLZAZMMLITI-QZTJIDSGSA-N 1 3 358.486 0.822 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552652 492303639 /nfs/dbraw/zinc/30/36/39/492303639.db2.gz OPORLZAZMMLITI-ROUUACIJSA-N 1 3 358.486 0.822 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552652 492303644 /nfs/dbraw/zinc/30/36/44/492303644.db2.gz OPORLZAZMMLITI-ROUUACIJSA-N 1 3 358.486 0.822 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642537941 492362518 /nfs/dbraw/zinc/36/25/18/492362518.db2.gz JSZMEVQAIAXFPI-UHFFFAOYSA-N 1 3 362.474 0.583 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000642722788 492380236 /nfs/dbraw/zinc/38/02/36/492380236.db2.gz BZHBVQSZPXNYMI-BBWFWOEESA-N 1 3 368.522 0.434 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000642725938 492380455 /nfs/dbraw/zinc/38/04/55/492380455.db2.gz DVVZOYOSPAWHCM-KRWDZBQOSA-N 1 3 358.486 0.460 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000642733853 492382926 /nfs/dbraw/zinc/38/29/26/492382926.db2.gz VAVQVBDODNHUEB-SZMVWBNQSA-N 1 3 374.485 0.514 20 0 FCADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977442 492389882 /nfs/dbraw/zinc/38/98/82/492389882.db2.gz BJWBRCJGYCHMTN-MSOLQXFVSA-N 1 3 362.518 0.779 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647978422 492390670 /nfs/dbraw/zinc/39/06/70/492390670.db2.gz ROOOSUHJWLVWQC-OKZBNKHCSA-N 1 3 350.507 0.825 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)C(=O)[C@@H]3C)CC2)CC1 ZINC000655009819 492391452 /nfs/dbraw/zinc/39/14/52/492391452.db2.gz ZKJGKHFXYJRUHK-HNNXBMFYSA-N 1 3 350.507 0.872 20 0 FCADHO Cc1cc(N2CCC[C@@H](N3CCN(CC4CC[NH2+]CC4)CC3)C2=O)n(C)n1 ZINC000647991258 492391714 /nfs/dbraw/zinc/39/17/14/492391714.db2.gz RLSMTSVDVCYEPK-GOSISDBHSA-N 1 3 374.533 0.841 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000627826194 492393327 /nfs/dbraw/zinc/39/33/27/492393327.db2.gz QVKXNLVHTBZPKE-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000627826194 492393333 /nfs/dbraw/zinc/39/33/33/492393333.db2.gz QVKXNLVHTBZPKE-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887405 492397671 /nfs/dbraw/zinc/39/76/71/492397671.db2.gz SZJGHUCNVLBFKR-XOYOTBSWSA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1F ZINC000642887405 492397673 /nfs/dbraw/zinc/39/76/73/492397673.db2.gz SZJGHUCNVLBFKR-XOYOTBSWSA-N 1 3 374.460 0.822 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902295 492399286 /nfs/dbraw/zinc/39/92/86/492399286.db2.gz OYJYOMUMBGLMNP-MSOLQXFVSA-N 1 3 358.486 0.978 20 0 FCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)C1 ZINC000642921476 492404983 /nfs/dbraw/zinc/40/49/83/492404983.db2.gz VMETVEWVCFQXRU-ROUUACIJSA-N 1 3 373.501 0.041 20 0 FCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)C1 ZINC000642921476 492404985 /nfs/dbraw/zinc/40/49/85/492404985.db2.gz VMETVEWVCFQXRU-ROUUACIJSA-N 1 3 373.501 0.041 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000642958550 492406649 /nfs/dbraw/zinc/40/66/49/492406649.db2.gz NTZSJXBDDQVLSI-HRCADAONSA-N 1 3 366.506 0.693 20 0 FCADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643014622 492414382 /nfs/dbraw/zinc/41/43/82/492414382.db2.gz LYVIAZQJGFFECB-HRCADAONSA-N 1 3 357.458 0.235 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N(C)Cc1ccccc1 ZINC000621839504 492422479 /nfs/dbraw/zinc/42/24/79/492422479.db2.gz UHTUNBNNRMMVBM-OXFYSEKESA-N 1 3 358.486 0.963 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845682 492426156 /nfs/dbraw/zinc/42/61/56/492426156.db2.gz NQNICEDFZIZREH-IFXJQAMLSA-N 1 3 366.506 0.332 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)o1 ZINC000622026231 492442659 /nfs/dbraw/zinc/44/26/59/492442659.db2.gz HDBFEPSVICHBLK-KXBFYZLASA-N 1 3 362.474 0.818 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)Cc1ccco1 ZINC000622031800 492446212 /nfs/dbraw/zinc/44/62/12/492446212.db2.gz UGVFZJBQSXEAAV-KXBFYZLASA-N 1 3 362.474 0.900 20 0 FCADHO CN(C)CCNC(=O)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635557930 492472860 /nfs/dbraw/zinc/47/28/60/492472860.db2.gz DOBXGSOTQJFRCD-UHFFFAOYSA-N 1 3 350.507 0.779 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643489790 492479719 /nfs/dbraw/zinc/47/97/19/492479719.db2.gz PZBGORSOLYJHJZ-BBWFWOEESA-N 1 3 350.507 0.635 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000643494319 492481640 /nfs/dbraw/zinc/48/16/40/492481640.db2.gz QIUUZQVHILCFEG-ZBFHGGJFSA-N 1 3 366.462 0.053 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000643500566 492482267 /nfs/dbraw/zinc/48/22/67/492482267.db2.gz CDVDLVBYGGHLJP-HRCADAONSA-N 1 3 350.507 0.905 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000643503476 492483548 /nfs/dbraw/zinc/48/35/48/492483548.db2.gz DKHLBUWGRXATCV-CVEARBPZSA-N 1 3 350.507 0.907 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000643503012 492483967 /nfs/dbraw/zinc/48/39/67/492483967.db2.gz YMEZVBDBDBDFFE-OAGGEKHMSA-N 1 3 354.495 0.141 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643531719 492490603 /nfs/dbraw/zinc/49/06/03/492490603.db2.gz ARWBCGPVYHTOTA-KBAYOESNSA-N 1 3 358.486 0.915 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643531923 492492141 /nfs/dbraw/zinc/49/21/41/492492141.db2.gz WYUWGYRYSXGOBH-GUDVDZBRSA-N 1 3 370.497 0.930 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccco1 ZINC000643590317 492501426 /nfs/dbraw/zinc/50/14/26/492501426.db2.gz OHWVFFNSHNVNBH-DOTOQJQBSA-N 1 3 362.474 0.770 20 0 FCADHO [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028579 492521245 /nfs/dbraw/zinc/52/12/45/492521245.db2.gz MPFQHMLVHYXOFO-SJORKVTESA-N 1 3 366.506 0.476 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC000649350638 492543628 /nfs/dbraw/zinc/54/36/28/492543628.db2.gz UTRICFYAXYOOMS-OLMNPRSZSA-N 1 3 362.522 0.174 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354741 492547471 /nfs/dbraw/zinc/54/74/71/492547471.db2.gz IOUZZWZIPNHPFN-DOTOQJQBSA-N 1 3 371.485 0.999 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354741 492547472 /nfs/dbraw/zinc/54/74/72/492547472.db2.gz IOUZZWZIPNHPFN-DOTOQJQBSA-N 1 3 371.485 0.999 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000649365658 492548251 /nfs/dbraw/zinc/54/82/51/492548251.db2.gz IIZWZKYILXKMLE-WCXIOVBPSA-N 1 3 350.507 0.953 20 0 FCADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC000636155871 492557397 /nfs/dbraw/zinc/55/73/97/492557397.db2.gz CWVRIKNRSFCIFU-ZWKOTPCHSA-N 1 3 351.491 0.857 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656150500 492557593 /nfs/dbraw/zinc/55/75/93/492557593.db2.gz VYATUOBEXIBVCH-BZUAXINKSA-N 1 3 351.495 0.765 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656150500 492557594 /nfs/dbraw/zinc/55/75/94/492557594.db2.gz VYATUOBEXIBVCH-BZUAXINKSA-N 1 3 351.495 0.765 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCSC1 ZINC000656299372 492576989 /nfs/dbraw/zinc/57/69/89/492576989.db2.gz RGVHJKHMBUNZJP-VKJFTORMSA-N 1 3 368.547 0.673 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656300834 492577458 /nfs/dbraw/zinc/57/74/58/492577458.db2.gz DLUIRNBYJKAETE-IRXDYDNUSA-N 1 3 366.506 0.347 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623725399 492586650 /nfs/dbraw/zinc/58/66/50/492586650.db2.gz YAWAQFNMSWKMGT-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623725399 492586655 /nfs/dbraw/zinc/58/66/55/492586655.db2.gz YAWAQFNMSWKMGT-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO NC(=O)C1CCN(Cc2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629579484 492656738 /nfs/dbraw/zinc/65/67/38/492656738.db2.gz DJYQYDLIFBHMGF-HXUWFJFHSA-N 1 3 374.529 0.930 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629802772 492680034 /nfs/dbraw/zinc/68/00/34/492680034.db2.gz PTGXWFZTNUQZAW-DGCLKSJQSA-N 1 3 364.412 0.525 20 0 FCADHO CN(C)CCn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000631911138 492877052 /nfs/dbraw/zinc/87/70/52/492877052.db2.gz WSIRPGSPPPVJKY-MSOLQXFVSA-N 1 3 363.506 0.942 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1)[NH+](C)C ZINC000658429150 492887028 /nfs/dbraw/zinc/88/70/28/492887028.db2.gz VVHLRUGTBHDEIM-ZDUSSCGKSA-N 1 3 350.467 0.545 20 0 FCADHO CCCN(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000645305420 492890743 /nfs/dbraw/zinc/89/07/43/492890743.db2.gz RMDIQUGTMFBNCW-HOTGVXAUSA-N 1 3 353.511 0.700 20 0 FCADHO CCCN(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000645305420 492890747 /nfs/dbraw/zinc/89/07/47/492890747.db2.gz RMDIQUGTMFBNCW-HOTGVXAUSA-N 1 3 353.511 0.700 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000638080392 492901590 /nfs/dbraw/zinc/90/15/90/492901590.db2.gz VCQUJJKKFKTOOG-LJQANCHMSA-N 1 3 362.518 0.955 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348461 492913098 /nfs/dbraw/zinc/91/30/98/492913098.db2.gz FGWABOUVCDHGQU-FJIDUMEYSA-N 1 3 352.523 0.757 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632113168 492932863 /nfs/dbraw/zinc/93/28/63/492932863.db2.gz SKPMJTKDVSSYRK-MRXNPFEDSA-N 1 3 372.535 0.041 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C2CCC2)CC1 ZINC000658534800 492934684 /nfs/dbraw/zinc/93/46/84/492934684.db2.gz CYWPXRPIDCNPPZ-UHFFFAOYSA-N 1 3 352.523 0.977 20 0 FCADHO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)CCCN(C)C)CC2)CC1 ZINC000632125674 492935455 /nfs/dbraw/zinc/93/54/55/492935455.db2.gz SRMYWOJQTKNAJK-UHFFFAOYSA-N 1 3 360.568 0.758 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)CC(C)(C)C ZINC000638349560 492939069 /nfs/dbraw/zinc/93/90/69/492939069.db2.gz QCSMXDMBRSLNPR-HZPDHXFCSA-N 1 3 365.522 0.711 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000652463674 492939546 /nfs/dbraw/zinc/93/95/46/492939546.db2.gz PPPLWIGDOKVCIT-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000652463674 492939548 /nfs/dbraw/zinc/93/95/48/492939548.db2.gz PPPLWIGDOKVCIT-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)(O)CN1CCC([NH2+]CCS(=O)(=O)NCc2ccccc2)CC1 ZINC000638437979 492946957 /nfs/dbraw/zinc/94/69/57/492946957.db2.gz RHXYYBRVQZKZFS-UHFFFAOYSA-N 1 3 369.531 0.931 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439459 492947672 /nfs/dbraw/zinc/94/76/72/492947672.db2.gz IDUAOJHSWQMBPF-HZPDHXFCSA-N 1 3 360.506 0.867 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439459 492947676 /nfs/dbraw/zinc/94/76/76/492947676.db2.gz IDUAOJHSWQMBPF-HZPDHXFCSA-N 1 3 360.506 0.867 20 0 FCADHO COCC1(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]CC1 ZINC000638526166 492958835 /nfs/dbraw/zinc/95/88/35/492958835.db2.gz GDXXLCOWZJEVOR-UHFFFAOYSA-N 1 3 362.474 0.933 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1=O ZINC000638562848 492961100 /nfs/dbraw/zinc/96/11/00/492961100.db2.gz ZYJZIXSQTXTZRO-FRRDWIJNSA-N 1 3 364.412 0.382 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949240 492988949 /nfs/dbraw/zinc/98/89/49/492988949.db2.gz ZJUZUDVAKHYKFZ-LUKYLMHMSA-N 1 3 350.507 0.953 20 0 FCADHO CN1CCC(n2cc(NC(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)cn2)CC1 ZINC000638976839 492989722 /nfs/dbraw/zinc/98/97/22/492989722.db2.gz DREYMXDYLPNIAJ-OAHLLOKOSA-N 1 3 358.450 0.918 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)N(C)C1CC1 ZINC000652686262 492990822 /nfs/dbraw/zinc/99/08/22/492990822.db2.gz CNNULBDTUBYOBB-DLTWYDFYSA-N 1 3 366.506 0.330 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652724092 493004069 /nfs/dbraw/zinc/00/40/69/493004069.db2.gz VDMDOLWSGOKSOV-UHFFFAOYSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000658944519 493114545 /nfs/dbraw/zinc/11/45/45/493114545.db2.gz GNTUMQXMGLERRW-INIZCTEOSA-N 1 3 373.501 0.919 20 0 FCADHO NC[C@H]1c2ccccc2CCN1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627234658 493114616 /nfs/dbraw/zinc/11/46/16/493114616.db2.gz KCXPUCRKZCNETN-WBVHZDCISA-N 1 3 355.446 0.580 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633097811 493124050 /nfs/dbraw/zinc/12/40/50/493124050.db2.gz TVJYVKIUPJFLCL-KSZLIROESA-N 1 3 356.470 0.682 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)C2)C1 ZINC000659038111 493128721 /nfs/dbraw/zinc/12/87/21/493128721.db2.gz KBYWMBVQIHVHJK-IBGZPJMESA-N 1 3 350.507 0.873 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)C2)C1 ZINC000659038111 493128723 /nfs/dbraw/zinc/12/87/23/493128723.db2.gz KBYWMBVQIHVHJK-IBGZPJMESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)[C@@H](CNC(=O)Cn1cc(CN2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000640836745 493134606 /nfs/dbraw/zinc/13/46/06/493134606.db2.gz IGBARVFFWDIURE-SFHVURJKSA-N 1 3 371.489 0.102 20 0 FCADHO CS(=O)(=O)CCCC(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000647090748 493161512 /nfs/dbraw/zinc/16/15/12/493161512.db2.gz WENUKTAEHBZYJZ-UHFFFAOYSA-N 1 3 367.515 0.921 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N1CCC(C)CC1 ZINC000627351611 493170577 /nfs/dbraw/zinc/17/05/77/493170577.db2.gz XZJIUSMIHPPFKR-MRXNPFEDSA-N 1 3 356.511 0.293 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC000659318614 493190662 /nfs/dbraw/zinc/19/06/62/493190662.db2.gz RKPZWFXYVFTDDB-OAHLLOKOSA-N 1 3 350.463 0.547 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627392650 493200103 /nfs/dbraw/zinc/20/01/03/493200103.db2.gz BCJYJSAJGJJKSJ-CHWSQXEVSA-N 1 3 366.428 0.820 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666974373 493243136 /nfs/dbraw/zinc/24/31/36/493243136.db2.gz OKNQNTDNCBMBJE-MRXNPFEDSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H](C[NH3+])C1 ZINC000659673976 493244871 /nfs/dbraw/zinc/24/48/71/493244871.db2.gz JTUYWYGEPTXAFL-NJAFHUGGSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C ZINC000659678628 493247000 /nfs/dbraw/zinc/24/70/00/493247000.db2.gz MDUHPLNMBXYWLB-PVAVHDDUSA-N 1 3 350.507 0.824 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000659681830 493249269 /nfs/dbraw/zinc/24/92/69/493249269.db2.gz BLEPSBGMEZDBFN-CQSZACIVSA-N 1 3 356.536 0.578 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N(C)C1CC1 ZINC000659701278 493261304 /nfs/dbraw/zinc/26/13/04/493261304.db2.gz CVXWMBRVAPCTJK-GOEBONIOSA-N 1 3 350.507 0.824 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000659700175 493261472 /nfs/dbraw/zinc/26/14/72/493261472.db2.gz CRLIZGDJOILEDY-YDHLFZDLSA-N 1 3 352.504 0.971 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704417 493263475 /nfs/dbraw/zinc/26/34/75/493263475.db2.gz OUFLVQTZNNLDEB-KRWDZBQOSA-N 1 3 368.522 0.309 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000659708257 493266251 /nfs/dbraw/zinc/26/62/51/493266251.db2.gz NYVRKDYMMUKURQ-CQSZACIVSA-N 1 3 354.495 0.250 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659719963 493270791 /nfs/dbraw/zinc/27/07/91/493270791.db2.gz ZFUSATFXCNNLJP-QGZVFWFLSA-N 1 3 361.490 0.509 20 0 FCADHO NC[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000659721233 493272033 /nfs/dbraw/zinc/27/20/33/493272033.db2.gz YRDWALCJYJHCEP-QGZVFWFLSA-N 1 3 350.507 0.858 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)c(C)c2)CC1 ZINC000667293320 493272619 /nfs/dbraw/zinc/27/26/19/493272619.db2.gz PTSJRYPPEREVKC-UHFFFAOYSA-N 1 3 373.501 0.944 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000659750074 493285336 /nfs/dbraw/zinc/28/53/36/493285336.db2.gz MDUAQRXYBNKZKY-QGZVFWFLSA-N 1 3 360.502 0.878 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000659751724 493286246 /nfs/dbraw/zinc/28/62/46/493286246.db2.gz JEUWRLDUXZOPDP-HNNXBMFYSA-N 1 3 361.490 0.871 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000667538625 493289235 /nfs/dbraw/zinc/28/92/35/493289235.db2.gz JAHPPAHRWYBURO-PBHICJAKSA-N 1 3 360.458 0.776 20 0 FCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCc2n[nH]nc21 ZINC000667680773 493296085 /nfs/dbraw/zinc/29/60/85/493296085.db2.gz QVDDVKIVOFTOET-INIZCTEOSA-N 1 3 369.473 0.948 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795589 493302540 /nfs/dbraw/zinc/30/25/40/493302540.db2.gz HXVDDVADDAYOCO-QGZVFWFLSA-N 1 3 374.489 0.792 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C(C)(C)C[NH+](C)C ZINC000673225236 493304826 /nfs/dbraw/zinc/30/48/26/493304826.db2.gz SLSNKXOTNILORD-OAHLLOKOSA-N 1 3 361.490 0.823 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351073 493320489 /nfs/dbraw/zinc/32/04/89/493320489.db2.gz JGODILIHVIPVHE-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000673351073 493320490 /nfs/dbraw/zinc/32/04/90/493320490.db2.gz JGODILIHVIPVHE-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000673427649 493327945 /nfs/dbraw/zinc/32/79/45/493327945.db2.gz CCLWRANVXGPKHV-DLBZAZTESA-N 1 3 368.522 0.593 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000683877867 493376124 /nfs/dbraw/zinc/37/61/24/493376124.db2.gz RYQHAOOTVQCDPV-GASCZTMLSA-N 1 3 360.458 0.715 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000683877867 493376125 /nfs/dbraw/zinc/37/61/25/493376125.db2.gz RYQHAOOTVQCDPV-GASCZTMLSA-N 1 3 360.458 0.715 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCC1 ZINC000668830400 493417804 /nfs/dbraw/zinc/41/78/04/493417804.db2.gz BESXJVWCJCORHV-KRWDZBQOSA-N 1 3 366.506 0.347 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCC1 ZINC000668830400 493417807 /nfs/dbraw/zinc/41/78/07/493417807.db2.gz BESXJVWCJCORHV-KRWDZBQOSA-N 1 3 366.506 0.347 20 0 FCADHO CCCN1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000661231711 493420181 /nfs/dbraw/zinc/42/01/81/493420181.db2.gz SMHDUAHTBBFPLH-INIZCTEOSA-N 1 3 353.511 0.762 20 0 FCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000675086751 493466064 /nfs/dbraw/zinc/46/60/64/493466064.db2.gz AWCCYTAFHOHCNP-UHFFFAOYSA-N 1 3 368.522 0.545 20 0 FCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000675194229 493472878 /nfs/dbraw/zinc/47/28/78/493472878.db2.gz PEXHQTNQJQLSAI-QGZVFWFLSA-N 1 3 365.522 0.810 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000669251728 493483591 /nfs/dbraw/zinc/48/35/91/493483591.db2.gz YOKNOJRFVCUPDP-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000669251728 493483592 /nfs/dbraw/zinc/48/35/92/493483592.db2.gz YOKNOJRFVCUPDP-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CC(C)(C)n1nnc(CCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000662265557 493501512 /nfs/dbraw/zinc/50/15/12/493501512.db2.gz RALRFCZDYWCBQE-HUUCEWRRSA-N 1 3 363.510 0.551 20 0 FCADHO Cc1ccc(CN2CCCN(C(=O)CNC3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662284911 493502368 /nfs/dbraw/zinc/50/23/68/493502368.db2.gz QOWBIBPSXRDPTJ-UHFFFAOYSA-N 1 3 374.529 0.733 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CNC2(CO)CC[NH2+]CC2)CC1 ZINC000662285946 493502678 /nfs/dbraw/zinc/50/26/78/493502678.db2.gz BNZQVJDAXVAZJA-UHFFFAOYSA-N 1 3 374.529 0.733 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000669452556 493504229 /nfs/dbraw/zinc/50/42/29/493504229.db2.gz SHYDDODJHSZYEL-AEFFLSMTSA-N 1 3 373.501 0.871 20 0 FCADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000662296752 493504437 /nfs/dbraw/zinc/50/44/37/493504437.db2.gz MZMWYEULZQUNEK-GOSISDBHSA-N 1 3 362.518 0.779 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)N3CCN(C)C[C@@H]3CN)CCCC2)CC1 ZINC000669469685 493505305 /nfs/dbraw/zinc/50/53/05/493505305.db2.gz XHFQXHMMCNZHTB-INIZCTEOSA-N 1 3 367.538 0.694 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN(c3ccncc3)CC2)cnn1C ZINC000662354344 493509234 /nfs/dbraw/zinc/50/92/34/493509234.db2.gz DDIBKRVHPQSXCL-ZWKOTPCHSA-N 1 3 354.458 0.775 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662384502 493511723 /nfs/dbraw/zinc/51/17/23/493511723.db2.gz PIGCSKYANNQIOW-UHFFFAOYSA-N 1 3 357.462 0.627 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cnn1C ZINC000662462267 493517721 /nfs/dbraw/zinc/51/77/21/493517721.db2.gz KJKBTPUWJBJZFF-NZSAHSFTSA-N 1 3 374.533 0.270 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662926041 493554387 /nfs/dbraw/zinc/55/43/87/493554387.db2.gz OIFBVPMXQVKUGX-QGZVFWFLSA-N 1 3 361.490 0.702 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662950027 493559636 /nfs/dbraw/zinc/55/96/36/493559636.db2.gz FMQPKBJSSSYQCG-MSOLQXFVSA-N 1 3 358.486 0.582 20 0 FCADHO O=C(CC1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663014908 493566468 /nfs/dbraw/zinc/56/64/68/493566468.db2.gz PMUAGHUBZZAFHJ-INIZCTEOSA-N 1 3 360.506 0.915 20 0 FCADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016683 493566717 /nfs/dbraw/zinc/56/67/17/493566717.db2.gz DTJRFNBWKLDTRK-RYUDHWBXSA-N 1 3 356.421 0.508 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663612952 493603833 /nfs/dbraw/zinc/60/38/33/493603833.db2.gz WGSQQEQXKYRRPN-IBGZPJMESA-N 1 3 359.474 0.635 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000670983747 493620144 /nfs/dbraw/zinc/62/01/44/493620144.db2.gz JJZIWPNCCCHHNQ-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000670983747 493620146 /nfs/dbraw/zinc/62/01/46/493620146.db2.gz JJZIWPNCCCHHNQ-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000670984971 493620592 /nfs/dbraw/zinc/62/05/92/493620592.db2.gz BHSIHPQBQQZPJD-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000670984971 493620593 /nfs/dbraw/zinc/62/05/93/493620593.db2.gz BHSIHPQBQQZPJD-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664003756 493629153 /nfs/dbraw/zinc/62/91/53/493629153.db2.gz SUJJXZNAAZCMLW-INIZCTEOSA-N 1 3 355.527 0.768 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664003756 493629156 /nfs/dbraw/zinc/62/91/56/493629156.db2.gz SUJJXZNAAZCMLW-INIZCTEOSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071374 493629483 /nfs/dbraw/zinc/62/94/83/493629483.db2.gz FZEOUUHECARNPU-GUYCJALGSA-N 1 3 356.536 0.386 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000671071677 493629499 /nfs/dbraw/zinc/62/94/99/493629499.db2.gz GRTBDMFWIZNPIE-KRWDZBQOSA-N 1 3 356.536 0.529 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664066074 493634091 /nfs/dbraw/zinc/63/40/91/493634091.db2.gz QYADGDIJTYUILP-IRXDYDNUSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664066074 493634093 /nfs/dbraw/zinc/63/40/93/493634093.db2.gz QYADGDIJTYUILP-IRXDYDNUSA-N 1 3 354.495 0.338 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108114 493636563 /nfs/dbraw/zinc/63/65/63/493636563.db2.gz VSXVZDZTMCJDFE-HZPDHXFCSA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108114 493636566 /nfs/dbraw/zinc/63/65/66/493636566.db2.gz VSXVZDZTMCJDFE-HZPDHXFCSA-N 1 3 362.474 0.913 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664141318 493639725 /nfs/dbraw/zinc/63/97/25/493639725.db2.gz MSMSTWWYPYXQBS-YVSFHVDLSA-N 1 3 356.511 0.440 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664141318 493639728 /nfs/dbraw/zinc/63/97/28/493639728.db2.gz MSMSTWWYPYXQBS-YVSFHVDLSA-N 1 3 356.511 0.440 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000664311786 493651952 /nfs/dbraw/zinc/65/19/52/493651952.db2.gz SUAIHVXFPNLOPW-INIZCTEOSA-N 1 3 359.540 0.085 20 0 FCADHO COCCc1ccc(OC[C@H](O)CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000665232843 493705563 /nfs/dbraw/zinc/70/55/63/493705563.db2.gz VZHQAIBCXYFTJK-QNDJGXFYSA-N 1 3 352.475 0.957 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000665271272 493707984 /nfs/dbraw/zinc/70/79/84/493707984.db2.gz KNGSOEKUZSDMIA-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665271272 493707985 /nfs/dbraw/zinc/70/79/85/493707985.db2.gz KNGSOEKUZSDMIA-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000672012961 493724956 /nfs/dbraw/zinc/72/49/56/493724956.db2.gz DXLPKMWOQUWYIK-USXIJHARSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000672144302 493737720 /nfs/dbraw/zinc/73/77/20/493737720.db2.gz ZYCGMUUDAXDRTF-UHFFFAOYSA-N 1 3 358.450 0.818 20 0 FCADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000681216636 493751084 /nfs/dbraw/zinc/75/10/84/493751084.db2.gz IFQNZCVTBIXCDD-CGTJXYLNSA-N 1 3 367.538 0.515 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311310 493754776 /nfs/dbraw/zinc/75/47/76/493754776.db2.gz CUISJHPRWQWUSD-WMLDXEAASA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC000666183890 493761042 /nfs/dbraw/zinc/76/10/42/493761042.db2.gz PTTRCQXWGJKVQN-OAHLLOKOSA-N 1 3 350.467 0.820 20 0 FCADHO C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)CN1CCN(C)CC1 ZINC000173919696 533999443 /nfs/dbraw/zinc/99/94/43/533999443.db2.gz UKDGFFRPJLNPGH-HNNXBMFYSA-N 1 3 351.499 0.450 20 0 FCADHO CC1(C)NC(=O)N(CCN2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000173951368 527788833 /nfs/dbraw/zinc/78/88/33/527788833.db2.gz CKXCUSFBYVGVPQ-UHFFFAOYSA-N 1 3 352.479 0.894 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000410845228 527805176 /nfs/dbraw/zinc/80/51/76/527805176.db2.gz QMQVWNMIESDFTK-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000410845228 527805178 /nfs/dbraw/zinc/80/51/78/527805178.db2.gz QMQVWNMIESDFTK-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO CC[NH+](CC)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413043403 528131123 /nfs/dbraw/zinc/13/11/23/528131123.db2.gz WEPCLCPLMHYZCI-UHFFFAOYSA-N 1 3 355.527 0.424 20 0 FCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CCCOCC2)CC1 ZINC000187213604 529146614 /nfs/dbraw/zinc/14/66/14/529146614.db2.gz SAGKLKAPTUJANK-KRWDZBQOSA-N 1 3 355.527 0.282 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000419538518 536542635 /nfs/dbraw/zinc/54/26/35/536542635.db2.gz OZNWWSYYZCBMOC-GOEBONIOSA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419695575 535072088 /nfs/dbraw/zinc/07/20/88/535072088.db2.gz LAHDWQDVRZPFFK-CVEARBPZSA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419698214 535074449 /nfs/dbraw/zinc/07/44/49/535074449.db2.gz PFDUKKFCVNXJBV-LPHOPBHVSA-N 1 3 350.507 0.825 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419143008 535463101 /nfs/dbraw/zinc/46/31/01/535463101.db2.gz YLCDUTMKIBKCHH-UHFFFAOYSA-N 1 3 352.504 0.802 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419156174 535463215 /nfs/dbraw/zinc/46/32/15/535463215.db2.gz VAXWYFXTXXINDP-CQSZACIVSA-N 1 3 352.504 0.802 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423626527 535542397 /nfs/dbraw/zinc/54/23/97/535542397.db2.gz SMOHRMRQQYUKRK-INIZCTEOSA-N 1 3 368.522 0.676 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790532 535595626 /nfs/dbraw/zinc/59/56/26/535595626.db2.gz PPGKLXGWLABERL-HNNXBMFYSA-N 1 3 351.499 0.415 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790532 535595630 /nfs/dbraw/zinc/59/56/30/535595630.db2.gz PPGKLXGWLABERL-HNNXBMFYSA-N 1 3 351.499 0.415 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389429 535669797 /nfs/dbraw/zinc/66/97/97/535669797.db2.gz HOSUERYUTYJNAT-ROUUACIJSA-N 1 3 360.502 0.863 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425675041 535711708 /nfs/dbraw/zinc/71/17/08/535711708.db2.gz DVGQHPWWAHZGKM-FGTMMUONSA-N 1 3 351.539 0.996 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425675041 535711714 /nfs/dbraw/zinc/71/17/14/535711714.db2.gz DVGQHPWWAHZGKM-FGTMMUONSA-N 1 3 351.539 0.996 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415329491 535749686 /nfs/dbraw/zinc/74/96/86/535749686.db2.gz DHNRMEDZTBGHLS-MRXNPFEDSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)c2)CC1 ZINC000415394345 535750827 /nfs/dbraw/zinc/75/08/27/535750827.db2.gz MGQVHWFRCIHGAC-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1=O ZINC000424010945 535877158 /nfs/dbraw/zinc/87/71/58/535877158.db2.gz MBUDLNJKOUGTPX-BHYGNILZSA-N 1 3 362.449 0.489 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419666299 535902756 /nfs/dbraw/zinc/90/27/56/535902756.db2.gz VXKZWYMMENNYRF-AEFFLSMTSA-N 1 3 374.485 0.106 20 0 FCADHO CN(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775938 535940940 /nfs/dbraw/zinc/94/09/40/535940940.db2.gz PVGBYDQWYMNESS-LSDHHAIUSA-N 1 3 352.866 0.927 20 0 FCADHO CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000419848686 535946068 /nfs/dbraw/zinc/94/60/68/535946068.db2.gz WMNOOIKAHWHIPP-KRWDZBQOSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587862 536140580 /nfs/dbraw/zinc/14/05/80/536140580.db2.gz QHNLJIWZMYRMHN-SFHVURJKSA-N 1 3 364.515 0.527 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582085 536141587 /nfs/dbraw/zinc/14/15/87/536141587.db2.gz JXUUNWFVRONQHM-YJBOKZPZSA-N 1 3 368.547 0.531 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000419221466 536369265 /nfs/dbraw/zinc/36/92/65/536369265.db2.gz AQJSBOHGSHRUNE-NXHRZFHOSA-N 1 3 358.486 0.834 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419673301 536780050 /nfs/dbraw/zinc/78/00/50/536780050.db2.gz HCWMZGWOPPXOAU-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419680380 536780487 /nfs/dbraw/zinc/78/04/87/536780487.db2.gz RDLBORKVOPHKCM-INIZCTEOSA-N 1 3 354.495 0.062 20 0 FCADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418804885 536913311 /nfs/dbraw/zinc/91/33/11/536913311.db2.gz ZPBMXNADCCDOBY-SJORKVTESA-N 1 3 350.463 0.976 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000948410431 674377071 /nfs/dbraw/zinc/37/70/71/674377071.db2.gz PKTLMIAIKWCIOL-ZMSDIMECSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000948410431 674377077 /nfs/dbraw/zinc/37/70/77/674377077.db2.gz PKTLMIAIKWCIOL-ZMSDIMECSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000550838429 547110380 /nfs/dbraw/zinc/11/03/80/547110380.db2.gz HITIMYWZQRZKNN-PBHICJAKSA-N 1 3 356.536 0.340 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000550838429 547110383 /nfs/dbraw/zinc/11/03/83/547110383.db2.gz HITIMYWZQRZKNN-PBHICJAKSA-N 1 3 356.536 0.340 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551075449 547124811 /nfs/dbraw/zinc/12/48/11/547124811.db2.gz YISLDLCOFALUPC-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210593 547134487 /nfs/dbraw/zinc/13/44/87/547134487.db2.gz GYDQNDFXIFLMAA-GUYCJALGSA-N 1 3 358.552 0.632 20 0 FCADHO C[C@@H]([NH2+]CC(=O)NCCN1CCCCCC1)C1CCS(=O)(=O)CC1 ZINC000552064707 547185564 /nfs/dbraw/zinc/18/55/64/547185564.db2.gz JMZFHLKFNHXXJH-OAHLLOKOSA-N 1 3 359.536 0.782 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N(C)C1CC1 ZINC000553037940 547249001 /nfs/dbraw/zinc/24/90/01/547249001.db2.gz MLGIRJBDMDFTPW-GOEBONIOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000949197459 674397332 /nfs/dbraw/zinc/39/73/32/674397332.db2.gz SLJPJZHQLZUHKC-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000949197459 674397333 /nfs/dbraw/zinc/39/73/33/674397333.db2.gz SLJPJZHQLZUHKC-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954408244 674496581 /nfs/dbraw/zinc/49/65/81/674496581.db2.gz AICQFPLABIEFQE-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408244 674496582 /nfs/dbraw/zinc/49/65/82/674496582.db2.gz AICQFPLABIEFQE-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000956064751 674517375 /nfs/dbraw/zinc/51/73/75/674517375.db2.gz YPBZMZCLLYXCDC-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000956064751 674517384 /nfs/dbraw/zinc/51/73/84/674517384.db2.gz YPBZMZCLLYXCDC-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000957015503 674533715 /nfs/dbraw/zinc/53/37/15/674533715.db2.gz XLXFDENEWTZKNK-IIDMSEBBSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000957015503 674533716 /nfs/dbraw/zinc/53/37/16/674533716.db2.gz XLXFDENEWTZKNK-IIDMSEBBSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000971566818 663398072 /nfs/dbraw/zinc/39/80/72/663398072.db2.gz JOKZTCANFZANFK-HRCADAONSA-N 1 3 351.495 0.275 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000971566818 663398076 /nfs/dbraw/zinc/39/80/76/663398076.db2.gz JOKZTCANFZANFK-HRCADAONSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891480311 663408800 /nfs/dbraw/zinc/40/88/00/663408800.db2.gz AYIJSFKKDOZBOY-MPGHIAIKSA-N 1 3 351.495 0.513 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891481817 663408872 /nfs/dbraw/zinc/40/88/72/663408872.db2.gz HKKQWOUBTBVXAE-HNNXBMFYSA-N 1 3 353.511 0.890 20 0 FCADHO CN1CCN(CCCCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891579966 663416887 /nfs/dbraw/zinc/41/68/87/663416887.db2.gz QIPVBOLLZGCQTM-KGLIPLIRSA-N 1 3 365.444 0.793 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1)[NH+](C)C ZINC001022355929 663439659 /nfs/dbraw/zinc/43/96/59/663439659.db2.gz SZCIBUZWQAKDCR-HZMVEIRTSA-N 1 3 350.507 0.726 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023377989 663620347 /nfs/dbraw/zinc/62/03/47/663620347.db2.gz ZMTVQHFELLAWRI-BZUAXINKSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023377989 663620348 /nfs/dbraw/zinc/62/03/48/663620348.db2.gz ZMTVQHFELLAWRI-BZUAXINKSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000892651524 664059244 /nfs/dbraw/zinc/05/92/44/664059244.db2.gz ZLLQHGCBUOYTJY-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000892651524 664059245 /nfs/dbraw/zinc/05/92/45/664059245.db2.gz ZLLQHGCBUOYTJY-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973267745 664091889 /nfs/dbraw/zinc/09/18/89/664091889.db2.gz CPLWEYHJMTZEPW-HHARLNAUSA-N 1 3 350.507 0.963 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973267745 664091892 /nfs/dbraw/zinc/09/18/92/664091892.db2.gz CPLWEYHJMTZEPW-HHARLNAUSA-N 1 3 350.507 0.963 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC000975229944 664309452 /nfs/dbraw/zinc/30/94/52/664309452.db2.gz QHUFKIOWOSDLLQ-YYIAUSFCSA-N 1 3 352.523 0.972 20 0 FCADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000895668780 665054654 /nfs/dbraw/zinc/05/46/54/665054654.db2.gz RAQOGVCJDSWGSU-SFHVURJKSA-N 1 3 351.491 0.811 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000911035314 666307408 /nfs/dbraw/zinc/30/74/08/666307408.db2.gz SSXFASWIUMZHQB-UHFFFAOYSA-N 1 3 354.520 0.462 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911557440 666365614 /nfs/dbraw/zinc/36/56/14/666365614.db2.gz OWEVYIFOKZNBOK-HNNXBMFYSA-N 1 3 350.463 0.818 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](O)C[C@@]3(C)CO)CC2)CC1 ZINC000912658026 666465469 /nfs/dbraw/zinc/46/54/69/666465469.db2.gz NILFYIWEUIMKEO-HKUYNNGSSA-N 1 3 353.507 0.527 20 0 FCADHO COC[C@@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500339 666873188 /nfs/dbraw/zinc/87/31/88/666873188.db2.gz KFTUTVBQLKYJSX-QGZVFWFLSA-N 1 3 354.495 0.602 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001002263159 667527730 /nfs/dbraw/zinc/52/77/30/667527730.db2.gz JCVNVJARGMZDNM-BHYGNILZSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC001002263159 667527733 /nfs/dbraw/zinc/52/77/33/667527733.db2.gz JCVNVJARGMZDNM-BHYGNILZSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423379329 667603589 /nfs/dbraw/zinc/60/35/89/667603589.db2.gz XEPWYZJZDOLYTK-SFHVURJKSA-N 1 3 364.515 0.993 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)COc1ccc(F)cc1 ZINC000923346259 667827303 /nfs/dbraw/zinc/82/73/03/667827303.db2.gz QOXQYDFIJSRMJT-JKSUJKDBSA-N 1 3 353.438 0.885 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760481678 667850778 /nfs/dbraw/zinc/85/07/78/667850778.db2.gz CRSMMWJTMKDMSI-UHFFFAOYSA-N 1 3 369.579 0.689 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000739020056 667935326 /nfs/dbraw/zinc/93/53/26/667935326.db2.gz CFADZUQVDTXQIJ-IRXDYDNUSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064829 669360883 /nfs/dbraw/zinc/36/08/83/669360883.db2.gz YVCNIWXTPVGSIR-KKUMJFAQSA-N 1 3 354.495 0.058 20 0 FCADHO CSC1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH+](C)CC1 ZINC000811876807 669777250 /nfs/dbraw/zinc/77/72/50/669777250.db2.gz ZZVZHYXGRGVGRM-LSDHHAIUSA-N 1 3 356.536 0.976 20 0 FCADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644268 669859960 /nfs/dbraw/zinc/85/99/60/669859960.db2.gz RCKQFJGBNURRMT-LSDHHAIUSA-N 1 3 351.882 0.939 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000842014887 670625909 /nfs/dbraw/zinc/62/59/09/670625909.db2.gz GCPPFDWSUAWABL-RDJZCZTQSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937425 672088574 /nfs/dbraw/zinc/08/85/74/672088574.db2.gz FXYCTTIXTCMBOP-JKIFEVAISA-N 1 3 352.458 0.804 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC000862937425 672088576 /nfs/dbraw/zinc/08/85/76/672088576.db2.gz FXYCTTIXTCMBOP-JKIFEVAISA-N 1 3 352.458 0.804 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159511 676051744 /nfs/dbraw/zinc/05/17/44/676051744.db2.gz BHAXKMCUNZMOFP-BMFZPTHFSA-N 1 3 350.507 0.951 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159511 676051745 /nfs/dbraw/zinc/05/17/45/676051745.db2.gz BHAXKMCUNZMOFP-BMFZPTHFSA-N 1 3 350.507 0.951 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001001423556 676071471 /nfs/dbraw/zinc/07/14/71/676071471.db2.gz DGVNXTJXVUGOSK-GVDBMIGSSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001001423556 676071475 /nfs/dbraw/zinc/07/14/75/676071475.db2.gz DGVNXTJXVUGOSK-GVDBMIGSSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001421439 676071572 /nfs/dbraw/zinc/07/15/72/676071572.db2.gz YARQBSPAWKHXGU-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN([C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001421439 676071574 /nfs/dbraw/zinc/07/15/74/676071574.db2.gz YARQBSPAWKHXGU-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000879249470 673107275 /nfs/dbraw/zinc/10/72/75/673107275.db2.gz QTFITSQLMCHQNV-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248665 673107312 /nfs/dbraw/zinc/10/73/12/673107312.db2.gz WQKQEQIJXFZACS-JKSUJKDBSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1CN(CC[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)C[C@@H](C)O1 ZINC000880253442 673183768 /nfs/dbraw/zinc/18/37/68/673183768.db2.gz PSYAJZJLKKYOCF-IAGOWNOFSA-N 1 3 352.523 0.901 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884587420 673464140 /nfs/dbraw/zinc/46/41/40/673464140.db2.gz IJSYQKKFPFPJAG-GOSISDBHSA-N 1 3 356.511 0.294 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884616926 673466278 /nfs/dbraw/zinc/46/62/78/673466278.db2.gz FENKXIMUXJPGQV-QFBILLFUSA-N 1 3 350.507 0.969 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884664148 673470713 /nfs/dbraw/zinc/47/07/13/673470713.db2.gz DTMWVWBOIIYRPX-STQMWFEESA-N 1 3 360.449 0.584 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926129389 673812421 /nfs/dbraw/zinc/81/24/21/673812421.db2.gz DBSJXRDGNPQCOM-AWEZNQCLSA-N 1 3 350.467 0.725 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCN2CCC(C)(C)C2)CCSC1 ZINC000929465356 673957686 /nfs/dbraw/zinc/95/76/86/673957686.db2.gz PFEORMPIFQBBLC-KRWDZBQOSA-N 1 3 356.536 0.388 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@@H+]1C ZINC001011212043 675377409 /nfs/dbraw/zinc/37/74/09/675377409.db2.gz YTNXJSRUINXLEM-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC[N@H+]1C ZINC001011212043 675377411 /nfs/dbraw/zinc/37/74/11/675377411.db2.gz YTNXJSRUINXLEM-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104291974 1169658348 /nfs/dbraw/zinc/65/83/48/1169658348.db2.gz CINNTYWLJIBLTK-OLMNPRSZSA-N 1 3 364.534 0.927 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356189 1170005557 /nfs/dbraw/zinc/00/55/57/1170005557.db2.gz RLYKNFWJUDRQFA-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001022010839 1170385984 /nfs/dbraw/zinc/38/59/84/1170385984.db2.gz ZUDNIZRUNUYKET-USXIJHARSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001022010839 1170385996 /nfs/dbraw/zinc/38/59/96/1170385996.db2.gz ZUDNIZRUNUYKET-USXIJHARSA-N 1 3 359.474 0.886 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673265 1170804291 /nfs/dbraw/zinc/80/42/91/1170804291.db2.gz JATOWBCBKSYGAE-BTAUDXDXSA-N 1 3 363.462 0.046 20 0 FCADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](NCc2nncs2)C1 ZINC001691268303 1171003523 /nfs/dbraw/zinc/00/35/23/1171003523.db2.gz JRVVGRZNDRVMML-QLFBSQMISA-N 1 3 367.519 0.881 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000892267140 1171879122 /nfs/dbraw/zinc/87/91/22/1171879122.db2.gz SFVBOMNXFLXNPU-HNNXBMFYSA-N 1 3 363.506 0.644 20 0 FCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001087219856 1171967131 /nfs/dbraw/zinc/96/71/31/1171967131.db2.gz SADVDHBVOXTGCQ-KBMXLJTQSA-N 1 3 357.462 0.948 20 0 FCADHO O=C(N1CCO[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249682 1172022994 /nfs/dbraw/zinc/02/29/94/1172022994.db2.gz REAOAUVHRMYOCD-OKZBNKHCSA-N 1 3 363.502 0.953 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897544512 1192747534 /nfs/dbraw/zinc/74/75/34/1192747534.db2.gz ABONYHURTABFHV-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897544512 1192747538 /nfs/dbraw/zinc/74/75/38/1192747538.db2.gz ABONYHURTABFHV-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)N(C)C ZINC000972664690 1180214910 /nfs/dbraw/zinc/21/49/10/1180214910.db2.gz KCRQJWBZGVINNZ-KURKYZTESA-N 1 3 364.534 0.974 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21)C1CCC1 ZINC000972738708 1180682223 /nfs/dbraw/zinc/68/22/23/1180682223.db2.gz FMBNQJLPDYFQNM-SUMDDJOVSA-N 1 3 362.518 0.870 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000972846339 1180889977 /nfs/dbraw/zinc/88/99/77/1180889977.db2.gz MQFYOEFUGNOOFN-DJIMGWMZSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000972846339 1180889982 /nfs/dbraw/zinc/88/99/82/1180889982.db2.gz MQFYOEFUGNOOFN-DJIMGWMZSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000972846340 1180890057 /nfs/dbraw/zinc/89/00/57/1180890057.db2.gz MQFYOEFUGNOOFN-HYVNUMGLSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000972846340 1180890059 /nfs/dbraw/zinc/89/00/59/1180890059.db2.gz MQFYOEFUGNOOFN-HYVNUMGLSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@@H]21 ZINC000892519222 1181710365 /nfs/dbraw/zinc/71/03/65/1181710365.db2.gz MZHQRSPSOCXJJK-QAPCUYQASA-N 1 3 369.473 0.962 20 0 FCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)CC[C@@H]21 ZINC000892519222 1181710377 /nfs/dbraw/zinc/71/03/77/1181710377.db2.gz MZHQRSPSOCXJJK-QAPCUYQASA-N 1 3 369.473 0.962 20 0 FCADHO CN(CC[N@H+](C)C1CC1)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892523890 1181731847 /nfs/dbraw/zinc/73/18/47/1181731847.db2.gz GPJQNUUCWDMESA-UHFFFAOYSA-N 1 3 357.462 0.962 20 0 FCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892523890 1181731854 /nfs/dbraw/zinc/73/18/54/1181731854.db2.gz GPJQNUUCWDMESA-UHFFFAOYSA-N 1 3 357.462 0.962 20 0 FCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000892528009 1181741661 /nfs/dbraw/zinc/74/16/61/1181741661.db2.gz AZLRHDFCOOPIAU-QGZVFWFLSA-N 1 3 357.462 0.962 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892788112 1182507411 /nfs/dbraw/zinc/50/74/11/1182507411.db2.gz BJLDWOVTFOJBGF-ZWKOTPCHSA-N 1 3 373.501 0.730 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104809728 1182929215 /nfs/dbraw/zinc/92/92/15/1182929215.db2.gz PWZCBIBLXQBFDA-SJLPKXTDSA-N 1 3 370.538 0.555 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001105064501 1183098299 /nfs/dbraw/zinc/09/82/99/1183098299.db2.gz RYNROEDCEPVVQM-IAGOWNOFSA-N 1 3 368.522 0.260 20 0 FCADHO COCCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243817 1183151260 /nfs/dbraw/zinc/15/12/60/1183151260.db2.gz JCUNPORYHDKCTQ-RHSMWYFYSA-N 1 3 364.494 0.518 20 0 FCADHO COCCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243817 1183151262 /nfs/dbraw/zinc/15/12/62/1183151262.db2.gz JCUNPORYHDKCTQ-RHSMWYFYSA-N 1 3 364.494 0.518 20 0 FCADHO C[C@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481514280 1186214303 /nfs/dbraw/zinc/21/43/03/1186214303.db2.gz VXQPHFHPZKTAEG-UMVBOHGHSA-N 1 3 367.494 0.080 20 0 FCADHO C[C@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001481514280 1186214312 /nfs/dbraw/zinc/21/43/12/1186214312.db2.gz VXQPHFHPZKTAEG-UMVBOHGHSA-N 1 3 367.494 0.080 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCN1CCNC1=O ZINC001087574047 1189609390 /nfs/dbraw/zinc/60/93/90/1189609390.db2.gz PVCHZLUWAYBJCU-IXDOHACOSA-N 1 3 363.506 0.323 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128073 1190899622 /nfs/dbraw/zinc/89/96/22/1190899622.db2.gz QXNPRZINFDZSHV-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128073 1190899624 /nfs/dbraw/zinc/89/96/24/1190899624.db2.gz QXNPRZINFDZSHV-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000988388214 1191205752 /nfs/dbraw/zinc/20/57/52/1191205752.db2.gz MNJWXAPTPGCAKT-HYVNUMGLSA-N 1 3 361.490 0.989 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000988388214 1191205756 /nfs/dbraw/zinc/20/57/56/1191205756.db2.gz MNJWXAPTPGCAKT-HYVNUMGLSA-N 1 3 361.490 0.989 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618897 1191208482 /nfs/dbraw/zinc/20/84/82/1191208482.db2.gz FMJROIADBQTQJD-DLBZAZTESA-N 1 3 366.506 0.794 20 0 FCADHO O=C(CCN1CC[NH2+]CC1)c1ccc2nc(OC[C@H]3CNCCO3)oc2c1 ZINC001218179462 1224145488 /nfs/dbraw/zinc/14/54/88/1224145488.db2.gz RKXGCFWCRAYODT-OAHLLOKOSA-N 1 3 374.441 0.673 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262442 1224150643 /nfs/dbraw/zinc/15/06/43/1224150643.db2.gz LGUGWTCDMMCOEK-UHFFFAOYSA-N 1 3 364.446 0.672 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218510103 1224164967 /nfs/dbraw/zinc/16/49/67/1224164967.db2.gz ISOVUHBJOSIBBP-HNNXBMFYSA-N 1 3 363.462 0.552 20 0 FCADHO C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000550986095 1193824502 /nfs/dbraw/zinc/82/45/02/1193824502.db2.gz MYRIUOQFXPMHOT-HOCLYGCPSA-N 1 3 364.490 0.971 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000551075173 1193832067 /nfs/dbraw/zinc/83/20/67/1193832067.db2.gz SUBSCOMCCXZZKV-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000551075173 1193832071 /nfs/dbraw/zinc/83/20/71/1193832071.db2.gz SUBSCOMCCXZZKV-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105655595 1193859783 /nfs/dbraw/zinc/85/97/83/1193859783.db2.gz JIEJUBDHZLFCEQ-FPAYPSAMSA-N 1 3 364.490 0.955 20 0 FCADHO CN1CCN(c2ncc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)cn2)CC1 ZINC001218580575 1224176897 /nfs/dbraw/zinc/17/68/97/1224176897.db2.gz SBEANYRMWRBOFD-HNNXBMFYSA-N 1 3 359.478 0.041 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792292 1194164574 /nfs/dbraw/zinc/16/45/74/1194164574.db2.gz RJOMSHIBVFALAW-JEWRLFTDSA-N 1 3 363.506 0.465 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)CC[N@H+]1C ZINC000990792292 1194164580 /nfs/dbraw/zinc/16/45/80/1194164580.db2.gz RJOMSHIBVFALAW-JEWRLFTDSA-N 1 3 363.506 0.465 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467632 1194502631 /nfs/dbraw/zinc/50/26/31/1194502631.db2.gz PLJFUVIMSWNAMK-DLBZAZTESA-N 1 3 358.490 0.523 20 0 FCADHO O=C(N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563210 1195219567 /nfs/dbraw/zinc/21/95/67/1195219567.db2.gz DUBDMGGGVRYLEO-KURKYZTESA-N 1 3 365.518 0.840 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127872 1195242264 /nfs/dbraw/zinc/24/22/64/1195242264.db2.gz NBPNOEBZYRCDBO-GUDVDZBRSA-N 1 3 367.534 0.942 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127872 1195242268 /nfs/dbraw/zinc/24/22/68/1195242268.db2.gz NBPNOEBZYRCDBO-GUDVDZBRSA-N 1 3 367.534 0.942 20 0 FCADHO CO[C@H](CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CCC1 ZINC001218969992 1224275679 /nfs/dbraw/zinc/27/56/79/1224275679.db2.gz AMXVLHSGBIBNIJ-RCCFBDPRSA-N 1 3 369.506 0.291 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)cc2C1 ZINC000904509196 1195540142 /nfs/dbraw/zinc/54/01/42/1195540142.db2.gz DORPBMVIYTWPEA-OLMNPRSZSA-N 1 3 359.474 0.961 20 0 FCADHO C[NH+](C)C[C@@H](O)CNC[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347245 1195581626 /nfs/dbraw/zinc/58/16/26/1195581626.db2.gz XKDTVJMBWKRKTO-PKOBYXMFSA-N 1 3 365.474 0.662 20 0 FCADHO CN1CCN(Cc2cccc(NC(=O)C3CN(C)CC[N@H+](C)C3)c2)CC1 ZINC000906402038 1195628099 /nfs/dbraw/zinc/62/80/99/1195628099.db2.gz SKVBWDGUDIAXMW-UHFFFAOYSA-N 1 3 359.518 0.866 20 0 FCADHO CN1CCN(Cc2cccc(NC(=O)C3CN(C)CC[N@@H+](C)C3)c2)CC1 ZINC000906402038 1195628104 /nfs/dbraw/zinc/62/81/04/1195628104.db2.gz SKVBWDGUDIAXMW-UHFFFAOYSA-N 1 3 359.518 0.866 20 0 FCADHO NC(=O)C1CCN(c2ccccc2NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001219088507 1224348610 /nfs/dbraw/zinc/34/86/10/1224348610.db2.gz XEGHWJLWLIFGTD-FOIQADDNSA-N 1 3 371.485 0.526 20 0 FCADHO COC(=O)C1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000593737601 1196651652 /nfs/dbraw/zinc/65/16/52/1196651652.db2.gz PTMSWWJYZDPQEM-ULQDDVLXSA-N 1 3 367.490 0.616 20 0 FCADHO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)on1 ZINC001105945338 1196749947 /nfs/dbraw/zinc/74/99/47/1196749947.db2.gz UAVSOUZMNPLJDR-YUELXQCFSA-N 1 3 363.462 0.700 20 0 FCADHO COC(=O)c1c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccc2c1OC[C@@H]1C[C@H]21 ZINC001219217628 1224391107 /nfs/dbraw/zinc/39/11/07/1224391107.db2.gz NMJZHEXMKBEBSM-DRZSPHRISA-N 1 3 357.410 0.717 20 0 FCADHO COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001219262564 1224407475 /nfs/dbraw/zinc/40/74/75/1224407475.db2.gz ZEDHCINEYYGDFG-OCCSQVGLSA-N 1 3 359.430 0.479 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085308996 1197811600 /nfs/dbraw/zinc/81/16/00/1197811600.db2.gz SNLDGTJNTIFOGZ-BRWVUGGUSA-N 1 3 364.494 0.441 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281874 1197826146 /nfs/dbraw/zinc/82/61/46/1197826146.db2.gz ILUCOVWBRMQXLP-NUJGCVRESA-N 1 3 370.538 0.409 20 0 FCADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357959 1224440307 /nfs/dbraw/zinc/44/03/07/1224440307.db2.gz RLSVFGJDSNILBF-KURKYZTESA-N 1 3 365.449 0.850 20 0 FCADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357959 1224440315 /nfs/dbraw/zinc/44/03/15/1224440315.db2.gz RLSVFGJDSNILBF-KURKYZTESA-N 1 3 365.449 0.850 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339807 1197869982 /nfs/dbraw/zinc/86/99/82/1197869982.db2.gz BBUZUVHWPFDAOY-ZIAGYGMSSA-N 1 3 369.510 0.247 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000993158323 1197903986 /nfs/dbraw/zinc/90/39/86/1197903986.db2.gz ULQODYOYUCSWKE-ZRGWGRIASA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000993158323 1197903991 /nfs/dbraw/zinc/90/39/91/1197903991.db2.gz ULQODYOYUCSWKE-ZRGWGRIASA-N 1 3 359.474 0.601 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1CNC[C@@H](F)C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500507 1224489067 /nfs/dbraw/zinc/48/90/67/1224489067.db2.gz CHZNHSBFICCUHB-LDLUMPKVSA-N 1 3 362.405 0.765 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](F)CCN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501226 1224489240 /nfs/dbraw/zinc/48/92/40/1224489240.db2.gz RRQZPPBDCQCCTD-MWJQBAMBSA-N 1 3 362.405 0.907 20 0 FCADHO NCc1cnnn1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001169312378 1199061146 /nfs/dbraw/zinc/06/11/46/1199061146.db2.gz VZLBSOVIRKKJLJ-UHFFFAOYSA-N 1 3 355.446 0.821 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370736 1199132210 /nfs/dbraw/zinc/13/22/10/1199132210.db2.gz ZPJKXVHFAPDCTI-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129370736 1199132215 /nfs/dbraw/zinc/13/22/15/1199132215.db2.gz ZPJKXVHFAPDCTI-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1COC3(CNC3)CN1)CC21CC[NH2+]CC1 ZINC001219753403 1224595789 /nfs/dbraw/zinc/59/57/89/1224595789.db2.gz HHGPXJFMOAVUFO-QZTJIDSGSA-N 1 3 370.497 0.508 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cn2cccn2)CC1 ZINC001109651035 1200443489 /nfs/dbraw/zinc/44/34/89/1200443489.db2.gz FXVAPLWYBLQJCP-QZWWFDLISA-N 1 3 361.490 0.307 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCc2ncnn21 ZINC001109980158 1200664470 /nfs/dbraw/zinc/66/44/70/1200664470.db2.gz KGUBBVZSMTUVGN-WCVJEAGWSA-N 1 3 362.478 0.065 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000786330041 1200834528 /nfs/dbraw/zinc/83/45/28/1200834528.db2.gz BCRWVKZLKLLAQR-IRXDYDNUSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000786330039 1200835006 /nfs/dbraw/zinc/83/50/06/1200835006.db2.gz BCRWVKZLKLLAQR-DLBZAZTESA-N 1 3 366.506 0.202 20 0 FCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837093 1224646921 /nfs/dbraw/zinc/64/69/21/1224646921.db2.gz HRDGSVDYLUXURY-MNEFBYGVSA-N 1 3 365.449 0.597 20 0 FCADHO COc1ccc(C2(C(=O)N[C@H]3CC[C@@H]4NCCO[C@@H]34)CC[NH2+]CC2)cc1 ZINC001219847378 1224651020 /nfs/dbraw/zinc/65/10/20/1224651020.db2.gz FNIDJWDTPBWLBY-OKZBNKHCSA-N 1 3 359.470 0.952 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CC1 ZINC001219866925 1224661894 /nfs/dbraw/zinc/66/18/94/1224661894.db2.gz FDTNNRFSCGCPRX-SQNIBIBYSA-N 1 3 365.518 0.839 20 0 FCADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001130084079 1201494140 /nfs/dbraw/zinc/49/41/40/1201494140.db2.gz YRAMGCDMSMZDGX-SJORKVTESA-N 1 3 366.510 0.514 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091504 1201497967 /nfs/dbraw/zinc/49/79/67/1201497967.db2.gz XIOPOFVFWLSPGT-CVEARBPZSA-N 1 3 362.478 0.140 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130106984 1201502238 /nfs/dbraw/zinc/50/22/38/1201502238.db2.gz BXXNKUWFCGIPAJ-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[n-]1)[NH+](C)C ZINC001130238063 1201562224 /nfs/dbraw/zinc/56/22/24/1201562224.db2.gz REEUHMHARJRNFG-KKUMJFAQSA-N 1 3 364.494 0.633 20 0 FCADHO CC(C)C[C@H](N)C(=O)NCC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931677 1224687737 /nfs/dbraw/zinc/68/77/37/1224687737.db2.gz WQWSEFQRQCMSTK-INIZCTEOSA-N 1 3 361.490 0.654 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)n3cnc(C[NH3+])cc3=N)cc(=O)oc2c1 ZINC001220020762 1224729603 /nfs/dbraw/zinc/72/96/03/1224729603.db2.gz VASOZMYSLRPXCZ-AWEZNQCLSA-N 1 3 369.381 0.146 20 0 FCADHO CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033474 1224733129 /nfs/dbraw/zinc/73/31/29/1224733129.db2.gz CZBCCVNERCPXIO-LXJOXGFSSA-N 1 3 365.518 0.837 20 0 FCADHO CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033474 1224733134 /nfs/dbraw/zinc/73/31/34/1224733134.db2.gz CZBCCVNERCPXIO-LXJOXGFSSA-N 1 3 365.518 0.837 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607445 1202733911 /nfs/dbraw/zinc/73/39/11/1202733911.db2.gz BBCNYBJZXQMNLG-CGTJXYLNSA-N 1 3 363.506 0.681 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCc2cccnc2)c1 ZINC001130670294 1202751665 /nfs/dbraw/zinc/75/16/65/1202751665.db2.gz WFFQDZFCSURCCS-FUHWJXTLSA-N 1 3 356.474 0.851 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672518 1202752385 /nfs/dbraw/zinc/75/23/85/1202752385.db2.gz RCDASSTXBCBVOI-SOLBZPMBSA-N 1 3 363.506 0.682 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130695276 1202757347 /nfs/dbraw/zinc/75/73/47/1202757347.db2.gz KVUYHCIQTQWJGJ-XYJFISCASA-N 1 3 363.506 0.682 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001130944104 1202827364 /nfs/dbraw/zinc/82/73/64/1202827364.db2.gz VHABMSZJEQSPFS-BRWVUGGUSA-N 1 3 363.506 0.823 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131091662 1202861376 /nfs/dbraw/zinc/86/13/76/1202861376.db2.gz ODKZUXMBGUDGMV-BRWVUGGUSA-N 1 3 363.506 0.682 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808220605 1202876792 /nfs/dbraw/zinc/87/67/92/1202876792.db2.gz KLXSOJZWYOSKGR-GOSISDBHSA-N 1 3 360.502 0.772 20 0 FCADHO Cn1nccc1CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555555 1202913488 /nfs/dbraw/zinc/91/34/88/1202913488.db2.gz LDQNPEANEVKSBS-MJGOQNOKSA-N 1 3 363.506 0.858 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001131561966 1202914447 /nfs/dbraw/zinc/91/44/47/1202914447.db2.gz HSJSYEXGVLYYMC-OGWOLHLISA-N 1 3 366.506 0.202 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131604670 1202918444 /nfs/dbraw/zinc/91/84/44/1202918444.db2.gz AZPYJWGHJAJLBN-NUJGCVRESA-N 1 3 366.506 0.060 20 0 FCADHO CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131604670 1202918449 /nfs/dbraw/zinc/91/84/49/1202918449.db2.gz AZPYJWGHJAJLBN-NUJGCVRESA-N 1 3 366.506 0.060 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131596930 1202919056 /nfs/dbraw/zinc/91/90/56/1202919056.db2.gz BKOGNWANHARWFX-NUJGCVRESA-N 1 3 366.506 0.202 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817926918 1203124514 /nfs/dbraw/zinc/12/45/14/1203124514.db2.gz WRIMCHUZTMGIGC-GOSISDBHSA-N 1 3 360.502 0.830 20 0 FCADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)OCCOCCOCCOCCO2 ZINC001170901031 1203137722 /nfs/dbraw/zinc/13/77/22/1203137722.db2.gz UGWWNZKNNJYSFT-GOSISDBHSA-N 1 3 369.462 0.943 20 0 FCADHO CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c1 ZINC001220120585 1224777494 /nfs/dbraw/zinc/77/74/94/1224777494.db2.gz IIZUXYHNUBAGPW-UGSOOPFHSA-N 1 3 359.430 0.350 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158873 1224791143 /nfs/dbraw/zinc/79/11/43/1224791143.db2.gz JGMZYSGCUSDIKK-YZVOILCLSA-N 1 3 374.489 0.352 20 0 FCADHO O=C(CN1CC[NH2+]CC1)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353241 1224839778 /nfs/dbraw/zinc/83/97/78/1224839778.db2.gz HQNWBCMWVBRZNM-QZTJIDSGSA-N 1 3 374.485 0.467 20 0 FCADHO CC(C)(O)[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354217 1224840022 /nfs/dbraw/zinc/84/00/22/1224840022.db2.gz OXLAGCJZXCPTHJ-OWCLPIDISA-N 1 3 363.458 0.660 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]C[C@@H]2CCOC2)cn1 ZINC001086999646 1204888714 /nfs/dbraw/zinc/88/87/14/1204888714.db2.gz OWJZPXIUAKLBBU-RRQGHBQHSA-N 1 3 358.446 0.306 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087000703 1204889429 /nfs/dbraw/zinc/88/94/29/1204889429.db2.gz KZLWUANLZOPKCK-RCCFBDPRSA-N 1 3 363.506 0.559 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001087061030 1204947885 /nfs/dbraw/zinc/94/78/85/1204947885.db2.gz KMIKDIBJQZJDPC-NXHRZFHOSA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC1CC1 ZINC001087067834 1204956066 /nfs/dbraw/zinc/95/60/66/1204956066.db2.gz XOIOLOWYXZJILI-MOXMWUHRSA-N 1 3 363.502 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccn1CC ZINC001087100490 1204998185 /nfs/dbraw/zinc/99/81/85/1204998185.db2.gz VPEUAWQSFHVJRB-GVDBMIGSSA-N 1 3 363.506 0.808 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccn1CC ZINC001087100490 1204998193 /nfs/dbraw/zinc/99/81/93/1204998193.db2.gz VPEUAWQSFHVJRB-GVDBMIGSSA-N 1 3 363.506 0.808 20 0 FCADHO CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015791 1205114824 /nfs/dbraw/zinc/11/48/24/1205114824.db2.gz WEDGKORQIKXXBA-GUXCAODWSA-N 1 3 362.518 0.729 20 0 FCADHO CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1=O ZINC001092015791 1205114828 /nfs/dbraw/zinc/11/48/28/1205114828.db2.gz WEDGKORQIKXXBA-GUXCAODWSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)N(C)C ZINC001092022591 1205120126 /nfs/dbraw/zinc/12/01/26/1205120126.db2.gz YZKMFZGFJRFGPZ-VCBZYWHSSA-N 1 3 364.490 0.256 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)N(C)C ZINC001092022591 1205120129 /nfs/dbraw/zinc/12/01/29/1205120129.db2.gz YZKMFZGFJRFGPZ-VCBZYWHSSA-N 1 3 364.490 0.256 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198919 1205194769 /nfs/dbraw/zinc/19/47/69/1205194769.db2.gz BUCJUWWVDKCYIQ-MDZRGWNJSA-N 1 3 363.506 0.134 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092198919 1205194774 /nfs/dbraw/zinc/19/47/74/1205194774.db2.gz BUCJUWWVDKCYIQ-MDZRGWNJSA-N 1 3 363.506 0.134 20 0 FCADHO [NH3+]CCNCC(=O)NC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220535974 1224911838 /nfs/dbraw/zinc/91/18/38/1224911838.db2.gz QXKLJBWRXTWODV-FQEVSTJZSA-N 1 3 370.497 0.714 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193819 1206052222 /nfs/dbraw/zinc/05/22/22/1206052222.db2.gz MQTVGIDUZBJGMC-FGTMMUONSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193819 1206052227 /nfs/dbraw/zinc/05/22/27/1206052227.db2.gz MQTVGIDUZBJGMC-FGTMMUONSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093277025 1206069679 /nfs/dbraw/zinc/06/96/79/1206069679.db2.gz ANDVHEWRMGCKCY-KFWWJZLASA-N 1 3 364.490 0.350 20 0 FCADHO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@H]2C)o1 ZINC001093992613 1206165346 /nfs/dbraw/zinc/16/53/46/1206165346.db2.gz XWSRIEDQYVHYJA-BMFZPTHFSA-N 1 3 365.478 0.671 20 0 FCADHO COc1coc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1=O ZINC001094075026 1206179886 /nfs/dbraw/zinc/17/98/86/1206179886.db2.gz WADPMXQIJGSVEE-CHWSQXEVSA-N 1 3 360.414 0.798 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181588603 1206411886 /nfs/dbraw/zinc/41/18/86/1206411886.db2.gz OFLVAXHYVGKFEQ-HPEALNBZSA-N 1 3 373.494 0.071 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181588610 1206411897 /nfs/dbraw/zinc/41/18/97/1206411897.db2.gz OFLVAXHYVGKFEQ-YDVRFCCISA-N 1 3 373.494 0.071 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000774814401 1206474733 /nfs/dbraw/zinc/47/47/33/1206474733.db2.gz HYHIZDLKTQUZNO-JKSUJKDBSA-N 1 3 366.506 0.347 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001189055010 1207498508 /nfs/dbraw/zinc/49/85/08/1207498508.db2.gz MJOVACSUSQHLHL-YQVWRLOYSA-N 1 3 361.486 0.911 20 0 FCADHO COCCOCCN1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189543537 1207565106 /nfs/dbraw/zinc/56/51/06/1207565106.db2.gz FSMIXPMMLVAXHM-FUHWJXTLSA-N 1 3 369.506 0.293 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@H]2CCCc3ccccc32)C[C@H]1O ZINC001197825009 1208201650 /nfs/dbraw/zinc/20/16/50/1208201650.db2.gz AHHDMSIBQBSEDD-CEXWTWQISA-N 1 3 361.486 0.804 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652786 1208276906 /nfs/dbraw/zinc/27/69/06/1208276906.db2.gz BRQZGVNVXUZSPC-GUDVDZBRSA-N 1 3 361.486 0.706 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652786 1208276910 /nfs/dbraw/zinc/27/69/10/1208276910.db2.gz BRQZGVNVXUZSPC-GUDVDZBRSA-N 1 3 361.486 0.706 20 0 FCADHO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN3CCOCC3)C2)cc1 ZINC001198688412 1208283155 /nfs/dbraw/zinc/28/31/55/1208283155.db2.gz FFWZAKBNXLRNPM-QXAKKESOSA-N 1 3 361.486 0.625 20 0 FCADHO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN3CCOCC3)C2)cc1 ZINC001198688412 1208283159 /nfs/dbraw/zinc/28/31/59/1208283159.db2.gz FFWZAKBNXLRNPM-QXAKKESOSA-N 1 3 361.486 0.625 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@H]2CCCc3ccccc32)C[C@@H]1O ZINC001220764132 1225060927 /nfs/dbraw/zinc/06/09/27/1225060927.db2.gz AHHDMSIBQBSEDD-QYZOEREBSA-N 1 3 361.486 0.804 20 0 FCADHO Cc1ccc(CCCN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220768586 1225062869 /nfs/dbraw/zinc/06/28/69/1225062869.db2.gz SKEOXWALKBEFKT-MOPGFXCFSA-N 1 3 363.502 0.667 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OC)N(C)C ZINC001489546791 1208910329 /nfs/dbraw/zinc/91/03/29/1208910329.db2.gz VHPHGDSKILBHOO-QXSJWSMHSA-N 1 3 356.511 0.255 20 0 FCADHO COC(=O)[C@@H](CNC(=O)[C@H](N)CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840543 1225101578 /nfs/dbraw/zinc/10/15/78/1225101578.db2.gz PCPWOBZLDXNJJL-LSDHHAIUSA-N 1 3 362.430 0.616 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)COC1(C)C ZINC001220920627 1225140859 /nfs/dbraw/zinc/14/08/59/1225140859.db2.gz HKAIDFPUJBOSFW-LZWOXQAQSA-N 1 3 366.506 0.820 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)COC1(C)C ZINC001220920627 1225140865 /nfs/dbraw/zinc/14/08/65/1225140865.db2.gz HKAIDFPUJBOSFW-LZWOXQAQSA-N 1 3 366.506 0.820 20 0 FCADHO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220921051 1225140952 /nfs/dbraw/zinc/14/09/52/1225140952.db2.gz XQZCWEPGKUMXNO-CVEARBPZSA-N 1 3 357.458 0.287 20 0 FCADHO O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220921051 1225140955 /nfs/dbraw/zinc/14/09/55/1225140955.db2.gz XQZCWEPGKUMXNO-CVEARBPZSA-N 1 3 357.458 0.287 20 0 FCADHO CC(C)N1CCN(C2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851879592 1209523183 /nfs/dbraw/zinc/52/31/83/1209523183.db2.gz LELGGVLINMYTFF-OAQYLSRUSA-N 1 3 374.529 0.850 20 0 FCADHO NC(=[NH2+])NCCCCC(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001220970988 1225166220 /nfs/dbraw/zinc/16/62/20/1225166220.db2.gz OLWVHILKGJZABK-UHFFFAOYSA-N 1 3 374.489 0.276 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001220970998 1225166302 /nfs/dbraw/zinc/16/63/02/1225166302.db2.gz ORKZDKQCUMKCMH-HZPDHXFCSA-N 1 3 362.449 0.570 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863750567 1209949386 /nfs/dbraw/zinc/94/93/86/1209949386.db2.gz QUYZIDZNIAJRDN-NVXWUHKLSA-N 1 3 361.490 0.700 20 0 FCADHO O=C(NCC1(Cc2ccncc2)CCOCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220996813 1225181350 /nfs/dbraw/zinc/18/13/50/1225181350.db2.gz KYYXCIXFNBSGDX-YLJYHZDGSA-N 1 3 358.486 0.736 20 0 FCADHO C[NH+]1CCC2(CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)CC1 ZINC000879247416 1210475854 /nfs/dbraw/zinc/47/58/54/1210475854.db2.gz COBTYEAHFLOXBU-UHFFFAOYSA-N 1 3 362.518 0.875 20 0 FCADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCNCCC23CCC3)CCO1 ZINC000883661020 1210683494 /nfs/dbraw/zinc/68/34/94/1210683494.db2.gz ZTMMRRUVSALRQI-INIZCTEOSA-N 1 3 366.506 0.300 20 0 FCADHO COc1ccccc1[C@@H](N)CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884011313 1210709442 /nfs/dbraw/zinc/70/94/42/1210709442.db2.gz ZLPYFASWAAUIEK-INIZCTEOSA-N 1 3 355.442 0.930 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884509360 1210742162 /nfs/dbraw/zinc/74/21/62/1210742162.db2.gz DJUSILNHAVZFBY-SQWLQELKSA-N 1 3 359.474 0.671 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577150 1210755623 /nfs/dbraw/zinc/75/56/23/1210755623.db2.gz YPFZELMUCIIFAZ-CVEARBPZSA-N 1 3 366.506 0.109 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884656527 1210773185 /nfs/dbraw/zinc/77/31/85/1210773185.db2.gz KQKVTZPWXAFXEW-OAHLLOKOSA-N 1 3 368.522 0.722 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884669941 1210775912 /nfs/dbraw/zinc/77/59/12/1210775912.db2.gz KRLQFLDQDDMYSZ-SJORKVTESA-N 1 3 367.538 0.106 20 0 FCADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000884693711 1210782701 /nfs/dbraw/zinc/78/27/01/1210782701.db2.gz LLPGMGJZVIGCOI-GOSISDBHSA-N 1 3 358.486 0.835 20 0 FCADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000884706108 1210784282 /nfs/dbraw/zinc/78/42/82/1210784282.db2.gz RXSGIONRZCLRJO-ZBFHGGJFSA-N 1 3 368.522 0.842 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140778 1210811907 /nfs/dbraw/zinc/81/19/07/1210811907.db2.gz YRSOSWZUCZPVPU-INIZCTEOSA-N 1 3 368.522 0.308 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885167680 1210814683 /nfs/dbraw/zinc/81/46/83/1210814683.db2.gz ORSYMDMASDIFID-ZWKOTPCHSA-N 1 3 358.486 0.758 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885167680 1210814684 /nfs/dbraw/zinc/81/46/84/1210814684.db2.gz ORSYMDMASDIFID-ZWKOTPCHSA-N 1 3 358.486 0.758 20 0 FCADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831028 1210986510 /nfs/dbraw/zinc/98/65/10/1210986510.db2.gz PLFYVNFEMCOTLB-WEXBMKDWSA-N 1 3 363.502 0.998 20 0 FCADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831028 1210986512 /nfs/dbraw/zinc/98/65/12/1210986512.db2.gz PLFYVNFEMCOTLB-WEXBMKDWSA-N 1 3 363.502 0.998 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170312 1211187156 /nfs/dbraw/zinc/18/71/56/1211187156.db2.gz UCFSQMXGOJDDPO-IBGZPJMESA-N 1 3 360.506 0.472 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170312 1211187157 /nfs/dbraw/zinc/18/71/57/1211187157.db2.gz UCFSQMXGOJDDPO-IBGZPJMESA-N 1 3 360.506 0.472 20 0 FCADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325808 1211215501 /nfs/dbraw/zinc/21/55/01/1211215501.db2.gz REVNJMKMANAWFH-GGPKGHCWSA-N 1 3 364.534 0.583 20 0 FCADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325808 1211215504 /nfs/dbraw/zinc/21/55/04/1211215504.db2.gz REVNJMKMANAWFH-GGPKGHCWSA-N 1 3 364.534 0.583 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000363477413 1211294519 /nfs/dbraw/zinc/29/45/19/1211294519.db2.gz VUJQKPVOWKLLMA-IAGOWNOFSA-N 1 3 363.506 0.563 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000363477413 1211294522 /nfs/dbraw/zinc/29/45/22/1211294522.db2.gz VUJQKPVOWKLLMA-IAGOWNOFSA-N 1 3 363.506 0.563 20 0 FCADHO O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@H]1C[NH2+]CC12CNC2 ZINC001221312192 1225293682 /nfs/dbraw/zinc/29/36/82/1225293682.db2.gz XOJDUIYLKSCZPD-CYBMUJFWSA-N 1 3 356.382 0.496 20 0 FCADHO COc1ccccc1[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1nnc(C)o1 ZINC001221335877 1225299977 /nfs/dbraw/zinc/29/99/77/1225299977.db2.gz IAGHSUOZZYLIPM-HIFRSBDPSA-N 1 3 357.414 0.401 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)COC1(C)C ZINC001221398479 1225306585 /nfs/dbraw/zinc/30/65/85/1225306585.db2.gz ACFYYCJTYYDVQA-RCBQFDQVSA-N 1 3 360.458 0.128 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)CC[N@@H+]1C ZINC001007524110 1212517076 /nfs/dbraw/zinc/51/70/76/1212517076.db2.gz IMDVDQIWUXFYQE-DZASIIFFSA-N 1 3 359.474 0.790 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)CC[N@H+]1C ZINC001007524110 1212517077 /nfs/dbraw/zinc/51/70/77/1212517077.db2.gz IMDVDQIWUXFYQE-DZASIIFFSA-N 1 3 359.474 0.790 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001111308300 1212537730 /nfs/dbraw/zinc/53/77/30/1212537730.db2.gz MFQYZZHDMCFRMM-XDNAFOTISA-N 1 3 363.506 0.697 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001111308300 1212537733 /nfs/dbraw/zinc/53/77/33/1212537733.db2.gz MFQYZZHDMCFRMM-XDNAFOTISA-N 1 3 363.506 0.697 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000950391001 1212566745 /nfs/dbraw/zinc/56/67/45/1212566745.db2.gz PYCMYDMMGAPMBS-FHLIZLRMSA-N 1 3 362.518 0.776 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221654399 1225420029 /nfs/dbraw/zinc/42/00/29/1225420029.db2.gz IVHISEDVGMBDDF-BRWVUGGUSA-N 1 3 363.506 0.507 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221654399 1225420031 /nfs/dbraw/zinc/42/00/31/1225420031.db2.gz IVHISEDVGMBDDF-BRWVUGGUSA-N 1 3 363.506 0.507 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@@H+]1C ZINC001014306751 1213937399 /nfs/dbraw/zinc/93/73/99/1213937399.db2.gz VKFTUQIJMKYFEO-NVQRDWNXSA-N 1 3 359.474 0.932 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@H+]1C ZINC001014306751 1213937404 /nfs/dbraw/zinc/93/74/04/1213937404.db2.gz VKFTUQIJMKYFEO-NVQRDWNXSA-N 1 3 359.474 0.932 20 0 FCADHO COCCCC[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276370379 1214159489 /nfs/dbraw/zinc/15/94/89/1214159489.db2.gz ZGQNZAHRNLIQFF-HXUWFJFHSA-N 1 3 366.550 0.975 20 0 FCADHO COCCCC[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276370379 1214159491 /nfs/dbraw/zinc/15/94/91/1214159491.db2.gz ZGQNZAHRNLIQFF-HXUWFJFHSA-N 1 3 366.550 0.975 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019070352 1214190243 /nfs/dbraw/zinc/19/02/43/1214190243.db2.gz KEHVXZRVRPRJSD-BRWVUGGUSA-N 1 3 364.534 0.974 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019070352 1214190245 /nfs/dbraw/zinc/19/02/45/1214190245.db2.gz KEHVXZRVRPRJSD-BRWVUGGUSA-N 1 3 364.534 0.974 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)C1 ZINC001019070150 1214190756 /nfs/dbraw/zinc/19/07/56/1214190756.db2.gz ATAYIKUEBBJQIS-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1 ZINC001019070150 1214190759 /nfs/dbraw/zinc/19/07/59/1214190759.db2.gz ATAYIKUEBBJQIS-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)N(C)C ZINC001019112475 1214197656 /nfs/dbraw/zinc/19/76/56/1214197656.db2.gz UCEMTKCXLIJKNK-ZACQAIPSSA-N 1 3 364.534 0.974 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)N(C)C ZINC001019112475 1214197663 /nfs/dbraw/zinc/19/76/63/1214197663.db2.gz UCEMTKCXLIJKNK-ZACQAIPSSA-N 1 3 364.534 0.974 20 0 FCADHO c1cc(CN2CC[NH2+]CC2)cc(CN2CCOC[C@]3(CNCCO3)C2)c1 ZINC001222186347 1225608818 /nfs/dbraw/zinc/60/88/18/1225608818.db2.gz FEYTYXRWPWSHSC-FQEVSTJZSA-N 1 3 360.502 0.283 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@H]4CCN(C)C4=O)CC3)CC2)CC[N@@H+]1C ZINC001000159455 1216013743 /nfs/dbraw/zinc/01/37/43/1216013743.db2.gz AKNXMBRGAHZGHW-OIISXLGYSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@H]4CCN(C)C4=O)CC3)CC2)CC[N@H+]1C ZINC001000159455 1216013749 /nfs/dbraw/zinc/01/37/49/1216013749.db2.gz AKNXMBRGAHZGHW-OIISXLGYSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000827321535 1216586804 /nfs/dbraw/zinc/58/68/04/1216586804.db2.gz QEQKIBYBJLMFEN-DOTOQJQBSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827706337 1216643271 /nfs/dbraw/zinc/64/32/71/1216643271.db2.gz LMIUJXFLOJLZKT-GVDBMIGSSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827706337 1216643275 /nfs/dbraw/zinc/64/32/75/1216643275.db2.gz LMIUJXFLOJLZKT-GVDBMIGSSA-N 1 3 366.506 0.202 20 0 FCADHO O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000900601303 1218011714 /nfs/dbraw/zinc/01/17/14/1218011714.db2.gz MFPZMKOMNJGERD-CSODTCANSA-N 1 3 365.518 0.935 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2CC2)CC[N@@H+]1C ZINC001048527761 1218279976 /nfs/dbraw/zinc/27/99/76/1218279976.db2.gz NGEGGFOHHHVTFL-AGTSVGGPSA-N 1 3 362.518 0.964 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC2CC2)CC[N@H+]1C ZINC001048527761 1218279983 /nfs/dbraw/zinc/27/99/83/1218279983.db2.gz NGEGGFOHHHVTFL-AGTSVGGPSA-N 1 3 362.518 0.964 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000803564424 1218437044 /nfs/dbraw/zinc/43/70/44/1218437044.db2.gz MAROCLHOAKDLJL-IKGGRYGDSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000803564424 1218437048 /nfs/dbraw/zinc/43/70/48/1218437048.db2.gz MAROCLHOAKDLJL-IKGGRYGDSA-N 1 3 366.506 0.202 20 0 FCADHO COC(=O)c1cn([C@@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757605 1218516699 /nfs/dbraw/zinc/51/66/99/1218516699.db2.gz DVSUAIRUQHHLQW-HUUCEWRRSA-N 1 3 363.462 0.860 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000826882997 1218910244 /nfs/dbraw/zinc/91/02/44/1218910244.db2.gz QSCQGLHKBRKOLL-IAGOWNOFSA-N 1 3 366.506 0.347 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800208 1225854599 /nfs/dbraw/zinc/85/45/99/1225854599.db2.gz HXADMSPMTQMUNS-NUJGCVRESA-N 1 3 368.522 0.496 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804049239 1219102222 /nfs/dbraw/zinc/10/22/22/1219102222.db2.gz CAQCTDQGYQBSKY-DLBZAZTESA-N 1 3 366.506 0.156 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000804058952 1219112684 /nfs/dbraw/zinc/11/26/84/1219112684.db2.gz HAVPZHMLZFKBSI-HOTGVXAUSA-N 1 3 366.506 0.204 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059675 1219114054 /nfs/dbraw/zinc/11/40/54/1219114054.db2.gz JRSASMHRRDQKBL-CVEARBPZSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804059675 1219114056 /nfs/dbraw/zinc/11/40/56/1219114056.db2.gz JRSASMHRRDQKBL-CVEARBPZSA-N 1 3 366.506 0.299 20 0 FCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070183559 1219276609 /nfs/dbraw/zinc/27/66/09/1219276609.db2.gz MKLIWBXSSVCDMG-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070183559 1219276611 /nfs/dbraw/zinc/27/66/11/1219276611.db2.gz MKLIWBXSSVCDMG-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO C[NH+]1CCC(CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC1 ZINC001071091885 1219604362 /nfs/dbraw/zinc/60/43/62/1219604362.db2.gz ZHIYKJFBVKQQLZ-APWZRJJASA-N 1 3 366.506 0.189 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CCC2=O)C3)CC[N@@H+]1C ZINC001072752529 1219621713 /nfs/dbraw/zinc/62/17/13/1219621713.db2.gz OFHWPNWMVYYAFU-HUUCEWRRSA-N 1 3 362.474 0.010 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCN2C(=O)CCC2=O)C3)CC[N@H+]1C ZINC001072752529 1219621716 /nfs/dbraw/zinc/62/17/16/1219621716.db2.gz OFHWPNWMVYYAFU-HUUCEWRRSA-N 1 3 362.474 0.010 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001228260384 1225905778 /nfs/dbraw/zinc/90/57/78/1225905778.db2.gz AGQXHGKQGUDUPF-BRWVUGGUSA-N 1 3 368.522 0.640 20 0 FCADHO CCCN(C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074603531 1219702173 /nfs/dbraw/zinc/70/21/73/1219702173.db2.gz NFVONTKJOHFOBI-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603531 1219702177 /nfs/dbraw/zinc/70/21/77/1219702177.db2.gz NFVONTKJOHFOBI-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354670 1225914688 /nfs/dbraw/zinc/91/46/88/1225914688.db2.gz ALILVWCYYDKZKB-IAGOWNOFSA-N 1 3 370.538 0.886 20 0 FCADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1)N1CCCC1 ZINC001099473428 1220008075 /nfs/dbraw/zinc/00/80/75/1220008075.db2.gz BLCZQAXSRMIQQT-FTRWYGJKSA-N 1 3 362.518 0.968 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001228661787 1225941621 /nfs/dbraw/zinc/94/16/21/1225941621.db2.gz XLRKWKUVZWGAAT-HZMVEIRTSA-N 1 3 368.522 0.327 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001101342733 1220295112 /nfs/dbraw/zinc/29/51/12/1220295112.db2.gz KTQBQZNDEMIFFA-QAPCUYQASA-N 1 3 363.506 0.134 20 0 FCADHO CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375531 1220308764 /nfs/dbraw/zinc/30/87/64/1220308764.db2.gz XSLDSJDNSMMRTN-AYBZRNKSSA-N 1 3 364.490 0.766 20 0 FCADHO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375531 1220308765 /nfs/dbraw/zinc/30/87/65/1220308765.db2.gz XSLDSJDNSMMRTN-AYBZRNKSSA-N 1 3 364.490 0.766 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101399960 1220324558 /nfs/dbraw/zinc/32/45/58/1220324558.db2.gz ADRMYZWWZNWRDS-APWZRJJASA-N 1 3 367.538 0.816 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101399960 1220324562 /nfs/dbraw/zinc/32/45/62/1220324562.db2.gz ADRMYZWWZNWRDS-APWZRJJASA-N 1 3 367.538 0.816 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399990 1220324613 /nfs/dbraw/zinc/32/46/13/1220324613.db2.gz AZIVJDFRZPQGGI-GJYPPUQNSA-N 1 3 360.506 0.888 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399990 1220324615 /nfs/dbraw/zinc/32/46/15/1220324615.db2.gz AZIVJDFRZPQGGI-GJYPPUQNSA-N 1 3 360.506 0.888 20 0 FCADHO Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102369762 1220595321 /nfs/dbraw/zinc/59/53/21/1220595321.db2.gz GOJDCYLOIZGNBI-IIDMSEBBSA-N 1 3 362.522 0.921 20 0 FCADHO Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102369762 1220595327 /nfs/dbraw/zinc/59/53/27/1220595327.db2.gz GOJDCYLOIZGNBI-IIDMSEBBSA-N 1 3 362.522 0.921 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375544 1220600474 /nfs/dbraw/zinc/60/04/74/1220600474.db2.gz PCTWRTOGGRRPFX-RBSFLKMASA-N 1 3 364.490 0.208 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375544 1220600479 /nfs/dbraw/zinc/60/04/79/1220600479.db2.gz PCTWRTOGGRRPFX-RBSFLKMASA-N 1 3 364.490 0.208 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375543 1220600560 /nfs/dbraw/zinc/60/05/60/1220600560.db2.gz PCTWRTOGGRRPFX-KFWWJZLASA-N 1 3 364.490 0.208 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375543 1220600562 /nfs/dbraw/zinc/60/05/62/1220600562.db2.gz PCTWRTOGGRRPFX-KFWWJZLASA-N 1 3 364.490 0.208 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497181 1220657709 /nfs/dbraw/zinc/65/77/09/1220657709.db2.gz FALHLNLAVFLUHQ-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497181 1220657712 /nfs/dbraw/zinc/65/77/12/1220657712.db2.gz FALHLNLAVFLUHQ-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO COc1ncccc1CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511135 1220670340 /nfs/dbraw/zinc/67/03/40/1220670340.db2.gz KTVAHFAZDSSJAW-NVXWUHKLSA-N 1 3 364.490 0.853 20 0 FCADHO C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514059 1220673803 /nfs/dbraw/zinc/67/38/03/1220673803.db2.gz LFYAADIJDNXEQH-BZUAXINKSA-N 1 3 370.538 0.552 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102531916 1220684366 /nfs/dbraw/zinc/68/43/66/1220684366.db2.gz LQMYJTHSDORSCF-FVQBIDKESA-N 1 3 361.490 0.861 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102531916 1220684369 /nfs/dbraw/zinc/68/43/69/1220684369.db2.gz LQMYJTHSDORSCF-FVQBIDKESA-N 1 3 361.490 0.861 20 0 FCADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1C ZINC001102580833 1220702650 /nfs/dbraw/zinc/70/26/50/1220702650.db2.gz NKBQUJBQSYIRTC-IXDOHACOSA-N 1 3 363.506 0.573 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580833 1220702658 /nfs/dbraw/zinc/70/26/58/1220702658.db2.gz NKBQUJBQSYIRTC-IXDOHACOSA-N 1 3 363.506 0.573 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580833 1220702663 /nfs/dbraw/zinc/70/26/63/1220702663.db2.gz NKBQUJBQSYIRTC-IXDOHACOSA-N 1 3 363.506 0.573 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436314 1220882334 /nfs/dbraw/zinc/88/23/34/1220882334.db2.gz SVNIUZRIRHHKOE-LZLYRXPVSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436314 1220882335 /nfs/dbraw/zinc/88/23/35/1220882335.db2.gz SVNIUZRIRHHKOE-LZLYRXPVSA-N 1 3 364.534 0.929 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C)N(C)C ZINC001103445136 1220884895 /nfs/dbraw/zinc/88/48/95/1220884895.db2.gz ZOXBXHXFWPZUDJ-ZACQAIPSSA-N 1 3 370.538 0.554 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C)N(C)C ZINC001103445136 1220884899 /nfs/dbraw/zinc/88/48/99/1220884899.db2.gz ZOXBXHXFWPZUDJ-ZACQAIPSSA-N 1 3 370.538 0.554 20 0 FCADHO Cc1cnc(CN2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)cn1 ZINC001103643138 1220925494 /nfs/dbraw/zinc/92/54/94/1220925494.db2.gz FBNWPRWPODOBMM-NVXWUHKLSA-N 1 3 363.506 0.937 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001103663567 1220933408 /nfs/dbraw/zinc/93/34/08/1220933408.db2.gz IBEIHPKRGJJROT-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001103663567 1220933415 /nfs/dbraw/zinc/93/34/15/1220933415.db2.gz IBEIHPKRGJJROT-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752335 1220964759 /nfs/dbraw/zinc/96/47/59/1220964759.db2.gz ABDBWANZEZSKQM-HUUCEWRRSA-N 1 3 367.494 0.132 20 0 FCADHO CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001103999729 1220996478 /nfs/dbraw/zinc/99/64/78/1220996478.db2.gz JPZLEVUDZUGJKC-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001103999868 1220997146 /nfs/dbraw/zinc/99/71/46/1220997146.db2.gz NIHVTOLRCLDGJP-BRWVUGGUSA-N 1 3 366.506 0.014 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111951197 1221182753 /nfs/dbraw/zinc/18/27/53/1221182753.db2.gz XJYINKCURAAWFT-LPHOPBHVSA-N 1 3 365.522 0.714 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111951197 1221182755 /nfs/dbraw/zinc/18/27/55/1221182755.db2.gz XJYINKCURAAWFT-LPHOPBHVSA-N 1 3 365.522 0.714 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118678844 1221818295 /nfs/dbraw/zinc/81/82/95/1221818295.db2.gz RVLIQIMJNLDQOV-IRXDYDNUSA-N 1 3 364.490 0.053 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118678844 1221818297 /nfs/dbraw/zinc/81/82/97/1221818297.db2.gz RVLIQIMJNLDQOV-IRXDYDNUSA-N 1 3 364.490 0.053 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001230284502 1226071932 /nfs/dbraw/zinc/07/19/32/1226071932.db2.gz IHOVMBNAAMFZNU-GVDBMIGSSA-N 1 3 368.522 0.591 20 0 FCADHO CN1CCN(C2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC2)CC1 ZINC001120394710 1222077476 /nfs/dbraw/zinc/07/74/76/1222077476.db2.gz QFPSIWQQJZWJMY-UHFFFAOYSA-N 1 3 359.474 0.322 20 0 FCADHO COc1cc(NC(=O)CCNC[C@@]2(O)CC[N@H+](C)C2)cc(OC)c1OC ZINC001120503642 1222096463 /nfs/dbraw/zinc/09/64/63/1222096463.db2.gz VRWINWZSVAZRBR-SFHVURJKSA-N 1 3 367.446 0.697 20 0 FCADHO COc1cc(NC(=O)CCNC[C@@]2(O)CC[N@@H+](C)C2)cc(OC)c1OC ZINC001120503642 1222096466 /nfs/dbraw/zinc/09/64/66/1222096466.db2.gz VRWINWZSVAZRBR-SFHVURJKSA-N 1 3 367.446 0.697 20 0 FCADHO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N3CCN(C)CC3)nc2)O1 ZINC001232366267 1226148289 /nfs/dbraw/zinc/14/82/89/1226148289.db2.gz YIBIVEWCQRCNJP-KURKYZTESA-N 1 3 373.501 0.653 20 0 FCADHO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N3CC[NH+](C)CC3)nc2)O1 ZINC001232366267 1226148292 /nfs/dbraw/zinc/14/82/92/1226148292.db2.gz YIBIVEWCQRCNJP-KURKYZTESA-N 1 3 373.501 0.653 20 0 FCADHO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N3CCN(C)CC3)nc2)O1 ZINC001232366267 1226148293 /nfs/dbraw/zinc/14/82/93/1226148293.db2.gz YIBIVEWCQRCNJP-KURKYZTESA-N 1 3 373.501 0.653 20 0 FCADHO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(N3CCN(C)CC3)nc2)O1 ZINC001232366267 1226148298 /nfs/dbraw/zinc/14/82/98/1226148298.db2.gz YIBIVEWCQRCNJP-KURKYZTESA-N 1 3 373.501 0.653 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000841149455 1222809921 /nfs/dbraw/zinc/80/99/21/1222809921.db2.gz KSWNSKAVMSOOQN-UHFFFAOYSA-N 1 3 373.501 0.964 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841170331 1222811871 /nfs/dbraw/zinc/81/18/71/1222811871.db2.gz UOIYESCEBGKOTI-INIZCTEOSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000841233806 1222815504 /nfs/dbraw/zinc/81/55/04/1222815504.db2.gz HTABJCMNLUXYCV-HXUWFJFHSA-N 1 3 373.501 0.964 20 0 FCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842164671 1222838155 /nfs/dbraw/zinc/83/81/55/1222838155.db2.gz MGYRKXULOWAKRO-ZWKOTPCHSA-N 1 3 374.485 0.343 20 0 FCADHO C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4CNCCO4)n3)cn2)CC1 ZINC000843206689 1222860430 /nfs/dbraw/zinc/86/04/30/1222860430.db2.gz DIDMXGMZSDFVTE-OAHLLOKOSA-N 1 3 358.446 0.804 20 0 FCADHO C[N@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4CNCCO4)n3)cn2)CC1 ZINC000843206689 1222860431 /nfs/dbraw/zinc/86/04/31/1222860431.db2.gz DIDMXGMZSDFVTE-OAHLLOKOSA-N 1 3 358.446 0.804 20 0 FCADHO C[NH+]1CCC(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)CC1 ZINC001143317613 1222877708 /nfs/dbraw/zinc/87/77/08/1222877708.db2.gz ZGYIYXMBEONBKL-UHFFFAOYSA-N 1 3 358.486 0.965 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001153507069 1222978330 /nfs/dbraw/zinc/97/83/30/1222978330.db2.gz LHPNUSKURRMDRZ-QLFBSQMISA-N 1 3 367.494 0.095 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001153507069 1222978335 /nfs/dbraw/zinc/97/83/35/1222978335.db2.gz LHPNUSKURRMDRZ-QLFBSQMISA-N 1 3 367.494 0.095 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615428 1223079544 /nfs/dbraw/zinc/07/95/44/1223079544.db2.gz LHONUXALHPIXBT-UWVAXJGDSA-N 1 3 373.545 0.858 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159792 1223090352 /nfs/dbraw/zinc/09/03/52/1223090352.db2.gz CFTJXGOASBSDGA-KBXCAEBGSA-N 1 3 360.462 0.059 20 0 FCADHO NCc1cc(N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)ncn1 ZINC001158216648 1223091224 /nfs/dbraw/zinc/09/12/24/1223091224.db2.gz NNFKOWXPRSGYRK-UHFFFAOYSA-N 1 3 374.470 0.886 20 0 FCADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260833 1223092529 /nfs/dbraw/zinc/09/25/29/1223092529.db2.gz IEGNLVYBFJALCQ-RYUDHWBXSA-N 1 3 372.395 0.630 20 0 FCADHO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@]45C[NH2+]C[C@H]4CNCC5)C[C@H]3O2)n1 ZINC001158692504 1223104875 /nfs/dbraw/zinc/10/48/75/1223104875.db2.gz GFBYUDZWAAHKOU-CGSPGFDNSA-N 1 3 361.446 0.256 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759543 1223107382 /nfs/dbraw/zinc/10/73/82/1223107382.db2.gz QBZDMNGIRDURQN-OAHLLOKOSA-N 1 3 356.474 0.247 20 0 FCADHO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](N)Cc1cccc(O)c1)CC2 ZINC001158890949 1223112480 /nfs/dbraw/zinc/11/24/80/1223112480.db2.gz QXPWFDJRFKONQY-QGZVFWFLSA-N 1 3 374.485 0.465 20 0 FCADHO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](N)Cc1cccc(O)c1)CC2 ZINC001158890949 1223112482 /nfs/dbraw/zinc/11/24/82/1223112482.db2.gz QXPWFDJRFKONQY-QGZVFWFLSA-N 1 3 374.485 0.465 20 0 FCADHO CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001158957899 1223113536 /nfs/dbraw/zinc/11/35/36/1223113536.db2.gz AYIMSWHJWXNUMW-OAHLLOKOSA-N 1 3 363.462 0.367 20 0 FCADHO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001159125799 1223117706 /nfs/dbraw/zinc/11/77/06/1223117706.db2.gz ITQAWVCZLRSJET-HOCLYGCPSA-N 1 3 364.494 0.482 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC001159437019 1223127341 /nfs/dbraw/zinc/12/73/41/1223127341.db2.gz QTTMNLQHPSPUJN-INIZCTEOSA-N 1 3 369.444 0.952 20 0 FCADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CC(F)F)CCC2 ZINC001159481367 1223127795 /nfs/dbraw/zinc/12/77/95/1223127795.db2.gz MPVNDRMRLKWTCP-ZDUSSCGKSA-N 1 3 371.432 0.798 20 0 FCADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CC(F)F)CCC2 ZINC001159481367 1223127797 /nfs/dbraw/zinc/12/77/97/1223127797.db2.gz MPVNDRMRLKWTCP-ZDUSSCGKSA-N 1 3 371.432 0.798 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677013 1223133545 /nfs/dbraw/zinc/13/35/45/1223133545.db2.gz AZRMDQAKFHFIKL-INIZCTEOSA-N 1 3 361.490 0.736 20 0 FCADHO N[C@H](C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799689 1223137094 /nfs/dbraw/zinc/13/70/94/1223137094.db2.gz SWCRFFBKVDFBGY-YOEHRIQHSA-N 1 3 357.462 0.065 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001160155820 1223147394 /nfs/dbraw/zinc/14/73/94/1223147394.db2.gz LREPTMZHVWLYHP-KRWDZBQOSA-N 1 3 358.486 0.924 20 0 FCADHO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160271711 1223152867 /nfs/dbraw/zinc/15/28/67/1223152867.db2.gz XBOHLGYAQWRGAY-HOTGVXAUSA-N 1 3 368.522 0.566 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356581 1223156749 /nfs/dbraw/zinc/15/67/49/1223156749.db2.gz DEXUJKDKDFVUIW-KSSFIOAISA-N 1 3 364.446 0.179 20 0 FCADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160413482 1223158049 /nfs/dbraw/zinc/15/80/49/1223158049.db2.gz ZGLUHZCOPOKDOL-OWCLPIDISA-N 1 3 372.469 0.827 20 0 FCADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160413482 1223158050 /nfs/dbraw/zinc/15/80/50/1223158050.db2.gz ZGLUHZCOPOKDOL-OWCLPIDISA-N 1 3 372.469 0.827 20 0 FCADHO O=C(N1CCc2nn(-c3ccccc3)cc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160834031 1223176681 /nfs/dbraw/zinc/17/66/81/1223176681.db2.gz VTYNLKFOBPCHDY-OXQOHEQNSA-N 1 3 351.454 0.956 20 0 FCADHO O=C(Cc1ccccc1)N1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160939936 1223181267 /nfs/dbraw/zinc/18/12/67/1223181267.db2.gz IBHBYCPXSZPSJP-WIYYLYMNSA-N 1 3 370.497 0.489 20 0 FCADHO O=C(NC1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1)c1cccc(F)c1 ZINC001161253107 1223193010 /nfs/dbraw/zinc/19/30/10/1223193010.db2.gz RTOYFUCWTUOZKB-INIZCTEOSA-N 1 3 360.433 0.356 20 0 FCADHO COc1cc(N(C(=O)[C@@H](N)Cc2cncn2C)C2CC[NH2+]CC2)ccn1 ZINC001161387102 1223197778 /nfs/dbraw/zinc/19/77/78/1223197778.db2.gz ZXNLUWBSLAUZQX-INIZCTEOSA-N 1 3 358.446 0.479 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cc1ccc(C)cc1C)CC2 ZINC001161479962 1223200668 /nfs/dbraw/zinc/20/06/68/1223200668.db2.gz RGEJMXDXBGUWED-ABSDTBQOSA-N 1 3 359.470 0.927 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2CCC3(CC2)[NH2+]CCc2ccccc23)C1=O ZINC001161584739 1223205106 /nfs/dbraw/zinc/20/51/06/1223205106.db2.gz LXKCAHJEFJODHR-SFHVURJKSA-N 1 3 370.497 0.990 20 0 FCADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001161572429 1223205114 /nfs/dbraw/zinc/20/51/14/1223205114.db2.gz NWASEPUTPUAURS-MRXNPFEDSA-N 1 3 358.442 0.627 20 0 FCADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001161572429 1223205117 /nfs/dbraw/zinc/20/51/17/1223205117.db2.gz NWASEPUTPUAURS-MRXNPFEDSA-N 1 3 358.442 0.627 20 0 FCADHO COCc1cc(NCCCN2CCN(C)CC2)nc(-c2ccnc(C)n2)n1 ZINC001161706143 1223207394 /nfs/dbraw/zinc/20/73/94/1223207394.db2.gz TWPRRDXMGRUORE-UHFFFAOYSA-N 1 3 371.489 0.860 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001162537586 1223217989 /nfs/dbraw/zinc/21/79/89/1223217989.db2.gz ORSKRWCFNYRTDL-GFCCVEGCSA-N 1 3 355.402 0.975 20 0 FCADHO C[C@H]1CCCN1C(=O)c1nn(-c2cc3c(nn2)CC[NH2+]C3)c2c1CNCC2 ZINC001165935153 1223261869 /nfs/dbraw/zinc/26/18/69/1223261869.db2.gz BFZUWVJJNIUDPP-LBPRGKRZSA-N 1 3 367.457 0.578 20 0 FCADHO c1cncc(CN2CCOC[C@@]3(CN(CC4CC[NH2+]CC4)CCO3)C2)c1 ZINC001207437034 1223446669 /nfs/dbraw/zinc/44/66/69/1223446669.db2.gz OKTRMMDJJHHJIH-FQEVSTJZSA-N 1 3 360.502 0.984 20 0 FCADHO O=C1N(CCN2CCOCC2)CC[C@@]12CCN(CC[NH+]1CCCCC1)C2 ZINC001276639869 1223617431 /nfs/dbraw/zinc/61/74/31/1223617431.db2.gz RTLLFRHOZSGAGU-HXUWFJFHSA-N 1 3 364.534 0.729 20 0 FCADHO Nc1cc[nH+]cc1CN1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734047 1223645765 /nfs/dbraw/zinc/64/57/65/1223645765.db2.gz KUXKSOFANPRDDQ-HKUYNNGSSA-N 1 3 360.458 0.724 20 0 FCADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684804 1223693553 /nfs/dbraw/zinc/69/35/53/1223693553.db2.gz FCPNSPQHIFUZEJ-JXFKEZNVSA-N 1 3 359.470 0.954 20 0 FCADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684804 1223693557 /nfs/dbraw/zinc/69/35/57/1223693557.db2.gz FCPNSPQHIFUZEJ-JXFKEZNVSA-N 1 3 359.470 0.954 20 0 FCADHO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001211054167 1223722462 /nfs/dbraw/zinc/72/24/62/1223722462.db2.gz IPYYYQFDHTUSBX-RVKKMQEKSA-N 1 3 363.506 0.633 20 0 FCADHO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001211054167 1223722464 /nfs/dbraw/zinc/72/24/64/1223722464.db2.gz IPYYYQFDHTUSBX-RVKKMQEKSA-N 1 3 363.506 0.633 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCCC1 ZINC001213730173 1223840012 /nfs/dbraw/zinc/84/00/12/1223840012.db2.gz HBYSVODCLSQNBR-FGTMMUONSA-N 1 3 371.522 0.585 20 0 FCADHO CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863070 1223863787 /nfs/dbraw/zinc/86/37/87/1223863787.db2.gz BROOLFVVONBIDR-KZNAEPCWSA-N 1 3 371.522 0.587 20 0 FCADHO CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863070 1223863788 /nfs/dbraw/zinc/86/37/88/1223863788.db2.gz BROOLFVVONBIDR-KZNAEPCWSA-N 1 3 371.522 0.587 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001214646421 1223929241 /nfs/dbraw/zinc/92/92/41/1223929241.db2.gz RWOLSGQNFOVSSU-FHLIZLRMSA-N 1 3 362.518 0.633 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214849971 1223948156 /nfs/dbraw/zinc/94/81/56/1223948156.db2.gz MCILYBSJIQPFKP-OIISXLGYSA-N 1 3 366.506 0.202 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214849971 1223948158 /nfs/dbraw/zinc/94/81/58/1223948158.db2.gz MCILYBSJIQPFKP-OIISXLGYSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214855662 1223948507 /nfs/dbraw/zinc/94/85/07/1223948507.db2.gz KJGCNWFRSBSEKQ-BMFZPTHFSA-N 1 3 367.538 0.861 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001214998532 1223962246 /nfs/dbraw/zinc/96/22/46/1223962246.db2.gz YDJQSKIKEZCXQC-ZIAGYGMSSA-N 1 3 367.494 0.095 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1NCC(=O)N1CCC1 ZINC001215015065 1223964435 /nfs/dbraw/zinc/96/44/35/1223964435.db2.gz DZTNOBZPJGYAOM-NVXWUHKLSA-N 1 3 359.474 0.577 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCOC[C@H]1C1CC1 ZINC001215461108 1224000731 /nfs/dbraw/zinc/00/07/31/1224000731.db2.gz SDYAVAMAWIRPLF-OIISXLGYSA-N 1 3 366.506 0.012 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216002503 1224029548 /nfs/dbraw/zinc/02/95/48/1224029548.db2.gz SCMGKOKAMQLLSU-JFIYKMOQSA-N 1 3 371.522 0.321 20 0 FCADHO CCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099218 1224034041 /nfs/dbraw/zinc/03/40/41/1224034041.db2.gz KWAQGKFABNQADF-HLLBOEOZSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001216463318 1224052740 /nfs/dbraw/zinc/05/27/40/1224052740.db2.gz DLOJZSBNABPVTC-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216515465 1224054352 /nfs/dbraw/zinc/05/43/52/1224054352.db2.gz QRMFEBKBQUVGHQ-JFIYKMOQSA-N 1 3 367.490 0.935 20 0 FCADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001277720056 1226172954 /nfs/dbraw/zinc/17/29/54/1226172954.db2.gz ULIZXEPYJFIXSB-BJLQDIEVSA-N 1 3 361.486 0.219 20 0 FCADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001277720056 1226172957 /nfs/dbraw/zinc/17/29/57/1226172957.db2.gz ULIZXEPYJFIXSB-BJLQDIEVSA-N 1 3 361.486 0.219 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000823698175 1245321167 /nfs/dbraw/zinc/32/11/67/1245321167.db2.gz SWXUVXMELGRBCB-HNNXBMFYSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000823698176 1245321342 /nfs/dbraw/zinc/32/13/42/1245321342.db2.gz SWXUVXMELGRBCB-OAHLLOKOSA-N 1 3 366.506 0.156 20 0 FCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848931893 1245387214 /nfs/dbraw/zinc/38/72/14/1245387214.db2.gz IHHRIHQPPWYCAX-VQHPVUNQSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848931893 1245387219 /nfs/dbraw/zinc/38/72/19/1245387219.db2.gz IHHRIHQPPWYCAX-VQHPVUNQSA-N 1 3 364.490 0.099 20 0 FCADHO [NH2+]=C(NCCN1CCNC(=O)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849078356 1245391586 /nfs/dbraw/zinc/39/15/86/1245391586.db2.gz PDSKYGSNSKVMGA-UHFFFAOYSA-N 1 3 358.490 0.197 20 0 FCADHO NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)O1 ZINC000849089112 1245391930 /nfs/dbraw/zinc/39/19/30/1245391930.db2.gz UIXHASCSQOYKNX-SJORKVTESA-N 1 3 359.474 0.798 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919642236 1245609959 /nfs/dbraw/zinc/60/99/59/1245609959.db2.gz JSHFJGCFYRCCNT-BMGDNIKJSA-N 1 3 368.522 0.486 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000919642236 1245609967 /nfs/dbraw/zinc/60/99/67/1245609967.db2.gz JSHFJGCFYRCCNT-BMGDNIKJSA-N 1 3 368.522 0.486 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1)N(C)C ZINC000941786088 1246826177 /nfs/dbraw/zinc/82/61/77/1246826177.db2.gz QCMDZFAMLKKMCB-BRWVUGGUSA-N 1 3 368.522 0.401 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553452 1247129062 /nfs/dbraw/zinc/12/90/62/1247129062.db2.gz YDXKAXFCXAJVFN-HZPDHXFCSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CN(C)C3CCC3)CCO2)CC[N@@H+]1C ZINC000944619560 1247585173 /nfs/dbraw/zinc/58/51/73/1247585173.db2.gz ZCHRDNRTYKIYFB-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CN(C)C3CCC3)CCO2)CC[N@H+]1C ZINC000944619560 1247585177 /nfs/dbraw/zinc/58/51/77/1247585177.db2.gz ZCHRDNRTYKIYFB-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)CC4)C[C@H]32)CC[N@@H+]1C ZINC000976600250 1248277689 /nfs/dbraw/zinc/27/76/89/1248277689.db2.gz BSYLRSSRKJTERE-RXYDEIHYSA-N 1 3 362.518 0.632 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)CC4)C[C@H]32)CC[N@H+]1C ZINC000976600250 1248277704 /nfs/dbraw/zinc/27/77/04/1248277704.db2.gz BSYLRSSRKJTERE-RXYDEIHYSA-N 1 3 362.518 0.632 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656624 1248327539 /nfs/dbraw/zinc/32/75/39/1248327539.db2.gz CNEIPWQYIPWXDA-OBRKIGFESA-N 1 3 362.518 0.774 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976656624 1248327546 /nfs/dbraw/zinc/32/75/46/1248327546.db2.gz CNEIPWQYIPWXDA-OBRKIGFESA-N 1 3 362.518 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994336833 1250386065 /nfs/dbraw/zinc/38/60/65/1250386065.db2.gz YBKQXANAPJSGFF-DJIMGWMZSA-N 1 3 362.518 0.633 20 0 FCADHO Cc1c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)nnn1C1CC[NH2+]CC1 ZINC001329282331 1265726346 /nfs/dbraw/zinc/72/63/46/1265726346.db2.gz RVOJHXNGZYSNLW-CQSZACIVSA-N 1 3 363.510 0.124 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001065212731 1254493633 /nfs/dbraw/zinc/49/36/33/1254493633.db2.gz UOXFVSGZOWNAFU-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001065212731 1254493635 /nfs/dbraw/zinc/49/36/35/1254493635.db2.gz UOXFVSGZOWNAFU-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001329944191 1265901969 /nfs/dbraw/zinc/90/19/69/1265901969.db2.gz HMHIXAHWVPXZGP-UHFFFAOYSA-N 1 3 361.490 0.354 20 0 FCADHO COCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259591 1255492252 /nfs/dbraw/zinc/49/22/52/1255492252.db2.gz IJAJYTHRCSGXQT-OKZBNKHCSA-N 1 3 365.518 0.914 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707709 1255582219 /nfs/dbraw/zinc/58/22/19/1255582219.db2.gz RGZMNKCLKCPQKT-BPQIPLTHSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001080051043 1255725643 /nfs/dbraw/zinc/72/56/43/1255725643.db2.gz LBQRTTVJTZKYTJ-CZUORRHYSA-N 1 3 369.425 0.533 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001080051043 1255725651 /nfs/dbraw/zinc/72/56/51/1255725651.db2.gz LBQRTTVJTZKYTJ-CZUORRHYSA-N 1 3 369.425 0.533 20 0 FCADHO CC[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213978 1256207934 /nfs/dbraw/zinc/20/79/34/1256207934.db2.gz YHFYYXWWXPVACT-OKZBNKHCSA-N 1 3 370.497 0.930 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001330452353 1266029233 /nfs/dbraw/zinc/02/92/33/1266029233.db2.gz XYOOUYZHODACHY-GVDBMIGSSA-N 1 3 366.506 0.345 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001330543449 1266055438 /nfs/dbraw/zinc/05/54/38/1266055438.db2.gz ITTBGUCBTXVMAY-KRWDZBQOSA-N 1 3 366.506 0.204 20 0 FCADHO CCCN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC001330543456 1266056300 /nfs/dbraw/zinc/05/63/00/1266056300.db2.gz JDVGECRBSBPSEJ-KRWDZBQOSA-N 1 3 366.506 0.347 20 0 FCADHO Cc1oncc1CN[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653466 1256958219 /nfs/dbraw/zinc/95/82/19/1256958219.db2.gz LZUCBKYKYQFAGK-JISMVTRBSA-N 1 3 360.458 0.783 20 0 FCADHO Cc1oncc1CN[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653466 1256958225 /nfs/dbraw/zinc/95/82/25/1256958225.db2.gz LZUCBKYKYQFAGK-JISMVTRBSA-N 1 3 360.458 0.783 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082743712 1257024215 /nfs/dbraw/zinc/02/42/15/1257024215.db2.gz WWOQCTAHCCYPGQ-HZPDHXFCSA-N 1 3 366.506 0.014 20 0 FCADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NCc1cnn(C)c1 ZINC001082797746 1257057949 /nfs/dbraw/zinc/05/79/49/1257057949.db2.gz NCAOIJOUEUCSCM-RHSMWYFYSA-N 1 3 359.478 0.429 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082828056 1257085448 /nfs/dbraw/zinc/08/54/48/1257085448.db2.gz PVFAWPMLHBZNRF-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001082827820 1257085539 /nfs/dbraw/zinc/08/55/39/1257085539.db2.gz CFEJYBYVSGKUMJ-RDTXWAMCSA-N 1 3 363.506 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCCC[C@@H]1C ZINC001082863097 1257113624 /nfs/dbraw/zinc/11/36/24/1257113624.db2.gz KWCBIOPWKIBINL-IXDOHACOSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC001082863548 1257113663 /nfs/dbraw/zinc/11/36/63/1257113663.db2.gz IMJUDPKFTXRDTD-DJIMGWMZSA-N 1 3 360.502 0.672 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)n1 ZINC001083085089 1257286774 /nfs/dbraw/zinc/28/67/74/1257286774.db2.gz ZHMVWWRIBSSYFF-ZWKOTPCHSA-N 1 3 361.490 0.770 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)CN1CCN(C)CC1 ZINC001521503674 1266128725 /nfs/dbraw/zinc/12/87/25/1266128725.db2.gz JZIQDDPAQKNQHL-BRSBDYLESA-N 1 3 352.523 0.533 20 0 FCADHO COCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352015 1258044780 /nfs/dbraw/zinc/04/47/80/1258044780.db2.gz MDTGRQUCLWZTMB-MKXGPGLRSA-N 1 3 365.518 0.912 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001084964897 1258477590 /nfs/dbraw/zinc/47/75/90/1258477590.db2.gz XBMQBUQQMVXDMF-IKGGRYGDSA-N 1 3 365.522 0.521 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085196634 1258626745 /nfs/dbraw/zinc/62/67/45/1258626745.db2.gz IFPODYPEJTUXAU-ZACQAIPSSA-N 1 3 365.522 0.901 20 0 FCADHO C[NH+](C)[C@](C)(C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1)c1ccccc1 ZINC001088166972 1258682219 /nfs/dbraw/zinc/68/22/19/1258682219.db2.gz AZICMWZLRJMFRV-GUXCAODWSA-N 1 3 358.486 0.729 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637441 1258920446 /nfs/dbraw/zinc/92/04/46/1258920446.db2.gz PQQIUYAQJZKLTD-LFGUQSLTSA-N 1 3 367.534 0.819 20 0 FCADHO CNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105652362 1258922361 /nfs/dbraw/zinc/92/23/61/1258922361.db2.gz LJXDMPLJWIUKNI-LTDCPUDJSA-N 1 3 368.522 0.040 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106673448 1258939085 /nfs/dbraw/zinc/93/90/85/1258939085.db2.gz ZDRWXYJOHNOUGU-RBSFLKMASA-N 1 3 366.506 0.454 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1)N(C)C ZINC001106674055 1258939627 /nfs/dbraw/zinc/93/96/27/1258939627.db2.gz PKHBXENKFAHGDC-YUELXQCFSA-N 1 3 365.478 0.946 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039457 1259022104 /nfs/dbraw/zinc/02/21/04/1259022104.db2.gz SGWZQULMFJMZMU-QLFBSQMISA-N 1 3 369.510 0.245 20 0 FCADHO COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042426 1259023811 /nfs/dbraw/zinc/02/38/11/1259023811.db2.gz MFVFOHKTPWXXBW-BRWVUGGUSA-N 1 3 370.538 0.552 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCOC2)[C@H](C)C1 ZINC001107042698 1259023946 /nfs/dbraw/zinc/02/39/46/1259023946.db2.gz YMERNTMEIJYJSY-IXDOHACOSA-N 1 3 368.522 0.163 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)C1 ZINC001107550188 1259114099 /nfs/dbraw/zinc/11/40/99/1259114099.db2.gz PGQKVJGQKRWWQA-YQVWRLOYSA-N 1 3 360.506 0.981 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)C1 ZINC001107550188 1259114102 /nfs/dbraw/zinc/11/41/02/1259114102.db2.gz PGQKVJGQKRWWQA-YQVWRLOYSA-N 1 3 360.506 0.981 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC001127659472 1259185045 /nfs/dbraw/zinc/18/50/45/1259185045.db2.gz CHAVQTQKFUSAON-CRAIPNDOSA-N 1 3 358.486 0.617 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCc3ccccc3C2)CC[N@H+]1C ZINC001127659472 1259185049 /nfs/dbraw/zinc/18/50/49/1259185049.db2.gz CHAVQTQKFUSAON-CRAIPNDOSA-N 1 3 358.486 0.617 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129204805 1259344879 /nfs/dbraw/zinc/34/48/79/1259344879.db2.gz KGSPFKLJXKWXQD-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC(C)C)C1 ZINC001216229108 1259537524 /nfs/dbraw/zinc/53/75/24/1259537524.db2.gz BFASBGSYEFBFLN-IAGOWNOFSA-N 1 3 370.538 0.696 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC(C)C)C1 ZINC001216229108 1259537530 /nfs/dbraw/zinc/53/75/30/1259537530.db2.gz BFASBGSYEFBFLN-IAGOWNOFSA-N 1 3 370.538 0.696 20 0 FCADHO CCOC(=O)[C@@H]1CC[C@@H](N2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CN1 ZINC001246609374 1259656589 /nfs/dbraw/zinc/65/65/89/1259656589.db2.gz MZHPTNWAICAFQP-RCJHGTSTSA-N 1 3 367.490 0.535 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733007 1259673126 /nfs/dbraw/zinc/67/31/26/1259673126.db2.gz CPGWSPWJAUNENH-WFXMFSGNSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733007 1259673137 /nfs/dbraw/zinc/67/31/37/1259673137.db2.gz CPGWSPWJAUNENH-WFXMFSGNSA-N 1 3 358.490 0.634 20 0 FCADHO O=C(c1ccco1)N1CCC[C@]2(C1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766035 1259684049 /nfs/dbraw/zinc/68/40/49/1259684049.db2.gz OKCVTUGVPPAAOI-OXJNMPFZSA-N 1 3 374.485 0.681 20 0 FCADHO COc1ccc(OC)c(CN2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246773978 1259689324 /nfs/dbraw/zinc/68/93/24/1259689324.db2.gz DPDDCAGOJUZSEN-QGZVFWFLSA-N 1 3 360.502 0.915 20 0 FCADHO CN1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1(C)C ZINC001335522038 1259697608 /nfs/dbraw/zinc/69/76/08/1259697608.db2.gz MYHYXNQHICJBKN-INIZCTEOSA-N 1 3 367.538 0.470 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N(c3ccccn3)C3CC[NH2+]CC3)C[C@@H]21 ZINC001335685898 1259786139 /nfs/dbraw/zinc/78/61/39/1259786139.db2.gz FYOQKGCDVROWEF-ZBFHGGJFSA-N 1 3 357.458 0.329 20 0 FCADHO CC(=O)N1CCC([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001254423334 1259883128 /nfs/dbraw/zinc/88/31/28/1259883128.db2.gz FHRLAZUBDISGII-UHFFFAOYSA-N 1 3 360.502 0.821 20 0 FCADHO CC(=O)N1CCC([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001254423334 1259883134 /nfs/dbraw/zinc/88/31/34/1259883134.db2.gz FHRLAZUBDISGII-UHFFFAOYSA-N 1 3 360.502 0.821 20 0 FCADHO Cn1nnc2c1CCN([C@@H]1CCCN(C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001255490550 1259916238 /nfs/dbraw/zinc/91/62/38/1259916238.db2.gz UGXIINJBSLQNOC-AEFFLSMTSA-N 1 3 362.522 0.921 20 0 FCADHO COCCOCCOCCOCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685796 1259957436 /nfs/dbraw/zinc/95/74/36/1259957436.db2.gz HLSPHOUCIJMMLL-UHFFFAOYSA-N 1 3 374.522 0.916 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001258373393 1260046774 /nfs/dbraw/zinc/04/67/74/1260046774.db2.gz HNUGBILHKQRGAM-IAGOWNOFSA-N 1 3 367.538 0.071 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001336256670 1260059807 /nfs/dbraw/zinc/05/98/07/1260059807.db2.gz RBLNJAOXMUEVEB-KZNAEPCWSA-N 1 3 371.485 0.559 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273176 1260064193 /nfs/dbraw/zinc/06/41/93/1260064193.db2.gz RTLDAMFRNWRZGA-INIZCTEOSA-N 1 3 351.495 0.468 20 0 FCADHO NC(=O)COc1ccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001261492613 1260150079 /nfs/dbraw/zinc/15/00/79/1260150079.db2.gz MPFRDBGKNOBFNH-UHFFFAOYSA-N 1 3 374.485 0.633 20 0 FCADHO C[N@@H+]1CC[C@](O)(CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC001336793677 1260223895 /nfs/dbraw/zinc/22/38/95/1260223895.db2.gz FOFVLRYMQDXWHA-IBGZPJMESA-N 1 3 360.458 0.798 20 0 FCADHO C[N@H+]1CC[C@](O)(CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC001336793677 1260223900 /nfs/dbraw/zinc/22/39/00/1260223900.db2.gz FOFVLRYMQDXWHA-IBGZPJMESA-N 1 3 360.458 0.798 20 0 FCADHO CN1CC[NH2+]C[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001263101268 1260341925 /nfs/dbraw/zinc/34/19/25/1260341925.db2.gz NOFSCDKZURMYSY-SFHVURJKSA-N 1 3 364.465 0.689 20 0 FCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001337486589 1260413440 /nfs/dbraw/zinc/41/34/40/1260413440.db2.gz XCIHVKLJXNXAFX-ORQFMDKSSA-N 1 3 364.490 0.003 20 0 FCADHO COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(Cc3cc(C)nn3C)C[C@H]12 ZINC001278272035 1260688450 /nfs/dbraw/zinc/68/84/50/1260688450.db2.gz DMHJMYFUUBKVIF-IAGOWNOFSA-N 1 3 361.490 0.387 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cc(C)nn3C)C[C@H]12 ZINC001278272035 1260688456 /nfs/dbraw/zinc/68/84/56/1260688456.db2.gz DMHJMYFUUBKVIF-IAGOWNOFSA-N 1 3 361.490 0.387 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cc(C)nn3C)C[C@H]12 ZINC001278272035 1260688462 /nfs/dbraw/zinc/68/84/62/1260688462.db2.gz DMHJMYFUUBKVIF-IAGOWNOFSA-N 1 3 361.490 0.387 20 0 FCADHO C[NH+](C)CCN1CCN(Cc2ccncc2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001278463709 1260695061 /nfs/dbraw/zinc/69/50/61/1260695061.db2.gz LTGKJRQPHWZVDU-LJQANCHMSA-N 1 3 361.490 0.505 20 0 FCADHO O=C1CC[C@H](CN2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472465 1260695873 /nfs/dbraw/zinc/69/58/73/1260695873.db2.gz NMLVXHUGTDMRJB-PVAVHDDUSA-N 1 3 360.502 0.720 20 0 FCADHO O=C1CC[C@H](CN2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472465 1260695876 /nfs/dbraw/zinc/69/58/76/1260695876.db2.gz NMLVXHUGTDMRJB-PVAVHDDUSA-N 1 3 360.502 0.720 20 0 FCADHO Cn1nccc1CNC(=O)C1=NO[C@@H]2CN(CC3CC[NH+](C)CC3)C[C@H]12 ZINC001280126227 1261010483 /nfs/dbraw/zinc/01/04/83/1261010483.db2.gz UBWUDVLWIMBHBT-JKSUJKDBSA-N 1 3 360.462 0.065 20 0 FCADHO CCN(CC)C(=O)CN1CCC[C@]2(C1)C[N@H+](CCn1ccnc1)CCO2 ZINC001280169991 1261019913 /nfs/dbraw/zinc/01/99/13/1261019913.db2.gz OTTAHYQLURPQPC-LJQANCHMSA-N 1 3 363.506 0.918 20 0 FCADHO CCN(CC)C(=O)CN1CCC[C@]2(C1)C[N@@H+](CCn1ccnc1)CCO2 ZINC001280169991 1261019915 /nfs/dbraw/zinc/01/99/15/1261019915.db2.gz OTTAHYQLURPQPC-LJQANCHMSA-N 1 3 363.506 0.918 20 0 FCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC001332331109 1266378890 /nfs/dbraw/zinc/37/88/90/1266378890.db2.gz IGEDNRQTFWBKEP-WNRNVDISSA-N 1 3 356.470 0.573 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](OC)C1 ZINC001281839534 1261223372 /nfs/dbraw/zinc/22/33/72/1261223372.db2.gz JBTXETADWDVTBG-HZPDHXFCSA-N 1 3 368.522 0.545 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](OC)C1 ZINC001281839534 1261223376 /nfs/dbraw/zinc/22/33/76/1261223376.db2.gz JBTXETADWDVTBG-HZPDHXFCSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2O)CCC1 ZINC001281899572 1261268903 /nfs/dbraw/zinc/26/89/03/1261268903.db2.gz SLNBFYKUKGLPOM-CVEARBPZSA-N 1 3 366.506 0.035 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580321766 1278122980 /nfs/dbraw/zinc/12/29/80/1278122980.db2.gz IAWJTPOBMKWDER-UKPHBRMFSA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001580321766 1278122986 /nfs/dbraw/zinc/12/29/86/1278122986.db2.gz IAWJTPOBMKWDER-UKPHBRMFSA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580321766 1278122987 /nfs/dbraw/zinc/12/29/87/1278122987.db2.gz IAWJTPOBMKWDER-UKPHBRMFSA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001580321766 1278122990 /nfs/dbraw/zinc/12/29/90/1278122990.db2.gz IAWJTPOBMKWDER-UKPHBRMFSA-N 1 3 369.473 0.755 20 0 FCADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290873473 1262525399 /nfs/dbraw/zinc/52/53/99/1262525399.db2.gz FFNLAOCZQQHOPX-GOSISDBHSA-N 1 3 362.522 0.965 20 0 FCADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290873473 1262525401 /nfs/dbraw/zinc/52/54/01/1262525401.db2.gz FFNLAOCZQQHOPX-GOSISDBHSA-N 1 3 362.522 0.965 20 0 FCADHO CCN(CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485031534 1263496823 /nfs/dbraw/zinc/49/68/23/1263496823.db2.gz QBIPXQFTQRMSIO-NVXWUHKLSA-N 1 3 352.523 0.975 20 0 FCADHO CCN(CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485031534 1263496830 /nfs/dbraw/zinc/49/68/30/1263496830.db2.gz QBIPXQFTQRMSIO-NVXWUHKLSA-N 1 3 352.523 0.975 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)[C@@H](c2ccccc2)C1 ZINC001495943810 1263846625 /nfs/dbraw/zinc/84/66/25/1263846625.db2.gz VFSNWCWULAMYHV-SJORKVTESA-N 1 3 358.486 0.836 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)[C@@H](c2ccccc2)C1 ZINC001495943810 1263846644 /nfs/dbraw/zinc/84/66/44/1263846644.db2.gz VFSNWCWULAMYHV-SJORKVTESA-N 1 3 358.486 0.836 20 0 FCADHO COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC001321668955 1264028152 /nfs/dbraw/zinc/02/81/52/1264028152.db2.gz ABBCYZDLGNMCNN-UHFFFAOYSA-N 1 3 368.453 0.402 20 0 FCADHO CCCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001501952299 1264156913 /nfs/dbraw/zinc/15/69/13/1264156913.db2.gz MMZZGDCCTZKICF-ZIAGYGMSSA-N 1 3 367.494 0.191 20 0 FCADHO CCCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001501952299 1264156916 /nfs/dbraw/zinc/15/69/16/1264156916.db2.gz MMZZGDCCTZKICF-ZIAGYGMSSA-N 1 3 367.494 0.191 20 0 FCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580400593 1278225855 /nfs/dbraw/zinc/22/58/55/1278225855.db2.gz GMGZQCOZYOPCFB-NEPJUHHUSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580400593 1278225873 /nfs/dbraw/zinc/22/58/73/1278225873.db2.gz GMGZQCOZYOPCFB-NEPJUHHUSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H]1CC(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC001326185232 1265074788 /nfs/dbraw/zinc/07/47/88/1265074788.db2.gz AWKYQYIUBXZVDP-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)cn1 ZINC001326857912 1265185346 /nfs/dbraw/zinc/18/53/46/1265185346.db2.gz GQLSCPYKAPRRBR-UHFFFAOYSA-N 1 3 372.429 0.504 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC001332673705 1266458421 /nfs/dbraw/zinc/45/84/21/1266458421.db2.gz YSKNNXBAEGUJQS-UEXGIBASSA-N 1 3 372.513 0.863 20 0 FCADHO COC(=O)[C@@H]1CN(C)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001333039605 1266527438 /nfs/dbraw/zinc/52/74/38/1266527438.db2.gz XCYINBYPBFUGRH-QUCCMNQESA-N 1 3 361.486 0.660 20 0 FCADHO COC(=O)[C@@H]1CN(C)CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001333039605 1266527441 /nfs/dbraw/zinc/52/74/41/1266527441.db2.gz XCYINBYPBFUGRH-QUCCMNQESA-N 1 3 361.486 0.660 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC001333678034 1266675228 /nfs/dbraw/zinc/67/52/28/1266675228.db2.gz NSRGXOCGAJCWMU-UHFFFAOYSA-N 1 3 370.497 0.815 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CCCC1 ZINC001333886075 1266739046 /nfs/dbraw/zinc/73/90/46/1266739046.db2.gz YQVDTEGZCASLOV-KRWDZBQOSA-N 1 3 358.486 0.808 20 0 FCADHO COC1(OC)CCOC[C@@H]1NC/C=C/C[NH2+][C@H]1COCCC1(OC)OC ZINC001335067711 1267312602 /nfs/dbraw/zinc/31/26/02/1267312602.db2.gz OBRSCBZUCDEMPQ-DKLOGILVSA-N 1 3 374.478 0.278 20 0 FCADHO CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC001549045835 1267795130 /nfs/dbraw/zinc/79/51/30/1267795130.db2.gz ALNHCDYADDEVBG-YOEHRIQHSA-N 1 3 372.429 0.101 20 0 FCADHO NC[C@@]12CCC[C@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114109 1267814187 /nfs/dbraw/zinc/81/41/87/1267814187.db2.gz BHFWGFNJDGYHAF-QFBILLFUSA-N 1 3 358.490 0.576 20 0 FCADHO NC[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114109 1267814200 /nfs/dbraw/zinc/81/42/00/1267814200.db2.gz BHFWGFNJDGYHAF-QFBILLFUSA-N 1 3 358.490 0.576 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)n1 ZINC001549213617 1267859082 /nfs/dbraw/zinc/85/90/82/1267859082.db2.gz CXANXFFFWQIQHD-GJZGRUSLSA-N 1 3 356.430 0.586 20 0 FCADHO O=C(CN1CCC(CO)CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001338583133 1267995777 /nfs/dbraw/zinc/99/57/77/1267995777.db2.gz REDACQIDHOEXSN-UHFFFAOYSA-N 1 3 374.529 0.625 20 0 FCADHO Cc1cccn2c(=O)cc(CN[C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)nc12 ZINC001550914734 1268184377 /nfs/dbraw/zinc/18/43/77/1268184377.db2.gz ZEUDBODLCIDIRK-LPHOPBHVSA-N 1 3 369.469 0.739 20 0 FCADHO Cc1ccccc1CNC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550911703 1268184638 /nfs/dbraw/zinc/18/46/38/1268184638.db2.gz FJNROOHKJQCJBS-YLJYHZDGSA-N 1 3 358.486 0.848 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551499075 1268261688 /nfs/dbraw/zinc/26/16/88/1268261688.db2.gz WBUYZTSMUJVJOG-UERKLNTKSA-N 1 3 354.495 0.778 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001551498418 1268261828 /nfs/dbraw/zinc/26/18/28/1268261828.db2.gz QMRLKIZZHAPGLJ-VJFUWPCTSA-N 1 3 354.495 0.515 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC1 ZINC001552168342 1268400957 /nfs/dbraw/zinc/40/09/57/1268400957.db2.gz UTRICFYAXYOOMS-JLSDUUJJSA-N 1 3 362.522 0.174 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552840021 1268557878 /nfs/dbraw/zinc/55/78/78/1268557878.db2.gz YQEQEFRGSOJDFI-WDEREUQCSA-N 1 3 358.393 0.153 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552839938 1268558571 /nfs/dbraw/zinc/55/85/71/1268558571.db2.gz YQEQEFRGSOJDFI-GHMZBOCLSA-N 1 3 358.393 0.153 20 0 FCADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC001552847440 1268559003 /nfs/dbraw/zinc/55/90/03/1268559003.db2.gz UUGIBCRUIYYTKZ-CHWSQXEVSA-N 1 3 363.487 0.303 20 0 FCADHO CC[C@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001552957513 1268569468 /nfs/dbraw/zinc/56/94/68/1268569468.db2.gz JVSKTQKDEPQMQG-HUUCEWRRSA-N 1 3 351.495 0.642 20 0 FCADHO Cc1c(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)nnn1[C@H]1CC[NH2+]C1 ZINC001554047355 1268748942 /nfs/dbraw/zinc/74/89/42/1268748942.db2.gz UCEQGMKCOSPHLM-ZDUSSCGKSA-N 1 3 367.417 0.617 20 0 FCADHO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CN1CCCC1 ZINC001556855031 1268900873 /nfs/dbraw/zinc/90/08/73/1268900873.db2.gz NZJUYZLSBGKYLC-LSDHHAIUSA-N 1 3 372.510 0.404 20 0 FCADHO Cn1c(C2=NO[C@H](CO)C2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001341578150 1269092230 /nfs/dbraw/zinc/09/22/30/1269092230.db2.gz ABPFOLJRUQIFJU-HNNXBMFYSA-N 1 3 356.430 0.623 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1O ZINC001341663936 1269139462 /nfs/dbraw/zinc/13/94/62/1269139462.db2.gz JLJFNZPISFSVGZ-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1O ZINC001341663936 1269139466 /nfs/dbraw/zinc/13/94/66/1269139466.db2.gz JLJFNZPISFSVGZ-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc1)[C@@H]1CCCN(C)C1 ZINC001341712153 1269164851 /nfs/dbraw/zinc/16/48/51/1269164851.db2.gz JNLWLOWKMUJPHE-MSOLQXFVSA-N 1 3 373.501 0.695 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](OC)C1 ZINC001342936174 1269686969 /nfs/dbraw/zinc/68/69/69/1269686969.db2.gz KRGDKEMLPWCDKY-HUUCEWRRSA-N 1 3 354.495 0.155 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](OC)C1 ZINC001342936174 1269686977 /nfs/dbraw/zinc/68/69/77/1269686977.db2.gz KRGDKEMLPWCDKY-HUUCEWRRSA-N 1 3 354.495 0.155 20 0 FCADHO Cc1cnn(CC2CC2)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001343317523 1269858293 /nfs/dbraw/zinc/85/82/93/1269858293.db2.gz BXLJGDXOSWEOQF-UHFFFAOYSA-N 1 3 364.494 0.492 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001343693526 1269984092 /nfs/dbraw/zinc/98/40/92/1269984092.db2.gz HKRYWVIQLKUMHT-SJORKVTESA-N 1 3 368.522 0.137 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001573071257 1270593370 /nfs/dbraw/zinc/59/33/70/1270593370.db2.gz AVTAFFLOAYKPQH-NVXWUHKLSA-N 1 3 359.474 0.888 20 0 FCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574606422 1271413700 /nfs/dbraw/zinc/41/37/00/1271413700.db2.gz IEAUOXBGMLYUHQ-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO O=C(NC[C@@H]1CCCN1CCCO)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001580654888 1278637291 /nfs/dbraw/zinc/63/72/91/1278637291.db2.gz PUDHYEAJLYIDRK-CABCVRRESA-N 1 3 350.467 0.169 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874824 1271629183 /nfs/dbraw/zinc/62/91/83/1271629183.db2.gz DVHZWCKLRIWVCF-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874824 1271629189 /nfs/dbraw/zinc/62/91/89/1271629189.db2.gz DVHZWCKLRIWVCF-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877299 1271637779 /nfs/dbraw/zinc/63/77/79/1271637779.db2.gz QUKRLZYZGHUSRO-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877299 1271637784 /nfs/dbraw/zinc/63/77/84/1271637784.db2.gz QUKRLZYZGHUSRO-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877299 1271637790 /nfs/dbraw/zinc/63/77/90/1271637790.db2.gz QUKRLZYZGHUSRO-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877299 1271637793 /nfs/dbraw/zinc/63/77/93/1271637793.db2.gz QUKRLZYZGHUSRO-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574889671 1271651075 /nfs/dbraw/zinc/65/10/75/1271651075.db2.gz XSLAJRZCIOUFAL-DYVFJYSZSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574889671 1271651086 /nfs/dbraw/zinc/65/10/86/1271651086.db2.gz XSLAJRZCIOUFAL-DYVFJYSZSA-N 1 3 369.473 0.803 20 0 FCADHO CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C[C@@H](O)C2CC[NH2+]CC2)C1 ZINC001575214489 1271793960 /nfs/dbraw/zinc/79/39/60/1271793960.db2.gz UXFBJZFKJUCKMM-QAPCUYQASA-N 1 3 357.495 0.699 20 0 FCADHO CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C[C@H](O)C2CC[NH2+]CC2)C1 ZINC001575214487 1271794397 /nfs/dbraw/zinc/79/43/97/1271794397.db2.gz UXFBJZFKJUCKMM-MAUKXSAKSA-N 1 3 357.495 0.699 20 0 FCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575393832 1272039899 /nfs/dbraw/zinc/03/98/99/1272039899.db2.gz XXKYTWJXYNBYMY-VXGBXAGGSA-N 1 3 363.441 0.940 20 0 FCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575393832 1272039912 /nfs/dbraw/zinc/03/99/12/1272039912.db2.gz XXKYTWJXYNBYMY-VXGBXAGGSA-N 1 3 363.441 0.940 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565849 1272199480 /nfs/dbraw/zinc/19/94/80/1272199480.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565849 1272199485 /nfs/dbraw/zinc/19/94/85/1272199485.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565849 1272199494 /nfs/dbraw/zinc/19/94/94/1272199494.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565849 1272199499 /nfs/dbraw/zinc/19/94/99/1272199499.db2.gz DYZUCLYEYKXSFB-CVEARBPZSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H](C[NH2+]CCc1cn[nH]n1)N(C)C(=O)C(C)(C)CN1CCOCC1 ZINC001575613360 1272235140 /nfs/dbraw/zinc/23/51/40/1272235140.db2.gz SYRRLDIGEAJIPF-AWEZNQCLSA-N 1 3 352.483 0.142 20 0 FCADHO C[C@@H](C[NH2+]CCc1c[nH]nn1)N(C)C(=O)C(C)(C)CN1CCOCC1 ZINC001575613360 1272235146 /nfs/dbraw/zinc/23/51/46/1272235146.db2.gz SYRRLDIGEAJIPF-AWEZNQCLSA-N 1 3 352.483 0.142 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001575832499 1272497840 /nfs/dbraw/zinc/49/78/40/1272497840.db2.gz BETYTFFCJGUZCA-ZOBUZTSGSA-N 1 3 354.495 0.093 20 0 FCADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CC[NH+](C)C ZINC001576024791 1272727631 /nfs/dbraw/zinc/72/76/31/1272727631.db2.gz PSZKWSOMUAVZHQ-DZGCQCFKSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CC[NH+](C)C ZINC001576024791 1272727636 /nfs/dbraw/zinc/72/76/36/1272727636.db2.gz PSZKWSOMUAVZHQ-DZGCQCFKSA-N 1 3 357.462 0.897 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(CNCc3cn[nH]n3)CCOCC2)C1 ZINC001576748217 1273619955 /nfs/dbraw/zinc/61/99/55/1273619955.db2.gz VGTYTVFBTKKFPU-GOEBONIOSA-N 1 3 364.494 0.680 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H](CNCc2cn[nH]n2)C(C)(C)C)n1 ZINC001576750121 1273620396 /nfs/dbraw/zinc/62/03/96/1273620396.db2.gz MIRTWANVXUXHJT-HNNXBMFYSA-N 1 3 362.482 0.497 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576767259 1273645050 /nfs/dbraw/zinc/64/50/50/1273645050.db2.gz LUKJVBNCUQAWQN-XJKSGUPXSA-N 1 3 374.493 0.885 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794618 1273696592 /nfs/dbraw/zinc/69/65/92/1273696592.db2.gz FCKFYVMWBRUPHP-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794618 1273696602 /nfs/dbraw/zinc/69/66/02/1273696602.db2.gz FCKFYVMWBRUPHP-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794618 1273696610 /nfs/dbraw/zinc/69/66/10/1273696610.db2.gz FCKFYVMWBRUPHP-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794618 1273696616 /nfs/dbraw/zinc/69/66/16/1273696616.db2.gz FCKFYVMWBRUPHP-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001576818073 1273740176 /nfs/dbraw/zinc/74/01/76/1273740176.db2.gz XHSARCCVVPLNLS-AWEZNQCLSA-N 1 3 363.441 0.942 20 0 FCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001576818073 1273740184 /nfs/dbraw/zinc/74/01/84/1273740184.db2.gz XHSARCCVVPLNLS-AWEZNQCLSA-N 1 3 363.441 0.942 20 0 FCADHO CCN1CCN([C@@H]2CCN(c3nnc(C)n3C[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775996 1274866847 /nfs/dbraw/zinc/86/68/47/1274866847.db2.gz UWYRXHJHKRMOPS-ZWKOTPCHSA-N 1 3 361.538 0.802 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577869727 1275055357 /nfs/dbraw/zinc/05/53/57/1275055357.db2.gz RLIYEMGTIWVUDK-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577869727 1275055366 /nfs/dbraw/zinc/05/53/66/1275055366.db2.gz RLIYEMGTIWVUDK-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577869727 1275055370 /nfs/dbraw/zinc/05/53/70/1275055370.db2.gz RLIYEMGTIWVUDK-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577869727 1275055377 /nfs/dbraw/zinc/05/53/77/1275055377.db2.gz RLIYEMGTIWVUDK-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[NH2+][C@H](C)Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001577894187 1275103795 /nfs/dbraw/zinc/10/37/95/1275103795.db2.gz NRWLPBWIUYLHEJ-OAHLLOKOSA-N 1 3 363.510 0.329 20 0 FCADHO CCN(CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)CC[NH+](C)C ZINC001578105235 1275407947 /nfs/dbraw/zinc/40/79/47/1275407947.db2.gz QCOWKUKMBQBJGT-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO CCc1nnc(N2CC[C@H]([NH3+])C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001578328644 1275675338 /nfs/dbraw/zinc/67/53/38/1275675338.db2.gz JRNDNMLUAQMLJF-LSDHHAIUSA-N 1 3 363.510 0.321 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525018 1275958201 /nfs/dbraw/zinc/95/82/01/1275958201.db2.gz MJXOMTIEPDDZJG-IRXDYDNUSA-N 1 3 352.523 0.900 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525018 1275958207 /nfs/dbraw/zinc/95/82/07/1275958207.db2.gz MJXOMTIEPDDZJG-IRXDYDNUSA-N 1 3 352.523 0.900 20 0 FCADHO CN1CCN(CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC001578533637 1275964810 /nfs/dbraw/zinc/96/48/10/1275964810.db2.gz QKZLBBDSXGMHPG-SFHVURJKSA-N 1 3 357.502 0.980 20 0 FCADHO CNC(=O)CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCCC1 ZINC001578553303 1275980628 /nfs/dbraw/zinc/98/06/28/1275980628.db2.gz PKAKAGGLNVGTAQ-HNNXBMFYSA-N 1 3 363.510 0.761 20 0 FCADHO O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1CC(N[C@@H]2CCOC2)C1 ZINC001580829407 1279008382 /nfs/dbraw/zinc/00/83/82/1279008382.db2.gz UPUQQEAZJRMNCE-CYBMUJFWSA-N 1 3 350.488 0.888 20 0 FCADHO COC(=O)[C@@H]1CN(CCOCC[NH3+])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001578796624 1276285197 /nfs/dbraw/zinc/28/51/97/1276285197.db2.gz KOXACINXBMOURE-ZDUSSCGKSA-N 1 3 357.451 0.304 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001578974797 1276524878 /nfs/dbraw/zinc/52/48/78/1276524878.db2.gz SZPHSPOHHJWFQW-UHFFFAOYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001578974797 1276524881 /nfs/dbraw/zinc/52/48/81/1276524881.db2.gz SZPHSPOHHJWFQW-UHFFFAOYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578980998 1276542343 /nfs/dbraw/zinc/54/23/43/1276542343.db2.gz RYLYNDSEQANSCK-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578980998 1276542345 /nfs/dbraw/zinc/54/23/45/1276542345.db2.gz RYLYNDSEQANSCK-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO COc1cc(CN[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)ccc1OC(=O)C1CC1 ZINC001579153047 1276893424 /nfs/dbraw/zinc/89/34/24/1276893424.db2.gz QBACCCIBOJPOAP-CQSZACIVSA-N 1 3 359.426 0.673 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001579325150 1277142488 /nfs/dbraw/zinc/14/24/88/1277142488.db2.gz AVXKQBZDHYXWJN-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001579325150 1277142490 /nfs/dbraw/zinc/14/24/90/1277142490.db2.gz AVXKQBZDHYXWJN-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001579325150 1277142491 /nfs/dbraw/zinc/14/24/91/1277142491.db2.gz AVXKQBZDHYXWJN-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001579325150 1277142492 /nfs/dbraw/zinc/14/24/92/1277142492.db2.gz AVXKQBZDHYXWJN-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325466 1277147858 /nfs/dbraw/zinc/14/78/58/1277147858.db2.gz CWQBBQUNPWPODO-UONOGXRCSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325466 1277147860 /nfs/dbraw/zinc/14/78/60/1277147860.db2.gz CWQBBQUNPWPODO-UONOGXRCSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325466 1277147861 /nfs/dbraw/zinc/14/78/61/1277147861.db2.gz CWQBBQUNPWPODO-UONOGXRCSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325466 1277147864 /nfs/dbraw/zinc/14/78/64/1277147864.db2.gz CWQBBQUNPWPODO-UONOGXRCSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327003 1277151885 /nfs/dbraw/zinc/15/18/85/1277151885.db2.gz NWHUBEQEGKDTIC-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327003 1277151889 /nfs/dbraw/zinc/15/18/89/1277151889.db2.gz NWHUBEQEGKDTIC-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327003 1277151894 /nfs/dbraw/zinc/15/18/94/1277151894.db2.gz NWHUBEQEGKDTIC-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327003 1277151895 /nfs/dbraw/zinc/15/18/95/1277151895.db2.gz NWHUBEQEGKDTIC-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327921 1277157723 /nfs/dbraw/zinc/15/77/23/1277157723.db2.gz ZHAXXRRGPHBTDX-CVEARBPZSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327921 1277157724 /nfs/dbraw/zinc/15/77/24/1277157724.db2.gz ZHAXXRRGPHBTDX-CVEARBPZSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CCC2)C1 ZINC001579331282 1277159808 /nfs/dbraw/zinc/15/98/08/1277159808.db2.gz BVRBSOPQOXGINP-OAHLLOKOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CCC2)C1 ZINC001579331282 1277159810 /nfs/dbraw/zinc/15/98/10/1277159810.db2.gz BVRBSOPQOXGINP-OAHLLOKOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[n-]n3)CCC2)C1 ZINC001579331282 1277159813 /nfs/dbraw/zinc/15/98/13/1277159813.db2.gz BVRBSOPQOXGINP-OAHLLOKOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[n-]n3)CCC2)C1 ZINC001579331282 1277159815 /nfs/dbraw/zinc/15/98/15/1277159815.db2.gz BVRBSOPQOXGINP-OAHLLOKOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579331189 1277160117 /nfs/dbraw/zinc/16/01/17/1277160117.db2.gz AROJKIKMQBEMIL-CQSZACIVSA-N 1 3 355.446 0.557 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579331189 1277160118 /nfs/dbraw/zinc/16/01/18/1277160118.db2.gz AROJKIKMQBEMIL-CQSZACIVSA-N 1 3 355.446 0.557 20 0 FCADHO C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC001579332992 1277164767 /nfs/dbraw/zinc/16/47/67/1277164767.db2.gz OKOCXQUSCLREPO-UHFFFAOYSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334007 1277170813 /nfs/dbraw/zinc/17/08/13/1277170813.db2.gz UJVGBQUHSPVUSV-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334007 1277170814 /nfs/dbraw/zinc/17/08/14/1277170814.db2.gz UJVGBQUHSPVUSV-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334007 1277170815 /nfs/dbraw/zinc/17/08/15/1277170815.db2.gz UJVGBQUHSPVUSV-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334007 1277170816 /nfs/dbraw/zinc/17/08/16/1277170816.db2.gz UJVGBQUHSPVUSV-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338338 1277180660 /nfs/dbraw/zinc/18/06/60/1277180660.db2.gz KEDNLBUHBGOXPG-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338338 1277180662 /nfs/dbraw/zinc/18/06/62/1277180662.db2.gz KEDNLBUHBGOXPG-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338338 1277180664 /nfs/dbraw/zinc/18/06/64/1277180664.db2.gz KEDNLBUHBGOXPG-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338338 1277180666 /nfs/dbraw/zinc/18/06/66/1277180666.db2.gz KEDNLBUHBGOXPG-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340400 1277185280 /nfs/dbraw/zinc/18/52/80/1277185280.db2.gz WWMFELWGHIDNFM-QMCVQRASSA-N 1 3 367.457 0.365 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340400 1277185285 /nfs/dbraw/zinc/18/52/85/1277185285.db2.gz WWMFELWGHIDNFM-QMCVQRASSA-N 1 3 367.457 0.365 20 0 FCADHO C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340400 1277185290 /nfs/dbraw/zinc/18/52/90/1277185290.db2.gz WWMFELWGHIDNFM-QMCVQRASSA-N 1 3 367.457 0.365 20 0 FCADHO C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340400 1277185292 /nfs/dbraw/zinc/18/52/92/1277185292.db2.gz WWMFELWGHIDNFM-QMCVQRASSA-N 1 3 367.457 0.365 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579343994 1277194006 /nfs/dbraw/zinc/19/40/06/1277194006.db2.gz BMTINHXLAPIFNI-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579343994 1277194007 /nfs/dbraw/zinc/19/40/07/1277194007.db2.gz BMTINHXLAPIFNI-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1-c1nnn[n-]1 ZINC001580014788 1277990768 /nfs/dbraw/zinc/99/07/68/1277990768.db2.gz JRIJJHBKAKZMMA-GFCCVEGCSA-N 1 3 361.450 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1-c1nn[n-]n1 ZINC001580014788 1277990772 /nfs/dbraw/zinc/99/07/72/1277990772.db2.gz JRIJJHBKAKZMMA-GFCCVEGCSA-N 1 3 361.450 0.421 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001714705346 1287332540 /nfs/dbraw/zinc/33/25/40/1287332540.db2.gz FAFNXIIMOVKPSH-JHJVBQTASA-N 1 3 364.412 0.538 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001714705346 1287332546 /nfs/dbraw/zinc/33/25/46/1287332546.db2.gz FAFNXIIMOVKPSH-JHJVBQTASA-N 1 3 364.412 0.538 20 0 FCADHO Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013658 1279240218 /nfs/dbraw/zinc/24/02/18/1279240218.db2.gz UVPIAIPLFBKRRP-TZMCWYRMSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013658 1279240222 /nfs/dbraw/zinc/24/02/22/1279240222.db2.gz UVPIAIPLFBKRRP-TZMCWYRMSA-N 1 3 372.477 0.593 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001683308553 1283939051 /nfs/dbraw/zinc/93/90/51/1283939051.db2.gz XKQCBVRPTHAFSI-HUUCEWRRSA-N 1 3 354.495 0.012 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001591104557 1284178169 /nfs/dbraw/zinc/17/81/69/1284178169.db2.gz OOJGMFBINQORFA-QGZVFWFLSA-N 1 3 369.473 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001591104557 1284178172 /nfs/dbraw/zinc/17/81/72/1284178172.db2.gz OOJGMFBINQORFA-QGZVFWFLSA-N 1 3 369.473 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001591178500 1284277523 /nfs/dbraw/zinc/27/75/23/1284277523.db2.gz KQGXOSMNELMVOH-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001591178500 1284277529 /nfs/dbraw/zinc/27/75/29/1284277529.db2.gz KQGXOSMNELMVOH-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001591178500 1284277538 /nfs/dbraw/zinc/27/75/38/1284277538.db2.gz KQGXOSMNELMVOH-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001591178500 1284277543 /nfs/dbraw/zinc/27/75/43/1284277543.db2.gz KQGXOSMNELMVOH-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001703958983 1286167169 /nfs/dbraw/zinc/16/71/69/1286167169.db2.gz NGPFKPPBPIEFHR-BZUAXINKSA-N 1 3 361.490 0.956 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001703958983 1286167175 /nfs/dbraw/zinc/16/71/75/1286167175.db2.gz NGPFKPPBPIEFHR-BZUAXINKSA-N 1 3 361.490 0.956 20 0 FCADHO Cc1cc(NC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001605737786 1288068699 /nfs/dbraw/zinc/06/86/99/1288068699.db2.gz RTJXXUUBFQNIJR-WFASDCNBSA-N 1 3 360.466 0.495 20 0 FCADHO CCOC1CC(CN2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001731365538 1288553147 /nfs/dbraw/zinc/55/31/47/1288553147.db2.gz NJBMKGKKMDNYLH-LWSMDNFKSA-N 1 3 366.550 0.876 20 0 FCADHO CCOC1CC(CN2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001731365538 1288553151 /nfs/dbraw/zinc/55/31/51/1288553151.db2.gz NJBMKGKKMDNYLH-LWSMDNFKSA-N 1 3 366.550 0.876 20 0 FCADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104866 1288663282 /nfs/dbraw/zinc/66/32/82/1288663282.db2.gz RYGANCDULCIZQH-DLBZAZTESA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104866 1288663284 /nfs/dbraw/zinc/66/32/84/1288663284.db2.gz RYGANCDULCIZQH-DLBZAZTESA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104866 1288663286 /nfs/dbraw/zinc/66/32/86/1288663286.db2.gz RYGANCDULCIZQH-DLBZAZTESA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104866 1288663288 /nfs/dbraw/zinc/66/32/88/1288663288.db2.gz RYGANCDULCIZQH-DLBZAZTESA-N 1 3 360.462 0.727 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001692096833 1289398535 /nfs/dbraw/zinc/39/85/35/1289398535.db2.gz HGSSUTLWEQQEIB-VYDXJSESSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001692096833 1289398542 /nfs/dbraw/zinc/39/85/42/1289398542.db2.gz HGSSUTLWEQQEIB-VYDXJSESSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001692319609 1289446425 /nfs/dbraw/zinc/44/64/25/1289446425.db2.gz RKDJJYWKOKKRID-BZUAXINKSA-N 1 3 359.536 0.732 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001692319609 1289446439 /nfs/dbraw/zinc/44/64/39/1289446439.db2.gz RKDJJYWKOKKRID-BZUAXINKSA-N 1 3 359.536 0.732 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309251 1289550073 /nfs/dbraw/zinc/55/00/73/1289550073.db2.gz XJOQUNAVFOCFAS-PEHGNSNYSA-N 1 3 370.497 0.872 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)[C@@H](c2ccccc2)C1 ZINC001699309251 1289550080 /nfs/dbraw/zinc/55/00/80/1289550080.db2.gz XJOQUNAVFOCFAS-PEHGNSNYSA-N 1 3 370.497 0.872 20 0 FCADHO C[C@H](CNCC(=O)NCc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699364025 1289551415 /nfs/dbraw/zinc/55/14/15/1289551415.db2.gz YQOGKKIXLARTCA-IIAWOOMASA-N 1 3 364.465 0.876 20 0 FCADHO C[C@H](CNCC(=O)NCc1ccccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699364025 1289551422 /nfs/dbraw/zinc/55/14/22/1289551422.db2.gz YQOGKKIXLARTCA-IIAWOOMASA-N 1 3 364.465 0.876 20 0 FCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309307 1289551448 /nfs/dbraw/zinc/55/14/48/1289551448.db2.gz XRERHVOSVVQMMO-ISMNZJHXSA-N 1 3 358.486 0.858 20 0 FCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001699309307 1289551453 /nfs/dbraw/zinc/55/14/53/1289551453.db2.gz XRERHVOSVVQMMO-ISMNZJHXSA-N 1 3 358.486 0.858 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739457732 1290033884 /nfs/dbraw/zinc/03/38/84/1290033884.db2.gz CWFMFSGSKZARLQ-IXDOHACOSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OC ZINC001739584228 1290196870 /nfs/dbraw/zinc/19/68/70/1290196870.db2.gz IFEADTOPQIYQCA-HUUCEWRRSA-N 1 3 354.495 0.012 20 0 FCADHO C[NH+]1CCC(CCO)(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC001624474621 1290275261 /nfs/dbraw/zinc/27/52/61/1290275261.db2.gz RRIUASNATIDJAT-UHFFFAOYSA-N 1 3 353.507 0.985 20 0 FCADHO CCOC(=O)C[C@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001652554702 1291284805 /nfs/dbraw/zinc/28/48/05/1291284805.db2.gz HSDTVKSJYPCXIF-INIZCTEOSA-N 1 3 371.522 0.717 20 0 FCADHO C[C@H](O)[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001653481982 1291347586 /nfs/dbraw/zinc/34/75/86/1291347586.db2.gz BUMJWSOLABFZBN-LPHOPBHVSA-N 1 3 363.502 0.688 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001676422622 1292203024 /nfs/dbraw/zinc/20/30/24/1292203024.db2.gz XRHKYKIBYUXODQ-YOEHRIQHSA-N 1 3 354.495 0.242 20 0 FCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1)N(C)C ZINC001688986180 1294560612 /nfs/dbraw/zinc/56/06/12/1294560612.db2.gz DSOOYHJXGJILDU-USXIJHARSA-N 1 3 368.522 0.496 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O)[NH+](CC)CC ZINC001689100248 1294618215 /nfs/dbraw/zinc/61/82/15/1294618215.db2.gz UBELAJJMOBXOBN-ILXRZTDVSA-N 1 3 369.510 0.518 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074659023 837820429 /nfs/dbraw/zinc/82/04/29/837820429.db2.gz UHSURHKRIIDRDA-LUKYLMHMSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074659023 837820443 /nfs/dbraw/zinc/82/04/43/837820443.db2.gz UHSURHKRIIDRDA-LUKYLMHMSA-N 1 3 350.507 0.918 20 0 FCADHO COCCOCCOCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702582934 836099788 /nfs/dbraw/zinc/09/97/88/836099788.db2.gz BFZXIPTULCEDDG-LJQANCHMSA-N 1 3 352.475 0.893 20 0 FCADHO COCCOCCOCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702582934 836099798 /nfs/dbraw/zinc/09/97/98/836099798.db2.gz BFZXIPTULCEDDG-LJQANCHMSA-N 1 3 352.475 0.893 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3(N(C)C)CCC3)CCC2)CC[N@@H+]1C ZINC001063362512 836764743 /nfs/dbraw/zinc/76/47/43/836764743.db2.gz UYFMYWVOEZJDGK-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)C3(N(C)C)CCC3)CCC2)CC[N@H+]1C ZINC001063362512 836764752 /nfs/dbraw/zinc/76/47/52/836764752.db2.gz UYFMYWVOEZJDGK-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051604 844395936 /nfs/dbraw/zinc/39/59/36/844395936.db2.gz AEBIDFVJKLJJKQ-HUUCEWRRSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051604 844395944 /nfs/dbraw/zinc/39/59/44/844395944.db2.gz AEBIDFVJKLJJKQ-HUUCEWRRSA-N 1 3 351.495 0.180 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077779405 839153268 /nfs/dbraw/zinc/15/32/68/839153268.db2.gz LPYLMYXNHNZUSF-KZNAEPCWSA-N 1 3 353.507 0.695 20 0 FCADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079946843 839628581 /nfs/dbraw/zinc/62/85/81/839628581.db2.gz CZIJVERAXSORTE-KBRIMQKVSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079946843 839628585 /nfs/dbraw/zinc/62/85/85/839628585.db2.gz CZIJVERAXSORTE-KBRIMQKVSA-N 1 3 350.507 0.726 20 0 FCADHO CCN(C(=O)[C@@H](C(C)C)N(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080189540 839679429 /nfs/dbraw/zinc/67/94/29/839679429.db2.gz YVLWGBSKCQSBJU-DJIMGWMZSA-N 1 3 352.523 0.972 20 0 FCADHO CCN(C(=O)[C@@H](C(C)C)N(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080189540 839679436 /nfs/dbraw/zinc/67/94/36/839679436.db2.gz YVLWGBSKCQSBJU-DJIMGWMZSA-N 1 3 352.523 0.972 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383836 839714328 /nfs/dbraw/zinc/71/43/28/839714328.db2.gz ZPOTXMJRIZMWLG-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080558340 839747457 /nfs/dbraw/zinc/74/74/57/839747457.db2.gz RCLGPSDZJQVXJV-BFYDXBDKSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080558340 839747463 /nfs/dbraw/zinc/74/74/63/839747463.db2.gz RCLGPSDZJQVXJV-BFYDXBDKSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370128 844478341 /nfs/dbraw/zinc/47/83/41/844478341.db2.gz RQYOAZGFFGBHQR-ZMSDIMECSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370128 844478345 /nfs/dbraw/zinc/47/83/45/844478345.db2.gz RQYOAZGFFGBHQR-ZMSDIMECSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430424 844497185 /nfs/dbraw/zinc/49/71/85/844497185.db2.gz PWTDXIKDNRMQCJ-NVXWUHKLSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082558892 840465530 /nfs/dbraw/zinc/46/55/30/840465530.db2.gz KTMZEUZRMRMYCS-QGPMSJSTSA-N 1 3 350.507 0.776 20 0 FCADHO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)n1 ZINC001082575016 840473171 /nfs/dbraw/zinc/47/31/71/840473171.db2.gz GIGQQSBTRAAQBE-XYPHTWIQSA-N 1 3 350.511 0.918 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)N(C)C ZINC001082747529 840545648 /nfs/dbraw/zinc/54/56/48/840545648.db2.gz YJXMQZPATOIHEA-BMFZPTHFSA-N 1 3 359.536 0.588 20 0 FCADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596426 844587642 /nfs/dbraw/zinc/58/76/42/844587642.db2.gz FJJWGJOVNNARHH-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472566 841046507 /nfs/dbraw/zinc/04/65/07/841046507.db2.gz FEFJNRWZJBDALK-DDBAPUKQSA-N 1 3 353.507 0.695 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472566 841046514 /nfs/dbraw/zinc/04/65/14/841046514.db2.gz FEFJNRWZJBDALK-DDBAPUKQSA-N 1 3 353.507 0.695 20 0 FCADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654828 841281424 /nfs/dbraw/zinc/28/14/24/841281424.db2.gz IOWCNNMLFGTGBR-XFHVWQCUSA-N 1 3 351.491 0.447 20 0 FCADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654828 841281429 /nfs/dbraw/zinc/28/14/29/841281429.db2.gz IOWCNNMLFGTGBR-XFHVWQCUSA-N 1 3 351.491 0.447 20 0 FCADHO CCNC(=O)CN1CC[C@@]2(CCCN2CC2(C)CC[NH+](C)CC2)C1=O ZINC001275834189 861219569 /nfs/dbraw/zinc/21/95/69/861219569.db2.gz ZOMLHWSBXOEVIE-IBGZPJMESA-N 1 3 350.507 0.921 20 0 FCADHO CCNC(=O)CN1CC[C@@]2(CCCN2CC2CC[NH+](CC)CC2)C1=O ZINC001275879326 861244296 /nfs/dbraw/zinc/24/42/96/861244296.db2.gz NANJQHVDIUXIGG-IBGZPJMESA-N 1 3 350.507 0.921 20 0 FCADHO CC(=O)N1CCC(C[N@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)CC1 ZINC001275892509 861250280 /nfs/dbraw/zinc/25/02/80/861250280.db2.gz DDNLODLYJLOSKZ-LJQANCHMSA-N 1 3 350.507 0.873 20 0 FCADHO CC(=O)N1CCC(C[N@@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)CC1 ZINC001275892509 861250286 /nfs/dbraw/zinc/25/02/86/861250286.db2.gz DDNLODLYJLOSKZ-LJQANCHMSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001086784952 842173322 /nfs/dbraw/zinc/17/33/22/842173322.db2.gz CRBUJFJUYJXCMO-LZWOXQAQSA-N 1 3 351.451 0.553 20 0 FCADHO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnon3)C2)C1 ZINC001086784952 842173326 /nfs/dbraw/zinc/17/33/26/842173326.db2.gz CRBUJFJUYJXCMO-LZWOXQAQSA-N 1 3 351.451 0.553 20 0 FCADHO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnon3)C2)C1 ZINC001086784952 842173331 /nfs/dbraw/zinc/17/33/31/842173331.db2.gz CRBUJFJUYJXCMO-LZWOXQAQSA-N 1 3 351.451 0.553 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087059029 842254087 /nfs/dbraw/zinc/25/40/87/842254087.db2.gz MZQKPNAYLYPOQP-GVDBMIGSSA-N 1 3 353.507 0.960 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087101209 842291200 /nfs/dbraw/zinc/29/12/00/842291200.db2.gz YNFMDMVTRKJSBI-UMVBOHGHSA-N 1 3 353.492 0.443 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087101209 842291208 /nfs/dbraw/zinc/29/12/08/842291208.db2.gz YNFMDMVTRKJSBI-UMVBOHGHSA-N 1 3 353.492 0.443 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087101208 842291892 /nfs/dbraw/zinc/29/18/92/842291892.db2.gz YNFMDMVTRKJSBI-GZBFAFLISA-N 1 3 353.492 0.443 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087101208 842291903 /nfs/dbraw/zinc/29/19/03/842291903.db2.gz YNFMDMVTRKJSBI-GZBFAFLISA-N 1 3 353.492 0.443 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092604846 843249616 /nfs/dbraw/zinc/24/96/16/843249616.db2.gz PPSRCWGXKSKWKN-INMHGKMJSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092604846 843249627 /nfs/dbraw/zinc/24/96/27/843249627.db2.gz PPSRCWGXKSKWKN-INMHGKMJSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721426 843285742 /nfs/dbraw/zinc/28/57/42/843285742.db2.gz MOTKZPFYLLYKPX-OAGGEKHMSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937104 843348540 /nfs/dbraw/zinc/34/85/40/843348540.db2.gz OLYBJQWXPPZAQD-BFYDXBDKSA-N 1 3 371.547 0.447 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097518 843387664 /nfs/dbraw/zinc/38/76/64/843387664.db2.gz GRJONPSTXAWCDY-BFYDXBDKSA-N 1 3 352.523 0.925 20 0 FCADHO Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093195620 843405029 /nfs/dbraw/zinc/40/50/29/843405029.db2.gz SEDVHSCGWTYUKR-FVQBIDKESA-N 1 3 366.531 0.854 20 0 FCADHO Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093195620 843405042 /nfs/dbraw/zinc/40/50/42/843405042.db2.gz SEDVHSCGWTYUKR-FVQBIDKESA-N 1 3 366.531 0.854 20 0 FCADHO CC(C)[C@H]1N(C(=O)C2(N(C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093448542 843433825 /nfs/dbraw/zinc/43/38/25/843433825.db2.gz APTYFTYUJSDOIO-KONPQCLYSA-N 1 3 353.507 0.429 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094043889 843507771 /nfs/dbraw/zinc/50/77/71/843507771.db2.gz BHTTVQVTTZHPBJ-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049887 844690487 /nfs/dbraw/zinc/69/04/87/844690487.db2.gz JIUWFNPBALVGLX-OAGGEKHMSA-N 1 3 358.502 0.829 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049887 844690490 /nfs/dbraw/zinc/69/04/90/844690490.db2.gz JIUWFNPBALVGLX-OAGGEKHMSA-N 1 3 358.502 0.829 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049886 844690650 /nfs/dbraw/zinc/69/06/50/844690650.db2.gz JIUWFNPBALVGLX-BZUAXINKSA-N 1 3 358.502 0.829 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001103049886 844690651 /nfs/dbraw/zinc/69/06/51/844690651.db2.gz JIUWFNPBALVGLX-BZUAXINKSA-N 1 3 358.502 0.829 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083848 844697919 /nfs/dbraw/zinc/69/79/19/844697919.db2.gz LTALXOBTURMFER-ZACQAIPSSA-N 1 3 352.523 0.785 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083848 844697924 /nfs/dbraw/zinc/69/79/24/844697924.db2.gz LTALXOBTURMFER-ZACQAIPSSA-N 1 3 352.523 0.785 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090543 844699418 /nfs/dbraw/zinc/69/94/18/844699418.db2.gz XUEFPXTWXZJZNQ-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090543 844699424 /nfs/dbraw/zinc/69/94/24/844699424.db2.gz XUEFPXTWXZJZNQ-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001103249859 844727151 /nfs/dbraw/zinc/72/71/51/844727151.db2.gz VAJJXUQULCYACI-LDBBTLTOSA-N 1 3 351.491 0.306 20 0 FCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001103249859 844727155 /nfs/dbraw/zinc/72/71/55/844727155.db2.gz VAJJXUQULCYACI-LDBBTLTOSA-N 1 3 351.491 0.306 20 0 FCADHO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438438 844759209 /nfs/dbraw/zinc/75/92/09/844759209.db2.gz IYRPDYGSXSOFGZ-HZPDHXFCSA-N 1 3 352.523 0.929 20 0 FCADHO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438438 844759219 /nfs/dbraw/zinc/75/92/19/844759219.db2.gz IYRPDYGSXSOFGZ-HZPDHXFCSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103550546 844778031 /nfs/dbraw/zinc/77/80/31/844778031.db2.gz WBPQUSXTZYQZBY-HZPDHXFCSA-N 1 3 353.511 0.428 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103550546 844778042 /nfs/dbraw/zinc/77/80/42/844778042.db2.gz WBPQUSXTZYQZBY-HZPDHXFCSA-N 1 3 353.511 0.428 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642282 844793217 /nfs/dbraw/zinc/79/32/17/844793217.db2.gz YADSDFCJRDAZSW-HZPDHXFCSA-N 1 3 356.511 0.163 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103644587 844794028 /nfs/dbraw/zinc/79/40/28/844794028.db2.gz HBTXQYDBQDTNAH-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103644587 844794032 /nfs/dbraw/zinc/79/40/32/844794032.db2.gz HBTXQYDBQDTNAH-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719194 844806775 /nfs/dbraw/zinc/80/67/75/844806775.db2.gz UNFMMQDARIDYOE-ZACQAIPSSA-N 1 3 352.523 0.929 20 0 FCADHO CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719194 844806781 /nfs/dbraw/zinc/80/67/81/844806781.db2.gz UNFMMQDARIDYOE-ZACQAIPSSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104294389 844891337 /nfs/dbraw/zinc/89/13/37/844891337.db2.gz NEKGAVTUVIWUIT-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001104680099 844932436 /nfs/dbraw/zinc/93/24/36/844932436.db2.gz PHPVAULGWKVVFX-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104676828 844932586 /nfs/dbraw/zinc/93/25/86/844932586.db2.gz ZNRXMQVEWJNTNB-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104809986 844946652 /nfs/dbraw/zinc/94/66/52/844946652.db2.gz UPOZQMDHJBRZKL-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104938340 844961745 /nfs/dbraw/zinc/96/17/45/844961745.db2.gz UQURKDACHOLCOF-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO CC(C)[C@@H]1N(C(=O)COCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105668035 845015025 /nfs/dbraw/zinc/01/50/25/845015025.db2.gz VZEGAWFPUMUKIL-LMSBXDPUSA-N 1 3 359.486 0.500 20 0 FCADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCOC)C2)[C@H]1C(C)C ZINC001105669054 845015818 /nfs/dbraw/zinc/01/58/18/845015818.db2.gz PBTJNKCYGGAGRU-RWQQGDIJSA-N 1 3 355.523 0.941 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676299 845018118 /nfs/dbraw/zinc/01/81/18/845018118.db2.gz VLVZYCJZNVJIDF-RWQQGDIJSA-N 1 3 355.523 0.675 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106198577 845129731 /nfs/dbraw/zinc/12/97/31/845129731.db2.gz FZCMTWGMTKHQHT-FMKPAKJESA-N 1 3 354.474 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106249497 845143412 /nfs/dbraw/zinc/14/34/12/845143412.db2.gz JICPRJSUECWFAI-FVQBIDKESA-N 1 3 351.495 0.036 20 0 FCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(=O)N(C)C ZINC001106668479 845219999 /nfs/dbraw/zinc/21/99/99/845219999.db2.gz MIEDRTCJGVEPHL-BZUAXINKSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106672186 845221357 /nfs/dbraw/zinc/22/13/57/845221357.db2.gz IVIPHEIMVYYAEU-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNCc1ncnn1C ZINC001106673325 845222248 /nfs/dbraw/zinc/22/22/48/845222248.db2.gz VOIHIBJJRBGSAN-HUUCEWRRSA-N 1 3 350.511 0.977 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CNCc1ncnn1C ZINC001106673325 845222254 /nfs/dbraw/zinc/22/22/54/845222254.db2.gz VOIHIBJJRBGSAN-HUUCEWRRSA-N 1 3 350.511 0.977 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106779604 845250514 /nfs/dbraw/zinc/25/05/14/845250514.db2.gz SHZQTGINUGTHAR-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106784084 845251896 /nfs/dbraw/zinc/25/18/96/845251896.db2.gz AZPIXGOXHQEDEF-ZIAGYGMSSA-N 1 3 351.451 0.639 20 0 FCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106798606 845255458 /nfs/dbraw/zinc/25/54/58/845255458.db2.gz MOXZSIUAXANCGF-IXDOHACOSA-N 1 3 352.523 0.879 20 0 FCADHO CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438703 845373152 /nfs/dbraw/zinc/37/31/52/845373152.db2.gz HJPGHHSFZVLELX-HHXXYDBFSA-N 1 3 350.507 0.824 20 0 FCADHO CN(C(=O)CN1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12)C1CC1 ZINC001107530702 845392217 /nfs/dbraw/zinc/39/22/17/845392217.db2.gz HKKSRCKFOWCSEV-VQIMIIECSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107546676 845396321 /nfs/dbraw/zinc/39/63/21/845396321.db2.gz LHRNIBIDCXTJEO-YQVWRLOYSA-N 1 3 353.507 0.698 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107546676 845396332 /nfs/dbraw/zinc/39/63/32/845396332.db2.gz LHRNIBIDCXTJEO-YQVWRLOYSA-N 1 3 353.507 0.698 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442871 845654253 /nfs/dbraw/zinc/65/42/53/845654253.db2.gz KKTMXAYODPXONG-NCOADZHNSA-N 1 3 351.491 0.591 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798132 861613042 /nfs/dbraw/zinc/61/30/42/861613042.db2.gz AYKDBNXPTOTROQ-CRAIPNDOSA-N 1 3 357.495 0.027 20 0 FCADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159889 846425998 /nfs/dbraw/zinc/42/59/98/846425998.db2.gz GGKFOCQYVMJQKJ-REWJHTLYSA-N 1 3 369.428 0.559 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)[NH+]1CCCC1 ZINC001112167860 846431864 /nfs/dbraw/zinc/43/18/64/846431864.db2.gz JLVOLAQZINTFNR-BFHYXJOUSA-N 1 3 367.412 0.459 20 0 FCADHO CO[C@H](C)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193989 846452746 /nfs/dbraw/zinc/45/27/46/846452746.db2.gz GTSMAFZMRPIJEH-JHJVBQTASA-N 1 3 355.401 0.578 20 0 FCADHO CC[C@@H](CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)OC ZINC001112194317 846454430 /nfs/dbraw/zinc/45/44/30/846454430.db2.gz YMHRPUJOHSQTRH-BFHYXJOUSA-N 1 3 369.428 0.969 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001112198290 846456165 /nfs/dbraw/zinc/45/61/65/846456165.db2.gz NBZKUDWEQJGOJZ-YNEHKIRRSA-N 1 3 355.401 0.314 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413235 846501962 /nfs/dbraw/zinc/50/19/62/846501962.db2.gz DQMJCZYVXDNLHX-IEZWGBDMSA-N 1 3 352.523 0.927 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529562 846516046 /nfs/dbraw/zinc/51/60/46/846516046.db2.gz GASGRCIASIEUJP-GJYPPUQNSA-N 1 3 350.507 0.825 20 0 FCADHO CS(=O)(=O)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535812 846517411 /nfs/dbraw/zinc/51/74/11/846517411.db2.gz BQCVXYLBKYRSOH-YOEHRIQHSA-N 1 3 368.503 0.605 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112540238 846518733 /nfs/dbraw/zinc/51/87/33/846518733.db2.gz MRDJPOIMQYGRAB-FCEWJHQRSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H](O)CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)CO ZINC001116719670 846746108 /nfs/dbraw/zinc/74/61/08/846746108.db2.gz NPMCXQMISHTTGF-HUUCEWRRSA-N 1 3 356.511 0.318 20 0 FCADHO C[C@H](CO)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276973553 861718410 /nfs/dbraw/zinc/71/84/10/861718410.db2.gz DWZHSGVAISMMTK-PKOBYXMFSA-N 1 3 352.523 0.177 20 0 FCADHO C[C@H](CO)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276973553 861718417 /nfs/dbraw/zinc/71/84/17/861718417.db2.gz DWZHSGVAISMMTK-PKOBYXMFSA-N 1 3 352.523 0.177 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCN2CCC(C)(C)C2)n1 ZINC001121142531 848322641 /nfs/dbraw/zinc/32/26/41/848322641.db2.gz DRNNDMMQJOLQKE-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FCADHO CCN1C[C@@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@H]1C ZINC001121362755 848343897 /nfs/dbraw/zinc/34/38/97/848343897.db2.gz QGWDSPBWAOAJMI-HUUCEWRRSA-N 1 3 350.511 0.906 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2cccs2)CC[N@@H+]1C ZINC001127701472 848732550 /nfs/dbraw/zinc/73/25/50/848732550.db2.gz PQGMKKCSVFDQPG-LSDHHAIUSA-N 1 3 352.504 0.800 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2cccs2)CC[N@H+]1C ZINC001127701472 848732559 /nfs/dbraw/zinc/73/25/59/848732559.db2.gz PQGMKKCSVFDQPG-LSDHHAIUSA-N 1 3 352.504 0.800 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129837466 848902113 /nfs/dbraw/zinc/90/21/13/848902113.db2.gz DXYGFOYTIQLWRQ-OAGGEKHMSA-N 1 3 352.458 0.852 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910426 848914025 /nfs/dbraw/zinc/91/40/25/848914025.db2.gz SLEGARWWMGCPAX-OAGGEKHMSA-N 1 3 352.483 0.386 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910503 848914132 /nfs/dbraw/zinc/91/41/32/848914132.db2.gz WDHPSPIZPBYCKH-OAGGEKHMSA-N 1 3 352.483 0.385 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130014235 848930745 /nfs/dbraw/zinc/93/07/45/848930745.db2.gz FXJWUMBRAYZJLU-OAGGEKHMSA-N 1 3 350.467 0.140 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130047890 848936383 /nfs/dbraw/zinc/93/63/83/848936383.db2.gz YHRBLLULONKMFZ-XHSDSOJGSA-N 1 3 352.483 0.122 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[n-]1 ZINC001130249294 848988789 /nfs/dbraw/zinc/98/87/89/848988789.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 1 3 352.483 0.635 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[n-]1 ZINC001130249294 848988794 /nfs/dbraw/zinc/98/87/94/848988794.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 1 3 352.483 0.635 20 0 FCADHO CN(CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)CC(C)(C)C ZINC001131074147 849077451 /nfs/dbraw/zinc/07/74/51/849077451.db2.gz WNCDYGXCLDONLE-HUUCEWRRSA-N 1 3 351.495 0.274 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001131115773 849080691 /nfs/dbraw/zinc/08/06/91/849080691.db2.gz ZZDZEZLRQDZANO-ARFHVFGLSA-N 1 3 351.495 0.681 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131130707 849082024 /nfs/dbraw/zinc/08/20/24/849082024.db2.gz ZMFANCLEWVCSMR-HZPDHXFCSA-N 1 3 351.495 0.681 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131562502 849123755 /nfs/dbraw/zinc/12/37/55/849123755.db2.gz VVJONBOLSCEWTF-WDYCEAGBSA-N 1 3 353.507 0.839 20 0 FCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001142680758 849458515 /nfs/dbraw/zinc/45/85/15/849458515.db2.gz DFUSRFRTINALEZ-WNZSCWOMSA-N 1 3 357.495 0.692 20 0 FCADHO CCCCOC[C@@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778927 862075353 /nfs/dbraw/zinc/07/53/53/862075353.db2.gz VEQNWNGJKMOZDO-WMZOPIPTSA-N 1 3 357.495 0.029 20 0 FCADHO CCCCOC[C@@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778925 862076784 /nfs/dbraw/zinc/07/67/84/862076784.db2.gz VEQNWNGJKMOZDO-FUHWJXTLSA-N 1 3 357.495 0.029 20 0 FCADHO CCOc1ccccc1N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001157616770 849984876 /nfs/dbraw/zinc/98/48/76/849984876.db2.gz XRABWWZYWHDRHF-AWEZNQCLSA-N 1 3 352.504 0.753 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191289 850023652 /nfs/dbraw/zinc/02/36/52/850023652.db2.gz OMPKQRVHNBUDKJ-FEPWIYDJSA-N 1 3 356.536 0.547 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250512 850029087 /nfs/dbraw/zinc/02/90/87/850029087.db2.gz UMJRBQYACGLWMD-YCINEILWSA-N 1 3 355.426 0.758 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCNCc2cnns2)CC1 ZINC001158282205 850033680 /nfs/dbraw/zinc/03/36/80/850033680.db2.gz NMOBLVRTBSJRJK-CVEARBPZSA-N 1 3 367.519 0.881 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC(F)F)C2 ZINC001158379930 850041252 /nfs/dbraw/zinc/04/12/52/850041252.db2.gz GNHRMDITLAQXRW-AQUOVQTQSA-N 1 3 373.322 0.513 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160920 850098218 /nfs/dbraw/zinc/09/82/18/850098218.db2.gz VRHHZXZPRDWKIA-QWJLCTJOSA-N 1 3 359.536 0.621 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159191532 850099453 /nfs/dbraw/zinc/09/94/53/850099453.db2.gz IACAXEKXXFCQPL-HOCLYGCPSA-N 1 3 367.519 0.287 20 0 FCADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001159481158 850117620 /nfs/dbraw/zinc/11/76/20/850117620.db2.gz IHQBZDKFWHKZFH-DWJUFWINSA-N 1 3 371.547 0.289 20 0 FCADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001159481158 850117626 /nfs/dbraw/zinc/11/76/26/850117626.db2.gz IHQBZDKFWHKZFH-DWJUFWINSA-N 1 3 371.547 0.289 20 0 FCADHO N[C@@H](CCC[NH3+])NC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001159780378 850136132 /nfs/dbraw/zinc/13/61/32/850136132.db2.gz ZEYBSQNYRPWZDX-SNVBAGLBSA-N 1 3 350.801 0.629 20 0 FCADHO COC[C@H]1COCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001160057106 850150687 /nfs/dbraw/zinc/15/06/87/850150687.db2.gz GEZRAGCIWDLZCZ-JTDSTZFVSA-N 1 3 351.491 0.477 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506175 850177650 /nfs/dbraw/zinc/17/76/50/850177650.db2.gz JCWHEMPYLWPGLS-LBPRGKRZSA-N 1 3 351.838 0.309 20 0 FCADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2 ZINC001160906007 850212876 /nfs/dbraw/zinc/21/28/76/850212876.db2.gz YOQMEGMZBPPYKO-ZDUSSCGKSA-N 1 3 351.451 0.508 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2)ncn1 ZINC001161093678 850230085 /nfs/dbraw/zinc/23/00/85/850230085.db2.gz VCXOWRZCULWVBB-AWEZNQCLSA-N 1 3 350.467 0.193 20 0 FCADHO O=C([C@@H]1CCN1)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354975 850252784 /nfs/dbraw/zinc/25/27/84/850252784.db2.gz TTXZCGVBZSNNCC-AWEZNQCLSA-N 1 3 350.444 0.194 20 0 FCADHO N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380366 850255810 /nfs/dbraw/zinc/25/58/10/850255810.db2.gz VEKREKGCZZTULU-IRXDYDNUSA-N 1 3 352.429 0.859 20 0 FCADHO CN[C@H](C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1)[C@@H](C)OC(C)(C)C ZINC001161479639 850262562 /nfs/dbraw/zinc/26/25/62/850262562.db2.gz QFSROTBERLRTHM-ZXTQRBJTSA-N 1 3 355.479 0.532 20 0 FCADHO CCOC(=O)c1cnc([S@@](C)=O)nc1NC(=[NH2+])NCCN(CC)CC ZINC001163129411 850356483 /nfs/dbraw/zinc/35/64/83/850356483.db2.gz WVLUHZVLUJDBHE-RUZDIDTESA-N 1 3 370.479 0.669 20 0 FCADHO Cc1nc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc(N2CCOCC2)n1 ZINC001170271036 850648904 /nfs/dbraw/zinc/64/89/04/850648904.db2.gz SANDYEWHWJVJRO-CKEIUWERSA-N 1 3 351.451 0.758 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@H]1COC(C)(C)C1)CC2 ZINC001172282406 850709831 /nfs/dbraw/zinc/70/98/31/850709831.db2.gz AAUNQOQKJPJSKH-MRXNPFEDSA-N 1 3 352.523 0.724 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001182676178 851190594 /nfs/dbraw/zinc/19/05/94/851190594.db2.gz DDKQJETYSWCXPM-IJLUTSLNSA-N 1 3 350.385 0.196 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001182676178 851190599 /nfs/dbraw/zinc/19/05/99/851190599.db2.gz DDKQJETYSWCXPM-IJLUTSLNSA-N 1 3 350.385 0.196 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001182692324 851192898 /nfs/dbraw/zinc/19/28/98/851192898.db2.gz IRKWSWZKYWRPDC-IXDOHACOSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001182692324 851192905 /nfs/dbraw/zinc/19/29/05/851192905.db2.gz IRKWSWZKYWRPDC-IXDOHACOSA-N 1 3 350.507 0.824 20 0 FCADHO C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CCCC1 ZINC001188690937 851720304 /nfs/dbraw/zinc/72/03/04/851720304.db2.gz SWGXHWCWQYQNAM-DLBZAZTESA-N 1 3 353.507 0.793 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188978604 851739082 /nfs/dbraw/zinc/73/90/82/851739082.db2.gz AAWYKOAVOIAKMX-DLBZAZTESA-N 1 3 354.495 0.014 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001189811327 851827348 /nfs/dbraw/zinc/82/73/48/851827348.db2.gz XKCSRMCTXPSFMQ-GOEBONIOSA-N 1 3 352.504 0.797 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001190480805 851911014 /nfs/dbraw/zinc/91/10/14/851911014.db2.gz LOIZYFPOKGEDAH-ZWKOTPCHSA-N 1 3 353.507 0.794 20 0 FCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066808 852348955 /nfs/dbraw/zinc/34/89/55/852348955.db2.gz IQPSXBAYFZYIPF-IAGOWNOFSA-N 1 3 351.495 0.656 20 0 FCADHO CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194832753 852658582 /nfs/dbraw/zinc/65/85/82/852658582.db2.gz RXTMNLACVNMOGS-RVKOJVRFSA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194832753 852658584 /nfs/dbraw/zinc/65/85/84/852658584.db2.gz RXTMNLACVNMOGS-RVKOJVRFSA-N 1 3 351.491 0.447 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001197948866 853189723 /nfs/dbraw/zinc/18/97/23/853189723.db2.gz MKPIOGUZIKTTFK-KZNAEPCWSA-N 1 3 355.523 0.821 20 0 FCADHO CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057449 853361634 /nfs/dbraw/zinc/36/16/34/853361634.db2.gz JXXOPCZXPGBRTD-KZNAEPCWSA-N 1 3 353.507 0.839 20 0 FCADHO CC(=O)N1CCC[C@@H](C[NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)C1 ZINC001208983578 853986625 /nfs/dbraw/zinc/98/66/25/853986625.db2.gz UEPVBBJWAOTUQY-INIZCTEOSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829887 854056912 /nfs/dbraw/zinc/05/69/12/854056912.db2.gz MCJWMNURDACJAC-CRAIPNDOSA-N 1 3 353.507 0.960 20 0 FCADHO CC[C@@H](CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1)OC ZINC001213638555 854694444 /nfs/dbraw/zinc/69/44/44/854694444.db2.gz UBSCPSQLNZHQSP-USXIJHARSA-N 1 3 357.495 0.338 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213678123 854712381 /nfs/dbraw/zinc/71/23/81/854712381.db2.gz FTQYFXPFGDGWOY-BRWVUGGUSA-N 1 3 357.495 0.339 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213678123 854712389 /nfs/dbraw/zinc/71/23/89/854712389.db2.gz FTQYFXPFGDGWOY-BRWVUGGUSA-N 1 3 357.495 0.339 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001214755094 855002439 /nfs/dbraw/zinc/00/24/39/855002439.db2.gz RFYODNYISQXLGD-OWCLPIDISA-N 1 3 358.502 0.875 20 0 FCADHO C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C1CC1 ZINC001214847848 855022379 /nfs/dbraw/zinc/02/23/79/855022379.db2.gz VHEBWMWKAQPYKV-IJEWVQPXSA-N 1 3 350.507 0.822 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855758 855023200 /nfs/dbraw/zinc/02/32/00/855023200.db2.gz NFIOZHLRGURLIZ-BMFZPTHFSA-N 1 3 359.536 0.588 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214855240 855023383 /nfs/dbraw/zinc/02/33/83/855023383.db2.gz AUFGSGUSWPKBLH-MPKXVKKWSA-N 1 3 364.412 0.442 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948408 855039049 /nfs/dbraw/zinc/03/90/49/855039049.db2.gz NYVGHAWMTOERBR-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001215003797 855051024 /nfs/dbraw/zinc/05/10/24/855051024.db2.gz KLLLABNZAHHFSQ-HUUCEWRRSA-N 1 3 356.511 0.306 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001215003797 855051034 /nfs/dbraw/zinc/05/10/34/855051034.db2.gz KLLLABNZAHHFSQ-HUUCEWRRSA-N 1 3 356.511 0.306 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215036279 855057079 /nfs/dbraw/zinc/05/70/79/855057079.db2.gz VEYUCDHDBRYRPD-DJIMGWMZSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215036279 855057082 /nfs/dbraw/zinc/05/70/82/855057082.db2.gz VEYUCDHDBRYRPD-DJIMGWMZSA-N 1 3 350.507 0.822 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224350 855084484 /nfs/dbraw/zinc/08/44/84/855084484.db2.gz OLWXTQWSQMGZRD-QGPMSJSTSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215453846 855117219 /nfs/dbraw/zinc/11/72/19/855117219.db2.gz VBUWVOFNTKAINB-DGCLKSJQSA-N 1 3 364.412 0.443 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCCN3CCCC3=O)C2)C1 ZINC001215539864 855126319 /nfs/dbraw/zinc/12/63/19/855126319.db2.gz AVRHXKOLYWYYKH-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001215544263 855127346 /nfs/dbraw/zinc/12/73/46/855127346.db2.gz MRVHWCKYTHNYJU-JHJVBQTASA-N 1 3 364.412 0.443 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216002620 855163986 /nfs/dbraw/zinc/16/39/86/855163986.db2.gz XOVKUCOVHPOYHU-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001215998853 855164012 /nfs/dbraw/zinc/16/40/12/855164012.db2.gz FNGABSXNVJOYNE-HUUCEWRRSA-N 1 3 359.536 0.590 20 0 FCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053415 855166609 /nfs/dbraw/zinc/16/66/09/855166609.db2.gz LWUPCDLQULOAQY-IAGOWNOFSA-N 1 3 352.523 0.927 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1 ZINC001216217560 855180428 /nfs/dbraw/zinc/18/04/28/855180428.db2.gz YWLQJWBLIQUMAR-GDBMZVCRSA-N 1 3 350.463 0.674 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1 ZINC001216217560 855180431 /nfs/dbraw/zinc/18/04/31/855180431.db2.gz YWLQJWBLIQUMAR-GDBMZVCRSA-N 1 3 350.463 0.674 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463878 855205323 /nfs/dbraw/zinc/20/53/23/855205323.db2.gz KBLRVMZYRINGIV-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1 ZINC001216515031 855210836 /nfs/dbraw/zinc/21/08/36/855210836.db2.gz NDQYHDMQCJELEO-UKRRQHHQSA-N 1 3 351.447 0.927 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216841070 855255099 /nfs/dbraw/zinc/25/50/99/855255099.db2.gz OIFLSZWJFKYFRK-BFYDXBDKSA-N 1 3 350.507 0.966 20 0 FCADHO N[C@H](C(=O)Nc1nc(Br)cn2ccnc12)C1CC[NH2+]CC1 ZINC001218562975 855439306 /nfs/dbraw/zinc/43/93/06/855439306.db2.gz ABUFKCOIFHVYAW-JTQLQIEISA-N 1 3 353.224 0.757 20 0 FCADHO O=C(Nc1nc(Br)cn2ccnc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001218563352 855439412 /nfs/dbraw/zinc/43/94/12/855439412.db2.gz KUZXCDMATKVSNL-QMMMGPOBSA-N 1 3 351.208 0.239 20 0 FCADHO NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218666535 855460343 /nfs/dbraw/zinc/46/03/43/855460343.db2.gz OGWOZNYCLXYJSV-NXSYQRQQSA-N 1 3 358.229 0.625 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580712 855721515 /nfs/dbraw/zinc/72/15/15/855721515.db2.gz QSWYKGAQNBQFKL-RWMBFGLXSA-N 1 3 360.252 0.026 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732172 855789821 /nfs/dbraw/zinc/78/98/21/855789821.db2.gz PKIKIYLWVPTUIG-BBWFWOEESA-N 1 3 359.486 0.644 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732172 855789831 /nfs/dbraw/zinc/78/98/31/855789831.db2.gz PKIKIYLWVPTUIG-BBWFWOEESA-N 1 3 359.486 0.644 20 0 FCADHO CCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794913 855816296 /nfs/dbraw/zinc/81/62/96/855816296.db2.gz SNHDXMGKFSMAPO-KURKYZTESA-N 1 3 353.507 0.981 20 0 FCADHO CCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794913 855816302 /nfs/dbraw/zinc/81/63/02/855816302.db2.gz SNHDXMGKFSMAPO-KURKYZTESA-N 1 3 353.507 0.981 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001219847459 855843948 /nfs/dbraw/zinc/84/39/48/855843948.db2.gz IARKILUVIULFGN-LUKYLMHMSA-N 1 3 365.499 0.891 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867833 855854144 /nfs/dbraw/zinc/85/41/44/855854144.db2.gz SGUNVWKBHIANNL-SJORKVTESA-N 1 3 353.507 0.840 20 0 FCADHO CCCn1c(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc(=O)n(CCC)c1=O ZINC001220424926 856119760 /nfs/dbraw/zinc/11/97/60/856119760.db2.gz YXNHFYXRJWIIST-OAHLLOKOSA-N 1 3 351.451 0.095 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCC1([NH3+])CCCC1 ZINC001220497382 856155028 /nfs/dbraw/zinc/15/50/28/856155028.db2.gz UDQPXLXRLQHWLF-IHRRRGAJSA-N 1 3 358.552 0.985 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nccc(Cl)n1 ZINC001220530256 856169729 /nfs/dbraw/zinc/16/97/29/856169729.db2.gz OQRTYLLSHXVCCL-RYUDHWBXSA-N 1 3 368.869 0.194 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608234 856204259 /nfs/dbraw/zinc/20/42/59/856204259.db2.gz SNCUIOZINWXEBU-UONOGXRCSA-N 1 3 366.263 0.869 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607900 856204440 /nfs/dbraw/zinc/20/44/40/856204440.db2.gz PLVZWIIVCTZGKK-VXGBXAGGSA-N 1 3 372.267 0.341 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(C(F)(F)F)CC1 ZINC001220838574 856332475 /nfs/dbraw/zinc/33/24/75/856332475.db2.gz VNVLYWRLNVCSBD-QWRGUYRKSA-N 1 3 350.385 0.645 20 0 FCADHO N[C@H](Cc1c[nH]cn1)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870199 856348868 /nfs/dbraw/zinc/34/88/68/856348868.db2.gz IXIDKORBJQNMKG-LLVKDONJSA-N 1 3 353.224 0.043 20 0 FCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001220898561 856362881 /nfs/dbraw/zinc/36/28/81/856362881.db2.gz NOKHUHUAQIDSPP-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO N[C@H](C(=O)NC1CCN(C(=O)NC2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001220909248 856369293 /nfs/dbraw/zinc/36/92/93/856369293.db2.gz PLJRAJIZJNXJDW-INIZCTEOSA-N 1 3 351.495 0.546 20 0 FCADHO COc1ccc(F)c(CN2CCC(NC(=O)[C@@H]3C[C@H]([NH3+])CN3)CC2)c1 ZINC001220910997 856370591 /nfs/dbraw/zinc/37/05/91/856370591.db2.gz BVVSONWKLPSRFL-GUYCJALGSA-N 1 3 350.438 0.604 20 0 FCADHO COc1ccc(F)c(CN2CCC(NC(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC2)c1 ZINC001220910997 856370600 /nfs/dbraw/zinc/37/06/00/856370600.db2.gz BVVSONWKLPSRFL-GUYCJALGSA-N 1 3 350.438 0.604 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221073537 856449653 /nfs/dbraw/zinc/44/96/53/856449653.db2.gz ZTDTZSGXTYCXOY-KURKYZTESA-N 1 3 353.507 0.983 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001221154206 856487041 /nfs/dbraw/zinc/48/70/41/856487041.db2.gz GXUMJDQEFPTIMN-KSZLIROESA-N 1 3 353.507 0.983 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NC2(CO)CC[NH+](C)CC2)cc1 ZINC001221404627 856558743 /nfs/dbraw/zinc/55/87/43/856558743.db2.gz KSCYLEQLZGALNF-INIZCTEOSA-N 1 3 367.515 0.829 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714237 856662258 /nfs/dbraw/zinc/66/22/58/856662258.db2.gz UORPIZYSDYNECM-BRWVUGGUSA-N 1 3 353.507 0.791 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226563954 857109660 /nfs/dbraw/zinc/10/96/60/857109660.db2.gz GBFBUBBXCYGGNK-RRFJBIMHSA-N 1 3 365.515 0.728 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCS(C)(=O)=O)CCC1 ZINC001226765531 857124660 /nfs/dbraw/zinc/12/46/60/857124660.db2.gz DGAYFQXYXVYOQX-HUUCEWRRSA-N 1 3 359.536 0.922 20 0 FCADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001226819142 857127934 /nfs/dbraw/zinc/12/79/34/857127934.db2.gz VOLQRNXIKWSFLQ-IACUBPJLSA-N 1 3 353.467 0.071 20 0 FCADHO CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230256974 857318726 /nfs/dbraw/zinc/31/87/26/857318726.db2.gz IJVRSFYSNQENJJ-HZPDHXFCSA-N 1 3 359.536 0.924 20 0 FCADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284496 857322543 /nfs/dbraw/zinc/32/25/43/857322543.db2.gz HORXHRFWWCGWJP-HUUCEWRRSA-N 1 3 362.540 0.283 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1OC ZINC001238241264 857464641 /nfs/dbraw/zinc/46/46/41/857464641.db2.gz JSTZFBPIDYAZQR-CYBMUJFWSA-N 1 3 369.487 0.856 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cc1OC ZINC001238241264 857464645 /nfs/dbraw/zinc/46/46/45/857464645.db2.gz JSTZFBPIDYAZQR-CYBMUJFWSA-N 1 3 369.487 0.856 20 0 FCADHO COC(=O)c1cc(S(=O)(=O)NCCC[NH2+]CCCN)c(C)cc1O ZINC001238878586 857485721 /nfs/dbraw/zinc/48/57/21/857485721.db2.gz IJMLMFJLYYJPMJ-UHFFFAOYSA-N 1 3 359.448 0.094 20 0 FCADHO CN(C)C(=O)CN1CCO[C@]2(CCCN(C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502427 862919217 /nfs/dbraw/zinc/91/92/17/862919217.db2.gz QRKBWVCOGHQYHO-HKUYNNGSSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)C(=O)CN1CCO[C@]2(CCCN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502427 862919234 /nfs/dbraw/zinc/91/92/34/862919234.db2.gz QRKBWVCOGHQYHO-HKUYNNGSSA-N 1 3 352.523 0.583 20 0 FCADHO CCOC(=O)CC1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CNC1 ZINC001245997108 857562829 /nfs/dbraw/zinc/56/28/29/857562829.db2.gz UICKTOGTHJVPFG-LSDHHAIUSA-N 1 3 357.401 0.080 20 0 FCADHO CCC(CC)[C@@H]([NH2+][C@@H]1CCCN(C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246410487 857577397 /nfs/dbraw/zinc/57/73/97/857577397.db2.gz HLTFPKIUEBRCAF-SISKNIMQSA-N 1 3 355.523 0.972 20 0 FCADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246419399 857577644 /nfs/dbraw/zinc/57/76/44/857577644.db2.gz VIANZEAGDDPDEC-AWEZNQCLSA-N 1 3 359.467 0.614 20 0 FCADHO C[C@@H]1CC[C@@H](N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737613 857596084 /nfs/dbraw/zinc/59/60/84/857596084.db2.gz DWJKOECDNUMXBH-ZKXLYKBJSA-N 1 3 351.491 0.570 20 0 FCADHO CCOC(=O)[C@]12C[N@@H+](C3CCC(S(C)(=O)=O)CC3)C[C@H]1CNCC2 ZINC001246855606 857603087 /nfs/dbraw/zinc/60/30/87/857603087.db2.gz PIPSBRDUDLXJES-ARAOSMHQSA-N 1 3 358.504 0.817 20 0 FCADHO CCOC(=O)[C@]12C[N@H+](C3CCC(S(C)(=O)=O)CC3)C[C@H]1CNCC2 ZINC001246855606 857603091 /nfs/dbraw/zinc/60/30/91/857603091.db2.gz PIPSBRDUDLXJES-ARAOSMHQSA-N 1 3 358.504 0.817 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1=O ZINC001253722610 857908003 /nfs/dbraw/zinc/90/80/03/857908003.db2.gz AEJSFQAMTYVHKD-MRXNPFEDSA-N 1 3 354.539 0.564 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@@H]3CCCN(C)CC3)CC[C@@H]2C1 ZINC001254516847 857975872 /nfs/dbraw/zinc/97/58/72/857975872.db2.gz CDCSMLRBQCHUMM-KZNAEPCWSA-N 1 3 352.523 0.582 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@@H]3CCCN(C)CC3)CC[C@@H]2C1 ZINC001254516847 857975880 /nfs/dbraw/zinc/97/58/80/857975880.db2.gz CDCSMLRBQCHUMM-KZNAEPCWSA-N 1 3 352.523 0.582 20 0 FCADHO CN1CCC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001254517225 857976084 /nfs/dbraw/zinc/97/60/84/857976084.db2.gz GDTYFJFDBYXAFF-CQSZACIVSA-N 1 3 355.508 0.275 20 0 FCADHO O=S1(=O)CCN(c2ccnc(CN[C@@H]3CC4CC[NH+](CC4)C3)c2)CC1 ZINC001254847808 857987763 /nfs/dbraw/zinc/98/77/63/857987763.db2.gz JASIBFIXQSFVNA-QGZVFWFLSA-N 1 3 364.515 0.890 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001261245553 858505505 /nfs/dbraw/zinc/50/55/05/858505505.db2.gz GIMZZWHIRZDQTK-UHFFFAOYSA-N 1 3 350.507 0.907 20 0 FCADHO CCN(CCN[C@@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451133 859533162 /nfs/dbraw/zinc/53/31/62/859533162.db2.gz DVAUTDFUAHELAG-YNEHKIRRSA-N 1 3 366.428 0.832 20 0 FCADHO CCN(CCN[C@@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451133 859533171 /nfs/dbraw/zinc/53/31/71/859533171.db2.gz DVAUTDFUAHELAG-YNEHKIRRSA-N 1 3 366.428 0.832 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489658 859770197 /nfs/dbraw/zinc/77/01/97/859770197.db2.gz IDHCUFDNLBAODA-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489658 859770207 /nfs/dbraw/zinc/77/02/07/859770207.db2.gz IDHCUFDNLBAODA-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651463 859984984 /nfs/dbraw/zinc/98/49/84/859984984.db2.gz UIRFALRQMFVOAR-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651463 859984989 /nfs/dbraw/zinc/98/49/89/859984989.db2.gz UIRFALRQMFVOAR-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO CC[NH+](CC)CCC(=O)N1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1 ZINC001272642717 860216145 /nfs/dbraw/zinc/21/61/45/860216145.db2.gz PAAHRNXWEDPSHB-IAGOWNOFSA-N 1 3 360.449 0.381 20 0 FCADHO CN(C)CCN1CCC2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1=O ZINC001273191635 860405947 /nfs/dbraw/zinc/40/59/47/860405947.db2.gz HAXSKTZQNZGIFW-IYBDPMFKSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(O)CCN(C)CC3)C[C@H]2CC1 ZINC001274204146 860706925 /nfs/dbraw/zinc/70/69/25/860706925.db2.gz RWSWDDIDOIIEPT-CALCHBBNSA-N 1 3 352.523 0.175 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(O)CCN(C)CC3)C[C@H]2CC1 ZINC001274204146 860706931 /nfs/dbraw/zinc/70/69/31/860706931.db2.gz RWSWDDIDOIIEPT-CALCHBBNSA-N 1 3 352.523 0.175 20 0 FCADHO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001275172411 860977018 /nfs/dbraw/zinc/97/70/18/860977018.db2.gz WGFYJJAVQLLAGA-PMPSAXMXSA-N 1 3 363.531 0.730 20 0 FCADHO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001275172411 860977034 /nfs/dbraw/zinc/97/70/34/860977034.db2.gz WGFYJJAVQLLAGA-PMPSAXMXSA-N 1 3 363.531 0.730 20 0 FCADHO CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCCN(CC1CC[NH+](C)CC1)C2 ZINC001275556645 861127693 /nfs/dbraw/zinc/12/76/93/861127693.db2.gz NGUKEXAZVYGUCQ-HNAYVOBHSA-N 1 3 351.491 0.857 20 0 FCADHO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCCN(CC1CC[NH+](C)CC1)C2 ZINC001275556646 861127895 /nfs/dbraw/zinc/12/78/95/861127895.db2.gz NGUKEXAZVYGUCQ-KXBFYZLASA-N 1 3 351.491 0.857 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001281961726 864003672 /nfs/dbraw/zinc/00/36/72/864003672.db2.gz QWCMJANRGQSOLZ-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001353109966 867351252 /nfs/dbraw/zinc/35/12/52/867351252.db2.gz NYKOEXFKNSPLTF-CYBMUJFWSA-N 1 3 358.433 0.564 20 0 FCADHO O=C(N[C@@H]1CCCN(CCCO)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558891 868132119 /nfs/dbraw/zinc/13/21/19/868132119.db2.gz ARXHNPWIPVBEIK-CVEARBPZSA-N 1 3 354.495 0.291 20 0 FCADHO CC(C)N1CCN(CCC[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001320982799 868336011 /nfs/dbraw/zinc/33/60/11/868336011.db2.gz UDPRUWDDGRQCNI-UHFFFAOYSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC001322519837 868841592 /nfs/dbraw/zinc/84/15/92/868841592.db2.gz HUBALMSRBLUZGF-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC001322519837 868841599 /nfs/dbraw/zinc/84/15/99/868841599.db2.gz HUBALMSRBLUZGF-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704047 871967719 /nfs/dbraw/zinc/96/77/19/871967719.db2.gz WQKFNBBDQCIPMV-HZPDHXFCSA-N 1 3 350.438 0.803 20 0 FCADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909607 950403870 /nfs/dbraw/zinc/40/38/70/950403870.db2.gz ZOKPAGBOKUCAGR-BBRMVZONSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101266 951855893 /nfs/dbraw/zinc/85/58/93/951855893.db2.gz BICBXZVKIONZDJ-LBPRGKRZSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101266 951855895 /nfs/dbraw/zinc/85/58/95/951855895.db2.gz BICBXZVKIONZDJ-LBPRGKRZSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CC[NH+](C)C ZINC001575106552 951905482 /nfs/dbraw/zinc/90/54/82/951905482.db2.gz SATWQFNFQYLKLO-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CC[NH+](C)C ZINC001575106552 951905489 /nfs/dbraw/zinc/90/54/89/951905489.db2.gz SATWQFNFQYLKLO-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO CN(CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)C1CC1 ZINC000265389801 210117119 /nfs/dbraw/zinc/11/71/19/210117119.db2.gz LKENKDNDWSBTIW-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO CN(CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C1CC1 ZINC000265389801 210117121 /nfs/dbraw/zinc/11/71/21/210117121.db2.gz LKENKDNDWSBTIW-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCSC1 ZINC000331552717 215014781 /nfs/dbraw/zinc/01/47/81/215014781.db2.gz WZEKXZSBPLUTPH-WSMBLCCSSA-N 1 3 354.520 0.126 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331684053 215034253 /nfs/dbraw/zinc/03/42/53/215034253.db2.gz SAQXMOKBENBOOF-GBJTYRQASA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331684053 215034257 /nfs/dbraw/zinc/03/42/57/215034257.db2.gz SAQXMOKBENBOOF-GBJTYRQASA-N 1 3 352.479 0.158 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000331697263 215036979 /nfs/dbraw/zinc/03/69/79/215036979.db2.gz WXFZZZLGLCRJFS-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331697263 215036981 /nfs/dbraw/zinc/03/69/81/215036981.db2.gz WXFZZZLGLCRJFS-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC[C@H]3CN)C2)CC1 ZINC000331756884 215043663 /nfs/dbraw/zinc/04/36/63/215043663.db2.gz CICHGKIKVGLIFY-SJORKVTESA-N 1 3 350.507 0.907 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000331859589 215058691 /nfs/dbraw/zinc/05/86/91/215058691.db2.gz FRBWVXIBDYROOA-GOSISDBHSA-N 1 3 353.507 0.935 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000331859589 215058692 /nfs/dbraw/zinc/05/86/92/215058692.db2.gz FRBWVXIBDYROOA-GOSISDBHSA-N 1 3 353.507 0.935 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCN(c3cnccn3)CC2)CC1 ZINC000333199043 215249222 /nfs/dbraw/zinc/24/92/22/215249222.db2.gz YFIZQHDYGPRNML-UHFFFAOYSA-N 1 3 360.506 0.978 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000333258750 215256022 /nfs/dbraw/zinc/25/60/22/215256022.db2.gz DOSBWVNNXMWMDM-HOCLYGCPSA-N 1 3 359.478 0.834 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000333258750 215256025 /nfs/dbraw/zinc/25/60/25/215256025.db2.gz DOSBWVNNXMWMDM-HOCLYGCPSA-N 1 3 359.478 0.834 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333546672 215296688 /nfs/dbraw/zinc/29/66/88/215296688.db2.gz OQUGYWWLFCSSOW-BBWFWOEESA-N 1 3 353.511 0.175 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333546672 215296692 /nfs/dbraw/zinc/29/66/92/215296692.db2.gz OQUGYWWLFCSSOW-BBWFWOEESA-N 1 3 353.511 0.175 20 0 FCADHO COCC1(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[NH2+]CC1 ZINC000333673276 215308181 /nfs/dbraw/zinc/30/81/81/215308181.db2.gz NNKQSQGGORYMSG-MRXNPFEDSA-N 1 3 368.522 0.897 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000333761610 215316721 /nfs/dbraw/zinc/31/67/21/215316721.db2.gz ANRVKPSZBQRWRH-HZPDHXFCSA-N 1 3 351.495 0.452 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333871748 215327882 /nfs/dbraw/zinc/32/78/82/215327882.db2.gz BVBHKTGXGHBNNK-GVDBMIGSSA-N 1 3 365.522 0.570 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333945493 215333173 /nfs/dbraw/zinc/33/31/73/215333173.db2.gz SXLRMVJYKSYUTM-BZUAXINKSA-N 1 3 351.495 0.370 20 0 FCADHO CCCN1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000334053295 215339878 /nfs/dbraw/zinc/33/98/78/215339878.db2.gz SSXDBCNLEWHVML-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000284430319 213138201 /nfs/dbraw/zinc/13/82/01/213138201.db2.gz KWMYUOMPDGIMJM-OAHLLOKOSA-N 1 3 364.490 0.700 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000284320898 213110300 /nfs/dbraw/zinc/11/03/00/213110300.db2.gz WJSIFOOCWAWUQY-UHFFFAOYSA-N 1 3 368.478 0.254 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000284320898 213110302 /nfs/dbraw/zinc/11/03/02/213110302.db2.gz WJSIFOOCWAWUQY-UHFFFAOYSA-N 1 3 368.478 0.254 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000284106570 213074706 /nfs/dbraw/zinc/07/47/06/213074706.db2.gz UQGIGGPNUIIFOM-UHFFFAOYSA-N 1 3 362.474 0.913 20 0 FCADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000366881530 216046108 /nfs/dbraw/zinc/04/61/08/216046108.db2.gz JPJTWWKAMLEYIX-UHFFFAOYSA-N 1 3 372.517 0.933 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000246534059 209390470 /nfs/dbraw/zinc/39/04/70/209390470.db2.gz WWYUECQBMLDLPH-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000246534059 209390474 /nfs/dbraw/zinc/39/04/74/209390474.db2.gz WWYUECQBMLDLPH-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000246479899 209390057 /nfs/dbraw/zinc/39/00/57/209390057.db2.gz RMJQXJFLIUROLR-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000246479899 209390060 /nfs/dbraw/zinc/39/00/60/209390060.db2.gz RMJQXJFLIUROLR-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1[nH]nc2c1CNCC2 ZINC000188756625 209238873 /nfs/dbraw/zinc/23/88/73/209238873.db2.gz BPTZNFXKYUXJRB-UHFFFAOYSA-N 1 3 369.469 0.942 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](OCCO)C3)CC2)CC1 ZINC000188176716 209226709 /nfs/dbraw/zinc/22/67/09/209226709.db2.gz IFHINOWWKXLAGU-SFHVURJKSA-N 1 3 368.522 0.728 20 0 FCADHO Cn1nnc2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cnc21 ZINC000185697602 209179427 /nfs/dbraw/zinc/17/94/27/209179427.db2.gz YJORVCJLBHSLIC-UHFFFAOYSA-N 1 3 357.462 0.652 20 0 FCADHO COC(=O)/C=C1\SCC(=O)N1CCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931481680 674116972 /nfs/dbraw/zinc/11/69/72/674116972.db2.gz RBMNZNJCVVLQGK-PTNGSMBKSA-N 1 3 371.503 0.355 20 0 FCADHO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)N(C)C ZINC000414685533 245310116 /nfs/dbraw/zinc/31/01/16/245310116.db2.gz ZOCSGAMQHOTZLR-HOCLYGCPSA-N 1 3 361.490 0.929 20 0 FCADHO C[C@H]1C[C@@H](CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737728 245318922 /nfs/dbraw/zinc/31/89/22/245318922.db2.gz OIULVSIMLWYGER-GJZGRUSLSA-N 1 3 352.504 0.844 20 0 FCADHO Cn1c(=O)c2cc(NC(=O)NCCCC3CCC[NH2+]3)cnc2n(C)c1=O ZINC000414871241 245330317 /nfs/dbraw/zinc/33/03/17/245330317.db2.gz DKJLTDHWVXOADL-LLVKDONJSA-N 1 3 360.418 0.286 20 0 FCADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415336484 245390934 /nfs/dbraw/zinc/39/09/34/245390934.db2.gz WAHWJHWWDLMERT-INIZCTEOSA-N 1 3 362.499 0.695 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000415350452 245395421 /nfs/dbraw/zinc/39/54/21/245395421.db2.gz FTXOSULVUMFSMJ-HNNXBMFYSA-N 1 3 359.474 0.635 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076105 209157906 /nfs/dbraw/zinc/15/79/06/209157906.db2.gz LIMCNEXFEXBUOA-SJLPKXTDSA-N 1 3 352.523 0.772 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076105 209157909 /nfs/dbraw/zinc/15/79/09/209157909.db2.gz LIMCNEXFEXBUOA-SJLPKXTDSA-N 1 3 352.523 0.772 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000415358643 245397784 /nfs/dbraw/zinc/39/77/84/245397784.db2.gz IUASPTBLMZFBPG-UHFFFAOYSA-N 1 3 361.490 0.800 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(C)c2)CC1 ZINC000415354064 245396691 /nfs/dbraw/zinc/39/66/91/245396691.db2.gz BIQKABAHWPYSIZ-HNNXBMFYSA-N 1 3 361.490 0.929 20 0 FCADHO C[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000374917415 217188986 /nfs/dbraw/zinc/18/89/86/217188986.db2.gz UTTLJMDBAULPTD-ZWKOTPCHSA-N 1 3 351.539 0.108 20 0 FCADHO C[C@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000374917415 217188990 /nfs/dbraw/zinc/18/89/90/217188990.db2.gz UTTLJMDBAULPTD-ZWKOTPCHSA-N 1 3 351.539 0.108 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1=O ZINC000374918552 217190373 /nfs/dbraw/zinc/19/03/73/217190373.db2.gz SJNCZQOETVMBIZ-BSDSXHPESA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1=O ZINC000374918552 217190375 /nfs/dbraw/zinc/19/03/75/217190375.db2.gz SJNCZQOETVMBIZ-BSDSXHPESA-N 1 3 362.518 0.872 20 0 FCADHO COCCN(C)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181612894 209118100 /nfs/dbraw/zinc/11/81/00/209118100.db2.gz NCJVTBRFHJJWAU-SFHVURJKSA-N 1 3 364.490 0.631 20 0 FCADHO COCCN(C)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181612894 209118103 /nfs/dbraw/zinc/11/81/03/209118103.db2.gz NCJVTBRFHJJWAU-SFHVURJKSA-N 1 3 364.490 0.631 20 0 FCADHO CC(C)(C)N1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000181036166 209107870 /nfs/dbraw/zinc/10/78/70/209107870.db2.gz HWQXXKZGTBALDZ-QGZVFWFLSA-N 1 3 352.523 0.772 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419151151 246020855 /nfs/dbraw/zinc/02/08/55/246020855.db2.gz NFBKWTYTYMBLQX-MRXNPFEDSA-N 1 3 362.474 0.502 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419162023 246026198 /nfs/dbraw/zinc/02/61/98/246026198.db2.gz SVSDWCCQMNRFFG-RBSFLKMASA-N 1 3 354.495 0.452 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419135623 246009769 /nfs/dbraw/zinc/00/97/69/246009769.db2.gz NJPCSPKKNJCVDV-CYBMUJFWSA-N 1 3 352.504 0.787 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419140043 246012032 /nfs/dbraw/zinc/01/20/32/246012032.db2.gz VJLFSVZDPDPYQS-OAHLLOKOSA-N 1 3 364.515 0.945 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000419141827 246013716 /nfs/dbraw/zinc/01/37/16/246013716.db2.gz XKZZERTXMFAWIX-KRWDZBQOSA-N 1 3 374.485 0.583 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419162022 246026283 /nfs/dbraw/zinc/02/62/83/246026283.db2.gz SVSDWCCQMNRFFG-QLFBSQMISA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419223122 246060866 /nfs/dbraw/zinc/06/08/66/246060866.db2.gz CLCSPKCWMINDTM-OIISXLGYSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221873 246062158 /nfs/dbraw/zinc/06/21/58/246062158.db2.gz AWMUEZXXZWEKRR-KANFNMMFSA-N 1 3 370.497 0.691 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226544 246065621 /nfs/dbraw/zinc/06/56/21/246065621.db2.gz JEUZHPCFCJYTIR-YSHGAJCASA-N 1 3 370.497 0.834 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419229043 246066732 /nfs/dbraw/zinc/06/67/32/246066732.db2.gz NKGITDKDSVNDPQ-LZLYRXPVSA-N 1 3 360.502 0.985 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000419199024 246047870 /nfs/dbraw/zinc/04/78/70/246047870.db2.gz DIVGMUVTTOLRRN-GOEBONIOSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419199606 246048399 /nfs/dbraw/zinc/04/83/99/246048399.db2.gz DTWRNWHQVMGWFS-HOCLYGCPSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419231766 246071414 /nfs/dbraw/zinc/07/14/14/246071414.db2.gz SFOQOORUBSNEGL-BHYGNILZSA-N 1 3 350.507 0.953 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419240222 246074040 /nfs/dbraw/zinc/07/40/40/246074040.db2.gz QYSONUHJHDJJMT-UKRRQHHQSA-N 1 3 354.495 0.596 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419369755 246121350 /nfs/dbraw/zinc/12/13/50/246121350.db2.gz GAHYHLRDIPEQGI-GJZGRUSLSA-N 1 3 358.486 0.398 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N1CCC(C)CC1 ZINC000419375437 246121762 /nfs/dbraw/zinc/12/17/62/246121762.db2.gz RMRJIRCKSKNEAJ-GVDBMIGSSA-N 1 3 352.523 0.973 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419374815 246121917 /nfs/dbraw/zinc/12/19/17/246121917.db2.gz PIZMXPYJUHTSIY-MAUKXSAKSA-N 1 3 372.513 0.930 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373345 246122816 /nfs/dbraw/zinc/12/28/16/246122816.db2.gz MQJVOBJGWVJRIO-PBHICJAKSA-N 1 3 358.486 0.445 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419375806 246125328 /nfs/dbraw/zinc/12/53/28/246125328.db2.gz RGDORGRZXOPRRN-PBHICJAKSA-N 1 3 358.486 0.398 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419411924 246144561 /nfs/dbraw/zinc/14/45/61/246144561.db2.gz CDMUDLCLSWDKLB-MOPGFXCFSA-N 1 3 370.497 0.619 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430824 246159641 /nfs/dbraw/zinc/15/96/41/246159641.db2.gz WEEGFLNAKLGMAT-YJBOKZPZSA-N 1 3 358.486 0.808 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419521208 246189504 /nfs/dbraw/zinc/18/95/04/246189504.db2.gz JLSWESOGAKWPAF-XOKHGSTOSA-N 1 3 364.465 0.925 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419521208 246189509 /nfs/dbraw/zinc/18/95/09/246189509.db2.gz JLSWESOGAKWPAF-XOKHGSTOSA-N 1 3 364.465 0.925 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419474884 246176461 /nfs/dbraw/zinc/17/64/61/246176461.db2.gz CTMQCAYDUZQQAC-PMPSAXMXSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419474884 246176463 /nfs/dbraw/zinc/17/64/63/246176463.db2.gz CTMQCAYDUZQQAC-PMPSAXMXSA-N 1 3 368.522 0.986 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H](CN)C1 ZINC000419659790 246233487 /nfs/dbraw/zinc/23/34/87/246233487.db2.gz AWQTUOJEAIGLNB-HOTGVXAUSA-N 1 3 356.511 0.576 20 0 FCADHO COc1cc(NC(=O)C(=O)NC[C@H](C)N(C)C)ccc1OCC[NH+](C)C ZINC000419654030 246230374 /nfs/dbraw/zinc/23/03/74/246230374.db2.gz RQOKQOLSZVDMBN-ZDUSSCGKSA-N 1 3 366.462 0.640 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419695998 246254317 /nfs/dbraw/zinc/25/43/17/246254317.db2.gz NTLDLHYXYSAPIC-QGZVFWFLSA-N 1 3 373.501 0.811 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702298 246259551 /nfs/dbraw/zinc/25/95/51/246259551.db2.gz AVGCBLGZMVMOAW-KKUMJFAQSA-N 1 3 354.495 0.596 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000419765642 246291217 /nfs/dbraw/zinc/29/12/17/246291217.db2.gz QNLXRMLVYPGEQH-ZTFGCOKTSA-N 1 3 358.486 0.819 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778321 246293013 /nfs/dbraw/zinc/29/30/13/246293013.db2.gz OQKWYAJTTJJKOL-IUODEOHRSA-N 1 3 352.479 0.206 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813865 246304063 /nfs/dbraw/zinc/30/40/63/246304063.db2.gz JTCVGIQVWPANTH-KGLIPLIRSA-N 1 3 354.495 0.596 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](CN)C1 ZINC000419822148 246305996 /nfs/dbraw/zinc/30/59/96/246305996.db2.gz OXNFUZREYQAFDQ-CABCVRRESA-N 1 3 354.495 0.332 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000419869438 246338313 /nfs/dbraw/zinc/33/83/13/246338313.db2.gz BMYKOEIQCVRICH-HZPDHXFCSA-N 1 3 364.490 0.983 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)o1 ZINC000419935238 246378089 /nfs/dbraw/zinc/37/80/89/246378089.db2.gz IPDIMUBFNKDXCG-OAHLLOKOSA-N 1 3 350.463 0.737 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419933521 246376249 /nfs/dbraw/zinc/37/62/49/246376249.db2.gz FFNIAIWZKYXYDZ-HRCADAONSA-N 1 3 368.522 0.306 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419933523 246376541 /nfs/dbraw/zinc/37/65/41/246376541.db2.gz FFNIAIWZKYXYDZ-JYJNAYRXSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000419951001 246383828 /nfs/dbraw/zinc/38/38/28/246383828.db2.gz IXJDNIHNSHWCFI-HNNXBMFYSA-N 1 3 356.511 0.435 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000419960421 246388393 /nfs/dbraw/zinc/38/83/93/246388393.db2.gz RRIURYLHKFKWSG-UXLLHSPISA-N 1 3 350.507 0.951 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000419960421 246388399 /nfs/dbraw/zinc/38/83/99/246388399.db2.gz RRIURYLHKFKWSG-UXLLHSPISA-N 1 3 350.507 0.951 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@@H]1C[NH3+] ZINC000423375612 247015225 /nfs/dbraw/zinc/01/52/25/247015225.db2.gz UJDXXEFBZBJTAX-GJZGRUSLSA-N 1 3 350.463 0.613 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423583832 247063443 /nfs/dbraw/zinc/06/34/43/247063443.db2.gz BBLZKDNCNIFZCJ-HOTGVXAUSA-N 1 3 364.515 0.706 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423529094 247040967 /nfs/dbraw/zinc/04/09/67/247040967.db2.gz VGPIHRZITJZGNJ-DLBZAZTESA-N 1 3 362.449 0.631 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000423769531 247138759 /nfs/dbraw/zinc/13/87/59/247138759.db2.gz YQDGHPCUENMJRM-KRWDZBQOSA-N 1 3 352.454 0.815 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423788621 247142466 /nfs/dbraw/zinc/14/24/66/247142466.db2.gz YALSVJSUDFFOHM-BPQIPLTHSA-N 1 3 358.486 0.881 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000423724429 247126008 /nfs/dbraw/zinc/12/60/08/247126008.db2.gz HELAWIADQMYRQS-ZACQAIPSSA-N 1 3 368.522 0.532 20 0 FCADHO CN(C)[C@H](CNC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424291544 247195087 /nfs/dbraw/zinc/19/50/87/247195087.db2.gz MGKFSSLSFYPCNR-IPMKNSEASA-N 1 3 370.501 0.566 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000424046512 247164907 /nfs/dbraw/zinc/16/49/07/247164907.db2.gz RJSWFTDCFBZJCI-RBUKOAKNSA-N 1 3 358.486 0.706 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424536816 247255721 /nfs/dbraw/zinc/25/57/21/247255721.db2.gz BOFWFYDJIZWSSA-OKZBNKHCSA-N 1 3 356.470 0.573 20 0 FCADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758672 248295260 /nfs/dbraw/zinc/29/52/60/248295260.db2.gz BDWYTLHKPTYAFX-HIFRSBDPSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758672 248295262 /nfs/dbraw/zinc/29/52/62/248295262.db2.gz BDWYTLHKPTYAFX-HIFRSBDPSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758672 248295264 /nfs/dbraw/zinc/29/52/64/248295264.db2.gz BDWYTLHKPTYAFX-HIFRSBDPSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000444353838 248355926 /nfs/dbraw/zinc/35/59/26/248355926.db2.gz RXYNTKJNVTXUPE-QAPCUYQASA-N 1 3 353.507 0.933 20 0 FCADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000444353838 248355928 /nfs/dbraw/zinc/35/59/28/248355928.db2.gz RXYNTKJNVTXUPE-QAPCUYQASA-N 1 3 353.507 0.933 20 0 FCADHO CC1[C@@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452967654 249339038 /nfs/dbraw/zinc/33/90/38/249339038.db2.gz CBMDIJYQMFMJFN-DWMDIXPDSA-N 1 3 360.502 0.194 20 0 FCADHO CC1[C@@H](C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452967654 249339045 /nfs/dbraw/zinc/33/90/45/249339045.db2.gz CBMDIJYQMFMJFN-DWMDIXPDSA-N 1 3 360.502 0.194 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459931369 249794690 /nfs/dbraw/zinc/79/46/90/249794690.db2.gz IYJOAIQGJAJDMB-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007385 250020914 /nfs/dbraw/zinc/02/09/14/250020914.db2.gz BJGPXUFQWVZRQI-HOCLYGCPSA-N 1 3 363.458 0.914 20 0 FCADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000471639212 250111670 /nfs/dbraw/zinc/11/16/70/250111670.db2.gz XIZSAUBKESKFNL-DLBZAZTESA-N 1 3 356.511 0.632 20 0 FCADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000471639214 250111914 /nfs/dbraw/zinc/11/19/14/250111914.db2.gz XIZSAUBKESKFNL-IRXDYDNUSA-N 1 3 356.511 0.632 20 0 FCADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000480870919 250290517 /nfs/dbraw/zinc/29/05/17/250290517.db2.gz CCNOQLPIXWKATL-HZPDHXFCSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879239 250370639 /nfs/dbraw/zinc/37/06/39/250370639.db2.gz NDRSWWXIWMNJEH-CVEARBPZSA-N 1 3 368.522 0.044 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000105319593 208196384 /nfs/dbraw/zinc/19/63/84/208196384.db2.gz WWYUECQBMLDLPH-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000105319593 208196393 /nfs/dbraw/zinc/19/63/93/208196393.db2.gz WWYUECQBMLDLPH-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616871 208388163 /nfs/dbraw/zinc/38/81/63/208388163.db2.gz FPYYVABKNWDODX-JKSUJKDBSA-N 1 3 367.538 0.911 20 0 FCADHO C[C@@H]1CN(CCC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000177481768 209026180 /nfs/dbraw/zinc/02/61/80/209026180.db2.gz UBCATZFPNYDCEP-GASCZTMLSA-N 1 3 352.479 0.750 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466546 230088921 /nfs/dbraw/zinc/08/89/21/230088921.db2.gz IZIZCYICTGPOLK-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410708567 230205072 /nfs/dbraw/zinc/20/50/72/230205072.db2.gz JUBNTMCZMMSOKY-UHFFFAOYSA-N 1 3 364.490 0.970 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410956771 230325560 /nfs/dbraw/zinc/32/55/60/230325560.db2.gz ZKFQNWQPEUJCTQ-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410956771 230325565 /nfs/dbraw/zinc/32/55/65/230325565.db2.gz ZKFQNWQPEUJCTQ-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)Cc3ccsc3)C[C@H]21 ZINC000411026065 230354482 /nfs/dbraw/zinc/35/44/82/230354482.db2.gz BSAPVIOVMPHNPJ-JKSUJKDBSA-N 1 3 364.515 0.801 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000934259882 674289163 /nfs/dbraw/zinc/28/91/63/674289163.db2.gz LCJAFAYKALBWQF-MSOLQXFVSA-N 1 3 352.523 0.506 20 0 FCADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1(C)C ZINC000328242439 488921805 /nfs/dbraw/zinc/92/18/05/488921805.db2.gz AHXIKPSOIWKCOF-FCEWJHQRSA-N 1 3 354.539 0.907 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3nc4ncccn4n3)CC2)CC1 ZINC000050798247 488114284 /nfs/dbraw/zinc/11/42/84/488114284.db2.gz XEUKPMDYBDMIGL-UHFFFAOYSA-N 1 3 357.462 0.342 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CCN3C(=O)CCC3=O)CC2)CC1 ZINC000050801132 488115770 /nfs/dbraw/zinc/11/57/70/488115770.db2.gz SETZPBRLZWFKKO-UHFFFAOYSA-N 1 3 350.463 0.200 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CCN(C2CC2)CC1 ZINC000569793380 491192070 /nfs/dbraw/zinc/19/20/70/491192070.db2.gz LUNIBGUFMLUXCL-AWEZNQCLSA-N 1 3 363.428 0.749 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCc2ccccc21 ZINC000554321713 491193972 /nfs/dbraw/zinc/19/39/72/491193972.db2.gz KQRJYJGYIGSDII-QGZVFWFLSA-N 1 3 360.502 0.784 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152716 488388220 /nfs/dbraw/zinc/38/82/20/488388220.db2.gz LNMWDXPJOOXREK-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152716 488388216 /nfs/dbraw/zinc/38/82/16/488388216.db2.gz LNMWDXPJOOXREK-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000076324657 488403516 /nfs/dbraw/zinc/40/35/16/488403516.db2.gz HEDUNASXIBQBBH-QGZVFWFLSA-N 1 3 365.522 0.660 20 0 FCADHO CCOC(=O)c1nn(C)cc1CNCC1CC[NH+](CCN(C)C)CC1 ZINC000186343887 488406181 /nfs/dbraw/zinc/40/61/81/488406181.db2.gz MMCLOSJZWLADKW-UHFFFAOYSA-N 1 3 351.495 0.960 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000189430418 488414776 /nfs/dbraw/zinc/41/47/76/488414776.db2.gz MQGJBHYMDITFBX-OAHLLOKOSA-N 1 3 357.524 0.682 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000554342755 491196695 /nfs/dbraw/zinc/19/66/95/491196695.db2.gz DHRXFXLXBOXPDW-RDJZCZTQSA-N 1 3 368.522 0.591 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000554342755 491196697 /nfs/dbraw/zinc/19/66/97/491196697.db2.gz DHRXFXLXBOXPDW-RDJZCZTQSA-N 1 3 368.522 0.591 20 0 FCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 ZINC000077840380 488418767 /nfs/dbraw/zinc/41/87/67/488418767.db2.gz SEQUZZNIIRHMAJ-INIZCTEOSA-N 1 3 350.463 0.506 20 0 FCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nnnn1-c1ccccc1 ZINC000077831991 488418889 /nfs/dbraw/zinc/41/88/89/488418889.db2.gz CJLCIAMQNNKPRH-OAHLLOKOSA-N 1 3 374.493 0.858 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000080061081 488433290 /nfs/dbraw/zinc/43/32/90/488433290.db2.gz APALMOZSGJOHCE-HUUCEWRRSA-N 1 3 352.479 0.113 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873427 488434688 /nfs/dbraw/zinc/43/46/88/488434688.db2.gz PKZRLHIGIKEBHA-HNNXBMFYSA-N 1 3 359.478 0.541 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873427 488434689 /nfs/dbraw/zinc/43/46/89/488434689.db2.gz PKZRLHIGIKEBHA-HNNXBMFYSA-N 1 3 359.478 0.541 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000080450128 488435657 /nfs/dbraw/zinc/43/56/57/488435657.db2.gz WUBRMDLZROYKCB-MRXNPFEDSA-N 1 3 355.527 0.016 20 0 FCADHO C[C@@H](CNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000246380124 488472152 /nfs/dbraw/zinc/47/21/52/488472152.db2.gz QQDBCEDPBHRCCC-OKZBNKHCSA-N 1 3 369.554 0.668 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246549821 488473484 /nfs/dbraw/zinc/47/34/84/488473484.db2.gz XDWXHFFPFIQMIO-CABCVRRESA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092599375 488475339 /nfs/dbraw/zinc/47/53/39/488475339.db2.gz HURREDXCBYCJTP-QGZVFWFLSA-N 1 3 362.474 0.302 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000269288104 488487249 /nfs/dbraw/zinc/48/72/49/488487249.db2.gz JQJRKXHUVLFTQA-RBUKOAKNSA-N 1 3 360.502 0.860 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000248372925 488495417 /nfs/dbraw/zinc/49/54/17/488495417.db2.gz DTOKTRNNFLXFLE-HOTGVXAUSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000103212251 488500141 /nfs/dbraw/zinc/50/01/41/488500141.db2.gz ASYDKQORUZRURC-UHFFFAOYSA-N 1 3 371.485 0.862 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1c1ccccc1F ZINC000562958072 491203148 /nfs/dbraw/zinc/20/31/48/491203148.db2.gz ICHSQANJXCFIQQ-UWWQBHOKSA-N 1 3 374.460 0.776 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000103603824 488502393 /nfs/dbraw/zinc/50/23/93/488502393.db2.gz GWHPYBOZFMRTLJ-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000249481729 488510365 /nfs/dbraw/zinc/51/03/65/488510365.db2.gz WZBHPTNNXQMJSJ-FUHWJXTLSA-N 1 3 368.522 0.404 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000249501077 488510392 /nfs/dbraw/zinc/51/03/92/488510392.db2.gz XFLMYZKEZKBYEZ-ULQDDVLXSA-N 1 3 368.522 0.437 20 0 FCADHO COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)c(C)c1 ZINC000554476116 491204816 /nfs/dbraw/zinc/20/48/16/491204816.db2.gz LKPWLRZRMNRSGS-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000554476116 491204817 /nfs/dbraw/zinc/20/48/17/491204817.db2.gz LKPWLRZRMNRSGS-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646692 488562141 /nfs/dbraw/zinc/56/21/41/488562141.db2.gz NVBPVBXDCHMXOA-SJORKVTESA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646692 488562143 /nfs/dbraw/zinc/56/21/43/488562143.db2.gz NVBPVBXDCHMXOA-SJORKVTESA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)C1C[NH2+]C1 ZINC000262458714 488571051 /nfs/dbraw/zinc/57/10/51/488571051.db2.gz WVOYLUCGOBOTPJ-OAHLLOKOSA-N 1 3 358.486 0.984 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1=O ZINC000262508926 488574207 /nfs/dbraw/zinc/57/42/07/488574207.db2.gz MIHMTKQMTQCBLF-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000122359690 488577651 /nfs/dbraw/zinc/57/76/51/488577651.db2.gz GDPPMDNAGOYBRW-MRXNPFEDSA-N 1 3 358.552 0.960 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](N)Cc2ccccc2)cn1 ZINC000262674235 488585383 /nfs/dbraw/zinc/58/53/83/488585383.db2.gz QQCCQKQFJMFLIK-MRXNPFEDSA-N 1 3 358.446 0.069 20 0 FCADHO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1(C)C ZINC000262782734 488593034 /nfs/dbraw/zinc/59/30/34/488593034.db2.gz LKEKJZKXEOKIGY-HNAYVOBHSA-N 1 3 366.506 0.286 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000127929471 488620773 /nfs/dbraw/zinc/62/07/73/488620773.db2.gz MEFKZDJTWAJRJD-UHFFFAOYSA-N 1 3 364.494 0.983 20 0 FCADHO O=C(COCC(=O)NCC[NH+]1CCCCC1)NCCN1CCCCC1 ZINC000129550523 488632001 /nfs/dbraw/zinc/63/20/01/488632001.db2.gz GYJUMQJULUOICI-UHFFFAOYSA-N 1 3 354.495 0.207 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130660994 488639419 /nfs/dbraw/zinc/63/94/19/488639419.db2.gz SEZHQXQRYVKCBM-HZPDHXFCSA-N 1 3 365.522 0.807 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130660994 488639421 /nfs/dbraw/zinc/63/94/21/488639421.db2.gz SEZHQXQRYVKCBM-HZPDHXFCSA-N 1 3 365.522 0.807 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000133163407 488657670 /nfs/dbraw/zinc/65/76/70/488657670.db2.gz KRBDBSDOSQEGPG-UHFFFAOYSA-N 1 3 352.483 0.618 20 0 FCADHO CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1CCN(CCn2cccn2)CC1 ZINC000134030843 488663975 /nfs/dbraw/zinc/66/39/75/488663975.db2.gz JITYLXSYQDKQRW-OAHLLOKOSA-N 1 3 351.520 0.901 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000137243413 488680217 /nfs/dbraw/zinc/68/02/17/488680217.db2.gz BZRUSSSRAURFEH-QGZVFWFLSA-N 1 3 358.486 0.984 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000151222875 488702907 /nfs/dbraw/zinc/70/29/07/488702907.db2.gz XYKTVQWZWKPPGH-UHFFFAOYSA-N 1 3 372.473 0.761 20 0 FCADHO CN1CCO[C@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C[C@H]21 ZINC000158870170 488781062 /nfs/dbraw/zinc/78/10/62/488781062.db2.gz JTOAREQMZKEOFC-MSOLQXFVSA-N 1 3 365.522 0.269 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000171305947 488821844 /nfs/dbraw/zinc/82/18/44/488821844.db2.gz PWXLWDXAZJJQKD-LMMKCTJWSA-N 1 3 355.523 0.501 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000174825799 488851599 /nfs/dbraw/zinc/85/15/99/488851599.db2.gz JYZZDAURRFNUOX-QGZVFWFLSA-N 1 3 369.554 0.264 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000175425297 488854027 /nfs/dbraw/zinc/85/40/27/488854027.db2.gz YRTVKRRNYYDLQC-UHFFFAOYSA-N 1 3 351.499 0.592 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@]3(O)CCSC3)CC2)CC1 ZINC000176289479 488858270 /nfs/dbraw/zinc/85/82/70/488858270.db2.gz ZTUBCSXBMQVEPL-KRWDZBQOSA-N 1 3 356.536 0.712 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000179128295 488860827 /nfs/dbraw/zinc/86/08/27/488860827.db2.gz FXHHZLROHSABIY-KRWDZBQOSA-N 1 3 353.555 0.497 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000179128295 488860828 /nfs/dbraw/zinc/86/08/28/488860828.db2.gz FXHHZLROHSABIY-KRWDZBQOSA-N 1 3 353.555 0.497 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000179128295 488860829 /nfs/dbraw/zinc/86/08/29/488860829.db2.gz FXHHZLROHSABIY-KRWDZBQOSA-N 1 3 353.555 0.497 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211189 491227800 /nfs/dbraw/zinc/22/78/00/491227800.db2.gz OLKMZUVRMBBSGI-FRQCXROJSA-N 1 3 350.507 0.825 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000563210639 491227937 /nfs/dbraw/zinc/22/79/37/491227937.db2.gz FUTBSPYUBCLTME-ZDUSSCGKSA-N 1 3 355.446 0.886 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CN1C1CC1 ZINC000289036044 489037406 /nfs/dbraw/zinc/03/74/06/489037406.db2.gz WHMNWSKZZKNFLV-HUUCEWRRSA-N 1 3 362.474 0.911 20 0 FCADHO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289378507 489063069 /nfs/dbraw/zinc/06/30/69/489063069.db2.gz IWYCLFRZLIFOMW-HNNXBMFYSA-N 1 3 363.506 0.928 20 0 FCADHO C[N@H+](C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778481 489164690 /nfs/dbraw/zinc/16/46/90/489164690.db2.gz MOPBBKYUYLAGPN-FXAWDEMLSA-N 1 3 372.469 0.638 20 0 FCADHO C[N@@H+](C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778481 489164692 /nfs/dbraw/zinc/16/46/92/489164692.db2.gz MOPBBKYUYLAGPN-FXAWDEMLSA-N 1 3 372.469 0.638 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)cc1 ZINC000331173425 489181057 /nfs/dbraw/zinc/18/10/57/489181057.db2.gz DLRMWOGPFDACPE-UHFFFAOYSA-N 1 3 355.504 0.825 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000331173425 489181059 /nfs/dbraw/zinc/18/10/59/489181059.db2.gz DLRMWOGPFDACPE-UHFFFAOYSA-N 1 3 355.504 0.825 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000331370873 489202498 /nfs/dbraw/zinc/20/24/98/489202498.db2.gz GIBDOJQVZPUIEJ-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000297697076 489225229 /nfs/dbraw/zinc/22/52/29/489225229.db2.gz HLMVGHWXLNCLMR-HNNXBMFYSA-N 1 3 350.463 0.722 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332842762 489238028 /nfs/dbraw/zinc/23/80/28/489238028.db2.gz OIKAKMJXIYZFOG-OKZBNKHCSA-N 1 3 368.522 0.774 20 0 FCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000369469128 489241575 /nfs/dbraw/zinc/24/15/75/489241575.db2.gz QTOFOIAKIJAJSY-ROUUACIJSA-N 1 3 374.485 0.709 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000333639485 489262743 /nfs/dbraw/zinc/26/27/43/489262743.db2.gz HWKVOZRLXSMPOJ-JYJNAYRXSA-N 1 3 351.495 0.323 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738429 489269536 /nfs/dbraw/zinc/26/95/36/489269536.db2.gz XVWYCBDPMJJMLO-RYQLBKOJSA-N 1 3 366.506 0.744 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738429 489269537 /nfs/dbraw/zinc/26/95/37/489269537.db2.gz XVWYCBDPMJJMLO-RYQLBKOJSA-N 1 3 366.506 0.744 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285816635 489321862 /nfs/dbraw/zinc/32/18/62/489321862.db2.gz NPWIKZAKYZRFJL-GOSISDBHSA-N 1 3 360.502 0.687 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000285816635 489321864 /nfs/dbraw/zinc/32/18/64/489321864.db2.gz NPWIKZAKYZRFJL-GOSISDBHSA-N 1 3 360.502 0.687 20 0 FCADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)N(C)C)c1cnn(C)c1)[NH+](C)C ZINC000298724236 489357658 /nfs/dbraw/zinc/35/76/58/489357658.db2.gz WVZJDRWGOSNOEC-OAGGEKHMSA-N 1 3 366.510 0.374 20 0 FCADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)c1cnn(C)c1)N(C)C ZINC000298724236 489357660 /nfs/dbraw/zinc/35/76/60/489357660.db2.gz WVZJDRWGOSNOEC-OAGGEKHMSA-N 1 3 366.510 0.374 20 0 FCADHO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000370516291 489369585 /nfs/dbraw/zinc/36/95/85/489369585.db2.gz AIDBIOBKPCLJJC-MSOLQXFVSA-N 1 3 357.539 0.748 20 0 FCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CC(C)(C)O)CC3)C2)CC1 ZINC000370530334 489371178 /nfs/dbraw/zinc/37/11/78/489371178.db2.gz CVOXEXYFYHHKLO-INIZCTEOSA-N 1 3 367.538 0.253 20 0 FCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CC(C)(C)O)CC3)C2)CC1 ZINC000370530334 489371179 /nfs/dbraw/zinc/37/11/79/489371179.db2.gz CVOXEXYFYHHKLO-INIZCTEOSA-N 1 3 367.538 0.253 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(CC(C)(C)O)CC3)C2)CC1 ZINC000370530334 489371180 /nfs/dbraw/zinc/37/11/80/489371180.db2.gz CVOXEXYFYHHKLO-INIZCTEOSA-N 1 3 367.538 0.253 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021573 489439128 /nfs/dbraw/zinc/43/91/28/489439128.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 1 3 353.511 0.175 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021573 489439131 /nfs/dbraw/zinc/43/91/31/489439131.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 1 3 353.511 0.175 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423166999 489498748 /nfs/dbraw/zinc/49/87/48/489498748.db2.gz RRZFEEKMPCYIDR-SFHVURJKSA-N 1 3 373.501 0.844 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423164725 489499005 /nfs/dbraw/zinc/49/90/05/489499005.db2.gz PAECPLPNUSKHNT-OAHLLOKOSA-N 1 3 350.438 0.523 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423169488 489499132 /nfs/dbraw/zinc/49/91/32/489499132.db2.gz WAFZFZYMSKTBJV-ZBFHGGJFSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423163810 489499155 /nfs/dbraw/zinc/49/91/55/489499155.db2.gz NLXSVJTWYZQAAR-INIZCTEOSA-N 1 3 364.465 0.784 20 0 FCADHO COC(=O)c1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000414488063 489501098 /nfs/dbraw/zinc/50/10/98/489501098.db2.gz SWQPNVMKAMEFQN-UHFFFAOYSA-N 1 3 351.447 0.952 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423201371 489502055 /nfs/dbraw/zinc/50/20/55/489502055.db2.gz IJSNEXBABOFTJO-AWEZNQCLSA-N 1 3 368.428 0.675 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423209498 489503062 /nfs/dbraw/zinc/50/30/62/489503062.db2.gz UXHPXTNPMFIIAY-INIZCTEOSA-N 1 3 350.438 0.536 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423214232 489503205 /nfs/dbraw/zinc/50/32/05/489503205.db2.gz OLGUSHRWTHXYKU-INIZCTEOSA-N 1 3 366.506 0.158 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423261677 489508716 /nfs/dbraw/zinc/50/87/16/489508716.db2.gz SQKXOPRIFIPEKX-OALUTQOASA-N 1 3 372.513 0.953 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415419736 489519308 /nfs/dbraw/zinc/51/93/08/489519308.db2.gz VIYFTPSCZUJSNU-LBPRGKRZSA-N 1 3 354.426 0.676 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000415431504 489520526 /nfs/dbraw/zinc/52/05/26/489520526.db2.gz GMCIOMPOGKNKHJ-YJBOKZPZSA-N 1 3 373.501 0.963 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000415465636 489523324 /nfs/dbraw/zinc/52/33/24/489523324.db2.gz SKDXSHRJYZLZIH-SWLSCSKDSA-N 1 3 366.437 0.900 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415498888 489525483 /nfs/dbraw/zinc/52/54/83/489525483.db2.gz QMGZKQZPTSCBFW-CQSZACIVSA-N 1 3 366.437 0.915 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000415515260 489526379 /nfs/dbraw/zinc/52/63/79/489526379.db2.gz HTANMDDMTZBQRU-OAHLLOKOSA-N 1 3 361.490 0.474 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843525 489533338 /nfs/dbraw/zinc/53/33/38/489533338.db2.gz JIFUIQVVDHRCDS-CABCVRRESA-N 1 3 367.494 0.191 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843525 489533340 /nfs/dbraw/zinc/53/33/40/489533340.db2.gz JIFUIQVVDHRCDS-CABCVRRESA-N 1 3 367.494 0.191 20 0 FCADHO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000415601033 489534892 /nfs/dbraw/zinc/53/48/92/489534892.db2.gz PDSVDLGBBKKAPG-OAHLLOKOSA-N 1 3 361.490 0.927 20 0 FCADHO COC[C@@]1(CNC(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CCC[NH2+]1 ZINC000415716146 489544667 /nfs/dbraw/zinc/54/46/67/489544667.db2.gz ZUKQJGHKBTXGTR-IBGZPJMESA-N 1 3 362.474 0.880 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c2)CC1 ZINC000415747155 489549460 /nfs/dbraw/zinc/54/94/60/489549460.db2.gz URTFMEOIPGSYOY-UHFFFAOYSA-N 1 3 359.474 0.586 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)cc1Cl ZINC000415743821 489549681 /nfs/dbraw/zinc/54/96/81/489549681.db2.gz NSGOTKPPOYROIN-UHFFFAOYSA-N 1 3 354.838 0.649 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCCN(C)C ZINC000415753486 489550118 /nfs/dbraw/zinc/55/01/18/489550118.db2.gz YMNADQNYNCJIBT-CVEARBPZSA-N 1 3 374.485 0.942 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000415767153 489551281 /nfs/dbraw/zinc/55/12/81/489551281.db2.gz YALHRFVOXLJXKG-PIIMJCKOSA-N 1 3 371.485 0.097 20 0 FCADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000415782163 489552566 /nfs/dbraw/zinc/55/25/66/489552566.db2.gz KMWQNZMABXTLCA-OAHLLOKOSA-N 1 3 361.490 0.929 20 0 FCADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000415791310 489553387 /nfs/dbraw/zinc/55/33/87/489553387.db2.gz RRKLEAYKKIOKSA-MRXNPFEDSA-N 1 3 361.490 0.616 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)C[C@H]1[NH3+] ZINC000415837123 489557299 /nfs/dbraw/zinc/55/72/99/489557299.db2.gz YFPNACFCJSZKKP-BXUZGUMPSA-N 1 3 352.410 0.510 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000426567628 489575784 /nfs/dbraw/zinc/57/57/84/489575784.db2.gz LMOSUTNCLZHOTO-IAGOWNOFSA-N 1 3 368.522 0.510 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000555674376 491265281 /nfs/dbraw/zinc/26/52/81/491265281.db2.gz BOYGUVRZPRYIQB-MRXNPFEDSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(C)(C)OC(C)(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000456060197 489606218 /nfs/dbraw/zinc/60/62/18/489606218.db2.gz ZFAGDDWKPKGUCN-KBPBESRZSA-N 1 3 358.527 0.693 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000555700649 491266833 /nfs/dbraw/zinc/26/68/33/491266833.db2.gz QBOWAOGALJFOMM-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000555700649 491266835 /nfs/dbraw/zinc/26/68/35/491266835.db2.gz QBOWAOGALJFOMM-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000570817794 491266950 /nfs/dbraw/zinc/26/69/50/491266950.db2.gz BEQQBROZBGPRLM-UHFFFAOYSA-N 1 3 368.522 0.642 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000563763291 491268009 /nfs/dbraw/zinc/26/80/09/491268009.db2.gz RSDGWSVJDSLPNU-MRXNPFEDSA-N 1 3 356.511 0.450 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000563763291 491268010 /nfs/dbraw/zinc/26/80/10/491268010.db2.gz RSDGWSVJDSLPNU-MRXNPFEDSA-N 1 3 356.511 0.450 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417360754 489649342 /nfs/dbraw/zinc/64/93/42/489649342.db2.gz BJODAFCNMFCROT-DLBZAZTESA-N 1 3 360.506 0.972 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417363217 489649363 /nfs/dbraw/zinc/64/93/63/489649363.db2.gz AQOCGIXXVXVNEG-QZTJIDSGSA-N 1 3 372.517 0.845 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417363584 489649833 /nfs/dbraw/zinc/64/98/33/489649833.db2.gz GAERHWZICGDZEE-GOSISDBHSA-N 1 3 360.506 0.987 20 0 FCADHO CC(C)[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)N1CCN(C)CC1 ZINC000457622631 489651524 /nfs/dbraw/zinc/65/15/24/489651524.db2.gz QNRVSAYNTZHKNI-ROUUACIJSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622631 489651526 /nfs/dbraw/zinc/65/15/26/489651526.db2.gz QNRVSAYNTZHKNI-ROUUACIJSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622631 489651529 /nfs/dbraw/zinc/65/15/29/489651529.db2.gz QNRVSAYNTZHKNI-ROUUACIJSA-N 1 3 369.554 0.404 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417425998 489651555 /nfs/dbraw/zinc/65/15/55/489651555.db2.gz FNWNZTRKNSXSBO-VQHPVUNQSA-N 1 3 365.522 0.616 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417426688 489651840 /nfs/dbraw/zinc/65/18/40/489651840.db2.gz HFPHEBWTXURPLP-HZPDHXFCSA-N 1 3 353.511 0.746 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000417430840 489652603 /nfs/dbraw/zinc/65/26/03/489652603.db2.gz QDNMNCCYFPATPD-OAGGEKHMSA-N 1 3 353.511 0.698 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417429043 489652875 /nfs/dbraw/zinc/65/28/75/489652875.db2.gz MPDJOKRUNDFJAC-XHSDSOJGSA-N 1 3 353.511 0.746 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000417434028 489653387 /nfs/dbraw/zinc/65/33/87/489653387.db2.gz WJUSOGDLCWSICC-QGZVFWFLSA-N 1 3 367.538 0.960 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582725 489658888 /nfs/dbraw/zinc/65/88/88/489658888.db2.gz JFDFSSLUYKBHEK-ZIAGYGMSSA-N 1 3 365.444 0.996 20 0 FCADHO O=C(CNC[C@H]1CCCO1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417839223 489668203 /nfs/dbraw/zinc/66/82/03/489668203.db2.gz NMOCZETXVBUBPZ-MRXNPFEDSA-N 1 3 362.474 0.678 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CN1C1CC1 ZINC000417847211 489668633 /nfs/dbraw/zinc/66/86/33/489668633.db2.gz AGUDAUYCKRPGNN-IJEWVQPXSA-N 1 3 351.495 0.641 20 0 FCADHO COCC[NH2+]CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418067205 489677234 /nfs/dbraw/zinc/67/72/34/489677234.db2.gz BHCTWSYUPVCHHX-SFHVURJKSA-N 1 3 364.490 0.813 20 0 FCADHO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404018 489681178 /nfs/dbraw/zinc/68/11/78/489681178.db2.gz AXTWBOFJGANIIY-HZPDHXFCSA-N 1 3 365.522 0.700 20 0 FCADHO C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404018 489681179 /nfs/dbraw/zinc/68/11/79/489681179.db2.gz AXTWBOFJGANIIY-HZPDHXFCSA-N 1 3 365.522 0.700 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373329068 489683705 /nfs/dbraw/zinc/68/37/05/489683705.db2.gz UIUHDDBCZQHNGC-UHFFFAOYSA-N 1 3 364.494 0.936 20 0 FCADHO COC[C@]1(CNC(=O)NCc2ccncc2OCCN(C)C)CCC[NH2+]1 ZINC000418197817 489684169 /nfs/dbraw/zinc/68/41/69/489684169.db2.gz UECDRBIQUCVVLM-GOSISDBHSA-N 1 3 365.478 0.590 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429446087 489687767 /nfs/dbraw/zinc/68/77/67/489687767.db2.gz GMRVDUBFAGJAMK-HZPDHXFCSA-N 1 3 364.556 0.545 20 0 FCADHO O=C(CNC(=O)NCC[C@H]1CCC[NH2+]C1)NCCN1CCCCCC1 ZINC000418343403 489692867 /nfs/dbraw/zinc/69/28/67/489692867.db2.gz JMPVLTATAYPJHD-MRXNPFEDSA-N 1 3 353.511 0.668 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418352167 489693613 /nfs/dbraw/zinc/69/36/13/489693613.db2.gz SLKJBCGJFYCUDO-MRXNPFEDSA-N 1 3 353.511 0.572 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418398350 489695871 /nfs/dbraw/zinc/69/58/71/489695871.db2.gz CRLPWJDHHAYKMT-HZPDHXFCSA-N 1 3 353.511 0.700 20 0 FCADHO CCN1CCN(C(=O)CC2CC[NH+](CCN3CCCOCC3)CC2)CC1 ZINC000429679806 489696699 /nfs/dbraw/zinc/69/66/99/489696699.db2.gz RJWLGFNMSYETOL-UHFFFAOYSA-N 1 3 366.550 0.975 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418484778 489701898 /nfs/dbraw/zinc/70/18/98/489701898.db2.gz DRGUBEJQFJVTDW-IRXDYDNUSA-N 1 3 361.490 0.312 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000418565585 489707920 /nfs/dbraw/zinc/70/79/20/489707920.db2.gz VNTIAMPXUWEETF-JENIJYKNSA-N 1 3 362.474 0.507 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NCCC[NH+]1CCC(O)CC1 ZINC000469560538 489712374 /nfs/dbraw/zinc/71/23/74/489712374.db2.gz NOXVQXCQISJUNU-UHFFFAOYSA-N 1 3 353.507 0.985 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000570921399 491273435 /nfs/dbraw/zinc/27/34/35/491273435.db2.gz ZNJPQDAPEUWDBS-YRGVVPAESA-N 1 3 355.523 0.424 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000570921399 491273436 /nfs/dbraw/zinc/27/34/36/491273436.db2.gz ZNJPQDAPEUWDBS-YRGVVPAESA-N 1 3 355.523 0.424 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000489542010 489716617 /nfs/dbraw/zinc/71/66/17/489716617.db2.gz AAOIXSUPZYBTFM-QZTJIDSGSA-N 1 3 369.554 0.549 20 0 FCADHO [NH3+][C@H]1CCC[C@H](CNC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418733220 489720535 /nfs/dbraw/zinc/72/05/35/489720535.db2.gz VBKRYNFVNAPGDK-HOTGVXAUSA-N 1 3 353.511 0.795 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCCO1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418794667 489728634 /nfs/dbraw/zinc/72/86/34/489728634.db2.gz RKXUVMUFCNHHGI-IEBWSBKVSA-N 1 3 362.474 0.301 20 0 FCADHO CN1CC[N@H+](CCCNCc2cn(CC(N)=O)nn2)[C@H](c2ccccc2)C1 ZINC000459370834 489729076 /nfs/dbraw/zinc/72/90/76/489729076.db2.gz RNYPBYUOFJQHSX-SFHVURJKSA-N 1 3 371.489 0.232 20 0 FCADHO CN1CC[N@@H+](CCCNCc2cn(CC(N)=O)nn2)[C@H](c2ccccc2)C1 ZINC000459370834 489729077 /nfs/dbraw/zinc/72/90/77/489729077.db2.gz RNYPBYUOFJQHSX-SFHVURJKSA-N 1 3 371.489 0.232 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829952 489742962 /nfs/dbraw/zinc/74/29/62/489742962.db2.gz FHOJWAOTRTXBAH-PXNSSMCTSA-N 1 3 360.502 0.781 20 0 FCADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000570964377 491276671 /nfs/dbraw/zinc/27/66/71/491276671.db2.gz QSPDYCWFSAPQAQ-QGZVFWFLSA-N 1 3 370.519 0.346 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000418852216 489757739 /nfs/dbraw/zinc/75/77/39/489757739.db2.gz QKIJEMRNXKZETR-KRWDZBQOSA-N 1 3 360.502 0.781 20 0 FCADHO [NH3+]CC1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000430645160 489761689 /nfs/dbraw/zinc/76/16/89/489761689.db2.gz ZNBVBWCCDSZZLA-UHFFFAOYSA-N 1 3 372.513 0.936 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCCO1 ZINC000418879704 489772659 /nfs/dbraw/zinc/77/26/59/489772659.db2.gz NXFLMHGWVBQNEG-LTIDMASMSA-N 1 3 366.506 0.189 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459894668 489783720 /nfs/dbraw/zinc/78/37/20/489783720.db2.gz IRJXHCQFHHXCQF-MOPGFXCFSA-N 1 3 372.513 0.987 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459894668 489783721 /nfs/dbraw/zinc/78/37/21/489783721.db2.gz IRJXHCQFHHXCQF-MOPGFXCFSA-N 1 3 372.513 0.987 20 0 FCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431030436 489785310 /nfs/dbraw/zinc/78/53/10/489785310.db2.gz MXFSQMZSLWKERM-UHFFFAOYSA-N 1 3 360.458 0.242 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@@H](CN)C1 ZINC000418921423 489792137 /nfs/dbraw/zinc/79/21/37/489792137.db2.gz JJSZWMLKHBWLPY-MKSNKDDYSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CN1C1CC1 ZINC000431280878 489798730 /nfs/dbraw/zinc/79/87/30/489798730.db2.gz CQMGUTGRJTYOIE-CVEARBPZSA-N 1 3 365.522 0.903 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000418955610 489803201 /nfs/dbraw/zinc/80/32/01/489803201.db2.gz XZJMDZNRMSLZHW-KBAYOESNSA-N 1 3 358.486 0.691 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418981002 489809688 /nfs/dbraw/zinc/80/96/88/489809688.db2.gz GDBQNRQBVUTYHY-CZUORRHYSA-N 1 3 362.474 0.594 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000459997769 489813005 /nfs/dbraw/zinc/81/30/05/489813005.db2.gz UDZYACVWAPLRAF-ROUUACIJSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997769 489813010 /nfs/dbraw/zinc/81/30/10/489813010.db2.gz UDZYACVWAPLRAF-ROUUACIJSA-N 1 3 364.534 0.977 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005026 489814938 /nfs/dbraw/zinc/81/49/38/489814938.db2.gz RKUHUFALVYBTFC-LSDHHAIUSA-N 1 3 354.495 0.454 20 0 FCADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419020184 489820256 /nfs/dbraw/zinc/82/02/56/489820256.db2.gz RRTLYARTRJBTGM-SFHVURJKSA-N 1 3 374.485 0.393 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419030254 489825418 /nfs/dbraw/zinc/82/54/18/489825418.db2.gz SVVMWUAXXBMADF-BPKGMFCQSA-N 1 3 368.522 0.434 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419031990 489826408 /nfs/dbraw/zinc/82/64/08/489826408.db2.gz VXBHULWHPPHBRB-OLMMMNRUSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419034026 489827517 /nfs/dbraw/zinc/82/75/17/489827517.db2.gz YYIVQSXTFXNRSP-CABCVRRESA-N 1 3 354.495 0.108 20 0 FCADHO [NH3+]CCCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419036656 489828701 /nfs/dbraw/zinc/82/87/01/489828701.db2.gz PKXJKYQKRCKTDV-UHFFFAOYSA-N 1 3 356.536 0.709 20 0 FCADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CNCCO1 ZINC000419069907 489844280 /nfs/dbraw/zinc/84/42/80/489844280.db2.gz JLSUEVLCSYZNJY-GOSISDBHSA-N 1 3 374.485 0.119 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419079963 489848696 /nfs/dbraw/zinc/84/86/96/489848696.db2.gz NYGBTTPTALMKHL-VVLHAWIVSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)c1noc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000460154342 489853106 /nfs/dbraw/zinc/85/31/06/489853106.db2.gz CFFUCOSWJOHLIS-UHFFFAOYSA-N 1 3 365.482 0.493 20 0 FCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000420012523 489880589 /nfs/dbraw/zinc/88/05/89/489880589.db2.gz AYHKAXFODFJFMP-HUUCEWRRSA-N 1 3 356.511 0.793 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020274 489883220 /nfs/dbraw/zinc/88/32/20/489883220.db2.gz FBRGOAMOFKOWJA-JQHSSLGASA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020274 489883223 /nfs/dbraw/zinc/88/32/23/489883223.db2.gz FBRGOAMOFKOWJA-JQHSSLGASA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030615 489887455 /nfs/dbraw/zinc/88/74/55/489887455.db2.gz GOMRMXPKQOEFKL-ZFWWWQNUSA-N 1 3 366.462 0.399 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420039855 489889939 /nfs/dbraw/zinc/88/99/39/489889939.db2.gz OGZFDBIHTZOHAD-INMHGKMJSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420039855 489889943 /nfs/dbraw/zinc/88/99/43/489889943.db2.gz OGZFDBIHTZOHAD-INMHGKMJSA-N 1 3 350.507 0.953 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420050589 489894052 /nfs/dbraw/zinc/89/40/52/489894052.db2.gz ZEJJDIAAOQADSN-SOUVJXGZSA-N 1 3 354.495 0.406 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420050589 489894054 /nfs/dbraw/zinc/89/40/54/489894054.db2.gz ZEJJDIAAOQADSN-SOUVJXGZSA-N 1 3 354.495 0.406 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062010 489899262 /nfs/dbraw/zinc/89/92/62/489899262.db2.gz MJAALQOMKDVYEQ-ZFWWWQNUSA-N 1 3 354.495 0.406 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N[C@H](CN)C3CC3)C2)CC1 ZINC000420063841 489900008 /nfs/dbraw/zinc/90/00/08/489900008.db2.gz NXVCUPKOUHFZSV-DOTOQJQBSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097684 489911128 /nfs/dbraw/zinc/91/11/28/489911128.db2.gz AFQJTXLYLKSDQH-RHSMWYFYSA-N 1 3 364.465 0.973 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000420151162 489932605 /nfs/dbraw/zinc/93/26/05/489932605.db2.gz BBAHQEKKNDSGLL-OAHLLOKOSA-N 1 3 361.490 0.871 20 0 FCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000420153571 489933460 /nfs/dbraw/zinc/93/34/60/489933460.db2.gz ZZJSNHRLDKSGAC-MAUKXSAKSA-N 1 3 373.501 0.871 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420173064 489939526 /nfs/dbraw/zinc/93/95/26/489939526.db2.gz WJBATKOJNNPQQJ-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420190268 489946679 /nfs/dbraw/zinc/94/66/79/489946679.db2.gz PHXKDWDSRAHGOM-CQSZACIVSA-N 1 3 368.503 0.133 20 0 FCADHO C[C@]1(O)CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420205645 489952242 /nfs/dbraw/zinc/95/22/42/489952242.db2.gz NUWDXWMERIACPY-IBGZPJMESA-N 1 3 374.485 0.079 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420212803 489953730 /nfs/dbraw/zinc/95/37/30/489953730.db2.gz YDDXDDSWSHYTMI-INIZCTEOSA-N 1 3 358.486 0.965 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000377931439 489981752 /nfs/dbraw/zinc/98/17/52/489981752.db2.gz JGKBXAFQVZFIFM-KSZLIROESA-N 1 3 368.522 0.992 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420473207 489982604 /nfs/dbraw/zinc/98/26/04/489982604.db2.gz DGZZEINAJMKIJN-WFASDCNBSA-N 1 3 357.524 0.667 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477683516 489984090 /nfs/dbraw/zinc/98/40/90/489984090.db2.gz OQPWHOGVVPOIOO-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477683516 489984094 /nfs/dbraw/zinc/98/40/94/489984094.db2.gz OQPWHOGVVPOIOO-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000477705240 489986309 /nfs/dbraw/zinc/98/63/09/489986309.db2.gz URJQLJGYICVBBO-UHFFFAOYSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000378590738 490106957 /nfs/dbraw/zinc/10/69/57/490106957.db2.gz QTMWPBLIRJCYSG-UHFFFAOYSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000382757728 490128488 /nfs/dbraw/zinc/12/84/88/490128488.db2.gz RIIHQALKVLEHSB-SFHVURJKSA-N 1 3 358.486 0.789 20 0 FCADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000382757728 490128494 /nfs/dbraw/zinc/12/84/94/490128494.db2.gz RIIHQALKVLEHSB-SFHVURJKSA-N 1 3 358.486 0.789 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556206799 491303082 /nfs/dbraw/zinc/30/30/82/491303082.db2.gz NXILGLPPOASTRR-MAUKXSAKSA-N 1 3 370.563 0.634 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556206799 491303084 /nfs/dbraw/zinc/30/30/84/491303084.db2.gz NXILGLPPOASTRR-MAUKXSAKSA-N 1 3 370.563 0.634 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272731 490156119 /nfs/dbraw/zinc/15/61/19/490156119.db2.gz UKNIZEZYJWMKSY-ZTENYAIWSA-N 1 3 366.506 0.223 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272731 490156128 /nfs/dbraw/zinc/15/61/28/490156128.db2.gz UKNIZEZYJWMKSY-ZTENYAIWSA-N 1 3 366.506 0.223 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465960091 490158978 /nfs/dbraw/zinc/15/89/78/490158978.db2.gz SMLHFBSJVZNHJJ-MRXNPFEDSA-N 1 3 355.527 0.803 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465960091 490158983 /nfs/dbraw/zinc/15/89/83/490158983.db2.gz SMLHFBSJVZNHJJ-MRXNPFEDSA-N 1 3 355.527 0.803 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548747 490160229 /nfs/dbraw/zinc/16/02/29/490160229.db2.gz OQBMPWGFOFTFRY-CHWSQXEVSA-N 1 3 351.417 0.558 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000520548750 490160301 /nfs/dbraw/zinc/16/03/01/490160301.db2.gz OQBMPWGFOFTFRY-STQMWFEESA-N 1 3 351.417 0.558 20 0 FCADHO C[C@H]1COCCN1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000520615435 490172184 /nfs/dbraw/zinc/17/21/84/490172184.db2.gz XHBGUKPQWZNKGX-INIZCTEOSA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401120 491305057 /nfs/dbraw/zinc/30/50/57/491305057.db2.gz PYNVTMUBRWYQIF-FUHWJXTLSA-N 1 3 362.522 0.811 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502801 490191747 /nfs/dbraw/zinc/19/17/47/490191747.db2.gz ITYJZFQYAVVRTE-IJEWVQPXSA-N 1 3 351.495 0.356 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000466502801 490191756 /nfs/dbraw/zinc/19/17/56/490191756.db2.gz ITYJZFQYAVVRTE-IJEWVQPXSA-N 1 3 351.495 0.356 20 0 FCADHO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)NCCN1CCCCC1 ZINC000508709284 490351818 /nfs/dbraw/zinc/35/18/18/490351818.db2.gz KJMPVSJXKOEBCY-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCC[C@@H]1C ZINC000448488090 490356635 /nfs/dbraw/zinc/35/66/35/490356635.db2.gz OTQKWBWVVRCSKX-GJZGRUSLSA-N 1 3 364.494 0.762 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000571642253 491320380 /nfs/dbraw/zinc/32/03/80/491320380.db2.gz KHAOXFBLYLTKOK-KGLIPLIRSA-N 1 3 352.454 0.958 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422496347 490361327 /nfs/dbraw/zinc/36/13/27/490361327.db2.gz TZKWQCPQNHYVQW-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422496347 490361333 /nfs/dbraw/zinc/36/13/33/490361333.db2.gz TZKWQCPQNHYVQW-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000522267922 490364406 /nfs/dbraw/zinc/36/44/06/490364406.db2.gz YCAMANUAMNZPHW-SFHVURJKSA-N 1 3 369.554 0.406 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000522267922 490364410 /nfs/dbraw/zinc/36/44/10/490364410.db2.gz YCAMANUAMNZPHW-SFHVURJKSA-N 1 3 369.554 0.406 20 0 FCADHO CNC(=O)[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000522308446 490368309 /nfs/dbraw/zinc/36/83/09/490368309.db2.gz ODCICNNNAUSTJU-HNNXBMFYSA-N 1 3 365.522 0.713 20 0 FCADHO CNC(=O)[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000522308447 490369044 /nfs/dbraw/zinc/36/90/44/490369044.db2.gz ODCICNNNAUSTJU-OAHLLOKOSA-N 1 3 365.522 0.713 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCCCC1 ZINC000571658703 491321242 /nfs/dbraw/zinc/32/12/42/491321242.db2.gz QKTIBQCJGQATMK-HUUCEWRRSA-N 1 3 351.495 0.594 20 0 FCADHO CC1[C@@H](C(=O)N2CCN(C)CC[C@@H]2C)[C@@H]1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000449856340 490431784 /nfs/dbraw/zinc/43/17/84/490431784.db2.gz MWYKHQLWGGBHBY-CWLKWCNXSA-N 1 3 364.534 0.974 20 0 FCADHO CC1[C@@H](C(=O)N2CCN(C)CC[C@@H]2C)[C@@H]1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000449856340 490431788 /nfs/dbraw/zinc/43/17/88/490431788.db2.gz MWYKHQLWGGBHBY-CWLKWCNXSA-N 1 3 364.534 0.974 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210430 490448977 /nfs/dbraw/zinc/44/89/77/490448977.db2.gz ZEQABIPVQIVJFW-IRXDYDNUSA-N 1 3 367.538 0.959 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523210430 490448987 /nfs/dbraw/zinc/44/89/87/490448987.db2.gz ZEQABIPVQIVJFW-IRXDYDNUSA-N 1 3 367.538 0.959 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000509712783 490454432 /nfs/dbraw/zinc/45/44/32/490454432.db2.gz ISRWGOQGQYQAMQ-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@@H+](C)CCCOC ZINC000509712783 490454441 /nfs/dbraw/zinc/45/44/41/490454441.db2.gz ISRWGOQGQYQAMQ-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422714586 490463622 /nfs/dbraw/zinc/46/36/22/490463622.db2.gz LDHSXUOMQFSXBH-QZTJIDSGSA-N 1 3 362.522 0.735 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000509811096 490467449 /nfs/dbraw/zinc/46/74/49/490467449.db2.gz JDQDTQALNNPHAC-INMHGKMJSA-N 1 3 356.511 0.339 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000509811096 490467454 /nfs/dbraw/zinc/46/74/54/490467454.db2.gz JDQDTQALNNPHAC-INMHGKMJSA-N 1 3 356.511 0.339 20 0 FCADHO CCOC(=O)C1([C@H](C)N[C@H](CC)C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000422846246 490484439 /nfs/dbraw/zinc/48/44/39/490484439.db2.gz FEPIQQFWRBHWFS-LSDHHAIUSA-N 1 3 355.479 0.535 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676474 490511513 /nfs/dbraw/zinc/51/15/13/490511513.db2.gz NYNCIMUIRRZYRZ-OAHLLOKOSA-N 1 3 360.462 0.923 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676474 490511519 /nfs/dbraw/zinc/51/15/19/490511519.db2.gz NYNCIMUIRRZYRZ-OAHLLOKOSA-N 1 3 360.462 0.923 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499885 490535671 /nfs/dbraw/zinc/53/56/71/490535671.db2.gz DRDOKNWBPRLWDV-LSDHHAIUSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499885 490535675 /nfs/dbraw/zinc/53/56/75/490535675.db2.gz DRDOKNWBPRLWDV-LSDHHAIUSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510807363 490541342 /nfs/dbraw/zinc/54/13/42/490541342.db2.gz BOCLPQJNFPJYOD-DLBZAZTESA-N 1 3 360.568 0.853 20 0 FCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000485847807 490563026 /nfs/dbraw/zinc/56/30/26/490563026.db2.gz RVFDAVLFSIAIEU-LMMKCTJWSA-N 1 3 364.534 0.724 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](COC(F)F)C1 ZINC000556795379 491337590 /nfs/dbraw/zinc/33/75/90/491337590.db2.gz LWGWOSYAQOCJJP-ZDUSSCGKSA-N 1 3 364.437 0.026 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021034 490639027 /nfs/dbraw/zinc/63/90/27/490639027.db2.gz ZGFFZBRHHJBCNT-HZPDHXFCSA-N 1 3 367.538 0.057 20 0 FCADHO C[NH+](C)C1(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000525823898 490639363 /nfs/dbraw/zinc/63/93/63/490639363.db2.gz XYDJSFKLOGGGGB-FQEVSTJZSA-N 1 3 361.486 0.850 20 0 FCADHO COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000550295658 490655936 /nfs/dbraw/zinc/65/59/36/490655936.db2.gz FMOCSEXHSAHHJQ-UHFFFAOYSA-N 1 3 350.463 0.263 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C)C1CC1 ZINC000572037387 491344679 /nfs/dbraw/zinc/34/46/79/491344679.db2.gz GKGWKVMRQGGEIQ-XYPHTWIQSA-N 1 3 366.506 0.079 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000527124058 490701007 /nfs/dbraw/zinc/70/10/07/490701007.db2.gz GVHRNBJNBBJGHH-UHFFFAOYSA-N 1 3 372.473 0.967 20 0 FCADHO COC(=O)c1sccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527124357 490701632 /nfs/dbraw/zinc/70/16/32/490701632.db2.gz OAYLEPPDWGMIAM-UHFFFAOYSA-N 1 3 370.475 0.425 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000527236138 490710499 /nfs/dbraw/zinc/71/04/99/490710499.db2.gz RQXOOHSJMZGTTC-WBVHZDCISA-N 1 3 365.478 0.752 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015092 491349778 /nfs/dbraw/zinc/34/97/78/491349778.db2.gz BFCQJIWTYSNGKR-SJORKVTESA-N 1 3 367.538 0.070 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210873 490766494 /nfs/dbraw/zinc/76/64/94/490766494.db2.gz KQYAPGASFDZWAW-QZTJIDSGSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210873 490766496 /nfs/dbraw/zinc/76/64/96/490766496.db2.gz KQYAPGASFDZWAW-QZTJIDSGSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210873 490766497 /nfs/dbraw/zinc/76/64/97/490766497.db2.gz KQYAPGASFDZWAW-QZTJIDSGSA-N 1 3 354.539 0.877 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000514661657 490778808 /nfs/dbraw/zinc/77/88/08/490778808.db2.gz KBXPVAPWAISKMZ-HUUCEWRRSA-N 1 3 360.458 0.906 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@H]3C(N)=O)CC2)CC1 ZINC000565190213 491358969 /nfs/dbraw/zinc/35/89/69/491358969.db2.gz SIOFMNQVXSHOHO-INIZCTEOSA-N 1 3 368.547 0.612 20 0 FCADHO COC[C@]1(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000514934631 490798727 /nfs/dbraw/zinc/79/87/27/490798727.db2.gz LSYQGMYQLLVEJT-NRFANRHFSA-N 1 3 374.529 0.889 20 0 FCADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1conc1C(C)(C)N ZINC000515073948 490807757 /nfs/dbraw/zinc/80/77/57/490807757.db2.gz VQRXNWXRNCRBNA-CYBMUJFWSA-N 1 3 351.451 0.541 20 0 FCADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1conc1C(C)(C)N ZINC000515073948 490807760 /nfs/dbraw/zinc/80/77/60/490807760.db2.gz VQRXNWXRNCRBNA-CYBMUJFWSA-N 1 3 351.451 0.541 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)NCCN1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC000515346944 490820637 /nfs/dbraw/zinc/82/06/37/490820637.db2.gz HCPHOTLHCYCDQX-HOTGVXAUSA-N 1 3 350.507 0.825 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)C3(C)C)CC2)CC1 ZINC000565181102 491358019 /nfs/dbraw/zinc/35/80/19/491358019.db2.gz LNOKMLXLGIUDRH-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNS(=O)(=O)CC)CC2)CC1 ZINC000515864897 490841605 /nfs/dbraw/zinc/84/16/05/490841605.db2.gz PVMGXDVGMIQHEJ-UHFFFAOYSA-N 1 3 374.551 0.238 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872193 490842226 /nfs/dbraw/zinc/84/22/26/490842226.db2.gz VCJUAXOPWCUSIX-UBDQQSCGSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872193 490842229 /nfs/dbraw/zinc/84/22/29/490842229.db2.gz VCJUAXOPWCUSIX-UBDQQSCGSA-N 1 3 371.485 0.603 20 0 FCADHO CC(C)[C@@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303545 490848792 /nfs/dbraw/zinc/84/87/92/490848792.db2.gz OIJXUOCYKPVZQM-CVEARBPZSA-N 1 3 353.511 0.569 20 0 FCADHO CC(C)[C@@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303545 490848795 /nfs/dbraw/zinc/84/87/95/490848795.db2.gz OIJXUOCYKPVZQM-CVEARBPZSA-N 1 3 353.511 0.569 20 0 FCADHO CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224458 491361518 /nfs/dbraw/zinc/36/15/18/491361518.db2.gz JENATBPKJNDRCU-APWZRJJASA-N 1 3 360.458 0.496 20 0 FCADHO CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224458 491361519 /nfs/dbraw/zinc/36/15/19/491361519.db2.gz JENATBPKJNDRCU-APWZRJJASA-N 1 3 360.458 0.496 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000516102087 490851130 /nfs/dbraw/zinc/85/11/30/490851130.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 1 3 351.499 0.038 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000516102087 490851133 /nfs/dbraw/zinc/85/11/33/490851133.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 1 3 351.499 0.038 20 0 FCADHO CCCc1cnc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000572339778 491363314 /nfs/dbraw/zinc/36/33/14/491363314.db2.gz XMCZQCLFCNINOY-UHFFFAOYSA-N 1 3 355.508 0.986 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000516997201 490890057 /nfs/dbraw/zinc/89/00/57/490890057.db2.gz BYDRWQJBPQQDOE-OAHLLOKOSA-N 1 3 366.506 0.322 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000516997200 490890269 /nfs/dbraw/zinc/89/02/69/490890269.db2.gz BYDRWQJBPQQDOE-HNNXBMFYSA-N 1 3 366.506 0.322 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)c3ccc4c(ccn4CCC[NH3+])c3)CCN2C1=O ZINC000565237000 491363513 /nfs/dbraw/zinc/36/35/13/491363513.db2.gz OTBPFAQCPDULII-CVEARBPZSA-N 1 3 355.442 0.374 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000542777818 490908499 /nfs/dbraw/zinc/90/84/99/490908499.db2.gz CCWGOKQUBDSPMG-NVXWUHKLSA-N 1 3 365.522 0.665 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)COC3CCC([NH3+])CC3)C2)CC1 ZINC000517563573 490912085 /nfs/dbraw/zinc/91/20/85/490912085.db2.gz UXDZHWWKJDVZQA-ADKAHSJRSA-N 1 3 352.523 0.900 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000517895535 490923802 /nfs/dbraw/zinc/92/38/02/490923802.db2.gz VEKIUSLMHKTBRL-HUUCEWRRSA-N 1 3 360.458 0.763 20 0 FCADHO CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000530880858 490929769 /nfs/dbraw/zinc/92/97/69/490929769.db2.gz UUWAVMINLJEKSW-UHFFFAOYSA-N 1 3 370.519 0.550 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000565252987 491365972 /nfs/dbraw/zinc/36/59/72/491365972.db2.gz GNSUTALWUFPLPN-ROUUACIJSA-N 1 3 358.486 0.630 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252968 491366073 /nfs/dbraw/zinc/36/60/73/491366073.db2.gz FZXVTQIFIYOGPQ-PVAVHDDUSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252968 491366076 /nfs/dbraw/zinc/36/60/76/491366076.db2.gz FZXVTQIFIYOGPQ-PVAVHDDUSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518738561 490949576 /nfs/dbraw/zinc/94/95/76/490949576.db2.gz ZVJIQKIYMVSCDD-ZNMIVQPWSA-N 1 3 352.479 0.302 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565256389 491366252 /nfs/dbraw/zinc/36/62/52/491366252.db2.gz ZJURSNJBKHCQBO-OAGGEKHMSA-N 1 3 365.522 0.840 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565256389 491366254 /nfs/dbraw/zinc/36/62/54/491366254.db2.gz ZJURSNJBKHCQBO-OAGGEKHMSA-N 1 3 365.522 0.840 20 0 FCADHO CC(=O)N1CCCN(C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000519541565 490975285 /nfs/dbraw/zinc/97/52/85/490975285.db2.gz CPSRWWAJMLMLFF-IRXDYDNUSA-N 1 3 351.495 0.324 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000532264884 490990103 /nfs/dbraw/zinc/99/01/03/490990103.db2.gz ZMXJSEQJRGMULI-BBWFWOEESA-N 1 3 354.495 0.384 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000557554531 491382157 /nfs/dbraw/zinc/38/21/57/491382157.db2.gz MPDKFALJADESOM-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565202 491383713 /nfs/dbraw/zinc/38/37/13/491383713.db2.gz XEOQMTIENWIZDC-ZBFHGGJFSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565202 491383715 /nfs/dbraw/zinc/38/37/15/491383715.db2.gz XEOQMTIENWIZDC-ZBFHGGJFSA-N 1 3 350.507 0.776 20 0 FCADHO NCc1nnc(-c2ccc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)cc2)[nH]1 ZINC000566067719 491415749 /nfs/dbraw/zinc/41/57/49/491415749.db2.gz YCDINRUUXPKAMF-NSHDSACASA-N 1 3 352.402 0.983 20 0 FCADHO CC(C)(CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000566166078 491421816 /nfs/dbraw/zinc/42/18/16/491421816.db2.gz YBQJEHAPCCTNPG-KRWDZBQOSA-N 1 3 358.486 0.808 20 0 FCADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000566180280 491423324 /nfs/dbraw/zinc/42/33/24/491423324.db2.gz APNZADNHBNSLIO-MSOLQXFVSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000566193850 491424648 /nfs/dbraw/zinc/42/46/48/491424648.db2.gz NLGGEXZQTUNQAT-HNNXBMFYSA-N 1 3 350.467 0.385 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000573313644 491425865 /nfs/dbraw/zinc/42/58/65/491425865.db2.gz FCXLUWJMRZMYSM-UHFFFAOYSA-N 1 3 364.494 0.875 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000573429824 491432714 /nfs/dbraw/zinc/43/27/14/491432714.db2.gz GQYRYCKYONOZSU-FHULIHMCSA-N 1 3 350.507 0.665 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000573429825 491432776 /nfs/dbraw/zinc/43/27/76/491432776.db2.gz GQYRYCKYONOZSU-FQMQPWHVSA-N 1 3 350.507 0.665 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000566288850 491433183 /nfs/dbraw/zinc/43/31/83/491433183.db2.gz NCURUQFPUVKXFR-OAGGEKHMSA-N 1 3 364.494 0.649 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000573637775 491445595 /nfs/dbraw/zinc/44/55/95/491445595.db2.gz BETWLZNIQSXNML-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000573637775 491445597 /nfs/dbraw/zinc/44/55/97/491445597.db2.gz BETWLZNIQSXNML-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496567 491449005 /nfs/dbraw/zinc/44/90/05/491449005.db2.gz SAUHAULPYJQSRS-KZNAEPCWSA-N 1 3 356.470 0.669 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496567 491449007 /nfs/dbraw/zinc/44/90/07/491449007.db2.gz SAUHAULPYJQSRS-KZNAEPCWSA-N 1 3 356.470 0.669 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000566562120 491453213 /nfs/dbraw/zinc/45/32/13/491453213.db2.gz HQMCQXVBBWLLSI-QYZOEREBSA-N 1 3 360.502 0.061 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000566562120 491453215 /nfs/dbraw/zinc/45/32/15/491453215.db2.gz HQMCQXVBBWLLSI-QYZOEREBSA-N 1 3 360.502 0.061 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000566728277 491462811 /nfs/dbraw/zinc/46/28/11/491462811.db2.gz VHPIWHHZRUBSCW-DLBZAZTESA-N 1 3 359.474 0.634 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000559410601 491470303 /nfs/dbraw/zinc/47/03/03/491470303.db2.gz AEDIPDNMLPBLBN-GOSISDBHSA-N 1 3 360.502 0.876 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145930 491477166 /nfs/dbraw/zinc/47/71/66/491477166.db2.gz QZVCTALNRCEEKQ-BFYDXBDKSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145930 491477168 /nfs/dbraw/zinc/47/71/68/491477168.db2.gz QZVCTALNRCEEKQ-BFYDXBDKSA-N 1 3 366.506 0.202 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000574224373 491482451 /nfs/dbraw/zinc/48/24/51/491482451.db2.gz NEUHXTZHIWKJJI-UHFFFAOYSA-N 1 3 354.495 0.014 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559574786 491482549 /nfs/dbraw/zinc/48/25/49/491482549.db2.gz NCHQEVBGXZZWKU-INIZCTEOSA-N 1 3 362.518 0.920 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559574786 491482550 /nfs/dbraw/zinc/48/25/50/491482550.db2.gz NCHQEVBGXZZWKU-INIZCTEOSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567062558 491483715 /nfs/dbraw/zinc/48/37/15/491483715.db2.gz ANNWHVVVOIUAOY-ZWKOTPCHSA-N 1 3 373.501 0.980 20 0 FCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567062558 491483718 /nfs/dbraw/zinc/48/37/18/491483718.db2.gz ANNWHVVVOIUAOY-ZWKOTPCHSA-N 1 3 373.501 0.980 20 0 FCADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](CN)C1 ZINC000574262791 491484470 /nfs/dbraw/zinc/48/44/70/491484470.db2.gz SIWICNWAKOGPQV-QGZVFWFLSA-N 1 3 365.522 0.001 20 0 FCADHO CC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339811 491490522 /nfs/dbraw/zinc/49/05/22/491490522.db2.gz VYKHAWDRZRPJGL-YLJYHZDGSA-N 1 3 374.485 0.886 20 0 FCADHO CC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339811 491490524 /nfs/dbraw/zinc/49/05/24/491490524.db2.gz VYKHAWDRZRPJGL-YLJYHZDGSA-N 1 3 374.485 0.886 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000574446543 491497202 /nfs/dbraw/zinc/49/72/02/491497202.db2.gz FBODPZFYGQPGIM-JKSUJKDBSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000574446543 491497204 /nfs/dbraw/zinc/49/72/04/491497204.db2.gz FBODPZFYGQPGIM-JKSUJKDBSA-N 1 3 355.527 0.957 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567356388 491501729 /nfs/dbraw/zinc/50/17/29/491501729.db2.gz JRQLGPMIUZDUGO-IEBWSBKVSA-N 1 3 352.523 0.805 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868680 491506758 /nfs/dbraw/zinc/50/67/58/491506758.db2.gz TUQQWBPKODZGEE-CRAIPNDOSA-N 1 3 368.547 0.484 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488052 491509445 /nfs/dbraw/zinc/50/94/45/491509445.db2.gz DNCJJRASMHPVFF-NJAFHUGGSA-N 1 3 373.501 0.850 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488052 491509447 /nfs/dbraw/zinc/50/94/47/491509447.db2.gz DNCJJRASMHPVFF-NJAFHUGGSA-N 1 3 373.501 0.850 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000559923077 491510011 /nfs/dbraw/zinc/51/00/11/491510011.db2.gz PFWMQOWOWZHCCK-KRWDZBQOSA-N 1 3 368.522 0.261 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000567861792 491535491 /nfs/dbraw/zinc/53/54/91/491535491.db2.gz ZIBNPLMZMRFNMG-UHFFFAOYSA-N 1 3 369.535 0.826 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567982565 491544528 /nfs/dbraw/zinc/54/45/28/491544528.db2.gz BGUBVDHICUXVLA-IEBWSBKVSA-N 1 3 352.523 0.759 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567982564 491544645 /nfs/dbraw/zinc/54/46/45/491544645.db2.gz BGUBVDHICUXVLA-HKUYNNGSSA-N 1 3 352.523 0.759 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596234 491546434 /nfs/dbraw/zinc/54/64/34/491546434.db2.gz LRTVFGLTRCEACS-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000560596922 491546509 /nfs/dbraw/zinc/54/65/09/491546509.db2.gz YWTGALVHYWTKMG-VVLHAWIVSA-N 1 3 368.522 0.543 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000560596922 491546512 /nfs/dbraw/zinc/54/65/12/491546512.db2.gz YWTGALVHYWTKMG-VVLHAWIVSA-N 1 3 368.522 0.543 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC12CCC2 ZINC000560637394 491548016 /nfs/dbraw/zinc/54/80/16/491548016.db2.gz DGLPTVCZTUZWBL-INIZCTEOSA-N 1 3 352.523 0.977 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321355 491548894 /nfs/dbraw/zinc/54/88/94/491548894.db2.gz YLOQAPUNRUZXTA-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(F)cc1 ZINC000575818488 491563046 /nfs/dbraw/zinc/56/30/46/491563046.db2.gz MUVQMWWSULEHSB-UHFFFAOYSA-N 1 3 352.454 0.436 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC1CCOCC1 ZINC000575847976 491565061 /nfs/dbraw/zinc/56/50/61/491565061.db2.gz IDVROIVXGVXVPU-UHFFFAOYSA-N 1 3 356.511 0.213 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000576293250 491602573 /nfs/dbraw/zinc/60/25/73/491602573.db2.gz NXJBPPATVIQWIU-ROUUACIJSA-N 1 3 358.486 0.630 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@H]21 ZINC000576338367 491606426 /nfs/dbraw/zinc/60/64/26/491606426.db2.gz GSMTVQGVPXWHRG-FCGDIQPGSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@H]21 ZINC000576338367 491606429 /nfs/dbraw/zinc/60/64/29/491606429.db2.gz GSMTVQGVPXWHRG-FCGDIQPGSA-N 1 3 370.497 0.882 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000577574817 491633242 /nfs/dbraw/zinc/63/32/42/491633242.db2.gz BUTPQWYMHHKJOW-MRXNPFEDSA-N 1 3 356.511 0.849 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000569104396 491634062 /nfs/dbraw/zinc/63/40/62/491634062.db2.gz FNBYWLYHMDIMQT-UHFFFAOYSA-N 1 3 354.476 0.649 20 0 FCADHO C[C@H](Cc1ccccc1F)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569146534 491638179 /nfs/dbraw/zinc/63/81/79/491638179.db2.gz ROLHKITZJHIRSP-OAHLLOKOSA-N 1 3 366.481 0.825 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000578156899 491670963 /nfs/dbraw/zinc/67/09/63/491670963.db2.gz GKWYQRRLEPBHKG-OAGGEKHMSA-N 1 3 368.522 0.258 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000578209048 491672175 /nfs/dbraw/zinc/67/21/75/491672175.db2.gz JXZZHUJFDRWCMJ-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000578966994 491687918 /nfs/dbraw/zinc/68/79/18/491687918.db2.gz PWJIIQHJHQRQBB-UHFFFAOYSA-N 1 3 361.490 0.883 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000578996739 491688632 /nfs/dbraw/zinc/68/86/32/491688632.db2.gz RWRNLBJAJUMISS-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000578996739 491688633 /nfs/dbraw/zinc/68/86/33/491688633.db2.gz RWRNLBJAJUMISS-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO CN(C)[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000579210960 491693158 /nfs/dbraw/zinc/69/31/58/491693158.db2.gz ALFJKYFWFKXLOO-RTBURBONSA-N 1 3 359.518 0.848 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(=O)NC)CC3)CC2)CC1 ZINC000579851232 491706946 /nfs/dbraw/zinc/70/69/46/491706946.db2.gz LLLLDGQWUWQSDF-UHFFFAOYSA-N 1 3 365.522 0.666 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000589220990 491757674 /nfs/dbraw/zinc/75/76/74/491757674.db2.gz WSCWMSWTLKJVMP-HOTGVXAUSA-N 1 3 355.527 0.959 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000589220990 491757675 /nfs/dbraw/zinc/75/76/75/491757675.db2.gz WSCWMSWTLKJVMP-HOTGVXAUSA-N 1 3 355.527 0.959 20 0 FCADHO CCO[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000581448336 491773325 /nfs/dbraw/zinc/77/33/25/491773325.db2.gz OGFQACCSCFDZKR-CVEARBPZSA-N 1 3 368.522 0.402 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000581459491 491773929 /nfs/dbraw/zinc/77/39/29/491773929.db2.gz UVNPPYJRUHQPSV-UHFFFAOYSA-N 1 3 372.473 1.392 20 0 FCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581895890 491789342 /nfs/dbraw/zinc/78/93/42/491789342.db2.gz RXFGDHHDPZPJNZ-JYJNAYRXSA-N 1 3 351.495 0.450 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028224 491795067 /nfs/dbraw/zinc/79/50/67/491795067.db2.gz GINCNLQPHIQTJN-FMKPAKJESA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028224 491795068 /nfs/dbraw/zinc/79/50/68/491795068.db2.gz GINCNLQPHIQTJN-FMKPAKJESA-N 1 3 350.507 0.964 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000582110675 491798265 /nfs/dbraw/zinc/79/82/65/491798265.db2.gz HOSAQCTXLNNPGZ-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO CN1CCN(CCCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000582141618 491800143 /nfs/dbraw/zinc/80/01/43/491800143.db2.gz ZQZJQPIRPNFBDU-INIZCTEOSA-N 1 3 374.485 0.261 20 0 FCADHO COCCN(CCN(C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591627885 491813292 /nfs/dbraw/zinc/81/32/92/491813292.db2.gz MFJJOZLCFNEIAP-UHFFFAOYSA-N 1 3 356.511 0.851 20 0 FCADHO CN1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](CN)C1 ZINC000582655790 491821282 /nfs/dbraw/zinc/82/12/82/491821282.db2.gz HNJSNNJQBJZNDX-CGTJXYLNSA-N 1 3 363.481 0.803 20 0 FCADHO [NH3+]CCCn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000583435527 491844769 /nfs/dbraw/zinc/84/47/69/491844769.db2.gz KHMSWGNWRGOWCQ-QGZVFWFLSA-N 1 3 372.473 0.648 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000583578110 491847889 /nfs/dbraw/zinc/84/78/89/491847889.db2.gz BXLGHCFELICFHM-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583921934 491854773 /nfs/dbraw/zinc/85/47/73/491854773.db2.gz WGOHGZCVRIMPMT-CALCHBBNSA-N 1 3 362.518 0.827 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1N ZINC000583982496 491855951 /nfs/dbraw/zinc/85/59/51/491855951.db2.gz ZLPWOWIUNQDRMW-UHFFFAOYSA-N 1 3 351.451 0.168 20 0 FCADHO CN1CCN(CCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000584002930 491856389 /nfs/dbraw/zinc/85/63/89/491856389.db2.gz PRXMIZQKMDPLBF-QGZVFWFLSA-N 1 3 354.564 0.958 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079036 491858079 /nfs/dbraw/zinc/85/80/79/491858079.db2.gz KYEPDXOWUHIFCU-JYYAWHABSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079036 491858080 /nfs/dbraw/zinc/85/80/80/491858080.db2.gz KYEPDXOWUHIFCU-JYYAWHABSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccco1 ZINC000595263270 491908590 /nfs/dbraw/zinc/90/85/90/491908590.db2.gz RMAGFJDYDWHJJV-BYNSBNAKSA-N 1 3 363.462 0.662 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595266487 491909255 /nfs/dbraw/zinc/90/92/55/491909255.db2.gz WYSUCGSMPHZBKX-FZKCQIBNSA-N 1 3 351.495 0.308 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595266487 491909258 /nfs/dbraw/zinc/90/92/58/491909258.db2.gz WYSUCGSMPHZBKX-FZKCQIBNSA-N 1 3 351.495 0.308 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599630 491937780 /nfs/dbraw/zinc/93/77/80/491937780.db2.gz ZQSMTANEXCCTSS-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599630 491937781 /nfs/dbraw/zinc/93/77/81/491937781.db2.gz ZQSMTANEXCCTSS-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO COC(=O)c1cn(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000601962765 491955680 /nfs/dbraw/zinc/95/56/80/491955680.db2.gz APFKEBXLXNQKNR-SFHVURJKSA-N 1 3 359.430 0.291 20 0 FCADHO COC(=O)c1cn(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000601962765 491955682 /nfs/dbraw/zinc/95/56/82/491955682.db2.gz APFKEBXLXNQKNR-SFHVURJKSA-N 1 3 359.430 0.291 20 0 FCADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612930411 491958829 /nfs/dbraw/zinc/95/88/29/491958829.db2.gz NNQIZDHIBDLDCD-HVEKOLDVSA-N 1 3 373.505 0.460 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000612972306 491960349 /nfs/dbraw/zinc/96/03/49/491960349.db2.gz WWZXIYXBZVQQGE-KRWDZBQOSA-N 1 3 373.501 0.919 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)[C@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506297 491990363 /nfs/dbraw/zinc/99/03/63/491990363.db2.gz NDSSUZXSMODVMA-VQTJNVASSA-N 1 3 373.545 0.684 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)[C@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506297 491990365 /nfs/dbraw/zinc/99/03/65/491990365.db2.gz NDSSUZXSMODVMA-VQTJNVASSA-N 1 3 373.545 0.684 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000607689504 492149031 /nfs/dbraw/zinc/14/90/31/492149031.db2.gz ATTGOOUIYYTXON-QBPKDAKJSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000607689504 492149033 /nfs/dbraw/zinc/14/90/33/492149033.db2.gz ATTGOOUIYYTXON-QBPKDAKJSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCn1cncn1 ZINC000608631000 492182647 /nfs/dbraw/zinc/18/26/47/492182647.db2.gz MTACZRHHXDRGHL-MRXNPFEDSA-N 1 3 351.499 0.726 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCn1cncn1 ZINC000608631000 492182649 /nfs/dbraw/zinc/18/26/49/492182649.db2.gz MTACZRHHXDRGHL-MRXNPFEDSA-N 1 3 351.499 0.726 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659867 492233853 /nfs/dbraw/zinc/23/38/53/492233853.db2.gz GKOJIZLMEJYRQF-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659867 492233855 /nfs/dbraw/zinc/23/38/55/492233855.db2.gz GKOJIZLMEJYRQF-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1nnc2n1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000610146429 492235938 /nfs/dbraw/zinc/23/59/38/492235938.db2.gz XINRDHMCURHNTI-HNNXBMFYSA-N 1 3 351.499 0.284 20 0 FCADHO Cc1nnc2n1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000610146430 492236057 /nfs/dbraw/zinc/23/60/57/492236057.db2.gz XINRDHMCURHNTI-OAHLLOKOSA-N 1 3 351.499 0.284 20 0 FCADHO O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485724 492313880 /nfs/dbraw/zinc/31/38/80/492313880.db2.gz WSKHXFMSLKWQME-TZIWHRDSSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485724 492313886 /nfs/dbraw/zinc/31/38/86/492313886.db2.gz WSKHXFMSLKWQME-TZIWHRDSSA-N 1 3 373.497 0.681 20 0 FCADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000641997260 492326831 /nfs/dbraw/zinc/32/68/31/492326831.db2.gz BBYOACVVGIMATM-UHFFFAOYSA-N 1 3 370.586 0.537 20 0 FCADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000641997260 492326834 /nfs/dbraw/zinc/32/68/34/492326834.db2.gz BBYOACVVGIMATM-UHFFFAOYSA-N 1 3 370.586 0.537 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000642102258 492334943 /nfs/dbraw/zinc/33/49/43/492334943.db2.gz XPQLMPGITKJSAP-DOTOQJQBSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N(C)Cc1ccccc1 ZINC000642262598 492346543 /nfs/dbraw/zinc/34/65/43/492346543.db2.gz KABAKNQXPFIGGC-HLLBOEOZSA-N 1 3 362.474 0.198 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382774 492356034 /nfs/dbraw/zinc/35/60/34/492356034.db2.gz RJXBFLRYUNJJAZ-BBRMVZONSA-N 1 3 350.463 0.658 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000642439516 492358111 /nfs/dbraw/zinc/35/81/11/492358111.db2.gz KHYJSYKKVCRUTD-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642538010 492362490 /nfs/dbraw/zinc/36/24/90/492362490.db2.gz YOTMYZHEBAXKJD-WBVHZDCISA-N 1 3 374.485 0.454 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)NC[C@H](C)[NH3+])CC2)cc1 ZINC000642540610 492362583 /nfs/dbraw/zinc/36/25/83/492362583.db2.gz KGLQXQKCYBMMEV-AWEZNQCLSA-N 1 3 362.474 0.487 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642538007 492362771 /nfs/dbraw/zinc/36/27/71/492362771.db2.gz YOTMYZHEBAXKJD-DOTOQJQBSA-N 1 3 374.485 0.454 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000642686257 492373169 /nfs/dbraw/zinc/37/31/69/492373169.db2.gz RRCSNLGYLPZSCO-UHFFFAOYSA-N 1 3 362.474 0.583 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642725986 492380435 /nfs/dbraw/zinc/38/04/35/492380435.db2.gz WDFRWBDAWPOGKA-CRAIPNDOSA-N 1 3 372.513 0.788 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642732946 492382510 /nfs/dbraw/zinc/38/25/10/492382510.db2.gz IZXGKDAQACFQNP-GOSISDBHSA-N 1 3 358.486 0.809 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000654947966 492384021 /nfs/dbraw/zinc/38/40/21/492384021.db2.gz XDHIXLRJUIBUCS-LSDHHAIUSA-N 1 3 362.478 0.516 20 0 FCADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978727 492390239 /nfs/dbraw/zinc/39/02/39/492390239.db2.gz XIFNJKOSJCWTFE-QZTJIDSGSA-N 1 3 372.517 0.837 20 0 FCADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977114 492390580 /nfs/dbraw/zinc/39/05/80/492390580.db2.gz XYRXXKQNNADJPD-DLBZAZTESA-N 1 3 350.507 0.827 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000642785808 492391569 /nfs/dbraw/zinc/39/15/69/492391569.db2.gz LZLCTXSKOAVNPG-RCCFBDPRSA-N 1 3 362.518 0.968 20 0 FCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785831 492391790 /nfs/dbraw/zinc/39/17/90/492391790.db2.gz MMFGTEQXAUUNSX-GOSISDBHSA-N 1 3 358.486 0.965 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000642789437 492392702 /nfs/dbraw/zinc/39/27/02/492392702.db2.gz GTFKXQORNHMPFD-HOTGVXAUSA-N 1 3 350.507 0.955 20 0 FCADHO CCN1CC[C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1=O ZINC000655064293 492398239 /nfs/dbraw/zinc/39/82/39/492398239.db2.gz UQYKDFKZTSQHAY-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905472 492400547 /nfs/dbraw/zinc/40/05/47/492400547.db2.gz NIRHPNIPGGJLCX-CQSZACIVSA-N 1 3 352.504 0.897 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)cn1 ZINC000621650771 492401181 /nfs/dbraw/zinc/40/11/81/492401181.db2.gz CGYNYFIEPLFNPP-CQSZACIVSA-N 1 3 350.467 0.279 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643012290 492413719 /nfs/dbraw/zinc/41/37/19/492413719.db2.gz WXQDPNGHCXAVLM-KRWDZBQOSA-N 1 3 366.506 0.206 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621840367 492423151 /nfs/dbraw/zinc/42/31/51/492423151.db2.gz HSGXAZJLCSWICN-UZLBHIALSA-N 1 3 374.485 0.583 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000635526210 492464247 /nfs/dbraw/zinc/46/42/47/492464247.db2.gz IAHHZVLYPJPTPN-IAGOWNOFSA-N 1 3 357.462 0.996 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643490260 492479664 /nfs/dbraw/zinc/47/96/64/492479664.db2.gz IYZQEXLHRCDJDN-HOTGVXAUSA-N 1 3 356.511 0.387 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498780 492482964 /nfs/dbraw/zinc/48/29/64/492482964.db2.gz VKCCUYJCUNIZIG-KZNAEPCWSA-N 1 3 362.518 0.921 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643531933 492492290 /nfs/dbraw/zinc/49/22/90/492492290.db2.gz ZYBAUCINYZKGAU-FGTMMUONSA-N 1 3 356.470 0.397 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CCO1 ZINC000643560503 492498801 /nfs/dbraw/zinc/49/88/01/492498801.db2.gz SQMMDZDCWXHNIM-DZGCQCFKSA-N 1 3 368.503 0.213 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643560034 492498916 /nfs/dbraw/zinc/49/89/16/492498916.db2.gz FRVOTMHCEBGYOB-HZPDHXFCSA-N 1 3 364.515 0.849 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643567603 492499477 /nfs/dbraw/zinc/49/94/77/492499477.db2.gz XOJUIBXNLIDIDM-MSOLQXFVSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643586154 492500558 /nfs/dbraw/zinc/50/05/58/492500558.db2.gz YASHMLAAGAFITC-KBAYOESNSA-N 1 3 358.486 0.915 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000643593365 492502927 /nfs/dbraw/zinc/50/29/27/492502927.db2.gz QYEBMIRXCDDVJN-LJQANCHMSA-N 1 3 350.507 0.779 20 0 FCADHO [NH3+]CCCn1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)nn1 ZINC000649296042 492525506 /nfs/dbraw/zinc/52/55/06/492525506.db2.gz UTUGWEOVDNYXLP-UHFFFAOYSA-N 1 3 358.446 0.836 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2CCCC[C@@H](N)C2=O)C1 ZINC000649344185 492539574 /nfs/dbraw/zinc/53/95/74/492539574.db2.gz CCPZNVDUPZHKHX-HZPDHXFCSA-N 1 3 354.495 0.286 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000649365659 492548414 /nfs/dbraw/zinc/54/84/14/492548414.db2.gz IIZWZKYILXKMLE-YLFCFFPRSA-N 1 3 350.507 0.953 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656295173 492574085 /nfs/dbraw/zinc/57/40/85/492574085.db2.gz GBERCXWQDGYKKM-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656295173 492574091 /nfs/dbraw/zinc/57/40/91/492574091.db2.gz GBERCXWQDGYKKM-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000656300257 492577089 /nfs/dbraw/zinc/57/70/89/492577089.db2.gz MZYRDHDUGZXHCX-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355406 492610659 /nfs/dbraw/zinc/61/06/59/492610659.db2.gz KSSCCSLICIZEHL-LTIDMASMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355406 492610661 /nfs/dbraw/zinc/61/06/61/492610661.db2.gz KSSCCSLICIZEHL-LTIDMASMSA-N 1 3 350.507 0.918 20 0 FCADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)N1CCN(c2ccccn2)CC1 ZINC000629558687 492644240 /nfs/dbraw/zinc/64/42/40/492644240.db2.gz LVGLJRZRPCVITA-KRWDZBQOSA-N 1 3 361.490 0.167 20 0 FCADHO CN(CCOCC[NH3+])CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000629577862 492655005 /nfs/dbraw/zinc/65/50/05/492655005.db2.gz KEGNSHQWRGHLCC-UHFFFAOYSA-N 1 3 352.454 0.772 20 0 FCADHO CN1CCN(c2ncc(CN3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707090 492663807 /nfs/dbraw/zinc/66/38/07/492663807.db2.gz YICJULYDGDLHNG-FHWLQOOXSA-N 1 3 374.533 0.947 20 0 FCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225748 492673033 /nfs/dbraw/zinc/67/30/33/492673033.db2.gz YESQXDRLJVBIRP-RBUKOAKNSA-N 1 3 370.497 0.835 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000629800876 492678955 /nfs/dbraw/zinc/67/89/55/492678955.db2.gz CVNDGMXSCHPMRZ-UHFFFAOYSA-N 1 3 361.490 0.954 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629802770 492679843 /nfs/dbraw/zinc/67/98/43/492679843.db2.gz PTGXWFZTNUQZAW-AAEUAGOBSA-N 1 3 364.412 0.525 20 0 FCADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636960851 492738617 /nfs/dbraw/zinc/73/86/17/492738617.db2.gz NLSBLPDEHPVIKE-CRAIPNDOSA-N 1 3 361.490 0.973 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)CC1 ZINC000644446523 492756609 /nfs/dbraw/zinc/75/66/09/492756609.db2.gz COUZMJAZEIGEAT-KSZLIROESA-N 1 3 367.538 0.299 20 0 FCADHO Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(=O)n(C)c1=O ZINC000657613008 492765355 /nfs/dbraw/zinc/76/53/55/492765355.db2.gz UFKIXMFBYOYTSL-UHFFFAOYSA-N 1 3 357.458 0.481 20 0 FCADHO Cc1cc(NC(=O)CCNC2CC[NH+](CCC(=O)N(C)C)CC2)no1 ZINC000644557009 492784975 /nfs/dbraw/zinc/78/49/75/492784975.db2.gz UGXGPZWMAJYUJH-UHFFFAOYSA-N 1 3 351.451 0.844 20 0 FCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185031 492787200 /nfs/dbraw/zinc/78/72/00/492787200.db2.gz DWQSTOFUBYNZFZ-FUHWJXTLSA-N 1 3 360.502 0.891 20 0 FCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185031 492787201 /nfs/dbraw/zinc/78/72/01/492787201.db2.gz DWQSTOFUBYNZFZ-FUHWJXTLSA-N 1 3 360.502 0.891 20 0 FCADHO CN(C)CCn1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000631911139 492876880 /nfs/dbraw/zinc/87/68/80/492876880.db2.gz WSIRPGSPPPVJKY-QZTJIDSGSA-N 1 3 363.506 0.942 20 0 FCADHO COCCN1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645213312 492878819 /nfs/dbraw/zinc/87/88/19/492878819.db2.gz NMCCNRLIUGDURO-UHFFFAOYSA-N 1 3 354.495 0.603 20 0 FCADHO CCO[C@@H]1CN(C(=O)NCCCCN2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652128648 492884172 /nfs/dbraw/zinc/88/41/72/492884172.db2.gz FZNHAVRGJAUCSK-IAGOWNOFSA-N 1 3 355.527 0.409 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652144801 492886274 /nfs/dbraw/zinc/88/62/74/492886274.db2.gz UBSJXBDYSXOFSV-BXWFABGCSA-N 1 3 365.522 0.700 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC000638068809 492899492 /nfs/dbraw/zinc/89/94/92/492899492.db2.gz ZXZIBZVSOFPTOP-UHFFFAOYSA-N 1 3 359.474 0.228 20 0 FCADHO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCCN3CCCC3)CC2)C1 ZINC000631975482 492902066 /nfs/dbraw/zinc/90/20/66/492902066.db2.gz GJIDZUGOJVMKRB-QGZVFWFLSA-N 1 3 358.552 0.514 20 0 FCADHO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)CCCN3CCCC3)CC2)C1 ZINC000631975482 492902070 /nfs/dbraw/zinc/90/20/70/492902070.db2.gz GJIDZUGOJVMKRB-QGZVFWFLSA-N 1 3 358.552 0.514 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000638097168 492904846 /nfs/dbraw/zinc/90/48/46/492904846.db2.gz BLMKEVXTKOXHTK-SFHVURJKSA-N 1 3 374.485 0.332 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3CCCO[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638342990 492937942 /nfs/dbraw/zinc/93/79/42/492937942.db2.gz JSKJAHQWONIFPX-AWEZNQCLSA-N 1 3 361.446 0.493 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000652622907 492971901 /nfs/dbraw/zinc/97/19/01/492971901.db2.gz WKJSEPUWWCOYET-INIZCTEOSA-N 1 3 362.478 0.374 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000652622288 492972036 /nfs/dbraw/zinc/97/20/36/492972036.db2.gz FQDWOIDDOSYNCM-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000652624242 492972828 /nfs/dbraw/zinc/97/28/28/492972828.db2.gz DQQITZHEWOPKGU-GJZGRUSLSA-N 1 3 362.478 0.231 20 0 FCADHO CCCN(CC[NH+]1CCCC1)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000632331595 492975098 /nfs/dbraw/zinc/97/50/98/492975098.db2.gz PKVIMCFIGYHYFG-UHFFFAOYSA-N 1 3 360.568 0.762 20 0 FCADHO [NH3+]CCOCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000645817329 492977579 /nfs/dbraw/zinc/97/75/79/492977579.db2.gz HKPINEVIHJFUHX-QGZVFWFLSA-N 1 3 361.490 0.418 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638836001 492981138 /nfs/dbraw/zinc/98/11/38/492981138.db2.gz PPMHQOKZLIDERA-SUMDDJOVSA-N 1 3 360.502 0.970 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836001 492981143 /nfs/dbraw/zinc/98/11/43/492981143.db2.gz PPMHQOKZLIDERA-SUMDDJOVSA-N 1 3 360.502 0.970 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCCO1 ZINC000652669159 492983349 /nfs/dbraw/zinc/98/33/49/492983349.db2.gz XORIZTYUKZUHMQ-HNNXBMFYSA-N 1 3 354.495 0.191 20 0 FCADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673710 492984812 /nfs/dbraw/zinc/98/48/12/492984812.db2.gz YSQOENVWSLGNBR-FIDHJVLJSA-N 1 3 368.522 0.291 20 0 FCADHO CN1CCC(n2cc(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)cn2)CC1 ZINC000638978042 492989636 /nfs/dbraw/zinc/98/96/36/492989636.db2.gz SARKSGVZQNVUOT-HNNXBMFYSA-N 1 3 358.450 0.918 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652733947 493011456 /nfs/dbraw/zinc/01/14/56/493011456.db2.gz VDPAMBOAJIFWIF-LUKYLMHMSA-N 1 3 366.506 0.284 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000626855768 493038172 /nfs/dbraw/zinc/03/81/72/493038172.db2.gz CPJZESPHRODPDP-UHFFFAOYSA-N 1 3 361.490 0.883 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000626958060 493070272 /nfs/dbraw/zinc/07/02/72/493070272.db2.gz BXBXDQSOWRKSOX-UHFFFAOYSA-N 1 3 364.494 0.210 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124586 493074822 /nfs/dbraw/zinc/07/48/22/493074822.db2.gz AXPHBGPZOLLMDQ-FPOVZHCZSA-N 1 3 372.513 0.676 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC000633027982 493105422 /nfs/dbraw/zinc/10/54/22/493105422.db2.gz YSIWKEMEWYBYBH-STQMWFEESA-N 1 3 350.394 0.277 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083401 493117347 /nfs/dbraw/zinc/11/73/47/493117347.db2.gz BXBIMBCRAFAZQV-CALCHBBNSA-N 1 3 362.449 0.679 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259098 493120796 /nfs/dbraw/zinc/12/07/96/493120796.db2.gz MZCGTTNWSHNCGR-IRXDYDNUSA-N 1 3 351.491 0.689 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259098 493120799 /nfs/dbraw/zinc/12/07/99/493120799.db2.gz MZCGTTNWSHNCGR-IRXDYDNUSA-N 1 3 351.491 0.689 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259660 493122078 /nfs/dbraw/zinc/12/20/78/493122078.db2.gz XHBHHQHJWCPJRE-PMACEKPBSA-N 1 3 372.513 0.715 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259660 493122083 /nfs/dbraw/zinc/12/20/83/493122083.db2.gz XHBHHQHJWCPJRE-PMACEKPBSA-N 1 3 372.513 0.715 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633102853 493125929 /nfs/dbraw/zinc/12/59/29/493125929.db2.gz YHPHUFHBYCTSJG-STQMWFEESA-N 1 3 364.412 0.682 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000659027263 493127164 /nfs/dbraw/zinc/12/71/64/493127164.db2.gz CWXDKJZLBOCBCT-UHFFFAOYSA-N 1 3 359.474 0.673 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633110688 493130756 /nfs/dbraw/zinc/13/07/56/493130756.db2.gz JYBUIPPUBSTQKT-KSZLIROESA-N 1 3 356.470 0.335 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627365079 493180537 /nfs/dbraw/zinc/18/05/37/493180537.db2.gz FFQWCWVMALPWID-AAEUAGOBSA-N 1 3 364.412 0.573 20 0 FCADHO C[C@@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)N(C)C)N(C)C ZINC000672467530 493182977 /nfs/dbraw/zinc/18/29/77/493182977.db2.gz YUKUZDJXNGAXMG-IRXDYDNUSA-N 1 3 369.554 0.269 20 0 FCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659497426 493197290 /nfs/dbraw/zinc/19/72/90/493197290.db2.gz AKJNMGBIJDYJFY-AWEZNQCLSA-N 1 3 350.467 0.951 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000627392970 493200645 /nfs/dbraw/zinc/20/06/45/493200645.db2.gz KVSOBFBISVHLGJ-UHFFFAOYSA-N 1 3 354.495 0.333 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC000659574520 493215707 /nfs/dbraw/zinc/21/57/07/493215707.db2.gz CXANXFFFWQIQHD-HUUCEWRRSA-N 1 3 356.430 0.586 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000672695132 493234293 /nfs/dbraw/zinc/23/42/93/493234293.db2.gz JKYVLQUKEFIAOL-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000672695132 493234295 /nfs/dbraw/zinc/23/42/95/493234295.db2.gz JKYVLQUKEFIAOL-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000672700074 493236705 /nfs/dbraw/zinc/23/67/05/493236705.db2.gz YMYHOKLWABXOTK-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000672700074 493236708 /nfs/dbraw/zinc/23/67/08/493236708.db2.gz YMYHOKLWABXOTK-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666978218 493245584 /nfs/dbraw/zinc/24/55/84/493245584.db2.gz UQQLUOHMTDNCPL-IAGOWNOFSA-N 1 3 354.495 0.386 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666978218 493245586 /nfs/dbraw/zinc/24/55/86/493245586.db2.gz UQQLUOHMTDNCPL-IAGOWNOFSA-N 1 3 354.495 0.386 20 0 FCADHO O=C(NC1CCN(C2CC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659686504 493252679 /nfs/dbraw/zinc/25/26/79/493252679.db2.gz ZTNPUAOGSZTWKZ-INIZCTEOSA-N 1 3 362.518 0.968 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000659687766 493253648 /nfs/dbraw/zinc/25/36/48/493253648.db2.gz MLGPEKRDCDNNQL-DOTOQJQBSA-N 1 3 362.474 0.118 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)Cc2ccccc2C1 ZINC000659695935 493258582 /nfs/dbraw/zinc/25/85/82/493258582.db2.gz HSRGBOQTIXCEMI-UHFFFAOYSA-N 1 3 358.486 0.590 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CCCC1 ZINC000659705303 493264540 /nfs/dbraw/zinc/26/45/40/493264540.db2.gz XPEWEWDQFHBSSC-UHFFFAOYSA-N 1 3 352.479 0.135 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659721937 493272207 /nfs/dbraw/zinc/27/22/07/493272207.db2.gz LRPLBTLMCOUXDV-SFHVURJKSA-N 1 3 373.501 0.668 20 0 FCADHO CC1([NH3+])CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659729022 493276177 /nfs/dbraw/zinc/27/61/77/493276177.db2.gz LGQPTPWMRDSYJC-UHFFFAOYSA-N 1 3 373.501 0.750 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659729354 493276353 /nfs/dbraw/zinc/27/63/53/493276353.db2.gz QZLQMFDPYXOBTA-GJZGRUSLSA-N 1 3 361.490 0.652 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000659738843 493279888 /nfs/dbraw/zinc/27/98/88/493279888.db2.gz IYHGEMYFOPXJLM-IXDOHACOSA-N 1 3 366.506 0.332 20 0 FCADHO CC(C)Oc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000682222430 493280221 /nfs/dbraw/zinc/28/02/21/493280221.db2.gz VRGOEPPTIVEYMR-UHFFFAOYSA-N 1 3 365.478 0.759 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000667558014 493289648 /nfs/dbraw/zinc/28/96/48/493289648.db2.gz RFQGGSPCPQSZRE-OAHLLOKOSA-N 1 3 361.490 0.927 20 0 FCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000667584498 493291471 /nfs/dbraw/zinc/29/14/71/493291471.db2.gz NTCYNFJKWFTVCQ-ZFWWWQNUSA-N 1 3 366.437 0.724 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660655259 493370406 /nfs/dbraw/zinc/37/04/06/493370406.db2.gz WDOFGLFNKWPBGZ-KRWDZBQOSA-N 1 3 367.538 0.025 20 0 FCADHO C[NH+](C)C1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCOCC1 ZINC000660710289 493374774 /nfs/dbraw/zinc/37/47/74/493374774.db2.gz MCMNNMBBAIUPRB-INIZCTEOSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000668893140 493430432 /nfs/dbraw/zinc/43/04/32/493430432.db2.gz MXUWFYXJAVRRCG-PBHICJAKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596720 493449642 /nfs/dbraw/zinc/44/96/42/493449642.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H](CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596720 493449645 /nfs/dbraw/zinc/44/96/45/493449645.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H](CN1CC[C@@H]2NC(=O)CC[C@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596720 493449648 /nfs/dbraw/zinc/44/96/48/493449648.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H](CN1CC[C@@H]2NC(=O)CC[C@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596720 493449649 /nfs/dbraw/zinc/44/96/49/493449649.db2.gz FELFEOUZDADFAT-ADHGMGHFSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H]1CCCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCC[NH3+] ZINC000662313835 493505825 /nfs/dbraw/zinc/50/58/25/493505825.db2.gz NVJUJZDEOQUIAS-HUUCEWRRSA-N 1 3 362.540 0.224 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000669529895 493509000 /nfs/dbraw/zinc/50/90/00/493509000.db2.gz ICEVRWZIUILBCE-CVEARBPZSA-N 1 3 353.511 0.890 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662407865 493513545 /nfs/dbraw/zinc/51/35/45/493513545.db2.gz KHSYILQPBYOBOY-CQSZACIVSA-N 1 3 370.461 0.650 20 0 FCADHO N[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1c1ccccc1F ZINC000662577278 493526707 /nfs/dbraw/zinc/52/67/07/493526707.db2.gz UBIXXVHPTZSSAD-GOEBONIOSA-N 1 3 358.421 0.909 20 0 FCADHO COc1cc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])ccc1OCCN(C)C ZINC000662691696 493531891 /nfs/dbraw/zinc/53/18/91/493531891.db2.gz LMHBDIJBGGBJAI-YOEHRIQHSA-N 1 3 351.447 0.616 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758772 493540235 /nfs/dbraw/zinc/54/02/35/493540235.db2.gz STNOOUOERUUURG-UKRRQHHQSA-N 1 3 350.429 0.918 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1CCNC2 ZINC000662772926 493540541 /nfs/dbraw/zinc/54/05/41/493540541.db2.gz JFURPYUBZQCNJE-HNNXBMFYSA-N 1 3 356.392 0.898 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842579 493546087 /nfs/dbraw/zinc/54/60/87/493546087.db2.gz PXKJTLNPXMHKNQ-DLBZAZTESA-N 1 3 350.507 0.635 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662857369 493547620 /nfs/dbraw/zinc/54/76/20/493547620.db2.gz AMNHZTOBGLQKMG-IRXDYDNUSA-N 1 3 369.469 0.983 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662926740 493554379 /nfs/dbraw/zinc/55/43/79/493554379.db2.gz WBGCBGUBGZCHEC-UHFFFAOYSA-N 1 3 352.454 0.912 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662941720 493557868 /nfs/dbraw/zinc/55/78/68/493557868.db2.gz AXZKUSBSFPFBPP-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662950531 493560027 /nfs/dbraw/zinc/56/00/27/493560027.db2.gz MRBNFLBHGRIRFM-NZSAHSFTSA-N 1 3 372.513 0.958 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662984131 493564048 /nfs/dbraw/zinc/56/40/48/493564048.db2.gz OBMVGHLXAIRTKF-IXDOHACOSA-N 1 3 368.522 0.532 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000670545909 493579385 /nfs/dbraw/zinc/57/93/85/493579385.db2.gz SJAXEHNQBSGLSD-GOSISDBHSA-N 1 3 358.486 0.930 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000677579667 493609466 /nfs/dbraw/zinc/60/94/66/493609466.db2.gz XRAWNHZGUDXMAK-UHFFFAOYSA-N 1 3 360.506 0.939 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790388 493618196 /nfs/dbraw/zinc/61/81/96/493618196.db2.gz ALORDRQCKKPINV-HOTGVXAUSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790388 493618192 /nfs/dbraw/zinc/61/81/92/493618192.db2.gz ALORDRQCKKPINV-HOTGVXAUSA-N 1 3 355.527 0.768 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000671071961 493630145 /nfs/dbraw/zinc/63/01/45/493630145.db2.gz VTOHBPBNLSRGQT-SFHVURJKSA-N 1 3 368.547 0.627 20 0 FCADHO CN1CCC2(CCCN2C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000678199396 493637705 /nfs/dbraw/zinc/63/77/05/493637705.db2.gz OKQAIGXEKPMQPC-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO CN1CCC2(CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000678199396 493637706 /nfs/dbraw/zinc/63/77/06/493637706.db2.gz OKQAIGXEKPMQPC-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664177286 493641607 /nfs/dbraw/zinc/64/16/07/493641607.db2.gz CJAQACHLQYISPZ-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664177286 493641609 /nfs/dbraw/zinc/64/16/09/493641609.db2.gz CJAQACHLQYISPZ-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181865 493647650 /nfs/dbraw/zinc/64/76/50/493647650.db2.gz SZWDSPWNPAWVEP-SJORKVTESA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181865 493647651 /nfs/dbraw/zinc/64/76/51/493647651.db2.gz SZWDSPWNPAWVEP-SJORKVTESA-N 1 3 357.458 0.473 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000665460679 493715953 /nfs/dbraw/zinc/71/59/53/493715953.db2.gz RSOUEHQPLPSDLR-GOSISDBHSA-N 1 3 354.495 0.243 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000671941238 493716146 /nfs/dbraw/zinc/71/61/46/493716146.db2.gz WFMUDSSFSAYKBK-QGZVFWFLSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672014052 493724764 /nfs/dbraw/zinc/72/47/64/493724764.db2.gz POQDHXKLAABIQG-USXIJHARSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681164134 493748014 /nfs/dbraw/zinc/74/80/14/493748014.db2.gz NTGIUIWWCUSJMX-QGZVFWFLSA-N 1 3 360.506 0.939 20 0 FCADHO CN(C(=O)NC[C@H]1CN(C)CCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681215615 493751000 /nfs/dbraw/zinc/75/10/00/493751000.db2.gz KAAGXVFPARMJFY-MSOLQXFVSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@H]1CN(C)CCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681215615 493751001 /nfs/dbraw/zinc/75/10/01/493751001.db2.gz KAAGXVFPARMJFY-MSOLQXFVSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@H]1CN(C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681215615 493751004 /nfs/dbraw/zinc/75/10/04/493751004.db2.gz KAAGXVFPARMJFY-MSOLQXFVSA-N 1 3 366.554 0.042 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305728 493751901 /nfs/dbraw/zinc/75/19/01/493751901.db2.gz BEIPGDAEGIJPEU-WBVHZDCISA-N 1 3 350.507 0.825 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000672330220 493757602 /nfs/dbraw/zinc/75/76/02/493757602.db2.gz VFGYZGZNFYEZMF-UHFFFAOYSA-N 1 3 359.474 0.721 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000672330220 493757603 /nfs/dbraw/zinc/75/76/03/493757603.db2.gz VFGYZGZNFYEZMF-UHFFFAOYSA-N 1 3 359.474 0.721 20 0 FCADHO CCn1cc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)nn1 ZINC000666269909 493765926 /nfs/dbraw/zinc/76/59/26/493765926.db2.gz AYRKYQOCZHKORV-MRXNPFEDSA-N 1 3 351.499 0.856 20 0 FCADHO CCn1cc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)nn1 ZINC000666269909 493765928 /nfs/dbraw/zinc/76/59/28/493765928.db2.gz AYRKYQOCZHKORV-MRXNPFEDSA-N 1 3 351.499 0.856 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423206291 536460205 /nfs/dbraw/zinc/46/02/05/536460205.db2.gz QHWCPVWQZWPFAI-INIZCTEOSA-N 1 3 364.465 0.784 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700409 527961002 /nfs/dbraw/zinc/96/10/02/527961002.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700409 527961003 /nfs/dbraw/zinc/96/10/03/527961003.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C ZINC000410700409 527961004 /nfs/dbraw/zinc/96/10/04/527961004.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 1 3 369.554 0.269 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000410886735 528890821 /nfs/dbraw/zinc/89/08/21/528890821.db2.gz OLSLJRVEPUZDKS-UHFFFAOYSA-N 1 3 370.538 0.744 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419688441 535070921 /nfs/dbraw/zinc/07/09/21/535070921.db2.gz AQAJMHNFOVLMLV-GVDBMIGSSA-N 1 3 350.507 0.681 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419284163 535218966 /nfs/dbraw/zinc/21/89/66/535218966.db2.gz KJVIMXBMVILQNO-IRXDYDNUSA-N 1 3 368.522 0.579 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419761125 535297752 /nfs/dbraw/zinc/29/77/52/535297752.db2.gz JTOBNLWTSNVMMH-IAGOWNOFSA-N 1 3 368.522 0.579 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132429 535462814 /nfs/dbraw/zinc/46/28/14/535462814.db2.gz BKXXZGHYKLSRGO-KRWDZBQOSA-N 1 3 362.474 0.119 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369324 535652673 /nfs/dbraw/zinc/65/26/73/535652673.db2.gz HMHCUPLIYASZTF-QZTJIDSGSA-N 1 3 360.502 0.924 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000419382432 535669509 /nfs/dbraw/zinc/66/95/09/535669509.db2.gz YXVNGMOEDOALBJ-QYZOEREBSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419773072 535894626 /nfs/dbraw/zinc/89/46/26/535894626.db2.gz IPLJRQJGWYHMCE-HOTGVXAUSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000419647848 536027948 /nfs/dbraw/zinc/02/79/48/536027948.db2.gz RTLWAZLBBDJNIL-UHFFFAOYSA-N 1 3 358.486 0.967 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424494568 536355591 /nfs/dbraw/zinc/35/55/91/536355591.db2.gz NSLYZNOQRVYWSM-IPMKNSEASA-N 1 3 370.497 0.930 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419152546 536416923 /nfs/dbraw/zinc/41/69/23/536416923.db2.gz ONSOEZFPFCUGDD-CABCVRRESA-N 1 3 364.515 0.897 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419196152 536449931 /nfs/dbraw/zinc/44/99/31/536449931.db2.gz WPNKZCKKMZBZTK-MRXNPFEDSA-N 1 3 360.502 0.781 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419678282 536779719 /nfs/dbraw/zinc/77/97/19/536779719.db2.gz OBIUZTULRSTDBF-UHFFFAOYSA-N 1 3 354.495 0.063 20 0 FCADHO CO[C@@]1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOC1 ZINC000546596620 547042745 /nfs/dbraw/zinc/04/27/45/547042745.db2.gz HHFAZOGZDSLJIE-GOSISDBHSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000550653519 547094872 /nfs/dbraw/zinc/09/48/72/547094872.db2.gz KMSVYXWLYCCVLH-HNNXBMFYSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(F)ccc1F ZINC000550856305 547112124 /nfs/dbraw/zinc/11/21/24/547112124.db2.gz QOOLCMBAWLJNLR-UHFFFAOYSA-N 1 3 356.417 0.533 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000550954080 547117552 /nfs/dbraw/zinc/11/75/52/547117552.db2.gz GLSDYUMKDYVDMU-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@@H+](C)CCOC ZINC000550954080 547117557 /nfs/dbraw/zinc/11/75/57/547117557.db2.gz GLSDYUMKDYVDMU-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CN(C)[C@@]1(CNC(=O)NCCN2CCC([NH+](C)C)CC2)CCSC1 ZINC000551039115 547121187 /nfs/dbraw/zinc/12/11/87/547121187.db2.gz LGFNEVCVPRSGIF-QGZVFWFLSA-N 1 3 357.568 0.749 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000141475496 568295701 /nfs/dbraw/zinc/29/57/01/568295701.db2.gz NNUPQKFPAQIOLV-SJORKVTESA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000141475496 568295702 /nfs/dbraw/zinc/29/57/02/568295702.db2.gz NNUPQKFPAQIOLV-SJORKVTESA-N 1 3 363.506 0.419 20 0 FCADHO C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CC1 ZINC000736858414 598285723 /nfs/dbraw/zinc/28/57/23/598285723.db2.gz ZXOHAMCDSPICBR-UHFFFAOYSA-N 1 3 370.465 0.027 20 0 FCADHO C[N@H+]1CCCN(CCC[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CC1 ZINC000736858414 598285724 /nfs/dbraw/zinc/28/57/24/598285724.db2.gz ZXOHAMCDSPICBR-UHFFFAOYSA-N 1 3 370.465 0.027 20 0 FCADHO CN(C)[C@@H]1CCCN(CCS(=O)(=O)CCN2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000245822496 674491715 /nfs/dbraw/zinc/49/17/15/674491715.db2.gz WMHJFVUCIWPMHB-QZTJIDSGSA-N 1 3 374.595 0.453 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000957099905 674535549 /nfs/dbraw/zinc/53/55/49/674535549.db2.gz GAPZDNNBORMGRX-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897590649 665740688 /nfs/dbraw/zinc/74/06/88/665740688.db2.gz HOJBFCADURUZFY-HNNXBMFYSA-N 1 3 351.491 0.809 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000898471112 665879078 /nfs/dbraw/zinc/87/90/78/665879078.db2.gz MFXNYCLYBBNBFG-UHFFFAOYSA-N 1 3 352.523 0.630 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)CC[N@@H+]1C ZINC001020456955 663157549 /nfs/dbraw/zinc/15/75/49/663157549.db2.gz WQDMSHUDWZABJU-SMLCLMEVSA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)CC[N@H+]1C ZINC001020456955 663157550 /nfs/dbraw/zinc/15/75/50/663157550.db2.gz WQDMSHUDWZABJU-SMLCLMEVSA-N 1 3 350.507 0.917 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891513451 663410763 /nfs/dbraw/zinc/41/07/63/663410763.db2.gz CIPGULPBMJUUHN-BZUAXINKSA-N 1 3 352.479 0.308 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC001022737520 663507231 /nfs/dbraw/zinc/50/72/31/663507231.db2.gz 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ZINC000897433502 665258792 /nfs/dbraw/zinc/25/87/92/665258792.db2.gz XUWWWGFCWWBTGL-MRXNPFEDSA-N 1 3 351.495 0.278 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000989050171 665337636 /nfs/dbraw/zinc/33/76/36/665337636.db2.gz IBTBPMXWFPVEMX-VYDXJSESSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000989050171 665337640 /nfs/dbraw/zinc/33/76/40/665337640.db2.gz IBTBPMXWFPVEMX-VYDXJSESSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504559 666361712 /nfs/dbraw/zinc/36/17/12/666361712.db2.gz LAUFUAGRNZWZCT-UHFFFAOYSA-N 1 3 354.401 0.463 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000914155395 666709896 /nfs/dbraw/zinc/70/98/96/666709896.db2.gz ADFBXFKFZRTXGS-AEFFLSMTSA-N 1 3 373.563 0.827 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000993821417 666940354 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CCELKIWSWYYTPI-FVQBIDKESA-N 1 3 350.467 0.128 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001002263249 667527754 /nfs/dbraw/zinc/52/77/54/667527754.db2.gz NBCOHUNHFBURHG-BHYGNILZSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC001002263249 667527757 /nfs/dbraw/zinc/52/77/57/667527757.db2.gz NBCOHUNHFBURHG-BHYGNILZSA-N 1 3 350.507 0.633 20 0 FCADHO COCCN1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091052 667669775 /nfs/dbraw/zinc/66/97/75/667669775.db2.gz JTDJDHJNGGVGSJ-KSZLIROESA-N 1 3 353.507 0.912 20 0 FCADHO CC(C)N1CCO[C@H](CN2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326781 667825484 /nfs/dbraw/zinc/82/54/84/667825484.db2.gz KCPZKAYIEARQHR-ZWKOTPCHSA-N 1 3 352.523 0.092 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H](O)COc1ccc(F)cc1 ZINC000923346248 667827162 /nfs/dbraw/zinc/82/71/62/667827162.db2.gz QOXQYDFIJSRMJT-CVEARBPZSA-N 1 3 353.438 0.885 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000764500891 667985398 /nfs/dbraw/zinc/98/53/98/667985398.db2.gz ASJHCROHMNHUEL-CVEARBPZSA-N 1 3 367.563 0.584 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000764500891 667985399 /nfs/dbraw/zinc/98/53/99/667985399.db2.gz ASJHCROHMNHUEL-CVEARBPZSA-N 1 3 367.563 0.584 20 0 FCADHO Cc1noc(C)c1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000839285763 667990512 /nfs/dbraw/zinc/99/05/12/667990512.db2.gz HDDHBTXWOVFRRK-UHFFFAOYSA-N 1 3 353.467 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCCCC1 ZINC000788252021 668821463 /nfs/dbraw/zinc/82/14/63/668821463.db2.gz NLAYBJIKJHCHEQ-PBHICJAKSA-N 1 3 356.536 0.531 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000793701381 668943103 /nfs/dbraw/zinc/94/31/03/668943103.db2.gz PYGVQOJPNMOIEB-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000793701381 668943105 /nfs/dbraw/zinc/94/31/05/668943105.db2.gz PYGVQOJPNMOIEB-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)N1CCCCC1 ZINC000793728581 668945958 /nfs/dbraw/zinc/94/59/58/668945958.db2.gz VQZWLAIWJBTYDM-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)N1CCCCC1 ZINC000793728581 668945963 /nfs/dbraw/zinc/94/59/63/668945963.db2.gz VQZWLAIWJBTYDM-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+]1CCC2(CCCN(CC(=O)NCCCN3CCCC3=O)C2)CC1 ZINC000799178695 669287719 /nfs/dbraw/zinc/28/77/19/669287719.db2.gz DHWHEVUAFPDRDT-UHFFFAOYSA-N 1 3 350.507 0.923 20 0 FCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1[C@@H]1CCCOC1)C2=O ZINC000842619126 670702838 /nfs/dbraw/zinc/70/28/38/670702838.db2.gz UHMGARYZSMYIOT-HUUCEWRRSA-N 1 3 350.463 0.851 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362928 670807315 /nfs/dbraw/zinc/80/73/15/670807315.db2.gz VIUDKVBIKSIWMR-CHWSQXEVSA-N 1 3 351.451 0.332 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ZINC000884576387 673463154 /nfs/dbraw/zinc/46/31/54/673463154.db2.gz GSAJVSZQGSMHLE-LJQANCHMSA-N 1 3 350.507 0.827 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611972 673465840 /nfs/dbraw/zinc/46/58/40/673465840.db2.gz AEBCILGWQHRFPA-MSOLQXFVSA-N 1 3 370.563 0.763 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CCSC1 ZINC000884612106 673465872 /nfs/dbraw/zinc/46/58/72/673465872.db2.gz DGGYWLQVFQPNSR-KRWDZBQOSA-N 1 3 356.536 0.660 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000884631477 673468079 /nfs/dbraw/zinc/46/80/79/673468079.db2.gz LRKOBSNBOPMSBH-AGIUHOORSA-N 1 3 362.396 0.183 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884656632 673470101 /nfs/dbraw/zinc/47/01/01/673470101.db2.gz NXKZPQODIJOTDX-ZIAGYGMSSA-N 1 3 354.495 0.045 20 0 FCADHO CCN1CCN(CCC[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924661629 673760880 /nfs/dbraw/zinc/76/08/80/673760880.db2.gz OXPGVJGVPQTVJP-INIZCTEOSA-N 1 3 360.568 0.664 20 0 FCADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000927630159 673870981 /nfs/dbraw/zinc/87/09/81/673870981.db2.gz NFQORMBIRPBWIX-HOCLYGCPSA-N 1 3 354.495 0.384 20 0 FCADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000927630159 673870983 /nfs/dbraw/zinc/87/09/83/673870983.db2.gz NFQORMBIRPBWIX-HOCLYGCPSA-N 1 3 354.495 0.384 20 0 FCADHO CC[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001017487435 675411897 /nfs/dbraw/zinc/41/18/97/675411897.db2.gz OQLWJFLZPBKKOH-DJIMGWMZSA-N 1 3 350.507 0.942 20 0 FCADHO CC[C@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001017487435 675411898 /nfs/dbraw/zinc/41/18/98/675411898.db2.gz OQLWJFLZPBKKOH-DJIMGWMZSA-N 1 3 350.507 0.942 20 0 FCADHO CCOCCN1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900653107 675703960 /nfs/dbraw/zinc/70/39/60/675703960.db2.gz WKDBTLORZCCHSN-UHFFFAOYSA-N 1 3 354.539 0.973 20 0 FCADHO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CN(C)CCN1C ZINC000900805749 675718411 /nfs/dbraw/zinc/71/84/11/675718411.db2.gz QERVLAMKDXAPRT-SJORKVTESA-N 1 3 352.523 0.772 20 0 FCADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001746134737 1192203243 /nfs/dbraw/zinc/20/32/43/1192203243.db2.gz GLKVKSLSTWTZAL-OAHLLOKOSA-N 1 3 365.526 0.527 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104291933 1169660094 /nfs/dbraw/zinc/66/00/94/1169660094.db2.gz AESISTDVBOKSKT-OIISXLGYSA-N 1 3 365.522 0.426 20 0 FCADHO Cc1cc(NC(=O)CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n(C)n1 ZINC001266593487 1169796850 /nfs/dbraw/zinc/79/68/50/1169796850.db2.gz LPPWWMBBPOQUFK-KBUPBQIOSA-N 1 3 362.478 0.244 20 0 FCADHO Cc1cc(NC(=O)CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n(C)n1 ZINC001266593487 1169796857 /nfs/dbraw/zinc/79/68/57/1169796857.db2.gz LPPWWMBBPOQUFK-KBUPBQIOSA-N 1 3 362.478 0.244 20 0 FCADHO CC(C)[C@@]1(CO)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000581474587 1170363672 /nfs/dbraw/zinc/36/36/72/1170363672.db2.gz LLGHKWZWQJBDOT-IBGZPJMESA-N 1 3 370.538 0.195 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001691263445 1170986773 /nfs/dbraw/zinc/98/67/73/1170986773.db2.gz RGYOPUAWPTYTGY-JZXOWHBKSA-N 1 3 368.522 0.306 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3nccs3)C2)C1 ZINC001691268596 1171003401 /nfs/dbraw/zinc/00/34/01/1171003401.db2.gz VKBQJEHIKLWAKY-MELADBBJSA-N 1 3 365.503 0.908 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3nccs3)C2)C1 ZINC001691268596 1171003416 /nfs/dbraw/zinc/00/34/16/1171003416.db2.gz VKBQJEHIKLWAKY-MELADBBJSA-N 1 3 365.503 0.908 20 0 FCADHO C[C@@]1(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC[NH2+]C1 ZINC000892060446 1171542156 /nfs/dbraw/zinc/54/21/56/1171542156.db2.gz PXBJZLRGDINOSA-GOSISDBHSA-N 1 3 365.522 0.892 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000130568294 1171733970 /nfs/dbraw/zinc/73/39/70/1171733970.db2.gz OGVPSOBQYKMPAY-UHFFFAOYSA-N 1 3 372.473 0.763 20 0 FCADHO CO[C@H](CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CCC1 ZINC001083249500 1172020965 /nfs/dbraw/zinc/02/09/65/1172020965.db2.gz HXZAQRAVUCIKBQ-RCCFBDPRSA-N 1 3 363.502 0.809 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC000972418094 1172101788 /nfs/dbraw/zinc/10/17/88/1172101788.db2.gz WMAXEXPQROHAAJ-QBPKDAKJSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC000972418094 1172101811 /nfs/dbraw/zinc/10/18/11/1172101811.db2.gz WMAXEXPQROHAAJ-QBPKDAKJSA-N 1 3 362.518 0.870 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000989191190 1192733165 /nfs/dbraw/zinc/73/31/65/1192733165.db2.gz NDKJFJSMTZOCHP-BMFZPTHFSA-N 1 3 359.474 0.708 20 0 FCADHO CCN1CC[C@@H](NC[C@@H]2C[C@H](C)CCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001087236742 1179069783 /nfs/dbraw/zinc/06/97/83/1179069783.db2.gz JLMYTSCIJHVZCI-IXDOHACOSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)[C@@H]3C2)CCC1 ZINC000972649079 1180187351 /nfs/dbraw/zinc/18/73/51/1180187351.db2.gz MZOWPLSNHIXFSV-BRWVUGGUSA-N 1 3 362.518 0.870 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(N4CCCC4=O)C3)CC2)CC1 ZINC000892521769 1181721592 /nfs/dbraw/zinc/72/15/92/1181721592.db2.gz DWJCXSLXZLJCGB-UHFFFAOYSA-N 1 3 363.506 0.561 20 0 FCADHO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000892524878 1181729524 /nfs/dbraw/zinc/72/95/24/1181729524.db2.gz QTMQBKNXHJAXJV-OAHLLOKOSA-N 1 3 357.462 0.819 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001267572710 1181876534 /nfs/dbraw/zinc/87/65/34/1181876534.db2.gz UMXNYOIDIJZJLL-CEXWTWQISA-N 1 3 366.550 0.829 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001267572710 1181876538 /nfs/dbraw/zinc/87/65/38/1181876538.db2.gz UMXNYOIDIJZJLL-CEXWTWQISA-N 1 3 366.550 0.829 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892598955 1181911547 /nfs/dbraw/zinc/91/15/47/1181911547.db2.gz OZQOFTUQBFQALZ-YYIAUSFCSA-N 1 3 363.506 0.465 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001104728965 1182400932 /nfs/dbraw/zinc/40/09/32/1182400932.db2.gz JYMXIHCBSANCLW-GDBMZVCRSA-N 1 3 357.458 0.925 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccco1 ZINC000423723857 1186044085 /nfs/dbraw/zinc/04/40/85/1186044085.db2.gz HONOXONVSYXSFJ-IBGZPJMESA-N 1 3 362.474 0.914 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC000981776609 1186517427 /nfs/dbraw/zinc/51/74/27/1186517427.db2.gz RYDZCVMETOQCOI-HZPDHXFCSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(CCN2CCNC2=O)C3)CC[N@H+]1C ZINC000981776609 1186517428 /nfs/dbraw/zinc/51/74/28/1186517428.db2.gz RYDZCVMETOQCOI-HZPDHXFCSA-N 1 3 363.506 0.276 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C(C)C ZINC000550349022 1188341476 /nfs/dbraw/zinc/34/14/76/1188341476.db2.gz SYBJFDZNEOVKKU-UHFFFAOYSA-N 1 3 369.554 0.317 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)N1CCN(C)CC1 ZINC000550381483 1188344252 /nfs/dbraw/zinc/34/42/52/1188344252.db2.gz KJWMLRYOPSHPQR-QGZVFWFLSA-N 1 3 369.554 0.173 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001087908546 1189894194 /nfs/dbraw/zinc/89/41/94/1189894194.db2.gz FUFOFCRNOGVVQE-SQNIBIBYSA-N 1 3 358.486 0.760 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001087908546 1189894195 /nfs/dbraw/zinc/89/41/95/1189894195.db2.gz FUFOFCRNOGVVQE-SQNIBIBYSA-N 1 3 358.486 0.760 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105962 1190592018 /nfs/dbraw/zinc/59/20/18/1190592018.db2.gz JMINPARZQPWAMN-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105962 1190592026 /nfs/dbraw/zinc/59/20/26/1190592026.db2.gz JMINPARZQPWAMN-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106599 1190594122 /nfs/dbraw/zinc/59/41/22/1190594122.db2.gz IYTKYUZAZSJVCQ-ZACQAIPSSA-N 1 3 363.506 0.134 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088106599 1190594126 /nfs/dbraw/zinc/59/41/26/1190594126.db2.gz IYTKYUZAZSJVCQ-ZACQAIPSSA-N 1 3 363.506 0.134 20 0 FCADHO Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1=O ZINC001088121124 1190614150 /nfs/dbraw/zinc/61/41/50/1190614150.db2.gz PKRYWGIOKMZSLH-CVEARBPZSA-N 1 3 355.442 0.631 20 0 FCADHO Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1=O ZINC001088121124 1190614153 /nfs/dbraw/zinc/61/41/53/1190614153.db2.gz PKRYWGIOKMZSLH-CVEARBPZSA-N 1 3 355.442 0.631 20 0 FCADHO C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1)C1CC1 ZINC000986137337 1190904128 /nfs/dbraw/zinc/90/41/28/1190904128.db2.gz PYSSOHILHJCVGP-ZIFCJYIRSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1)N(C)C ZINC000986322525 1190955335 /nfs/dbraw/zinc/95/53/35/1190955335.db2.gz ZYSZJFYAIYZKQO-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccn(C)c(=O)c1 ZINC001088572116 1191207833 /nfs/dbraw/zinc/20/78/33/1191207833.db2.gz YEURYSLRUTZCAN-OLMNPRSZSA-N 1 3 358.486 0.806 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@H]2C[NH2+][C@H]2C)cc1)C(N)=O ZINC001218385420 1224157752 /nfs/dbraw/zinc/15/77/52/1224157752.db2.gz IDQZCYWKNXJWHA-STECZYCISA-N 1 3 362.474 0.312 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1 ZINC001691582234 1193734040 /nfs/dbraw/zinc/73/40/40/1193734040.db2.gz WQJIJGOHDPJXIO-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1 ZINC001691582234 1193734041 /nfs/dbraw/zinc/73/40/41/1193734041.db2.gz WQJIJGOHDPJXIO-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582212 1193734077 /nfs/dbraw/zinc/73/40/77/1193734077.db2.gz VSMKPLAWWHFQFE-IKGGRYGDSA-N 1 3 360.506 0.888 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001691582212 1193734078 /nfs/dbraw/zinc/73/40/78/1193734078.db2.gz VSMKPLAWWHFQFE-IKGGRYGDSA-N 1 3 360.506 0.888 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C[C@H](O)Cn1cccn1 ZINC001088702131 1193800156 /nfs/dbraw/zinc/80/01/56/1193800156.db2.gz FAFCGQWMJBQYPX-IKGGRYGDSA-N 1 3 361.490 0.451 20 0 FCADHO C[C@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000550986094 1193824724 /nfs/dbraw/zinc/82/47/24/1193824724.db2.gz MYRIUOQFXPMHOT-GOEBONIOSA-N 1 3 364.490 0.971 20 0 FCADHO COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655597 1193860053 /nfs/dbraw/zinc/86/00/53/1193860053.db2.gz JIEJUBDHZLFCEQ-PSBWJHGTSA-N 1 3 364.490 0.955 20 0 FCADHO CN1CCN(c2cc(NC(=O)c3ccc([C@@H]([NH3+])CN)cc3)ncn2)CC1 ZINC001218573266 1224175699 /nfs/dbraw/zinc/17/56/99/1224175699.db2.gz SZLBETUSFMIPDK-HNNXBMFYSA-N 1 3 355.446 0.439 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105669271 1193967076 /nfs/dbraw/zinc/96/70/76/1193967076.db2.gz QOCKYGFJOGOBLT-VVWQDTPRSA-N 1 3 368.522 0.170 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553599862 1194009403 /nfs/dbraw/zinc/00/94/03/1194009403.db2.gz LSLHDDZOVHZCFP-OAHLLOKOSA-N 1 3 368.522 0.593 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553599862 1194009409 /nfs/dbraw/zinc/00/94/09/1194009409.db2.gz LSLHDDZOVHZCFP-OAHLLOKOSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@]1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188617 1194084927 /nfs/dbraw/zinc/08/49/27/1194084927.db2.gz IZPAQJVZCVOPMF-YLJYHZDGSA-N 1 3 374.485 0.119 20 0 FCADHO C[C@]1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188617 1194084932 /nfs/dbraw/zinc/08/49/32/1194084932.db2.gz IZPAQJVZCVOPMF-YLJYHZDGSA-N 1 3 374.485 0.119 20 0 FCADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076324781 1194393556 /nfs/dbraw/zinc/39/35/56/1194393556.db2.gz ZVZUTDYBLBJSMP-HRCADAONSA-N 1 3 362.474 0.056 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@@H](O)COC(C)(C)C)C2 ZINC001276798471 1224251703 /nfs/dbraw/zinc/25/17/03/1224251703.db2.gz DKCHPUHECYLLIL-APWZRJJASA-N 1 3 371.522 0.275 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@H]1CCCN1C1CCCC1 ZINC001077133004 1195248566 /nfs/dbraw/zinc/24/85/66/1195248566.db2.gz FAMNMCIHOOFAJY-GUDVDZBRSA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H]1CCCN1C1CCCC1 ZINC001077133004 1195248571 /nfs/dbraw/zinc/24/85/71/1195248571.db2.gz FAMNMCIHOOFAJY-GUDVDZBRSA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077218988 1195327671 /nfs/dbraw/zinc/32/76/71/1195327671.db2.gz DUBDMGGGVRYLEO-KZNAEPCWSA-N 1 3 365.518 0.840 20 0 FCADHO CCO[C@@H](CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)C1CC1 ZINC001218965314 1224274015 /nfs/dbraw/zinc/27/40/15/1224274015.db2.gz JQEWXLFZQXYWAK-OKZBNKHCSA-N 1 3 363.502 0.809 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]21 ZINC001218970893 1224275573 /nfs/dbraw/zinc/27/55/73/1224275573.db2.gz NNKIRSQKDVZVHG-FGTMMUONSA-N 1 3 369.506 0.435 20 0 FCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000911163371 1195901122 /nfs/dbraw/zinc/90/11/22/1195901122.db2.gz XDKJFDKSGPTLLN-MRXNPFEDSA-N 1 3 358.486 0.748 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001105945343 1196750488 /nfs/dbraw/zinc/75/04/88/1196750488.db2.gz UDEHWFHHAGZLNM-KFWWJZLASA-N 1 3 360.462 0.193 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249261 1197782425 /nfs/dbraw/zinc/78/24/25/1197782425.db2.gz DVDFNTVVILWIHL-ZTFGCOKTSA-N 1 3 368.522 0.163 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1CNCc1cn(C)nn1 ZINC001106346430 1197873781 /nfs/dbraw/zinc/87/37/81/1197873781.db2.gz DGBKFVNXGPRISP-HZPDHXFCSA-N 1 3 371.489 0.921 20 0 FCADHO CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453508 1197933152 /nfs/dbraw/zinc/93/31/52/1197933152.db2.gz LWVICUKNWUPFEH-QUJXQBBWSA-N 1 3 365.518 0.959 20 0 FCADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000915062467 1197934034 /nfs/dbraw/zinc/93/40/34/1197934034.db2.gz IGYNLCAVAGOUER-SFHVURJKSA-N 1 3 366.506 0.166 20 0 FCADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000915062467 1197934041 /nfs/dbraw/zinc/93/40/41/1197934041.db2.gz IGYNLCAVAGOUER-SFHVURJKSA-N 1 3 366.506 0.166 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716149 1197946039 /nfs/dbraw/zinc/94/60/39/1197946039.db2.gz KIQXYZOUGXPBND-UYAOXDASSA-N 1 3 374.529 0.479 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000828716149 1197946056 /nfs/dbraw/zinc/94/60/56/1197946056.db2.gz KIQXYZOUGXPBND-UYAOXDASSA-N 1 3 374.529 0.479 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)COC1(C)C ZINC001219539792 1224502408 /nfs/dbraw/zinc/50/24/08/1224502408.db2.gz AUHRWNKFZNOESO-UHXUCMFUSA-N 1 3 374.441 0.384 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001169131617 1199047931 /nfs/dbraw/zinc/04/79/31/1199047931.db2.gz WLPHYIQZGQLRQW-PIIMJCKOSA-N 1 3 364.534 0.867 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001169131617 1199047935 /nfs/dbraw/zinc/04/79/35/1199047935.db2.gz WLPHYIQZGQLRQW-PIIMJCKOSA-N 1 3 364.534 0.867 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001169131616 1199048732 /nfs/dbraw/zinc/04/87/32/1199048732.db2.gz WLPHYIQZGQLRQW-BCDXTJNWSA-N 1 3 364.534 0.867 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001169131616 1199048743 /nfs/dbraw/zinc/04/87/43/1199048743.db2.gz WLPHYIQZGQLRQW-BCDXTJNWSA-N 1 3 364.534 0.867 20 0 FCADHO Cc1cn([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169115612 1199049838 /nfs/dbraw/zinc/04/98/38/1199049838.db2.gz LPBBUWXPSWXHFR-RWHKXBQASA-N 1 3 364.446 0.121 20 0 FCADHO CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)C1 ZINC001169547820 1199072631 /nfs/dbraw/zinc/07/26/31/1199072631.db2.gz WNINLLCKUUZRTJ-VAMGGRTRSA-N 1 3 364.534 0.868 20 0 FCADHO CC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)C1 ZINC001169547820 1199072640 /nfs/dbraw/zinc/07/26/40/1199072640.db2.gz WNINLLCKUUZRTJ-VAMGGRTRSA-N 1 3 364.534 0.868 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001129348040 1199097374 /nfs/dbraw/zinc/09/73/74/1199097374.db2.gz JDHMENVCPPXNQY-SJORKVTESA-N 1 3 362.478 0.140 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc(=O)oc2c1 ZINC001219636384 1224539813 /nfs/dbraw/zinc/53/98/13/1224539813.db2.gz ZRUMWUWFWRXYIA-HUBLWGQQSA-N 1 3 363.389 0.488 20 0 FCADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538881 1200371362 /nfs/dbraw/zinc/37/13/62/1200371362.db2.gz XPDOFFXUHTWYSH-IBTBTWTJSA-N 1 3 363.502 0.998 20 0 FCADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538881 1200371366 /nfs/dbraw/zinc/37/13/66/1200371366.db2.gz XPDOFFXUHTWYSH-IBTBTWTJSA-N 1 3 363.502 0.998 20 0 FCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831665 1224644265 /nfs/dbraw/zinc/64/42/65/1224644265.db2.gz STRQIGDHGGJPHB-VQHPVUNQSA-N 1 3 361.442 0.330 20 0 FCADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579116 1201023587 /nfs/dbraw/zinc/02/35/87/1201023587.db2.gz NATMDSFDNAMUOC-OTWHNJEPSA-N 1 3 368.485 0.957 20 0 FCADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579116 1201023598 /nfs/dbraw/zinc/02/35/98/1201023598.db2.gz NATMDSFDNAMUOC-OTWHNJEPSA-N 1 3 368.485 0.957 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130047687 1201486495 /nfs/dbraw/zinc/48/64/95/1201486495.db2.gz NZHRIIGCQIMLLG-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123180 1201511299 /nfs/dbraw/zinc/51/12/99/1201511299.db2.gz KELOCBNZHAPROB-UAGQMJEPSA-N 1 3 362.478 0.140 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123180 1201511304 /nfs/dbraw/zinc/51/13/04/1201511304.db2.gz KELOCBNZHAPROB-UAGQMJEPSA-N 1 3 362.478 0.140 20 0 FCADHO CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[n-]1 ZINC001130251448 1201570443 /nfs/dbraw/zinc/57/04/43/1201570443.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 1 3 364.494 0.635 20 0 FCADHO CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[n-]1 ZINC001130251448 1201570446 /nfs/dbraw/zinc/57/04/46/1201570446.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 1 3 364.494 0.635 20 0 FCADHO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[n-]1 ZINC001130251327 1201570505 /nfs/dbraw/zinc/57/05/05/1201570505.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 1 3 366.510 0.879 20 0 FCADHO CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[n-]1 ZINC001130251327 1201570506 /nfs/dbraw/zinc/57/05/06/1201570506.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 1 3 366.510 0.879 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130305140 1201581225 /nfs/dbraw/zinc/58/12/25/1201581225.db2.gz KUKMVNPTDKJWDD-APWZRJJASA-N 1 3 368.522 0.186 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130307676 1201582557 /nfs/dbraw/zinc/58/25/57/1201582557.db2.gz YIVFIICHYYFFIE-GMBSWORKSA-N 1 3 368.522 0.184 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941410 1224692823 /nfs/dbraw/zinc/69/28/23/1224692823.db2.gz XPSYIBGYDRHSBI-IAGOWNOFSA-N 1 3 361.490 0.791 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941410 1224692826 /nfs/dbraw/zinc/69/28/26/1224692826.db2.gz XPSYIBGYDRHSBI-IAGOWNOFSA-N 1 3 361.490 0.791 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCc1ccncc1 ZINC001219980770 1224712713 /nfs/dbraw/zinc/71/27/13/1224712713.db2.gz OVWYZAUKPUPGIQ-IRXDYDNUSA-N 1 3 361.490 0.578 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672537 1202752165 /nfs/dbraw/zinc/75/21/65/1202752165.db2.gz RRWFYZALJOBGDU-HLLBOEOZSA-N 1 3 365.522 0.663 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130685328 1202753491 /nfs/dbraw/zinc/75/34/91/1202753491.db2.gz OPAOQIONFHIKIZ-DOTOQJQBSA-N 1 3 360.462 0.697 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131007830 1202841969 /nfs/dbraw/zinc/84/19/69/1202841969.db2.gz NHJINXYATBVWPL-JFIYKMOQSA-N 1 3 363.506 0.681 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCCO ZINC001131071959 1202856653 /nfs/dbraw/zinc/85/66/53/1202856653.db2.gz GLKGVVQQBAKYER-HZPDHXFCSA-N 1 3 363.506 0.418 20 0 FCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134129573 1203014317 /nfs/dbraw/zinc/01/43/17/1203014317.db2.gz LGLRCOYSIZEFQS-NXHRZFHOSA-N 1 3 360.502 0.952 20 0 FCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129573 1203014320 /nfs/dbraw/zinc/01/43/20/1203014320.db2.gz LGLRCOYSIZEFQS-NXHRZFHOSA-N 1 3 360.502 0.952 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817927176 1203124656 /nfs/dbraw/zinc/12/46/56/1203124656.db2.gz YJSOBJWIWQEIER-OAQYLSRUSA-N 1 3 372.513 0.974 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817927200 1203124704 /nfs/dbraw/zinc/12/47/04/1203124704.db2.gz ZCKPQYQJZIZFTG-SJLPKXTDSA-N 1 3 360.502 0.815 20 0 FCADHO CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@]23C[NH2+]C[C@H]2CCN3)c1 ZINC001220120582 1224777383 /nfs/dbraw/zinc/77/73/83/1224777383.db2.gz IIZUXYHNUBAGPW-ACJLOTCBSA-N 1 3 359.430 0.350 20 0 FCADHO COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220296581 1224822980 /nfs/dbraw/zinc/82/29/80/1224822980.db2.gz SIUYEKQAOGEPLJ-BEFAXECRSA-N 1 3 370.453 0.567 20 0 FCADHO Cn1cc(C[C@H](N)C(=O)NCCN2CCC[N@H+](C)CC2)c2ccccc21 ZINC001220306152 1224824577 /nfs/dbraw/zinc/82/45/77/1224824577.db2.gz DPHNKOLYOGSUJR-SFHVURJKSA-N 1 3 357.502 0.802 20 0 FCADHO Cn1cc(C[C@H](N)C(=O)NCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC001220306152 1224824580 /nfs/dbraw/zinc/82/45/80/1224824580.db2.gz DPHNKOLYOGSUJR-SFHVURJKSA-N 1 3 357.502 0.802 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001144934345 1204660053 /nfs/dbraw/zinc/66/00/53/1204660053.db2.gz XZLYEARQZDYCFN-SJLPKXTDSA-N 1 3 371.485 0.982 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2NCc2cccnc2)cn1 ZINC001087009801 1204897586 /nfs/dbraw/zinc/89/75/86/1204897586.db2.gz YXFNWIBMITYJPK-YTQUADARSA-N 1 3 368.485 0.851 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cccnc2)cn1 ZINC001087009801 1204897587 /nfs/dbraw/zinc/89/75/87/1204897587.db2.gz YXFNWIBMITYJPK-YTQUADARSA-N 1 3 368.485 0.851 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087059372 1204942868 /nfs/dbraw/zinc/94/28/68/1204942868.db2.gz BIXCYFDKZWPRSW-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087059648 1204944144 /nfs/dbraw/zinc/94/41/44/1204944144.db2.gz OANPJZPVOBBIPB-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059541 1204944189 /nfs/dbraw/zinc/94/41/89/1204944189.db2.gz KRFGNDLDEPEOAE-IAGOWNOFSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087059649 1204944740 /nfs/dbraw/zinc/94/47/40/1204944740.db2.gz OANPJZPVOBBIPB-HYVNUMGLSA-N 1 3 366.506 0.202 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001087096695 1205004204 /nfs/dbraw/zinc/00/42/04/1205004204.db2.gz XTCRKHCRGHVYFR-JFIYKMOQSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001087096695 1205004208 /nfs/dbraw/zinc/00/42/08/1205004208.db2.gz XTCRKHCRGHVYFR-JFIYKMOQSA-N 1 3 363.506 0.715 20 0 FCADHO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@@H](N)CCC[NH3+])OC(C)(C)O1 ZINC001220466282 1224881862 /nfs/dbraw/zinc/88/18/62/1224881862.db2.gz ABTYATBUWQGGLV-RDBSUJKOSA-N 1 3 373.494 0.811 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc2ccnn21 ZINC001220553485 1224926328 /nfs/dbraw/zinc/92/63/28/1224926328.db2.gz NOCICNZJWXZHBV-IRXDYDNUSA-N 1 3 372.473 0.398 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169132 1206258485 /nfs/dbraw/zinc/25/84/85/1206258485.db2.gz DLSTWLXFEKGDEO-MSOLQXFVSA-N 1 3 372.513 0.964 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169132 1206258488 /nfs/dbraw/zinc/25/84/88/1206258488.db2.gz DLSTWLXFEKGDEO-MSOLQXFVSA-N 1 3 372.513 0.964 20 0 FCADHO CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)N(CCCC[NH3+])C(=N)N)=NO[C@@H]2C1 ZINC001179229622 1206378613 /nfs/dbraw/zinc/37/86/13/1206378613.db2.gz XUTGJNHLPAPVQZ-WDEREUQCSA-N 1 3 368.438 0.069 20 0 FCADHO CC1(C)CC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000774496218 1206438142 /nfs/dbraw/zinc/43/81/42/1206438142.db2.gz ZVLVHDQSYJZCHT-GJZGRUSLSA-N 1 3 366.506 0.391 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCc3ccco3)C2)CC[N@@H+]1C ZINC001182693537 1206442192 /nfs/dbraw/zinc/44/21/92/1206442192.db2.gz VVEGNMQJPOYAEK-HYVNUMGLSA-N 1 3 362.474 0.817 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCc3ccco3)C2)CC[N@H+]1C ZINC001182693537 1206442195 /nfs/dbraw/zinc/44/21/95/1206442195.db2.gz VVEGNMQJPOYAEK-HYVNUMGLSA-N 1 3 362.474 0.817 20 0 FCADHO CN(C1CN(C(=O)c2ccccc2CN2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001188355161 1207450433 /nfs/dbraw/zinc/45/04/33/1207450433.db2.gz ZTVGNLKUPLDGKT-SFHVURJKSA-N 1 3 372.513 0.979 20 0 FCADHO CN(CCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405168 1207454177 /nfs/dbraw/zinc/45/41/77/1207454177.db2.gz CFWMDUFUFCMSRP-BHYGNILZSA-N 1 3 357.458 0.329 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001188970063 1207492802 /nfs/dbraw/zinc/49/28/02/1207492802.db2.gz FQJXECNUBDVBGA-ARFHVFGLSA-N 1 3 358.490 0.640 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001189820043 1207605375 /nfs/dbraw/zinc/60/53/75/1207605375.db2.gz LQVWFEMQBIBWBS-OKZBNKHCSA-N 1 3 369.506 0.293 20 0 FCADHO COC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001489052754 1208622516 /nfs/dbraw/zinc/62/25/16/1208622516.db2.gz QDMKTYSYZYJIMQ-SQNIBIBYSA-N 1 3 355.523 0.942 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001489361125 1208821348 /nfs/dbraw/zinc/82/13/48/1208821348.db2.gz FFRVWZXTRPQTGG-INMHGKMJSA-N 1 3 370.538 0.238 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001489662985 1209077416 /nfs/dbraw/zinc/07/74/16/1209077416.db2.gz HWPOUIDFFFLAHG-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001489662985 1209077417 /nfs/dbraw/zinc/07/74/17/1209077417.db2.gz HWPOUIDFFFLAHG-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO C[NH+](C)CCN1CCC2(CCN(C[C@@H](O)C(=O)OC(C)(C)C)CC2)C1=O ZINC001276817266 1225139874 /nfs/dbraw/zinc/13/98/74/1225139874.db2.gz FJLZQDILZOOYSZ-OAHLLOKOSA-N 1 3 369.506 0.565 20 0 FCADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000851680108 1209510678 /nfs/dbraw/zinc/51/06/78/1209510678.db2.gz GJIGZCQAGSFDBG-UHFFFAOYSA-N 1 3 372.473 0.957 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857244629 1209748085 /nfs/dbraw/zinc/74/80/85/1209748085.db2.gz IYZQAIWVJIBEBV-NQIIRXRSSA-N 1 3 372.513 0.959 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741325 1209878698 /nfs/dbraw/zinc/87/86/98/1209878698.db2.gz ZXZFLSYMONUZRT-WMLDXEAASA-N 1 3 364.490 1.000 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000861745479 1209879162 /nfs/dbraw/zinc/87/91/62/1209879162.db2.gz MKDOGDDMYTXPSG-RDJZCZTQSA-N 1 3 362.474 0.199 20 0 FCADHO COc1ccnc(C2(CNC(=O)[C@H]3C[NH2+]CC34CNC4)CCOCC2)c1 ZINC001220990707 1225177910 /nfs/dbraw/zinc/17/79/10/1225177910.db2.gz VYEIXXFFWHRLCC-OAHLLOKOSA-N 1 3 360.458 0.064 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863750566 1209949519 /nfs/dbraw/zinc/94/95/19/1209949519.db2.gz QUYZIDZNIAJRDN-DOTOQJQBSA-N 1 3 361.490 0.700 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863750568 1209949570 /nfs/dbraw/zinc/94/95/70/1209949570.db2.gz QUYZIDZNIAJRDN-RDJZCZTQSA-N 1 3 361.490 0.700 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000863754103 1209949997 /nfs/dbraw/zinc/94/99/97/1209949997.db2.gz NYSMBYGDGUURHG-OAHLLOKOSA-N 1 3 361.490 0.353 20 0 FCADHO NC(=O)c1ccc(CCN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665750 1210001133 /nfs/dbraw/zinc/00/11/33/1210001133.db2.gz GECVQAQCNQPANM-ZWKOTPCHSA-N 1 3 371.485 0.548 20 0 FCADHO Cn1c2[n-]c(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)nc2c(=O)n(C)c1=O ZINC000879250444 1210475915 /nfs/dbraw/zinc/47/59/15/1210475915.db2.gz VQPZECSFBXLUFJ-UHFFFAOYSA-N 1 3 360.462 0.268 20 0 FCADHO CN1CC[NH+](C2CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879595848 1210491145 /nfs/dbraw/zinc/49/11/45/1210491145.db2.gz GPFIQVBQWFIZBQ-IBGZPJMESA-N 1 3 370.538 0.974 20 0 FCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001221113874 1225227318 /nfs/dbraw/zinc/22/73/18/1225227318.db2.gz DZMHCVUIJYCMSK-UZLBHIALSA-N 1 3 358.486 0.978 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883331899 1210662502 /nfs/dbraw/zinc/66/25/02/1210662502.db2.gz JFNAMQNIVGBXBS-KZNAEPCWSA-N 1 3 366.506 0.792 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000883437219 1210667507 /nfs/dbraw/zinc/66/75/07/1210667507.db2.gz MUQSEQKMHBQNDP-IXDOHACOSA-N 1 3 365.474 0.972 20 0 FCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000889333032 1210703348 /nfs/dbraw/zinc/70/33/48/1210703348.db2.gz RGJCLSHIOCRVLM-HOTGVXAUSA-N 1 3 370.542 0.020 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000884508270 1210741386 /nfs/dbraw/zinc/74/13/86/1210741386.db2.gz ZGOMVJBTBPZZOF-HNNXBMFYSA-N 1 3 367.538 0.023 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)Cc1ccccc1 ZINC000884559682 1210751196 /nfs/dbraw/zinc/75/11/96/1210751196.db2.gz BJFDCLFJLZSKSN-FGTMMUONSA-N 1 3 374.485 0.042 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884576425 1210754899 /nfs/dbraw/zinc/75/48/99/1210754899.db2.gz HIIAFXOLAFHVBK-FUHWJXTLSA-N 1 3 360.502 0.911 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616983 1210763307 /nfs/dbraw/zinc/76/33/07/1210763307.db2.gz FULRSSNUCJSOGK-HOTGVXAUSA-N 1 3 366.506 0.252 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884670155 1210775865 /nfs/dbraw/zinc/77/58/65/1210775865.db2.gz QFLUZTSSAJKCPV-BRWVUGGUSA-N 1 3 367.538 0.010 20 0 FCADHO CN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1(C[NH3+])CCCCC1 ZINC000884786955 1210795244 /nfs/dbraw/zinc/79/52/44/1210795244.db2.gz BEEHFQLQZYDTBI-MRXNPFEDSA-N 1 3 366.506 0.476 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885157304 1210813498 /nfs/dbraw/zinc/81/34/98/1210813498.db2.gz KOUSQKCSYSCAMP-ZWKOTPCHSA-N 1 3 358.486 0.760 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885154429 1210813523 /nfs/dbraw/zinc/81/35/23/1210813523.db2.gz WLMUQMCAPPJEQR-ZTFGCOKTSA-N 1 3 358.486 0.616 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885154429 1210813527 /nfs/dbraw/zinc/81/35/27/1210813527.db2.gz WLMUQMCAPPJEQR-ZTFGCOKTSA-N 1 3 358.486 0.616 20 0 FCADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000885161208 1210814259 /nfs/dbraw/zinc/81/42/59/1210814259.db2.gz CMAJMLROWYYRBJ-SFHVURJKSA-N 1 3 370.497 0.904 20 0 FCADHO COCCOC[NH2+][C@@]12CC[C@@](NC(=O)C3(O)CCN(C)CC3)(C1)CCC2 ZINC001274202581 1210910672 /nfs/dbraw/zinc/91/06/72/1210910672.db2.gz GLCPIXLWXZDPQP-ZWKOTPCHSA-N 1 3 369.506 0.615 20 0 FCADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCN1CCN(C)CC1 ZINC001274513391 1211071481 /nfs/dbraw/zinc/07/14/81/1211071481.db2.gz BOWZZRUAIFMPRE-YQQQUEKLSA-N 1 3 365.566 0.687 20 0 FCADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068639 1211173706 /nfs/dbraw/zinc/17/37/06/1211173706.db2.gz JTKWMASBEHORPG-UYAOXDASSA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068639 1211173707 /nfs/dbraw/zinc/17/37/07/1211173707.db2.gz JTKWMASBEHORPG-UYAOXDASSA-N 1 3 366.550 0.973 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCOC2)CC1 ZINC001275141521 1211178796 /nfs/dbraw/zinc/17/87/96/1211178796.db2.gz GMVBWWYWRWILGK-GUDVDZBRSA-N 1 3 364.534 0.726 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H]2CCOC2)CC1 ZINC001275141521 1211178799 /nfs/dbraw/zinc/17/87/99/1211178799.db2.gz GMVBWWYWRWILGK-GUDVDZBRSA-N 1 3 364.534 0.726 20 0 FCADHO COc1cnccc1CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275372057 1211225478 /nfs/dbraw/zinc/22/54/78/1211225478.db2.gz UPEIBHTZDICAED-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001221256748 1225282858 /nfs/dbraw/zinc/28/28/58/1225282858.db2.gz KTBJXQCYQMCVBE-HOTGVXAUSA-N 1 3 367.494 0.506 20 0 FCADHO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221275350 1225287429 /nfs/dbraw/zinc/28/74/29/1225287429.db2.gz AYCNAYOECIHHMA-ROUUACIJSA-N 1 3 370.497 0.535 20 0 FCADHO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221275352 1225287660 /nfs/dbraw/zinc/28/76/60/1225287660.db2.gz AYCNAYOECIHHMA-ZWKOTPCHSA-N 1 3 370.497 0.535 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592030 1211438656 /nfs/dbraw/zinc/43/86/56/1211438656.db2.gz BOKGIJDNSIRDHU-KXBFYZLASA-N 1 3 361.490 0.973 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592030 1211438658 /nfs/dbraw/zinc/43/86/58/1211438658.db2.gz BOKGIJDNSIRDHU-KXBFYZLASA-N 1 3 361.490 0.973 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926347193 1211536194 /nfs/dbraw/zinc/53/61/94/1211536194.db2.gz DFECZISULAPIJN-OTWHNJEPSA-N 1 3 370.497 0.787 20 0 FCADHO C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350516 1225301958 /nfs/dbraw/zinc/30/19/58/1225301958.db2.gz TWGWQSWVVVMKIS-IHRRRGAJSA-N 1 3 372.510 0.397 20 0 FCADHO COC(=O)c1ccc(OC[C@H](O)CN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931487899 1211757885 /nfs/dbraw/zinc/75/78/85/1211757885.db2.gz KNKHVEVAJZJSFR-MRXNPFEDSA-N 1 3 366.458 0.601 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001007853306 1212592228 /nfs/dbraw/zinc/59/22/28/1212592228.db2.gz UNRHIXCOWTWQDM-YRNRMSPPSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC001009120497 1212807215 /nfs/dbraw/zinc/80/72/15/1212807215.db2.gz RBFLXCHKOYEXOH-FGTAOJJYSA-N 1 3 362.518 0.632 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC001009120497 1212807216 /nfs/dbraw/zinc/80/72/16/1212807216.db2.gz RBFLXCHKOYEXOH-FGTAOJJYSA-N 1 3 362.518 0.632 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000952610609 1212965096 /nfs/dbraw/zinc/96/50/96/1212965096.db2.gz QOGXUKZIIBOCNA-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000952610609 1212965101 /nfs/dbraw/zinc/96/51/01/1212965101.db2.gz QOGXUKZIIBOCNA-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1NC(=O)CN1CCCC1 ZINC000957096256 1213251230 /nfs/dbraw/zinc/25/12/30/1213251230.db2.gz PRZBDMQTTOYDON-GDBMZVCRSA-N 1 3 359.474 0.820 20 0 FCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701527 1225448646 /nfs/dbraw/zinc/44/86/46/1225448646.db2.gz SNSQCNKXXOQFKC-MOXMWUHRSA-N 1 3 363.502 0.807 20 0 FCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701527 1225448648 /nfs/dbraw/zinc/44/86/48/1225448648.db2.gz SNSQCNKXXOQFKC-MOXMWUHRSA-N 1 3 363.502 0.807 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000958860429 1213443603 /nfs/dbraw/zinc/44/36/03/1213443603.db2.gz QENNKHJGUFQROA-QEOTZNIISA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000958860429 1213443605 /nfs/dbraw/zinc/44/36/05/1213443605.db2.gz QENNKHJGUFQROA-QEOTZNIISA-N 1 3 368.522 0.087 20 0 FCADHO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276825592 1225502242 /nfs/dbraw/zinc/50/22/42/1225502242.db2.gz VTVKEDWGBFDPDL-QRVBRYPASA-N 1 3 366.550 0.706 20 0 FCADHO CC(C)[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276825592 1225502245 /nfs/dbraw/zinc/50/22/45/1225502245.db2.gz VTVKEDWGBFDPDL-QRVBRYPASA-N 1 3 366.550 0.706 20 0 FCADHO COCCCC[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276370378 1214159743 /nfs/dbraw/zinc/15/97/43/1214159743.db2.gz ZGQNZAHRNLIQFF-FQEVSTJZSA-N 1 3 366.550 0.975 20 0 FCADHO COCCCC[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276370378 1214159747 /nfs/dbraw/zinc/15/97/47/1214159747.db2.gz ZGQNZAHRNLIQFF-FQEVSTJZSA-N 1 3 366.550 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961665528 1214261867 /nfs/dbraw/zinc/26/18/67/1214261867.db2.gz WRTQGSWHMSUMQD-IGKNDFSCSA-N 1 3 362.518 0.585 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)CC[N@H+]1C ZINC000961665528 1214261869 /nfs/dbraw/zinc/26/18/69/1214261869.db2.gz WRTQGSWHMSUMQD-IGKNDFSCSA-N 1 3 362.518 0.585 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039867296 1214452215 /nfs/dbraw/zinc/45/22/15/1214452215.db2.gz GOSPVLUYXYKXQU-CLCXKQKWSA-N 1 3 368.522 0.137 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039867296 1214452222 /nfs/dbraw/zinc/45/22/22/1214452222.db2.gz GOSPVLUYXYKXQU-CLCXKQKWSA-N 1 3 368.522 0.137 20 0 FCADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001040450362 1214510942 /nfs/dbraw/zinc/51/09/42/1214510942.db2.gz PGMRKKNQPNGNDO-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001040450362 1214510943 /nfs/dbraw/zinc/51/09/43/1214510943.db2.gz PGMRKKNQPNGNDO-FCEWJHQRSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001040707774 1214570763 /nfs/dbraw/zinc/57/07/63/1214570763.db2.gz IFOGDTLWLGIOLD-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001040707774 1214570770 /nfs/dbraw/zinc/57/07/70/1214570770.db2.gz IFOGDTLWLGIOLD-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042574 1225588001 /nfs/dbraw/zinc/58/80/01/1225588001.db2.gz GLHUUEJFTAKNQI-CEXWTWQISA-N 1 3 361.486 0.902 20 0 FCADHO CCN(CC)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967946 1215930179 /nfs/dbraw/zinc/93/01/79/1215930179.db2.gz WHDVKSNVUAISGL-MDZRGWNJSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967946 1215930184 /nfs/dbraw/zinc/93/01/84/1215930184.db2.gz WHDVKSNVUAISGL-MDZRGWNJSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001000700428 1216107864 /nfs/dbraw/zinc/10/78/64/1216107864.db2.gz QFMIQFPGQMKFBJ-BPQIPLTHSA-N 1 3 361.490 0.333 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001000700428 1216107868 /nfs/dbraw/zinc/10/78/68/1216107868.db2.gz QFMIQFPGQMKFBJ-BPQIPLTHSA-N 1 3 361.490 0.333 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1C ZINC001057883709 1216599439 /nfs/dbraw/zinc/59/94/39/1216599439.db2.gz SRMWRANYFWTDBN-BBWFWOEESA-N 1 3 370.538 0.240 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1C ZINC001057883709 1216599443 /nfs/dbraw/zinc/59/94/43/1216599443.db2.gz SRMWRANYFWTDBN-BBWFWOEESA-N 1 3 370.538 0.240 20 0 FCADHO CC(C)N(C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068406508 1216733153 /nfs/dbraw/zinc/73/31/53/1216733153.db2.gz WCAQCJAQYFIVJU-HZPDHXFCSA-N 1 3 366.506 0.107 20 0 FCADHO CC(C)N(C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068406508 1216733159 /nfs/dbraw/zinc/73/31/59/1216733159.db2.gz WCAQCJAQYFIVJU-HZPDHXFCSA-N 1 3 366.506 0.107 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1=O ZINC001095962777 1217780958 /nfs/dbraw/zinc/78/09/58/1217780958.db2.gz FJQNLBYFACBFOH-SQNIBIBYSA-N 1 3 358.486 0.949 20 0 FCADHO CC(C)N1CC[NH+](CCCC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000900685609 1218024525 /nfs/dbraw/zinc/02/45/25/1218024525.db2.gz GIWXOXGSFADPOM-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CCOC(=O)[C@H]1CCCN(CC(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000900701086 1218028171 /nfs/dbraw/zinc/02/81/71/1218028171.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 1 3 368.522 0.405 20 0 FCADHO CCOC(=O)[C@H]1CCCN(CC(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000900701086 1218028174 /nfs/dbraw/zinc/02/81/74/1218028174.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 1 3 368.522 0.405 20 0 FCADHO CCOC(=O)[C@H]1CCCN(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)C1 ZINC000900701086 1218028177 /nfs/dbraw/zinc/02/81/77/1218028177.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 1 3 368.522 0.405 20 0 FCADHO CCOC(=O)[C@H]1CCCN(CC(=O)NCCC[N@H+]2CCCN(C)CC2)C1 ZINC000900701086 1218028181 /nfs/dbraw/zinc/02/81/81/1218028181.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 1 3 368.522 0.405 20 0 FCADHO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CCN1C ZINC000900804849 1218039075 /nfs/dbraw/zinc/03/90/75/1218039075.db2.gz NRFRMPXJXLYPJJ-QUCCMNQESA-N 1 3 373.545 0.949 20 0 FCADHO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CN(C)CCN1C ZINC000900804851 1218039561 /nfs/dbraw/zinc/03/95/61/1218039561.db2.gz NRFRMPXJXLYPJJ-UYAOXDASSA-N 1 3 373.545 0.949 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226824099 1225855119 /nfs/dbraw/zinc/85/51/19/1225855119.db2.gz KNEUAJJIRFJJDZ-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226890804 1225856903 /nfs/dbraw/zinc/85/69/03/1225856903.db2.gz OSXALJDPHVGYAJ-RBSFLKMASA-N 1 3 367.494 0.333 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226890804 1225856906 /nfs/dbraw/zinc/85/69/06/1225856906.db2.gz OSXALJDPHVGYAJ-RBSFLKMASA-N 1 3 367.494 0.333 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000804058933 1219111631 /nfs/dbraw/zinc/11/16/31/1219111631.db2.gz GYWYMNXUQWIJDH-IXDOHACOSA-N 1 3 366.506 0.347 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804059676 1219113761 /nfs/dbraw/zinc/11/37/61/1219113761.db2.gz JRSASMHRRDQKBL-HOTGVXAUSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804059676 1219113762 /nfs/dbraw/zinc/11/37/62/1219113762.db2.gz JRSASMHRRDQKBL-HOTGVXAUSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804059678 1219113844 /nfs/dbraw/zinc/11/38/44/1219113844.db2.gz JRSASMHRRDQKBL-JKSUJKDBSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804059678 1219113849 /nfs/dbraw/zinc/11/38/49/1219113849.db2.gz JRSASMHRRDQKBL-JKSUJKDBSA-N 1 3 366.506 0.299 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000804059712 1219115221 /nfs/dbraw/zinc/11/52/21/1219115221.db2.gz JYZBCFNQMOUFFB-GVDBMIGSSA-N 1 3 364.490 0.053 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070217898 1219300107 /nfs/dbraw/zinc/30/01/07/1219300107.db2.gz XQCMZNDMMZFHRK-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070284376 1219348151 /nfs/dbraw/zinc/34/81/51/1219348151.db2.gz AFSQEYFACPPBRK-OAGGEKHMSA-N 1 3 359.434 0.155 20 0 FCADHO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)N(CCO)C1 ZINC001070596684 1219481776 /nfs/dbraw/zinc/48/17/76/1219481776.db2.gz UEVXWEHEEUVONF-FXUDXRNXSA-N 1 3 365.478 0.243 20 0 FCADHO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)N(CCO)C1 ZINC001070596684 1219481779 /nfs/dbraw/zinc/48/17/79/1219481779.db2.gz UEVXWEHEEUVONF-FXUDXRNXSA-N 1 3 365.478 0.243 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719270 1219541426 /nfs/dbraw/zinc/54/14/26/1219541426.db2.gz WPBUUAWAZDXXAZ-GVDBMIGSSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2cncn2C)cn1 ZINC001070719270 1219541429 /nfs/dbraw/zinc/54/14/29/1219541429.db2.gz WPBUUAWAZDXXAZ-GVDBMIGSSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)[C@H](C2CC2)[NH+](C)C)C3)nn1 ZINC001099446044 1219999053 /nfs/dbraw/zinc/99/90/53/1219999053.db2.gz HQYXEWRJBUFDCY-IEZWGBDMSA-N 1 3 360.506 0.874 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1)N(C)C ZINC001101365759 1220304333 /nfs/dbraw/zinc/30/43/33/1220304333.db2.gz IHFMDVWVUHUVPD-GJYPPUQNSA-N 1 3 367.538 0.815 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1)N(C)C ZINC001101365759 1220304336 /nfs/dbraw/zinc/30/43/36/1220304336.db2.gz IHFMDVWVUHUVPD-GJYPPUQNSA-N 1 3 367.538 0.815 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440505 1220346986 /nfs/dbraw/zinc/34/69/86/1220346986.db2.gz OLNGVRWBASJZCO-LMMKCTJWSA-N 1 3 363.506 0.366 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440505 1220346990 /nfs/dbraw/zinc/34/69/90/1220346990.db2.gz OLNGVRWBASJZCO-LMMKCTJWSA-N 1 3 363.506 0.366 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443495 1220347841 /nfs/dbraw/zinc/34/78/41/1220347841.db2.gz HSPHNODFJKIICU-AOIWGVFYSA-N 1 3 371.522 0.132 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443495 1220347850 /nfs/dbraw/zinc/34/78/50/1220347850.db2.gz HSPHNODFJKIICU-AOIWGVFYSA-N 1 3 371.522 0.132 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476121 1220366926 /nfs/dbraw/zinc/36/69/26/1220366926.db2.gz CTBRDUUNEZJJGK-LMMKCTJWSA-N 1 3 363.506 0.365 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101476121 1220366929 /nfs/dbraw/zinc/36/69/29/1220366929.db2.gz CTBRDUUNEZJJGK-LMMKCTJWSA-N 1 3 363.506 0.365 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071563 1220485876 /nfs/dbraw/zinc/48/58/76/1220485876.db2.gz OTFVKMCERCJEJS-NXHRZFHOSA-N 1 3 370.538 0.409 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071563 1220485882 /nfs/dbraw/zinc/48/58/82/1220485882.db2.gz OTFVKMCERCJEJS-NXHRZFHOSA-N 1 3 370.538 0.409 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101097 1220496289 /nfs/dbraw/zinc/49/62/89/1220496289.db2.gz MSNALELEEDFEOF-MGPQQGTHSA-N 1 3 369.510 0.245 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101097 1220496302 /nfs/dbraw/zinc/49/63/02/1220496302.db2.gz MSNALELEEDFEOF-MGPQQGTHSA-N 1 3 369.510 0.245 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369660 1220597300 /nfs/dbraw/zinc/59/73/00/1220597300.db2.gz BWSAJFPAPOCIMJ-JFIYKMOQSA-N 1 3 360.502 0.911 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)C1 ZINC001102369660 1220597306 /nfs/dbraw/zinc/59/73/06/1220597306.db2.gz BWSAJFPAPOCIMJ-JFIYKMOQSA-N 1 3 360.502 0.911 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001229229511 1225991197 /nfs/dbraw/zinc/99/11/97/1225991197.db2.gz BBDYMZJBKKQEGP-BRWVUGGUSA-N 1 3 368.522 0.640 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087419 1220830986 /nfs/dbraw/zinc/83/09/86/1220830986.db2.gz GZOSNBJWCZXDSM-OIISXLGYSA-N 1 3 365.522 0.426 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087419 1220830988 /nfs/dbraw/zinc/83/09/88/1220830988.db2.gz GZOSNBJWCZXDSM-OIISXLGYSA-N 1 3 365.522 0.426 20 0 FCADHO CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249419 1220856522 /nfs/dbraw/zinc/85/65/22/1220856522.db2.gz HFVIXBVOWJCMKZ-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249419 1220856525 /nfs/dbraw/zinc/85/65/25/1220856525.db2.gz HFVIXBVOWJCMKZ-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434010 1220882322 /nfs/dbraw/zinc/88/23/22/1220882322.db2.gz QWPXLIMMYCHSES-IXDOHACOSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434010 1220882326 /nfs/dbraw/zinc/88/23/26/1220882326.db2.gz QWPXLIMMYCHSES-IXDOHACOSA-N 1 3 365.522 0.570 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103630522 1220920726 /nfs/dbraw/zinc/92/07/26/1220920726.db2.gz UUKRZWQOPSJCEP-CRAIPNDOSA-N 1 3 364.534 0.929 20 0 FCADHO O=C1N[C@H]2CCN(C/C=C/C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179336 1221304431 /nfs/dbraw/zinc/30/44/31/1221304431.db2.gz IMCFPHCXMLWFJP-ACUIUQEKSA-N 1 3 364.446 0.403 20 0 FCADHO O=C1N[C@H]2CCN(C/C=C/C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)C[C@@H]2CO1 ZINC000799179336 1221304438 /nfs/dbraw/zinc/30/44/38/1221304438.db2.gz IMCFPHCXMLWFJP-ACUIUQEKSA-N 1 3 364.446 0.403 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001229853497 1226036748 /nfs/dbraw/zinc/03/67/48/1226036748.db2.gz UEGKRIOOGYGDNM-IAGOWNOFSA-N 1 3 370.538 0.888 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001229853497 1226036751 /nfs/dbraw/zinc/03/67/51/1226036751.db2.gz UEGKRIOOGYGDNM-IAGOWNOFSA-N 1 3 370.538 0.888 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001230284570 1226071353 /nfs/dbraw/zinc/07/13/53/1226071353.db2.gz LJJLRYKNGPHUOI-BRWVUGGUSA-N 1 3 368.522 0.639 20 0 FCADHO C(N1CC[C@@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913799 1221998876 /nfs/dbraw/zinc/99/88/76/1221998876.db2.gz UHGZCKZVYTWZHN-HZPDHXFCSA-N 1 3 368.474 0.393 20 0 FCADHO C(N1CC[C@@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@@H](C3OCCO3)C2)COC1 ZINC001119913799 1221998878 /nfs/dbraw/zinc/99/88/78/1221998878.db2.gz UHGZCKZVYTWZHN-HZPDHXFCSA-N 1 3 368.474 0.393 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120643230 1222110921 /nfs/dbraw/zinc/11/09/21/1222110921.db2.gz YRUYGQPDGAGGGY-GVDBMIGSSA-N 1 3 366.506 0.386 20 0 FCADHO CC(C)CN1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001120702532 1222115377 /nfs/dbraw/zinc/11/53/77/1222115377.db2.gz FOFVKEPXFZOGOD-INIZCTEOSA-N 1 3 364.494 0.620 20 0 FCADHO O=C(N[C@@H]1CN2CCC1CC2)[C@@H]1CCC[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001120774396 1222120141 /nfs/dbraw/zinc/12/01/41/1222120141.db2.gz OMPLQWNNQHZWTO-NCXUSEDFSA-N 1 3 374.529 0.824 20 0 FCADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122079917 1222239406 /nfs/dbraw/zinc/23/94/06/1222239406.db2.gz UKPPVKGFVVHMPM-OTWHNJEPSA-N 1 3 355.438 0.584 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302255 1222677266 /nfs/dbraw/zinc/67/72/66/1222677266.db2.gz OKINPPJLVGADEY-IAGOWNOFSA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000838302255 1222677269 /nfs/dbraw/zinc/67/72/69/1222677269.db2.gz OKINPPJLVGADEY-IAGOWNOFSA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000841206774 1222813893 /nfs/dbraw/zinc/81/38/93/1222813893.db2.gz CSXRZKZXOPIJGB-JKSUJKDBSA-N 1 3 373.501 0.963 20 0 FCADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000842011497 1222832492 /nfs/dbraw/zinc/83/24/92/1222832492.db2.gz PEAAMAAHRIXLOT-HKUYNNGSSA-N 1 3 362.474 0.253 20 0 FCADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000842011497 1222832493 /nfs/dbraw/zinc/83/24/93/1222832493.db2.gz PEAAMAAHRIXLOT-HKUYNNGSSA-N 1 3 362.474 0.253 20 0 FCADHO Cc1nc(N)ccc1CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277693568 1226159824 /nfs/dbraw/zinc/15/98/24/1226159824.db2.gz BFTZHYNVWPFGPS-IBGZPJMESA-N 1 3 359.474 0.875 20 0 FCADHO CN(C)C1(CNc2cc(N3CCC[C@H]3C(N)=O)ncn2)CC[NH+](C)CC1 ZINC001156188292 1223051111 /nfs/dbraw/zinc/05/11/11/1223051111.db2.gz UOCHFFNGCSTWIT-AWEZNQCLSA-N 1 3 361.494 0.369 20 0 FCADHO CN(C)C1(CNc2cc(N3CCC[C@@H]3C(N)=O)ncn2)CC[NH+](C)CC1 ZINC001156188293 1223051472 /nfs/dbraw/zinc/05/14/72/1223051472.db2.gz UOCHFFNGCSTWIT-CQSZACIVSA-N 1 3 361.494 0.369 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2cnccc2C1 ZINC001157568768 1223079012 /nfs/dbraw/zinc/07/90/12/1223079012.db2.gz VEHZDFFWMKJXCJ-IRXDYDNUSA-N 1 3 359.474 0.414 20 0 FCADHO CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(C)([NH3+])C1 ZINC001157644801 1223079925 /nfs/dbraw/zinc/07/99/25/1223079925.db2.gz ZRYZXJXYFVQVOL-OAHLLOKOSA-N 1 3 357.458 0.492 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720870 1223080898 /nfs/dbraw/zinc/08/08/98/1223080898.db2.gz QRNIOXRPCCPWNF-QFBILLFUSA-N 1 3 371.485 0.561 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001157720628 1223081265 /nfs/dbraw/zinc/08/12/65/1223081265.db2.gz NBJMZRSNKXFYEU-QGZVFWFLSA-N 1 3 360.458 0.310 20 0 FCADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001157842085 1223083015 /nfs/dbraw/zinc/08/30/15/1223083015.db2.gz IYWNJXPJAXEWCS-OAGGEKHMSA-N 1 3 361.490 0.895 20 0 FCADHO CN[C@@H](CO)C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158138247 1223089778 /nfs/dbraw/zinc/08/97/78/1223089778.db2.gz PUEMOKBKQORCKF-ROUUACIJSA-N 1 3 361.486 0.897 20 0 FCADHO Cn1ccc(CNCCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001158282458 1223094093 /nfs/dbraw/zinc/09/40/93/1223094093.db2.gz ROPZPZHJQRZAIS-MSOLQXFVSA-N 1 3 363.506 0.763 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001158498257 1223100911 /nfs/dbraw/zinc/10/09/11/1223100911.db2.gz NHQQKXRPUQQLNR-XLAORIBOSA-N 1 3 357.454 0.843 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158871848 1223111672 /nfs/dbraw/zinc/11/16/72/1223111672.db2.gz VVGRCENTOHLSLA-AWEZNQCLSA-N 1 3 373.461 0.093 20 0 FCADHO CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001158957898 1223113262 /nfs/dbraw/zinc/11/32/62/1223113262.db2.gz AYIMSWHJWXNUMW-HNNXBMFYSA-N 1 3 363.462 0.367 20 0 FCADHO O=C(N1Cc2cncn2C[C@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159192190 1223120041 /nfs/dbraw/zinc/12/00/41/1223120041.db2.gz OKNKYXQEXRPCRD-MBOZVWFJSA-N 1 3 373.501 0.467 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159584109 1223130261 /nfs/dbraw/zinc/13/02/61/1223130261.db2.gz GNLGNOQJUZWMBP-JKSUJKDBSA-N 1 3 359.474 0.077 20 0 FCADHO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@H](N)C4CC[NH2+]CC4)C[C@@H]32)C1=O ZINC001159687934 1223134001 /nfs/dbraw/zinc/13/40/01/1223134001.db2.gz LWOLSOLHCZFBJA-YYAJDYIMSA-N 1 3 361.490 0.201 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159698326 1223134648 /nfs/dbraw/zinc/13/46/48/1223134648.db2.gz LRKGKLBWLAZXKC-IRXDYDNUSA-N 1 3 368.481 0.318 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159722943 1223135195 /nfs/dbraw/zinc/13/51/95/1223135195.db2.gz NIDNEQHPUFILSC-KBPBESRZSA-N 1 3 371.445 0.263 20 0 FCADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]([NH3+])CC(F)F)C3)O2)CC1 ZINC001159759119 1223135617 /nfs/dbraw/zinc/13/56/17/1223135617.db2.gz YDERCVFSEQMAIW-RVKKMQEKSA-N 1 3 374.476 0.757 20 0 FCADHO CN1Cc2ccccc2CC2(CCN(C(=O)[C@H](N)CCC[NH3+])CC2)C1=O ZINC001159790624 1223136638 /nfs/dbraw/zinc/13/66/38/1223136638.db2.gz IVSGSEPNWHZSPX-QGZVFWFLSA-N 1 3 358.486 0.876 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819151 1223137098 /nfs/dbraw/zinc/13/70/98/1223137098.db2.gz UTHRVQCRNOUZNP-ZBFHGGJFSA-N 1 3 366.506 0.509 20 0 FCADHO O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]21 ZINC001160119098 1223146111 /nfs/dbraw/zinc/14/61/11/1223146111.db2.gz CAFFEZBFPZCVOF-HRCADAONSA-N 1 3 372.469 0.827 20 0 FCADHO O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]21 ZINC001160119098 1223146114 /nfs/dbraw/zinc/14/61/14/1223146114.db2.gz CAFFEZBFPZCVOF-HRCADAONSA-N 1 3 372.469 0.827 20 0 FCADHO O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001160203513 1223149438 /nfs/dbraw/zinc/14/94/38/1223149438.db2.gz WPKZHEOAWNNAEQ-SJORKVTESA-N 1 3 374.529 0.731 20 0 FCADHO COCCO[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160325561 1223155078 /nfs/dbraw/zinc/15/50/78/1223155078.db2.gz MFEHGTSDWWTBTL-ULQDDVLXSA-N 1 3 367.494 0.051 20 0 FCADHO C[C@]1(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)CC[NH2+]C1 ZINC001160408921 1223157732 /nfs/dbraw/zinc/15/77/32/1223157732.db2.gz WKPIKZZEMFAXGK-SFHVURJKSA-N 1 3 355.446 0.699 20 0 FCADHO O=C([C@@H]1C[C@@H](F)CCN1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160405103 1223157888 /nfs/dbraw/zinc/15/78/88/1223157888.db2.gz FRDXSYUCHZENNH-KBPBESRZSA-N 1 3 373.436 0.790 20 0 FCADHO CCOC(=O)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@H]1c1ccccc1 ZINC001160765588 1223172090 /nfs/dbraw/zinc/17/20/90/1223172090.db2.gz BFEAPDFGIURFCN-OKZBNKHCSA-N 1 3 371.481 0.991 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](NC)[C@@H](C)OC(C)(C)C)C[C@H]1C[NH2+]CC2 ZINC001160811376 1223174745 /nfs/dbraw/zinc/17/47/45/1223174745.db2.gz OOWDCHCXNYATMQ-BKEDOTJMSA-N 1 3 369.506 0.779 20 0 FCADHO COc1cccnc1N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160846821 1223177539 /nfs/dbraw/zinc/17/75/39/1223177539.db2.gz OMNDAYMMPYBNPW-OAHLLOKOSA-N 1 3 359.474 0.613 20 0 FCADHO COc1cccnc1N1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160846821 1223177543 /nfs/dbraw/zinc/17/75/43/1223177543.db2.gz OMNDAYMMPYBNPW-OAHLLOKOSA-N 1 3 359.474 0.613 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160906146 1223180324 /nfs/dbraw/zinc/18/03/24/1223180324.db2.gz ZWYHSHUKZVTAAF-HNNXBMFYSA-N 1 3 358.446 0.411 20 0 FCADHO [NH3+]CCc1cn(-c2ncccc2C(=O)N2CCNCC2)c2ccncc12 ZINC001160950632 1223181939 /nfs/dbraw/zinc/18/19/39/1223181939.db2.gz ORVAFAWXMYTILU-UHFFFAOYSA-N 1 3 350.426 0.967 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001161039350 1223184177 /nfs/dbraw/zinc/18/41/77/1223184177.db2.gz RWPGJSHCLMDJFT-OAHLLOKOSA-N 1 3 373.428 0.961 20 0 FCADHO COc1cnc(O[C@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C2)nc1 ZINC001161299532 1223194565 /nfs/dbraw/zinc/19/45/65/1223194565.db2.gz WRDWFRVGAPXVEY-DZGCQCFKSA-N 1 3 361.446 0.339 20 0 FCADHO COc1cnc(O[C@H]2CCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C2)nc1 ZINC001161299532 1223194570 /nfs/dbraw/zinc/19/45/70/1223194570.db2.gz WRDWFRVGAPXVEY-DZGCQCFKSA-N 1 3 361.446 0.339 20 0 FCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321534 1223196131 /nfs/dbraw/zinc/19/61/31/1223196131.db2.gz JEAYOGODDHGRPM-ZOBUZTSGSA-N 1 3 368.522 0.754 20 0 FCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001161379814 1223196925 /nfs/dbraw/zinc/19/69/25/1223196925.db2.gz QRKAZNAHPZWTER-HKUYNNGSSA-N 1 3 360.502 0.979 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001162536993 1223218026 /nfs/dbraw/zinc/21/80/26/1223218026.db2.gz CZCQDQNXVHTTJV-AWEZNQCLSA-N 1 3 369.425 0.658 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1ccc(C[C@@H](C[NH3+])C(=O)OC)cc1 ZINC001162537034 1223218264 /nfs/dbraw/zinc/21/82/64/1223218264.db2.gz MQCFQEKZUCOEJI-ZDUSSCGKSA-N 1 3 360.414 0.798 20 0 FCADHO CN1CCC(NC(=O)c2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316128 1223229060 /nfs/dbraw/zinc/22/90/60/1223229060.db2.gz OPPZGNGERFEVNT-HNAYVOBHSA-N 1 3 374.489 0.624 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC(N)=O)C1 ZINC001205318928 1223320149 /nfs/dbraw/zinc/32/01/49/1223320149.db2.gz VNUJQNURYYEYIR-DLBZAZTESA-N 1 3 364.465 0.927 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC(N)=O)C1 ZINC001205318928 1223320152 /nfs/dbraw/zinc/32/01/52/1223320152.db2.gz VNUJQNURYYEYIR-DLBZAZTESA-N 1 3 364.465 0.927 20 0 FCADHO Cc1ncc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1C ZINC001206793106 1223370267 /nfs/dbraw/zinc/37/02/67/1223370267.db2.gz QCNTUQXBDFICCA-UHFFFAOYSA-N 1 3 362.522 0.399 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2CN(CC3CC[NH+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001207398166 1223443215 /nfs/dbraw/zinc/44/32/15/1223443215.db2.gz YQEQQYQOJMOAEZ-KZNAEPCWSA-N 1 3 361.490 0.724 20 0 FCADHO COc1ccc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)nc1 ZINC001276542880 1223462989 /nfs/dbraw/zinc/46/29/89/1223462989.db2.gz HDITUEWJWOCUHH-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(C[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612183 1223564173 /nfs/dbraw/zinc/56/41/73/1223564173.db2.gz GJHHAKTZHWLIOK-OALUTQOASA-N 1 3 360.550 0.904 20 0 FCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(C[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612183 1223564174 /nfs/dbraw/zinc/56/41/74/1223564174.db2.gz GJHHAKTZHWLIOK-OALUTQOASA-N 1 3 360.550 0.904 20 0 FCADHO CO[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342127 1223788188 /nfs/dbraw/zinc/78/81/88/1223788188.db2.gz IAPGLJMKXCQHFD-BZUAXINKSA-N 1 3 366.506 0.060 20 0 FCADHO CO[C@@H]1CN(CCCCCn2cncn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346675 1223789001 /nfs/dbraw/zinc/78/90/01/1223789001.db2.gz XZKMACPTXUKAKN-IAGOWNOFSA-N 1 3 366.510 0.606 20 0 FCADHO CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC001213863176 1223864186 /nfs/dbraw/zinc/86/41/86/1223864186.db2.gz GMXQYXLYSIHMAA-KBAYOESNSA-N 1 3 369.506 0.197 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC001213863176 1223864187 /nfs/dbraw/zinc/86/41/87/1223864187.db2.gz GMXQYXLYSIHMAA-KBAYOESNSA-N 1 3 369.506 0.197 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001214665956 1223930516 /nfs/dbraw/zinc/93/05/16/1223930516.db2.gz NUKJKZYUJVRXRZ-YYIAUSFCSA-N 1 3 368.522 0.306 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001214665956 1223930517 /nfs/dbraw/zinc/93/05/17/1223930517.db2.gz NUKJKZYUJVRXRZ-YYIAUSFCSA-N 1 3 368.522 0.306 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001214757228 1223939420 /nfs/dbraw/zinc/93/94/20/1223939420.db2.gz FJFCPKXDQGAZCJ-HYVNUMGLSA-N 1 3 370.513 0.971 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001214780222 1223941819 /nfs/dbraw/zinc/94/18/19/1223941819.db2.gz PWWPYTGPQVNIKU-ZACQAIPSSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001214780222 1223941822 /nfs/dbraw/zinc/94/18/22/1223941822.db2.gz PWWPYTGPQVNIKU-ZACQAIPSSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001214863438 1223949125 /nfs/dbraw/zinc/94/91/25/1223949125.db2.gz NRYIHCGUDVKIKO-BFYDXBDKSA-N 1 3 366.506 0.060 20 0 FCADHO CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215185116 1223980821 /nfs/dbraw/zinc/98/08/21/1223980821.db2.gz ZELUTDMVHPDKCN-QUJXQBBWSA-N 1 3 365.518 0.959 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001215416224 1223998299 /nfs/dbraw/zinc/99/82/99/1223998299.db2.gz QAIITVPCBGWNCN-BZUAXINKSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001215453535 1223999816 /nfs/dbraw/zinc/99/98/16/1223999816.db2.gz HCEBZPFTKVEQQE-RHSMWYFYSA-N 1 3 362.474 0.674 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001215461045 1224000637 /nfs/dbraw/zinc/00/06/37/1224000637.db2.gz PBNWOPZAKQAADL-HZSPNIEDSA-N 1 3 369.510 0.387 20 0 FCADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1)C(C)C ZINC001215977148 1224028299 /nfs/dbraw/zinc/02/82/99/1224028299.db2.gz HTNKYRUMMAGZRE-FMKPAKJESA-N 1 3 369.510 0.245 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001215989983 1224028841 /nfs/dbraw/zinc/02/88/41/1224028841.db2.gz PXRAMGAAZNSGSI-RBSFLKMASA-N 1 3 369.510 0.387 20 0 FCADHO CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215990046 1224028946 /nfs/dbraw/zinc/02/89/46/1224028946.db2.gz RNJCBNDYTDFPOG-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCCC[C@@H]1C ZINC001216402001 1224048702 /nfs/dbraw/zinc/04/87/02/1224048702.db2.gz RPWMIPZHXZBDKL-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410174 1224048962 /nfs/dbraw/zinc/04/89/62/1224048962.db2.gz RZEYTXBFVXXCBN-OWCLPIDISA-N 1 3 366.506 0.060 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463781 1224052390 /nfs/dbraw/zinc/05/23/90/1224052390.db2.gz IQOZRJUTWWBYGC-QLFBSQMISA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001216463317 1224052440 /nfs/dbraw/zinc/05/24/40/1224052440.db2.gz DLOJZSBNABPVTC-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001216507501 1224053603 /nfs/dbraw/zinc/05/36/03/1224053603.db2.gz YGBPJLJHYBNSPB-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001216507501 1224053606 /nfs/dbraw/zinc/05/36/06/1224053606.db2.gz YGBPJLJHYBNSPB-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216514578 1224053612 /nfs/dbraw/zinc/05/36/12/1224053612.db2.gz JSYFDPXJUQHKLU-JFIYKMOQSA-N 1 3 371.522 0.321 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1 ZINC001216511154 1224053866 /nfs/dbraw/zinc/05/38/66/1224053866.db2.gz KKZMGNVMYQHUAB-HUUCEWRRSA-N 1 3 369.510 0.247 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752433 1224068505 /nfs/dbraw/zinc/06/85/05/1224068505.db2.gz OMPMEPFODAMRJQ-VHDGCEQUSA-N 1 3 362.478 0.055 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n(C)n1 ZINC001216752433 1224068508 /nfs/dbraw/zinc/06/85/08/1224068508.db2.gz OMPMEPFODAMRJQ-VHDGCEQUSA-N 1 3 362.478 0.055 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772986 1224071152 /nfs/dbraw/zinc/07/11/52/1224071152.db2.gz SZPGYOABRSNVDB-HUUCEWRRSA-N 1 3 367.494 0.145 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994027919 1250153033 /nfs/dbraw/zinc/15/30/33/1250153033.db2.gz AXKJLORWIZHCED-BRWVUGGUSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994027919 1250153044 /nfs/dbraw/zinc/15/30/44/1250153044.db2.gz AXKJLORWIZHCED-BRWVUGGUSA-N 1 3 364.534 0.881 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848614828 1245375852 /nfs/dbraw/zinc/37/58/52/1245375852.db2.gz YGWNHYIWPILXFR-ROUUACIJSA-N 1 3 358.486 0.937 20 0 FCADHO [NH2+]=C(NCCN1C(=O)CNC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000849102014 1245392758 /nfs/dbraw/zinc/39/27/58/1245392758.db2.gz KQSWNBULEYNIDX-UHFFFAOYSA-N 1 3 358.446 0.317 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000891504649 1245451837 /nfs/dbraw/zinc/45/18/37/1245451837.db2.gz UDNCDQPIACXUFZ-IRXDYDNUSA-N 1 3 362.474 0.899 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516481 1245504323 /nfs/dbraw/zinc/50/43/23/1245504323.db2.gz KLOVFDMVFOFTBU-CGTJXYLNSA-N 1 3 374.485 0.297 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000911516472 1245504404 /nfs/dbraw/zinc/50/44/04/1245504404.db2.gz KJGNTADDJUQYKJ-BMGDILEWSA-N 1 3 356.470 0.672 20 0 FCADHO CN1CC[C@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000916759376 1245540300 /nfs/dbraw/zinc/54/03/00/1245540300.db2.gz LFXFALAZZPSXSN-INIZCTEOSA-N 1 3 361.494 0.382 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC000995307923 1250795523 /nfs/dbraw/zinc/79/55/23/1250795523.db2.gz RTYHGXZDGIGVDJ-ZSZQSSIHSA-N 1 3 359.474 0.791 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC000995307923 1250795538 /nfs/dbraw/zinc/79/55/38/1250795538.db2.gz RTYHGXZDGIGVDJ-ZSZQSSIHSA-N 1 3 359.474 0.791 20 0 FCADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC000998655425 1251942875 /nfs/dbraw/zinc/94/28/75/1251942875.db2.gz NBNJFSPHOGZQCT-LTIDMASMSA-N 1 3 360.502 0.671 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC001002789348 1252675262 /nfs/dbraw/zinc/67/52/62/1252675262.db2.gz DGMROEBKZWZCEM-MLHJIOFPSA-N 1 3 362.518 0.918 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001002789348 1252675269 /nfs/dbraw/zinc/67/52/69/1252675269.db2.gz DGMROEBKZWZCEM-MLHJIOFPSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001061655570 1254198854 /nfs/dbraw/zinc/19/88/54/1254198854.db2.gz RFXXFKCELOMUML-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001061655570 1254198858 /nfs/dbraw/zinc/19/88/58/1254198858.db2.gz RFXXFKCELOMUML-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065207983 1254491085 /nfs/dbraw/zinc/49/10/85/1254491085.db2.gz YFSBKMBPCLOPQG-OWCLPIDISA-N 1 3 368.522 0.401 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065207983 1254491098 /nfs/dbraw/zinc/49/10/98/1254491098.db2.gz YFSBKMBPCLOPQG-OWCLPIDISA-N 1 3 368.522 0.401 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018206 1255175286 /nfs/dbraw/zinc/17/52/86/1255175286.db2.gz SKOJPYXSQKBVHV-YSVLISHTSA-N 1 3 362.474 0.738 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018206 1255175289 /nfs/dbraw/zinc/17/52/89/1255175289.db2.gz SKOJPYXSQKBVHV-YSVLISHTSA-N 1 3 362.474 0.738 20 0 FCADHO COCC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259590 1255492760 /nfs/dbraw/zinc/49/27/60/1255492760.db2.gz IJAJYTHRCSGXQT-FGTMMUONSA-N 1 3 365.518 0.914 20 0 FCADHO CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080935212 1256103623 /nfs/dbraw/zinc/10/36/23/1256103623.db2.gz NNCKJLHLNYCYJU-FHLIZLRMSA-N 1 3 358.486 0.934 20 0 FCADHO CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080935212 1256103626 /nfs/dbraw/zinc/10/36/26/1256103626.db2.gz NNCKJLHLNYCYJU-FHLIZLRMSA-N 1 3 358.486 0.934 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001081173821 1256198705 /nfs/dbraw/zinc/19/87/05/1256198705.db2.gz OTFASIFYHCPQKE-IPMKNSEASA-N 1 3 370.497 0.801 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082515251 1256799405 /nfs/dbraw/zinc/79/94/05/1256799405.db2.gz GCFRPVNIGLQSID-KBAYOESNSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCc1cncn1C ZINC001082518042 1256804086 /nfs/dbraw/zinc/80/40/86/1256804086.db2.gz WOBGBWQZEUJCMZ-RHSMWYFYSA-N 1 3 359.478 0.429 20 0 FCADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@H]2C)nn1C ZINC001082923314 1257146591 /nfs/dbraw/zinc/14/65/91/1257146591.db2.gz DADOERFDAHPSMH-RVKKMQEKSA-N 1 3 363.506 0.633 20 0 FCADHO CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@H]2C)n1 ZINC001082923592 1257148392 /nfs/dbraw/zinc/14/83/92/1257148392.db2.gz RJQTVECDYJNAKL-JFIYKMOQSA-N 1 3 363.506 0.808 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083833732 1257587693 /nfs/dbraw/zinc/58/76/93/1257587693.db2.gz RQHFQBXRAFDDBU-QYZOEREBSA-N 1 3 367.534 0.821 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CC1 ZINC001084352215 1258044315 /nfs/dbraw/zinc/04/43/15/1258044315.db2.gz YLLRWCVOVALXMO-MKXGPGLRSA-N 1 3 365.518 0.648 20 0 FCADHO O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CCN(CCn3cncn3)C[C@H]21 ZINC001084488339 1258133248 /nfs/dbraw/zinc/13/32/48/1258133248.db2.gz YCANLUSWPUEPIG-NVXWUHKLSA-N 1 3 351.414 0.772 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1 ZINC001085204580 1258628986 /nfs/dbraw/zinc/62/89/86/1258628986.db2.gz YCWCWPKFYPEZPT-KONPQCLYSA-N 1 3 366.506 0.236 20 0 FCADHO CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105652365 1258921922 /nfs/dbraw/zinc/92/19/22/1258921922.db2.gz LJXDMPLJWIUKNI-VVWQDTPRSA-N 1 3 368.522 0.040 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC3CCC3)[C@H](C)C2)C1 ZINC001106666884 1258937135 /nfs/dbraw/zinc/93/71/35/1258937135.db2.gz YEIWEUPTZQKJKE-JFIYKMOQSA-N 1 3 364.534 0.929 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001107036157 1259022318 /nfs/dbraw/zinc/02/23/18/1259022318.db2.gz FXUGGFIYWQLUNS-ZACQAIPSSA-N 1 3 365.522 0.570 20 0 FCADHO COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042427 1259024441 /nfs/dbraw/zinc/02/44/41/1259024441.db2.gz MFVFOHKTPWXXBW-IXDOHACOSA-N 1 3 370.538 0.552 20 0 FCADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439042 1259087840 /nfs/dbraw/zinc/08/78/40/1259087840.db2.gz PAGKAMNSKRKPRJ-ZIFCJYIRSA-N 1 3 360.506 0.979 20 0 FCADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)C1CC1 ZINC001107439042 1259087845 /nfs/dbraw/zinc/08/78/45/1259087845.db2.gz PAGKAMNSKRKPRJ-ZIFCJYIRSA-N 1 3 360.506 0.979 20 0 FCADHO C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)CC1 ZINC001107521147 1259107576 /nfs/dbraw/zinc/10/75/76/1259107576.db2.gz OLWXAWMJSROUKZ-VQIMIIECSA-N 1 3 362.518 0.921 20 0 FCADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570750 1259180172 /nfs/dbraw/zinc/18/01/72/1259180172.db2.gz DYFARJBOPOQTNI-IKGGRYGDSA-N 1 3 366.506 0.060 20 0 FCADHO CN1CCC[C@H](NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570980 1259180500 /nfs/dbraw/zinc/18/05/00/1259180500.db2.gz IVQFGAYWSAZPEV-IKGGRYGDSA-N 1 3 366.506 0.060 20 0 FCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571651 1259181724 /nfs/dbraw/zinc/18/17/24/1259181724.db2.gz VYDGWWLHCQORTP-KYJSFNMBSA-N 1 3 368.522 0.354 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089640 1259309792 /nfs/dbraw/zinc/30/97/92/1259309792.db2.gz MNBHHYAAEUGORT-XHSDSOJGSA-N 1 3 364.494 0.386 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089640 1259309799 /nfs/dbraw/zinc/30/97/99/1259309799.db2.gz MNBHHYAAEUGORT-XHSDSOJGSA-N 1 3 364.494 0.386 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228313 1259349975 /nfs/dbraw/zinc/34/99/75/1259349975.db2.gz NFWBRGTVCWSEAX-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]1C2 ZINC001236025988 1259586905 /nfs/dbraw/zinc/58/69/05/1259586905.db2.gz HEDCFPAMRJQXNG-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]1C2 ZINC001236025988 1259586912 /nfs/dbraw/zinc/58/69/12/1259586912.db2.gz HEDCFPAMRJQXNG-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]1C2 ZINC001236025988 1259586921 /nfs/dbraw/zinc/58/69/21/1259586921.db2.gz HEDCFPAMRJQXNG-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]1C2 ZINC001236025988 1259586926 /nfs/dbraw/zinc/58/69/26/1259586926.db2.gz HEDCFPAMRJQXNG-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO COC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214917 1259622515 /nfs/dbraw/zinc/62/25/15/1259622515.db2.gz IQVZQWVIXNMALY-IRXDYDNUSA-N 1 3 374.485 0.944 20 0 FCADHO CCN1CCN(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384212 1259637002 /nfs/dbraw/zinc/63/70/02/1259637002.db2.gz LKNCIDHJTQBCLM-KRWDZBQOSA-N 1 3 355.504 0.351 20 0 FCADHO CCN1CCN([C@@H](C)C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384625 1259637291 /nfs/dbraw/zinc/63/72/91/1259637291.db2.gz PEJSOCPYJUTOIH-YJBOKZPZSA-N 1 3 369.531 0.739 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CNCC12CC2 ZINC001246129608 1259648758 /nfs/dbraw/zinc/64/87/58/1259648758.db2.gz GFHBCTGSQYDEKF-ZIAGYGMSSA-N 1 3 374.489 0.334 20 0 FCADHO CCOC(=O)CCC(CCC(=O)OCC)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001246512044 1259653682 /nfs/dbraw/zinc/65/36/82/1259653682.db2.gz LARKZMGUNCQUEU-HNNXBMFYSA-N 1 3 373.494 0.875 20 0 FCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246756946 1259682267 /nfs/dbraw/zinc/68/22/67/1259682267.db2.gz UDXOSUIARRYGFA-HTUJPFKRSA-N 1 3 358.534 0.845 20 0 FCADHO c1cnc(N2CCC[C@@]3(C2)CN([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756214 1259683042 /nfs/dbraw/zinc/68/30/42/1259683042.db2.gz MUQJVBUYKIKVMP-APWZRJJASA-N 1 3 358.490 0.242 20 0 FCADHO O=C1N(c2cncnc2)CC[C@@]12CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765382 1259684538 /nfs/dbraw/zinc/68/45/38/1259684538.db2.gz JMQLBAYIUXWIOH-MAUKXSAKSA-N 1 3 356.474 0.390 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1=O ZINC001335498706 1259687748 /nfs/dbraw/zinc/68/77/48/1259687748.db2.gz QWPFASLNGDGYOU-IAGOWNOFSA-N 1 3 353.438 0.628 20 0 FCADHO COCCOc1ccccc1N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001247003960 1259698242 /nfs/dbraw/zinc/69/82/42/1259698242.db2.gz NGSFGNLCFSPUTR-KRWDZBQOSA-N 1 3 360.502 0.928 20 0 FCADHO C[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001249265415 1259721839 /nfs/dbraw/zinc/72/18/39/1259721839.db2.gz IPTDYNYDKCPQRC-CYBMUJFWSA-N 1 3 358.446 0.447 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181596 1259825933 /nfs/dbraw/zinc/82/59/33/1259825933.db2.gz FVHUUDBINHIKSU-QZTJIDSGSA-N 1 3 365.518 0.816 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253188230 1259829625 /nfs/dbraw/zinc/82/96/25/1259829625.db2.gz SVDOIXKRDODLRQ-KURKYZTESA-N 1 3 359.470 0.806 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001253188230 1259829629 /nfs/dbraw/zinc/82/96/29/1259829629.db2.gz SVDOIXKRDODLRQ-KURKYZTESA-N 1 3 359.470 0.806 20 0 FCADHO CC1(C)CN(CC2(O)CC[NH+](Cc3ccccc3)CC2)CCN1CC(N)=O ZINC001254038619 1259868964 /nfs/dbraw/zinc/86/89/64/1259868964.db2.gz KVCVTSOFGPZPJO-UHFFFAOYSA-N 1 3 374.529 0.895 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN([C@@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254523395 1259890372 /nfs/dbraw/zinc/89/03/72/1259890372.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 1 3 366.550 0.973 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254523395 1259890379 /nfs/dbraw/zinc/89/03/79/1259890379.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 1 3 366.550 0.973 20 0 FCADHO CNC(=O)[C@H](CCCC[NH2+]C1CCC(N2CCOCC2)CC1)NC(C)=O ZINC001256687369 1259957376 /nfs/dbraw/zinc/95/73/76/1259957376.db2.gz TWCYOCSGBNDENI-ABHNRTSZSA-N 1 3 368.522 0.640 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862315 1259975728 /nfs/dbraw/zinc/97/57/28/1259975728.db2.gz CDKBGQGIZLRELZ-RTBURBONSA-N 1 3 372.513 0.972 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001256862315 1259975732 /nfs/dbraw/zinc/97/57/32/1259975732.db2.gz CDKBGQGIZLRELZ-RTBURBONSA-N 1 3 372.513 0.972 20 0 FCADHO CC[NH+]1CCC(CN2CC3(C2)CN(C(=O)c2cccc(=O)n2C)C3)CC1 ZINC001279498273 1260880336 /nfs/dbraw/zinc/88/03/36/1260880336.db2.gz BGZJGFRBDJQFNS-UHFFFAOYSA-N 1 3 358.486 0.875 20 0 FCADHO C[C@H]1C[C@H]1CN1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825485 1260939225 /nfs/dbraw/zinc/93/92/25/1260939225.db2.gz XRZRQRLMZCEEPO-ZFWWWQNUSA-N 1 3 361.494 0.981 20 0 FCADHO O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001280039918 1260982589 /nfs/dbraw/zinc/98/25/89/1260982589.db2.gz USGSOQADLXTVTP-KSZLIROESA-N 1 3 359.474 0.279 20 0 FCADHO O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CCn3ccnc3)C[C@@H]21 ZINC001280039920 1260983414 /nfs/dbraw/zinc/98/34/14/1260983414.db2.gz USGSOQADLXTVTP-SQNIBIBYSA-N 1 3 359.474 0.279 20 0 FCADHO C[C@H](NC(=O)C1=NO[C@@H]2CN(CC3CC[NH+](C)CC3)C[C@H]12)c1ncc[nH]1 ZINC001280125508 1261010592 /nfs/dbraw/zinc/01/05/92/1261010592.db2.gz KXZSJURLBVVGRW-AEGPPILISA-N 1 3 360.462 0.615 20 0 FCADHO CN1CCC[C@H](C[N@@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259443 1261043414 /nfs/dbraw/zinc/04/34/14/1261043414.db2.gz ONGARQPFRRNBLN-IDCNUPLLSA-N 1 3 361.490 0.847 20 0 FCADHO CN1CCC[C@H](C[N@H+]2C[C@H]3C[C@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259443 1261043415 /nfs/dbraw/zinc/04/34/15/1261043415.db2.gz ONGARQPFRRNBLN-IDCNUPLLSA-N 1 3 361.490 0.847 20 0 FCADHO C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3CN(Cc4cnc[nH]4)C[C@@H]3O2)CC1 ZINC001280341983 1261059414 /nfs/dbraw/zinc/05/94/14/1261059414.db2.gz SMGCYYATUIJRON-JLSDUUJJSA-N 1 3 361.490 0.942 20 0 FCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C)N(C)C ZINC001282392506 1261442863 /nfs/dbraw/zinc/44/28/63/1261442863.db2.gz DEPFYFHXTAESLJ-PVAVHDDUSA-N 1 3 368.522 0.543 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001345100683 1261635021 /nfs/dbraw/zinc/63/50/21/1261635021.db2.gz VCMJJPLAUHWATJ-INIZCTEOSA-N 1 3 358.442 0.804 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001345100683 1261635025 /nfs/dbraw/zinc/63/50/25/1261635025.db2.gz VCMJJPLAUHWATJ-INIZCTEOSA-N 1 3 358.442 0.804 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001479564604 1263255684 /nfs/dbraw/zinc/25/56/84/1263255684.db2.gz PAYJJGVETFHSLQ-HIFRSBDPSA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC[C@@H]3CCCO3)CCC2)CC[N@@H+]1C ZINC001484634342 1263481761 /nfs/dbraw/zinc/48/17/61/1263481761.db2.gz LMEODKROEIYCDZ-OWCLPIDISA-N 1 3 366.506 0.250 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC[C@@H]3CCCO3)CCC2)CC[N@H+]1C ZINC001484634342 1263481765 /nfs/dbraw/zinc/48/17/65/1263481765.db2.gz LMEODKROEIYCDZ-OWCLPIDISA-N 1 3 366.506 0.250 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632315 1263518708 /nfs/dbraw/zinc/51/87/08/1263518708.db2.gz SWEGPUOLZBTYMB-JQHSSLGASA-N 1 3 360.502 0.857 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632315 1263518712 /nfs/dbraw/zinc/51/87/12/1263518712.db2.gz SWEGPUOLZBTYMB-JQHSSLGASA-N 1 3 360.502 0.857 20 0 FCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580400594 1278226286 /nfs/dbraw/zinc/22/62/86/1278226286.db2.gz GMGZQCOZYOPCFB-VXGBXAGGSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580400594 1278226301 /nfs/dbraw/zinc/22/63/01/1278226301.db2.gz GMGZQCOZYOPCFB-VXGBXAGGSA-N 1 3 361.425 0.552 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1(C)C ZINC001322960089 1264302128 /nfs/dbraw/zinc/30/21/28/1264302128.db2.gz XOSVANBMYBJHSX-HZPDHXFCSA-N 1 3 367.538 0.118 20 0 FCADHO COC(=O)[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)COC1 ZINC001326571256 1265136971 /nfs/dbraw/zinc/13/69/71/1265136971.db2.gz FVJDTRDCLJYMND-WCVJEAGWSA-N 1 3 368.474 0.866 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC001333541642 1266625712 /nfs/dbraw/zinc/62/57/12/1266625712.db2.gz CXOLZEDAKPKWDR-UHFFFAOYSA-N 1 3 359.474 0.278 20 0 FCADHO NC1(CNC(=O)C(=O)N2CC[C@H]3C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001333550027 1266628045 /nfs/dbraw/zinc/62/80/45/1266628045.db2.gz UQVIERPAQSUIHF-ROUUACIJSA-N 1 3 370.497 0.965 20 0 FCADHO O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001524009210 1266675866 /nfs/dbraw/zinc/67/58/66/1266675866.db2.gz PQUFJFJTGWVUOB-IAGOWNOFSA-N 1 3 359.474 0.162 20 0 FCADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]([NH3+])[C@@H](n4ccnn4)C3)C2)cc1 ZINC001549756503 1267990028 /nfs/dbraw/zinc/99/00/28/1267990028.db2.gz SZYAJTMONUYUAI-BZSNNMDCSA-N 1 3 369.473 0.755 20 0 FCADHO CN1CCN([C@@H]2CC[N@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131051 1268077669 /nfs/dbraw/zinc/07/76/69/1268077669.db2.gz SFDWAQOYNZZEEC-RTWAWAEBSA-N 1 3 358.530 0.945 20 0 FCADHO CN1CCN([C@@H]2CC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131051 1268077680 /nfs/dbraw/zinc/07/76/80/1268077680.db2.gz SFDWAQOYNZZEEC-RTWAWAEBSA-N 1 3 358.530 0.945 20 0 FCADHO COCCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001339016640 1268150373 /nfs/dbraw/zinc/15/03/73/1268150373.db2.gz OSLQHHZXINFFMZ-GVDBMIGSSA-N 1 3 368.522 0.260 20 0 FCADHO COCCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001339016640 1268150378 /nfs/dbraw/zinc/15/03/78/1268150378.db2.gz OSLQHHZXINFFMZ-GVDBMIGSSA-N 1 3 368.522 0.260 20 0 FCADHO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCNC[C@H](O)C3)cc2)CC1 ZINC001550727596 1268156399 /nfs/dbraw/zinc/15/63/99/1268156399.db2.gz XCTIHYWDUSWUSZ-INIZCTEOSA-N 1 3 362.474 0.635 20 0 FCADHO CN1[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@H]2C[C@H]1CO ZINC001550745794 1268160088 /nfs/dbraw/zinc/16/00/88/1268160088.db2.gz UKSMAAIMJOBTIL-ZRSRNVLSSA-N 1 3 358.486 0.839 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)N(C)C1 ZINC001550762512 1268164834 /nfs/dbraw/zinc/16/48/34/1268164834.db2.gz POSYPHWMEAIJQA-BZUAXINKSA-N 1 3 354.495 0.506 20 0 FCADHO Cc1ccc(CNC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC001550912650 1268184419 /nfs/dbraw/zinc/18/44/19/1268184419.db2.gz JKLCELHCHCKZST-PXNSSMCTSA-N 1 3 358.486 0.848 20 0 FCADHO O=c1cc(CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc2ccccn12 ZINC001550914492 1268184425 /nfs/dbraw/zinc/18/44/25/1268184425.db2.gz YCACNNBVWQKPOW-KXBFYZLASA-N 1 3 355.442 0.431 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001550980241 1268188496 /nfs/dbraw/zinc/18/84/96/1268188496.db2.gz RRMWANHGZZFFHJ-BSDSXHPESA-N 1 3 366.506 0.527 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001550980241 1268188498 /nfs/dbraw/zinc/18/84/98/1268188498.db2.gz RRMWANHGZZFFHJ-BSDSXHPESA-N 1 3 366.506 0.527 20 0 FCADHO CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001550980906 1268189152 /nfs/dbraw/zinc/18/91/52/1268189152.db2.gz SDHQEFZAPHMYSC-YESZJQIVSA-N 1 3 354.495 0.600 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001551099959 1268205285 /nfs/dbraw/zinc/20/52/85/1268205285.db2.gz KLTNRBPSSPTJSJ-MANSERQUSA-N 1 3 365.518 0.791 20 0 FCADHO CN1CCN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)[C@@H](C[NH3+])C1 ZINC001551498074 1268261851 /nfs/dbraw/zinc/26/18/51/1268261851.db2.gz POOIMIXMOHVKCF-PQUAAJSLSA-N 1 3 353.511 0.304 20 0 FCADHO CN(C)CCn1c2cc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)ccc2oc1=O ZINC001552201472 1268408646 /nfs/dbraw/zinc/40/86/46/1268408646.db2.gz NZUAOTNXDIAAFR-KZULUSFZSA-N 1 3 360.414 0.331 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201432 1268408668 /nfs/dbraw/zinc/40/86/68/1268408668.db2.gz WABALHHKDBQEDA-UYAOXDASSA-N 1 3 358.486 0.286 20 0 FCADHO C[NH+](C)C1CC(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001552898447 1268564033 /nfs/dbraw/zinc/56/40/33/1268564033.db2.gz PPBVKKREALBPRE-UHFFFAOYSA-N 1 3 365.522 0.842 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001552899204 1268564795 /nfs/dbraw/zinc/56/47/95/1268564795.db2.gz SSYMBPKHABPAPE-MRXNPFEDSA-N 1 3 365.522 0.986 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001552899204 1268564797 /nfs/dbraw/zinc/56/47/97/1268564797.db2.gz SSYMBPKHABPAPE-MRXNPFEDSA-N 1 3 365.522 0.986 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC001552966522 1268570563 /nfs/dbraw/zinc/57/05/63/1268570563.db2.gz HVTOAHMXDQUKTM-IBGZPJMESA-N 1 3 364.534 0.724 20 0 FCADHO [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001553441943 1268649693 /nfs/dbraw/zinc/64/96/93/1268649693.db2.gz BZGQWEPWOSIVQW-YQVWRLOYSA-N 1 3 366.506 0.637 20 0 FCADHO C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553531802 1268664775 /nfs/dbraw/zinc/66/47/75/1268664775.db2.gz VUECMKDQIJWUNM-HOTGVXAUSA-N 1 3 365.522 0.747 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2[C@@H]3[NH2+]CCCC[C@@H]23)CC1 ZINC001553555307 1268669185 /nfs/dbraw/zinc/66/91/85/1268669185.db2.gz JJJVADAVSMOGLM-BZUAXINKSA-N 1 3 363.506 0.642 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001340863896 1268685690 /nfs/dbraw/zinc/68/56/90/1268685690.db2.gz CEZGPLCMOWMDAT-KRWDZBQOSA-N 1 3 354.495 0.047 20 0 FCADHO COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC001341716977 1269167184 /nfs/dbraw/zinc/16/71/84/1269167184.db2.gz LZAHXGLFORYAIF-YWZLYKJASA-N 1 3 359.470 0.976 20 0 FCADHO COc1cccc2c1CC[C@@]2(N)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001341716977 1269167187 /nfs/dbraw/zinc/16/71/87/1269167187.db2.gz LZAHXGLFORYAIF-YWZLYKJASA-N 1 3 359.470 0.976 20 0 FCADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC001341717057 1269167554 /nfs/dbraw/zinc/16/75/54/1269167554.db2.gz MCTGRFKQLUBBAV-RDTXWAMCSA-N 1 3 362.474 0.832 20 0 FCADHO CCc1noc(COCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC001341742671 1269183114 /nfs/dbraw/zinc/18/31/14/1269183114.db2.gz BMCDJSYQUVZPTN-UHFFFAOYSA-N 1 3 365.478 0.823 20 0 FCADHO O=C(CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)NCCN1CCCCC1 ZINC001580551444 1278485174 /nfs/dbraw/zinc/48/51/74/1278485174.db2.gz IJBYPIPQFFXHLJ-FQEVSTJZSA-N 1 3 358.486 0.636 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001342935918 1269686955 /nfs/dbraw/zinc/68/69/55/1269686955.db2.gz IAZCBYRDSNBITC-OAGGEKHMSA-N 1 3 368.522 0.399 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1OC)N(C)C ZINC001572960769 1270414124 /nfs/dbraw/zinc/41/41/24/1270414124.db2.gz WYBVMYXFQYFLNQ-BZUAXINKSA-N 1 3 370.538 0.647 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1OC)N(C)C ZINC001572960769 1270414127 /nfs/dbraw/zinc/41/41/27/1270414127.db2.gz WYBVMYXFQYFLNQ-BZUAXINKSA-N 1 3 370.538 0.647 20 0 FCADHO C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574606421 1271413527 /nfs/dbraw/zinc/41/35/27/1271413527.db2.gz IEAUOXBGMLYUHQ-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC(C)(C)OC(=O)COCCOCCN[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC001575160605 1271757281 /nfs/dbraw/zinc/75/72/81/1271757281.db2.gz OKUBCIKBNMJZKN-LSDHHAIUSA-N 1 3 358.479 0.847 20 0 FCADHO CC(C)(C)OC(=O)COCCOCC[NH2+][C@@H]1C[C@H](N)C12CCOCC2 ZINC001575160605 1271757287 /nfs/dbraw/zinc/75/72/87/1271757287.db2.gz OKUBCIKBNMJZKN-LSDHHAIUSA-N 1 3 358.479 0.847 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566662 1272202408 /nfs/dbraw/zinc/20/24/08/1272202408.db2.gz LEVLMSKUBYQHLT-JKSUJKDBSA-N 1 3 364.494 0.144 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567129 1272203781 /nfs/dbraw/zinc/20/37/81/1272203781.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 1 3 364.494 0.238 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2c[nH]nn2)CC1 ZINC001575567129 1272203783 /nfs/dbraw/zinc/20/37/83/1272203783.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 1 3 364.494 0.238 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC([N@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567129 1272203787 /nfs/dbraw/zinc/20/37/87/1272203787.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 1 3 364.494 0.238 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC([N@@H+](C)CCc2cn[nH]n2)CC1 ZINC001575567129 1272203794 /nfs/dbraw/zinc/20/37/94/1272203794.db2.gz RBTFTCOVGAWRDB-OAHLLOKOSA-N 1 3 364.494 0.238 20 0 FCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576247349 1273026468 /nfs/dbraw/zinc/02/64/68/1273026468.db2.gz OJJROHAVZBHDJQ-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576247349 1273026478 /nfs/dbraw/zinc/02/64/78/1273026478.db2.gz OJJROHAVZBHDJQ-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO CC[C@@H](C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)[NH+](CC)CC ZINC001576484003 1273326859 /nfs/dbraw/zinc/32/68/59/1273326859.db2.gz YINORSSIRZKJJC-INIZCTEOSA-N 1 3 374.493 0.983 20 0 FCADHO C[C@H]1CCCN1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001576715145 1273586359 /nfs/dbraw/zinc/58/63/59/1273586359.db2.gz SXJGSYJVSHZVSH-SOUVJXGZSA-N 1 3 366.535 0.536 20 0 FCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576785440 1273676761 /nfs/dbraw/zinc/67/67/61/1273676761.db2.gz LWJBPIXZDDUNLV-INIZCTEOSA-N 1 3 369.473 0.947 20 0 FCADHO CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576817275 1273737201 /nfs/dbraw/zinc/73/72/01/1273737201.db2.gz NNVXLOGGTKNSQA-CYBMUJFWSA-N 1 3 363.441 0.942 20 0 FCADHO CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001576817275 1273737207 /nfs/dbraw/zinc/73/72/07/1273737207.db2.gz NNVXLOGGTKNSQA-CYBMUJFWSA-N 1 3 363.441 0.942 20 0 FCADHO C[NH+]1CCC(OCC(=O)NC2(CNCc3cn[nH]n3)CCCC2)CC1 ZINC001576883444 1273865664 /nfs/dbraw/zinc/86/56/64/1273865664.db2.gz NGCLRNQOWIPXBR-UHFFFAOYSA-N 1 3 350.467 0.434 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001576903579 1273910197 /nfs/dbraw/zinc/91/01/97/1273910197.db2.gz HNEIWOXOVVRLDY-QGZVFWFLSA-N 1 3 363.510 0.303 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001576903579 1273910204 /nfs/dbraw/zinc/91/02/04/1273910204.db2.gz HNEIWOXOVVRLDY-QGZVFWFLSA-N 1 3 363.510 0.303 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577852393 1274996708 /nfs/dbraw/zinc/99/67/08/1274996708.db2.gz QCYDNGUSMMBUQH-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577852393 1274996715 /nfs/dbraw/zinc/99/67/15/1274996715.db2.gz QCYDNGUSMMBUQH-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577862918 1275033801 /nfs/dbraw/zinc/03/38/01/1275033801.db2.gz NEGMGXCGAMQTRL-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577862918 1275033806 /nfs/dbraw/zinc/03/38/06/1275033806.db2.gz NEGMGXCGAMQTRL-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577862918 1275033815 /nfs/dbraw/zinc/03/38/15/1275033815.db2.gz NEGMGXCGAMQTRL-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577862918 1275033821 /nfs/dbraw/zinc/03/38/21/1275033821.db2.gz NEGMGXCGAMQTRL-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO O=C(NCC=CC[NH2+]CCc1cn[nH]n1)c1ccn(-c2ccncc2)n1 ZINC001578005617 1275267528 /nfs/dbraw/zinc/26/75/28/1275267528.db2.gz BWJPDKCYNWXEBL-UPHRSURJSA-N 1 3 352.402 0.504 20 0 FCADHO O=C(NCC=CC[NH2+]CCc1c[nH]nn1)c1ccn(-c2ccncc2)n1 ZINC001578005617 1275267532 /nfs/dbraw/zinc/26/75/32/1275267532.db2.gz BWJPDKCYNWXEBL-UPHRSURJSA-N 1 3 352.402 0.504 20 0 FCADHO CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH3+] ZINC001578142078 1275442004 /nfs/dbraw/zinc/44/20/04/1275442004.db2.gz KCAOGQGSABROGV-HNNXBMFYSA-N 1 3 352.483 0.322 20 0 FCADHO CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC[NH2+]C ZINC001578312295 1275650422 /nfs/dbraw/zinc/65/04/22/1275650422.db2.gz QUBMMVAMQXLTEF-UHFFFAOYSA-N 1 3 350.511 0.999 20 0 FCADHO CCc1nnc(N2C[C@@H]3C[C@]3([NH3+])C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001578331291 1275678822 /nfs/dbraw/zinc/67/88/22/1275678822.db2.gz RKTQEYKJKBYPGJ-BXWFABGCSA-N 1 3 361.538 0.652 20 0 FCADHO C[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001578719983 1276194060 /nfs/dbraw/zinc/19/40/60/1276194060.db2.gz AJXCCEMSCGGAGM-HNNXBMFYSA-N 1 3 374.493 0.057 20 0 FCADHO COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NC[C@@H]1CCN1C1CCCC1)C2 ZINC001578843467 1276362977 /nfs/dbraw/zinc/36/29/77/1276362977.db2.gz VGZMPECTWZRDAD-PGSNGQOISA-N 1 3 364.490 0.925 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578974845 1276523951 /nfs/dbraw/zinc/52/39/51/1276523951.db2.gz VFHHRWGTRBUNBC-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578974845 1276523959 /nfs/dbraw/zinc/52/39/59/1276523959.db2.gz VFHHRWGTRBUNBC-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177190 1276937889 /nfs/dbraw/zinc/93/78/89/1276937889.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177190 1276937893 /nfs/dbraw/zinc/93/78/93/1276937893.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177190 1276937894 /nfs/dbraw/zinc/93/78/94/1276937894.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001579177190 1276937895 /nfs/dbraw/zinc/93/78/95/1276937895.db2.gz ZHJKMACIKRLWDW-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579326586 1277149736 /nfs/dbraw/zinc/14/97/36/1277149736.db2.gz PRKORLKSQKIAPY-GFCCVEGCSA-N 1 3 361.425 0.506 20 0 FCADHO CN(CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579326586 1277149738 /nfs/dbraw/zinc/14/97/38/1277149738.db2.gz PRKORLKSQKIAPY-GFCCVEGCSA-N 1 3 361.425 0.506 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001579326565 1277149866 /nfs/dbraw/zinc/14/98/66/1277149866.db2.gz KLSSXJVGPQNDRD-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001579326565 1277149867 /nfs/dbraw/zinc/14/98/67/1277149867.db2.gz KLSSXJVGPQNDRD-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001579326565 1277149869 /nfs/dbraw/zinc/14/98/69/1277149869.db2.gz KLSSXJVGPQNDRD-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001579326565 1277149871 /nfs/dbraw/zinc/14/98/71/1277149871.db2.gz KLSSXJVGPQNDRD-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331794 1277162751 /nfs/dbraw/zinc/16/27/51/1277162751.db2.gz FQWMVIYYTTVQIC-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331794 1277162754 /nfs/dbraw/zinc/16/27/54/1277162754.db2.gz FQWMVIYYTTVQIC-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331794 1277162758 /nfs/dbraw/zinc/16/27/58/1277162758.db2.gz FQWMVIYYTTVQIC-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331794 1277162759 /nfs/dbraw/zinc/16/27/59/1277162759.db2.gz FQWMVIYYTTVQIC-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579332050 1277163731 /nfs/dbraw/zinc/16/37/31/1277163731.db2.gz IERCHQKGRSVEOR-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579332050 1277163734 /nfs/dbraw/zinc/16/37/34/1277163734.db2.gz IERCHQKGRSVEOR-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579332050 1277163737 /nfs/dbraw/zinc/16/37/37/1277163737.db2.gz IERCHQKGRSVEOR-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579332050 1277163744 /nfs/dbraw/zinc/16/37/44/1277163744.db2.gz IERCHQKGRSVEOR-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333363 1277168860 /nfs/dbraw/zinc/16/88/60/1277168860.db2.gz QEHDLNDTLBMGSE-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333363 1277168861 /nfs/dbraw/zinc/16/88/61/1277168861.db2.gz QEHDLNDTLBMGSE-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333363 1277168863 /nfs/dbraw/zinc/16/88/63/1277168863.db2.gz QEHDLNDTLBMGSE-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333363 1277168867 /nfs/dbraw/zinc/16/88/67/1277168867.db2.gz QEHDLNDTLBMGSE-RDJZCZTQSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339435 1277183107 /nfs/dbraw/zinc/18/31/07/1277183107.db2.gz IERCHQKGRSVEOR-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339435 1277183110 /nfs/dbraw/zinc/18/31/10/1277183110.db2.gz IERCHQKGRSVEOR-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339435 1277183114 /nfs/dbraw/zinc/18/31/14/1277183114.db2.gz IERCHQKGRSVEOR-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339435 1277183121 /nfs/dbraw/zinc/18/31/21/1277183121.db2.gz IERCHQKGRSVEOR-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579339598 1277183685 /nfs/dbraw/zinc/18/36/85/1277183685.db2.gz KHNMWJXQOZHUJI-KFWWJZLASA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579339598 1277183686 /nfs/dbraw/zinc/18/36/86/1277183686.db2.gz KHNMWJXQOZHUJI-KFWWJZLASA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579339598 1277183687 /nfs/dbraw/zinc/18/36/87/1277183687.db2.gz KHNMWJXQOZHUJI-KFWWJZLASA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579339598 1277183688 /nfs/dbraw/zinc/18/36/88/1277183688.db2.gz KHNMWJXQOZHUJI-KFWWJZLASA-N 1 3 355.446 0.555 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015150 1277990200 /nfs/dbraw/zinc/99/02/00/1277990200.db2.gz NQNHZEMBXOBXIW-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015150 1277990203 /nfs/dbraw/zinc/99/02/03/1277990203.db2.gz NQNHZEMBXOBXIW-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015150 1277990204 /nfs/dbraw/zinc/99/02/04/1277990204.db2.gz NQNHZEMBXOBXIW-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015150 1277990205 /nfs/dbraw/zinc/99/02/05/1277990205.db2.gz NQNHZEMBXOBXIW-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC001580030165 1277996870 /nfs/dbraw/zinc/99/68/70/1277996870.db2.gz NDRKSEPKPDARHP-OKILXGFUSA-N 1 3 373.461 0.564 20 0 FCADHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC001580030165 1277996874 /nfs/dbraw/zinc/99/68/74/1277996874.db2.gz NDRKSEPKPDARHP-OKILXGFUSA-N 1 3 373.461 0.564 20 0 FCADHO NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCC2)C1 ZINC001580089105 1278004066 /nfs/dbraw/zinc/00/40/66/1278004066.db2.gz KFXYKWFUXNUMTL-CABCVRRESA-N 1 3 361.494 0.500 20 0 FCADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001580867562 1279071398 /nfs/dbraw/zinc/07/13/98/1279071398.db2.gz KHYNAEOKEBECBN-IAGOWNOFSA-N 1 3 359.536 0.817 20 0 FCADHO Cc1cc(N[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994994 1279202681 /nfs/dbraw/zinc/20/26/81/1279202681.db2.gz VFQDDMYGEIQGSK-XJKSGUPXSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(N[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994994 1279202688 /nfs/dbraw/zinc/20/26/88/1279202688.db2.gz VFQDDMYGEIQGSK-XJKSGUPXSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(NC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011960 1279238388 /nfs/dbraw/zinc/23/83/88/1279238388.db2.gz PYLCYERDIQSPNL-BBRMVZONSA-N 1 3 374.493 0.837 20 0 FCADHO Cc1cc(NCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024974 1279256136 /nfs/dbraw/zinc/25/61/36/1279256136.db2.gz LXJKHKPWQHUOAW-MLGOLLRUSA-N 1 3 374.493 0.885 20 0 FCADHO Cc1cc(NCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026027 1279259401 /nfs/dbraw/zinc/25/94/01/1279259401.db2.gz ANTXXHAKYMTKTK-INIZCTEOSA-N 1 3 372.477 0.735 20 0 FCADHO Cc1cc(NCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026027 1279259403 /nfs/dbraw/zinc/25/94/03/1279259403.db2.gz ANTXXHAKYMTKTK-INIZCTEOSA-N 1 3 372.477 0.735 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028299 1279264704 /nfs/dbraw/zinc/26/47/04/1279264704.db2.gz PCWWXMINZRYCMI-OKILXGFUSA-N 1 3 372.477 0.735 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028299 1279264713 /nfs/dbraw/zinc/26/47/13/1279264713.db2.gz PCWWXMINZRYCMI-OKILXGFUSA-N 1 3 372.477 0.735 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001715202433 1287346691 /nfs/dbraw/zinc/34/66/91/1287346691.db2.gz UICGNGZOJLSHTM-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001715202433 1287346701 /nfs/dbraw/zinc/34/67/01/1287346701.db2.gz UICGNGZOJLSHTM-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO CC[NH2+]CC1CC[NH+](C[C@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001590745573 1283797715 /nfs/dbraw/zinc/79/77/15/1283797715.db2.gz HSGRFYKOUUNDAF-HNNXBMFYSA-N 1 3 360.462 0.928 20 0 FCADHO CC[NH2+]CC1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001590745573 1283797720 /nfs/dbraw/zinc/79/77/20/1283797720.db2.gz HSGRFYKOUUNDAF-HNNXBMFYSA-N 1 3 360.462 0.928 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001591012758 1284073500 /nfs/dbraw/zinc/07/35/00/1284073500.db2.gz XPPXJCDUPQLCGJ-UHFFFAOYSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001591012758 1284073508 /nfs/dbraw/zinc/07/35/08/1284073508.db2.gz XPPXJCDUPQLCGJ-UHFFFAOYSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001591178501 1284276858 /nfs/dbraw/zinc/27/68/58/1284276858.db2.gz KQGXOSMNELMVOH-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001591178501 1284276871 /nfs/dbraw/zinc/27/68/71/1284276871.db2.gz KQGXOSMNELMVOH-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001591178501 1284276882 /nfs/dbraw/zinc/27/68/82/1284276882.db2.gz KQGXOSMNELMVOH-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001591178501 1284276894 /nfs/dbraw/zinc/27/68/94/1284276894.db2.gz KQGXOSMNELMVOH-CQSZACIVSA-N 1 3 357.462 0.757 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(-c3nnn[n-]3)c(OC)c1)C2 ZINC001591284296 1284442220 /nfs/dbraw/zinc/44/22/20/1284442220.db2.gz GPIMXFPIZCHXIR-JCGVRSQUSA-N 1 3 372.429 0.588 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(-c3nnn[n-]3)c(OC)c1)C2 ZINC001591284296 1284442223 /nfs/dbraw/zinc/44/22/23/1284442223.db2.gz GPIMXFPIZCHXIR-JCGVRSQUSA-N 1 3 372.429 0.588 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(-c3nn[n-]n3)c(OC)c1)C2 ZINC001591284296 1284442230 /nfs/dbraw/zinc/44/22/30/1284442230.db2.gz GPIMXFPIZCHXIR-JCGVRSQUSA-N 1 3 372.429 0.588 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(-c3nn[n-]n3)c(OC)c1)C2 ZINC001591284296 1284442236 /nfs/dbraw/zinc/44/22/36/1284442236.db2.gz GPIMXFPIZCHXIR-JCGVRSQUSA-N 1 3 372.429 0.588 20 0 FCADHO Cc1cc(NCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592049400 1285095186 /nfs/dbraw/zinc/09/51/86/1285095186.db2.gz SZJHGIXOKNSQPI-OAHLLOKOSA-N 1 3 358.450 0.393 20 0 FCADHO Cc1cc(NCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592049400 1285095194 /nfs/dbraw/zinc/09/51/94/1285095194.db2.gz SZJHGIXOKNSQPI-OAHLLOKOSA-N 1 3 358.450 0.393 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001604854678 1287799464 /nfs/dbraw/zinc/79/94/64/1287799464.db2.gz RCJVGKKFXXKBMD-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001604854678 1287799470 /nfs/dbraw/zinc/79/94/70/1287799470.db2.gz RCJVGKKFXXKBMD-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001604854678 1287799476 /nfs/dbraw/zinc/79/94/76/1287799476.db2.gz RCJVGKKFXXKBMD-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001604854678 1287799483 /nfs/dbraw/zinc/79/94/83/1287799483.db2.gz RCJVGKKFXXKBMD-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO Cc1cc(NCCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001605733541 1288065428 /nfs/dbraw/zinc/06/54/28/1288065428.db2.gz FWSHXZSMRZUMIS-INIZCTEOSA-N 1 3 374.493 0.839 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N2CCO[C@H](C)C2)C1 ZINC001692084215 1289390467 /nfs/dbraw/zinc/39/04/67/1289390467.db2.gz YFSFWJIEJVJESF-ZACQAIPSSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOCCNC(C)=O)[C@@H]2C)CC[N@@H+]1C ZINC001692164475 1289413131 /nfs/dbraw/zinc/41/31/31/1289413131.db2.gz YICOYRHUPZXZSL-LAVFITLUSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOCCNC(C)=O)[C@@H]2C)CC[N@H+]1C ZINC001692164475 1289413136 /nfs/dbraw/zinc/41/31/36/1289413136.db2.gz YICOYRHUPZXZSL-LAVFITLUSA-N 1 3 368.522 0.448 20 0 FCADHO CCN(CC)C(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692281231 1289440715 /nfs/dbraw/zinc/44/07/15/1289440715.db2.gz WOEHNPXPMOFLRS-ZACQAIPSSA-N 1 3 352.523 0.975 20 0 FCADHO Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067834 1289545524 /nfs/dbraw/zinc/54/55/24/1289545524.db2.gz ZVHBCJCDRVEWPG-QRVBRYPASA-N 1 3 371.485 0.332 20 0 FCADHO Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067834 1289545529 /nfs/dbraw/zinc/54/55/29/1289545529.db2.gz ZVHBCJCDRVEWPG-QRVBRYPASA-N 1 3 371.485 0.332 20 0 FCADHO C[C@H](CCNCC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102941 1289546712 /nfs/dbraw/zinc/54/67/12/1289546712.db2.gz WJPNMIWXZGOBHW-JHJVBQTASA-N 1 3 353.492 0.906 20 0 FCADHO C[C@H](CCNCC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699102941 1289546716 /nfs/dbraw/zinc/54/67/16/1289546716.db2.gz WJPNMIWXZGOBHW-JHJVBQTASA-N 1 3 353.492 0.906 20 0 FCADHO CCCCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699404001 1289552308 /nfs/dbraw/zinc/55/23/08/1289552308.db2.gz WZXSEWVZRPIFQU-BFHYXJOUSA-N 1 3 355.483 0.047 20 0 FCADHO CCCCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699404001 1289552312 /nfs/dbraw/zinc/55/23/12/1289552312.db2.gz WZXSEWVZRPIFQU-BFHYXJOUSA-N 1 3 355.483 0.047 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699813645 1289566890 /nfs/dbraw/zinc/56/68/90/1289566890.db2.gz MUTYVNXCABSXTL-QGPMSJSTSA-N 1 3 354.495 0.060 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699813645 1289566899 /nfs/dbraw/zinc/56/68/99/1289566899.db2.gz MUTYVNXCABSXTL-QGPMSJSTSA-N 1 3 354.495 0.060 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001739457731 1290033999 /nfs/dbraw/zinc/03/39/99/1290033999.db2.gz CWFMFSGSKZARLQ-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001739663046 1290326748 /nfs/dbraw/zinc/32/67/48/1290326748.db2.gz BIVRROLGOJLNCP-IKGGRYGDSA-N 1 3 368.522 0.281 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001739663046 1290326758 /nfs/dbraw/zinc/32/67/58/1290326758.db2.gz BIVRROLGOJLNCP-IKGGRYGDSA-N 1 3 368.522 0.281 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21)C1CCC1 ZINC001739714977 1290381468 /nfs/dbraw/zinc/38/14/68/1290381468.db2.gz XBNMGRMLCFXAEA-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]32)C1 ZINC001757247394 1290750590 /nfs/dbraw/zinc/75/05/90/1290750590.db2.gz SMIWFCULLIPWDY-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001656842504 1291566585 /nfs/dbraw/zinc/56/65/85/1291566585.db2.gz AZBYNAODKCEYFC-SJORKVTESA-N 1 3 367.538 0.816 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1 ZINC001656842504 1291566587 /nfs/dbraw/zinc/56/65/87/1291566587.db2.gz AZBYNAODKCEYFC-SJORKVTESA-N 1 3 367.538 0.816 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001689067130 1294589568 /nfs/dbraw/zinc/58/95/68/1294589568.db2.gz QJWOXFSEPITZMP-HZPDHXFCSA-N 1 3 368.522 0.448 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C ZINC001689083856 1294602893 /nfs/dbraw/zinc/60/28/93/1294602893.db2.gz QODSWSLEDQDDCV-IKGGRYGDSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001689098510 1294617016 /nfs/dbraw/zinc/61/70/16/1294617016.db2.gz PSHJTNUASDSGSI-PBHICJAKSA-N 1 3 350.507 0.824 20 0 FCADHO CCCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001689106449 1294620004 /nfs/dbraw/zinc/62/00/04/1294620004.db2.gz GNFQOWJYGCRKIH-CVEARBPZSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001689101732 1294620157 /nfs/dbraw/zinc/62/01/57/1294620157.db2.gz PAKLAXPFPBYRIG-YCPHGPKFSA-N 1 3 364.494 0.149 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)C1CCC1 ZINC001689222218 1294679919 /nfs/dbraw/zinc/67/99/19/1294679919.db2.gz GQSDWKFQWZCINE-SJORKVTESA-N 1 3 362.518 0.777 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1)C1CCC1 ZINC001689222218 1294679930 /nfs/dbraw/zinc/67/99/30/1294679930.db2.gz GQSDWKFQWZCINE-SJORKVTESA-N 1 3 362.518 0.777 20 0 FCADHO C[NH+](C)CCOCc1ncn2c1CN(c1cc3c(nn1)CCNC3)CCC2 ZINC001165002216 722254955 /nfs/dbraw/zinc/25/49/55/722254955.db2.gz LPIQJHKHQBPBSS-UHFFFAOYSA-N 1 3 371.489 0.807 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363856 844160771 /nfs/dbraw/zinc/16/07/71/844160771.db2.gz CLJWKFOHOMNLBL-LMMKCTJWSA-N 1 3 353.507 0.914 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363856 844160778 /nfs/dbraw/zinc/16/07/78/844160778.db2.gz CLJWKFOHOMNLBL-LMMKCTJWSA-N 1 3 353.507 0.914 20 0 FCADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001077778330 839152028 /nfs/dbraw/zinc/15/20/28/839152028.db2.gz DILXFIFGBPIOLU-OPQOLIRYSA-N 1 3 353.507 0.695 20 0 FCADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n[nH]1 ZINC001078404979 839458201 /nfs/dbraw/zinc/45/82/01/839458201.db2.gz AQENATXDODWBJF-BPLDGKMQSA-N 1 3 350.467 0.160 20 0 FCADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n[nH]1 ZINC001078404979 839458206 /nfs/dbraw/zinc/45/82/06/839458206.db2.gz AQENATXDODWBJF-BPLDGKMQSA-N 1 3 350.467 0.160 20 0 FCADHO CCNC(=O)CN1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102188609 844438665 /nfs/dbraw/zinc/43/86/65/844438665.db2.gz BVLPGYWSMVENDB-KYJSFNMBSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294217 844459750 /nfs/dbraw/zinc/45/97/50/844459750.db2.gz OTLGRXHRVGDTHU-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080561129 839746420 /nfs/dbraw/zinc/74/64/20/839746420.db2.gz OMAWKDSJBLRRSW-ZMSDIMECSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080561129 839746425 /nfs/dbraw/zinc/74/64/25/839746425.db2.gz OMAWKDSJBLRRSW-ZMSDIMECSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369942 844477317 /nfs/dbraw/zinc/47/73/17/844477317.db2.gz LGHBZANDYDOXPD-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)C1 ZINC001102369942 844477320 /nfs/dbraw/zinc/47/73/20/844477320.db2.gz LGHBZANDYDOXPD-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N1CCCC1 ZINC001082570555 840470597 /nfs/dbraw/zinc/47/05/97/840470597.db2.gz QIGLCVQZZKVDKD-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N1CCCC1 ZINC001082570555 840470601 /nfs/dbraw/zinc/47/06/01/840470601.db2.gz QIGLCVQZZKVDKD-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513889 844544362 /nfs/dbraw/zinc/54/43/62/844544362.db2.gz FKYWFKPAGLTNOS-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513889 844544369 /nfs/dbraw/zinc/54/43/69/844544369.db2.gz FKYWFKPAGLTNOS-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514554 844546605 /nfs/dbraw/zinc/54/66/05/844546605.db2.gz AVVGTILPDCUBFO-HLLBOEOZSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514554 844546610 /nfs/dbraw/zinc/54/66/10/844546610.db2.gz AVVGTILPDCUBFO-HLLBOEOZSA-N 1 3 350.507 0.539 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1)N(C)C ZINC001082748481 840545938 /nfs/dbraw/zinc/54/59/38/840545938.db2.gz NREYVMIWRWBMCX-YUELXQCFSA-N 1 3 351.447 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082766565 840548320 /nfs/dbraw/zinc/54/83/20/840548320.db2.gz GYRUDRUTAKBWEW-UMVBOHGHSA-N 1 3 354.476 0.214 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082822022 840574471 /nfs/dbraw/zinc/57/44/71/840574471.db2.gz DWWNFGBGHZONSS-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082923332 840603275 /nfs/dbraw/zinc/60/32/75/840603275.db2.gz DYUWSNZIMWZESR-VNHYZAJKSA-N 1 3 353.492 0.443 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600632 844592673 /nfs/dbraw/zinc/59/26/73/844592673.db2.gz NUGOMOQJBJGUMB-HZPDHXFCSA-N 1 3 355.527 0.718 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600632 844592683 /nfs/dbraw/zinc/59/26/83/844592683.db2.gz NUGOMOQJBJGUMB-HZPDHXFCSA-N 1 3 355.527 0.718 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563638 841173912 /nfs/dbraw/zinc/17/39/12/841173912.db2.gz YQPZXLPDRRPMDT-BBWFWOEESA-N 1 3 351.491 0.450 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085331891 842079377 /nfs/dbraw/zinc/07/93/77/842079377.db2.gz CPWBCLBCNIKUAG-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087062567 842258978 /nfs/dbraw/zinc/25/89/78/842258978.db2.gz LXINBLFTQVQYIN-DJIMGWMZSA-N 1 3 351.495 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083830 842278095 /nfs/dbraw/zinc/27/80/95/842278095.db2.gz URLASKFBXKRMFN-IIAWOOMASA-N 1 3 367.519 0.976 20 0 FCADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001087230679 842321946 /nfs/dbraw/zinc/32/19/46/842321946.db2.gz HXYPABIGVMZCMC-IKGGRYGDSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)CC[N@@H+]1C ZINC001089941353 842776273 /nfs/dbraw/zinc/77/62/73/842776273.db2.gz HEIDYHCTCGQIOY-YESZJQIVSA-N 1 3 353.507 0.696 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCO)CC3(CCOCC3)C2)CC[N@H+]1C ZINC001089941353 842776277 /nfs/dbraw/zinc/77/62/77/842776277.db2.gz HEIDYHCTCGQIOY-YESZJQIVSA-N 1 3 353.507 0.696 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC001092620391 843255435 /nfs/dbraw/zinc/25/54/35/843255435.db2.gz FMCXGNHTDPERNJ-QBPKDAKJSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCCC3)C[C@H]2C)CC[N@H+]1C ZINC001092620391 843255447 /nfs/dbraw/zinc/25/54/47/843255447.db2.gz FMCXGNHTDPERNJ-QBPKDAKJSA-N 1 3 350.507 0.633 20 0 FCADHO CCN1CC[C@@H](N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936815 843348990 /nfs/dbraw/zinc/34/89/90/843348990.db2.gz JPQAGPPRCLMRMC-DJIMGWMZSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093287770 843421898 /nfs/dbraw/zinc/42/18/98/843421898.db2.gz MYEVESORYNHYCB-ZACQAIPSSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093820860 843475318 /nfs/dbraw/zinc/47/53/18/843475318.db2.gz PMQZDXIMTAKUAB-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093820543 843475386 /nfs/dbraw/zinc/47/53/86/843475386.db2.gz LUPAVOXNJLZGCI-OWCLPIDISA-N 1 3 371.547 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094074751 843508411 /nfs/dbraw/zinc/50/84/11/843508411.db2.gz KJMLYWXASFYAKW-HZSPNIEDSA-N 1 3 354.476 0.071 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094131253 843519428 /nfs/dbraw/zinc/51/94/28/843519428.db2.gz YLKPRIXJLYHLEB-ZACQAIPSSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1 ZINC001094224352 843532235 /nfs/dbraw/zinc/53/22/35/843532235.db2.gz HCXHKIUIIZVBOZ-QLFBSQMISA-N 1 3 367.519 0.691 20 0 FCADHO COCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276357503 861427643 /nfs/dbraw/zinc/42/76/43/861427643.db2.gz NCQLPSIGZYZQTN-IBGZPJMESA-N 1 3 352.523 0.727 20 0 FCADHO COCC[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276357503 861427650 /nfs/dbraw/zinc/42/76/50/861427650.db2.gz NCQLPSIGZYZQTN-IBGZPJMESA-N 1 3 352.523 0.727 20 0 FCADHO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCC(C)CC2)C1 ZINC001099093004 843961521 /nfs/dbraw/zinc/96/15/21/843961521.db2.gz RPTXQHJTNOFAQS-BXWFABGCSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCC(C)CC2)C1 ZINC001099093004 843961525 /nfs/dbraw/zinc/96/15/25/843961525.db2.gz RPTXQHJTNOFAQS-BXWFABGCSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782815 844647542 /nfs/dbraw/zinc/64/75/42/844647542.db2.gz QJTYDRDTMHNQGP-DJIMGWMZSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782815 844647544 /nfs/dbraw/zinc/64/75/44/844647544.db2.gz QJTYDRDTMHNQGP-DJIMGWMZSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103086949 844699441 /nfs/dbraw/zinc/69/94/41/844699441.db2.gz YNMXHACOPPCNIY-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103086949 844699444 /nfs/dbraw/zinc/69/94/44/844699444.db2.gz YNMXHACOPPCNIY-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@H](COCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001103448574 844759897 /nfs/dbraw/zinc/75/98/97/844759897.db2.gz TVKSEBXPZQDMTK-BZUAXINKSA-N 1 3 354.495 0.047 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103644457 844793456 /nfs/dbraw/zinc/79/34/56/844793456.db2.gz AJZZPFMDWSQHPT-OWCLPIDISA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103644457 844793461 /nfs/dbraw/zinc/79/34/61/844793461.db2.gz AJZZPFMDWSQHPT-OWCLPIDISA-N 1 3 350.507 0.681 20 0 FCADHO CN(C)CCC[NH+]1CCC2(C[C@@H]2C(=O)NCCN2CCOCC2)CC1 ZINC001276611502 861499466 /nfs/dbraw/zinc/49/94/66/861499466.db2.gz VQEDUVSYNKYODY-QGZVFWFLSA-N 1 3 352.523 0.489 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104288052 844890644 /nfs/dbraw/zinc/89/06/44/844890644.db2.gz RVBNRQCWRLSAAQ-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104809695 844946351 /nfs/dbraw/zinc/94/63/51/844946351.db2.gz OPYWSGGMRUEMBE-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001105642926 845006839 /nfs/dbraw/zinc/00/68/39/845006839.db2.gz OUOACZCGARFBQY-YKTARERQSA-N 1 3 355.523 0.675 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667279 845013801 /nfs/dbraw/zinc/01/38/01/845013801.db2.gz AFOFIIBBCBKPJK-ZAWLATJESA-N 1 3 355.523 0.677 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106249664 845143297 /nfs/dbraw/zinc/14/32/97/845143297.db2.gz MQUKHYUDOBUKQD-BMFZPTHFSA-N 1 3 359.536 0.445 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106255736 845144279 /nfs/dbraw/zinc/14/42/79/845144279.db2.gz FOJORSJJDSVKST-HUUCEWRRSA-N 1 3 351.495 0.180 20 0 FCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453022 845177085 /nfs/dbraw/zinc/17/70/85/845177085.db2.gz BNERIBLUOFYRDZ-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106662722 845217135 /nfs/dbraw/zinc/21/71/35/845217135.db2.gz AASNUINXHOSBIC-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106662723 845217159 /nfs/dbraw/zinc/21/71/59/845217159.db2.gz AASNUINXHOSBIC-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106662891 845217776 /nfs/dbraw/zinc/21/77/76/845217776.db2.gz IUMXCIONLVAZME-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001106673368 845221245 /nfs/dbraw/zinc/22/12/45/845221245.db2.gz WRPFBPFGDKKSGD-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705039 845229503 /nfs/dbraw/zinc/22/95/03/845229503.db2.gz OPCCZKJQUFDAHJ-INMHGKMJSA-N 1 3 352.479 0.670 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106784042 845251812 /nfs/dbraw/zinc/25/18/12/845251812.db2.gz AKXFNNLWNMPHGP-BFYDXBDKSA-N 1 3 352.523 0.927 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438755 845373215 /nfs/dbraw/zinc/37/32/15/845373215.db2.gz IFKKWETZRCJLDF-HHXXYDBFSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001111658599 846167670 /nfs/dbraw/zinc/16/76/70/846167670.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001111658599 846167679 /nfs/dbraw/zinc/16/76/79/846167679.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658599 846167691 /nfs/dbraw/zinc/16/76/91/846167691.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658599 846167699 /nfs/dbraw/zinc/16/76/99/846167699.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873316 846241767 /nfs/dbraw/zinc/24/17/67/846241767.db2.gz VEZKJJAHBYAQDZ-KHYOSLBOSA-N 1 3 350.507 0.824 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2)CC(C)(C)C ZINC001111873316 846241768 /nfs/dbraw/zinc/24/17/68/846241768.db2.gz VEZKJJAHBYAQDZ-KHYOSLBOSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112182178 846442024 /nfs/dbraw/zinc/44/20/24/846442024.db2.gz TTWNWVRVFBFSEK-JHJVBQTASA-N 1 3 355.401 0.314 20 0 FCADHO CC[C@H](CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F)OC ZINC001112194318 846454330 /nfs/dbraw/zinc/45/43/30/846454330.db2.gz YMHRPUJOHSQTRH-MGPQQGTHSA-N 1 3 369.428 0.969 20 0 FCADHO COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206648 846464349 /nfs/dbraw/zinc/46/43/49/846464349.db2.gz ZHJJGGIQKNQLGY-MGPQQGTHSA-N 1 3 367.412 0.580 20 0 FCADHO COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206648 846464353 /nfs/dbraw/zinc/46/43/53/846464353.db2.gz ZHJJGGIQKNQLGY-MGPQQGTHSA-N 1 3 367.412 0.580 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112211964 846468755 /nfs/dbraw/zinc/46/87/55/846468755.db2.gz GEOCOUSDEGLPNL-CHWSQXEVSA-N 1 3 362.400 0.597 20 0 FCADHO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2)C(N)=O ZINC001112396823 846501331 /nfs/dbraw/zinc/50/13/31/846501331.db2.gz GMIHQLBAFDZQOE-DAYGRLMNSA-N 1 3 350.507 0.953 20 0 FCADHO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413225 846502252 /nfs/dbraw/zinc/50/22/52/846502252.db2.gz CWBUMWJLLFYUEP-DWRORGKVSA-N 1 3 355.523 0.798 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112529836 846516552 /nfs/dbraw/zinc/51/65/52/846516552.db2.gz RFEGUYYSIVMBLK-AOIWGVFYSA-N 1 3 353.507 0.555 20 0 FCADHO C[C@H](CO)C[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276973281 861716703 /nfs/dbraw/zinc/71/67/03/861716703.db2.gz BQYPOUQNMFJEQB-HKUYNNGSSA-N 1 3 352.523 0.319 20 0 FCADHO C[C@H](CO)C[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276973281 861716714 /nfs/dbraw/zinc/71/67/14/861716714.db2.gz BQYPOUQNMFJEQB-HKUYNNGSSA-N 1 3 352.523 0.319 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(O)cc1 ZINC001117061685 846869390 /nfs/dbraw/zinc/86/93/90/846869390.db2.gz KNJCOXRBXMOTRU-UHFFFAOYSA-N 1 3 350.463 0.003 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cn1 ZINC001119764976 847968389 /nfs/dbraw/zinc/96/83/89/847968389.db2.gz DJKSHHAGNAALOO-HOTGVXAUSA-N 1 3 350.467 0.508 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CC1 ZINC001122009386 848433903 /nfs/dbraw/zinc/43/39/03/848433903.db2.gz NUPOFEORUSSYDV-BRSBDYLESA-N 1 3 352.523 0.676 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2cccs2)CC[N@@H+]1C ZINC001127643690 848729914 /nfs/dbraw/zinc/72/99/14/848729914.db2.gz GXQOBCZCDFYANE-UKRRQHHQSA-N 1 3 352.504 0.453 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2cccs2)CC[N@H+]1C ZINC001127643690 848729926 /nfs/dbraw/zinc/72/99/26/848729926.db2.gz GXQOBCZCDFYANE-UKRRQHHQSA-N 1 3 352.504 0.453 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220464 848819358 /nfs/dbraw/zinc/81/93/58/848819358.db2.gz WUFNHBPGWKFTEP-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894887 848909780 /nfs/dbraw/zinc/90/97/80/848909780.db2.gz WPARETGXAKRNRB-BMFZPTHFSA-N 1 3 352.458 0.852 20 0 FCADHO CC(C)COCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991909 848926880 /nfs/dbraw/zinc/92/68/80/848926880.db2.gz CDUXVOWJMFTUOS-CVEARBPZSA-N 1 3 352.483 0.244 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001130698390 849028054 /nfs/dbraw/zinc/02/80/54/849028054.db2.gz KYLJMSWQMHAJSU-HLLBOEOZSA-N 1 3 351.495 0.681 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131010494 849070541 /nfs/dbraw/zinc/07/05/41/849070541.db2.gz NRURKXLNTXVDDV-INMHGKMJSA-N 1 3 351.495 0.537 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001131091240 849078512 /nfs/dbraw/zinc/07/85/12/849078512.db2.gz BIEDEPKTKZBAQD-BZUAXINKSA-N 1 3 351.495 0.681 20 0 FCADHO CC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001277712089 862021319 /nfs/dbraw/zinc/02/13/19/862021319.db2.gz HIAVDPHXPQXRKM-MJGOQNOKSA-N 1 3 352.523 0.462 20 0 FCADHO CC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001277712089 862021332 /nfs/dbraw/zinc/02/13/32/862021332.db2.gz HIAVDPHXPQXRKM-MJGOQNOKSA-N 1 3 352.523 0.462 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626163 849984956 /nfs/dbraw/zinc/98/49/56/849984956.db2.gz BHFGMEWEKHWBQZ-FYSMJZIKSA-N 1 3 359.536 0.433 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001157716664 849989126 /nfs/dbraw/zinc/98/91/26/849989126.db2.gz QMXQZRSMKDQJQY-HRCADAONSA-N 1 3 352.504 0.659 20 0 FCADHO C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157857002 850000493 /nfs/dbraw/zinc/00/04/93/850000493.db2.gz YTZZOEWEQPXBPD-WCVJEAGWSA-N 1 3 354.495 0.053 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241000 850027654 /nfs/dbraw/zinc/02/76/54/850027654.db2.gz POSPEOARGVVHBB-GHMZBOCLSA-N 1 3 365.400 0.438 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001158404621 850047853 /nfs/dbraw/zinc/04/78/53/850047853.db2.gz XUYXUGPYNDRLOA-NWDGAFQWSA-N 1 3 354.480 0.303 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2nncs2)CC[N@H+]1C ZINC001158404621 850047859 /nfs/dbraw/zinc/04/78/59/850047859.db2.gz XUYXUGPYNDRLOA-NWDGAFQWSA-N 1 3 354.480 0.303 20 0 FCADHO Cc1csc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001158428648 850048435 /nfs/dbraw/zinc/04/84/35/850048435.db2.gz MNLZQGCQKYXYDE-CHWSQXEVSA-N 1 3 353.492 0.826 20 0 FCADHO Cc1csc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001158428648 850048445 /nfs/dbraw/zinc/04/84/45/850048445.db2.gz MNLZQGCQKYXYDE-CHWSQXEVSA-N 1 3 353.492 0.826 20 0 FCADHO Cc1nnc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001158428849 850049156 /nfs/dbraw/zinc/04/91/56/850049156.db2.gz WOYGSAGZDHLGSK-ZYHUDNBSSA-N 1 3 354.480 0.221 20 0 FCADHO Cc1nnc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001158428849 850049167 /nfs/dbraw/zinc/04/91/67/850049167.db2.gz WOYGSAGZDHLGSK-ZYHUDNBSSA-N 1 3 354.480 0.221 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159292442 850106963 /nfs/dbraw/zinc/10/69/63/850106963.db2.gz XOGKQOGFRHKIKR-HOCLYGCPSA-N 1 3 350.507 0.809 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159292442 850106971 /nfs/dbraw/zinc/10/69/71/850106971.db2.gz XOGKQOGFRHKIKR-HOCLYGCPSA-N 1 3 350.507 0.809 20 0 FCADHO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001159625513 850124799 /nfs/dbraw/zinc/12/47/99/850124799.db2.gz XDBYFRBHTWCVMK-SOLBZPMBSA-N 1 3 351.491 0.905 20 0 FCADHO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001159625513 850124803 /nfs/dbraw/zinc/12/48/03/850124803.db2.gz XDBYFRBHTWCVMK-SOLBZPMBSA-N 1 3 351.491 0.905 20 0 FCADHO CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159832236 850139075 /nfs/dbraw/zinc/13/90/75/850139075.db2.gz BHDMWEKCIHTGAZ-MELADBBJSA-N 1 3 352.460 0.456 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F ZINC001160454738 850173499 /nfs/dbraw/zinc/17/34/99/850173499.db2.gz SINANCKOBMAUHC-ZDUSSCGKSA-N 1 3 366.428 0.963 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160477918 850175122 /nfs/dbraw/zinc/17/51/22/850175122.db2.gz HQWSGMDQMNNICU-QMMMGPOBSA-N 1 3 352.386 0.272 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(n2c3ccccc3oc2=O)CC1 ZINC001160557624 850181943 /nfs/dbraw/zinc/18/19/43/850181943.db2.gz WEVYIMGKOHDMFJ-ZDUSSCGKSA-N 1 3 364.471 0.777 20 0 FCADHO CCOC(=O)c1cc2c(s1)CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160563914 850181957 /nfs/dbraw/zinc/18/19/57/850181957.db2.gz IEFDUOWYFBPDFU-NSHDSACASA-N 1 3 357.501 0.829 20 0 FCADHO CO[C@@H](CN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1)c1ccccc1 ZINC001160906667 850212546 /nfs/dbraw/zinc/21/25/46/850212546.db2.gz KAQJCIJKQGXAEV-IRXDYDNUSA-N 1 3 366.531 0.538 20 0 FCADHO O=C(N1CCC(Oc2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160913320 850213504 /nfs/dbraw/zinc/21/35/04/850213504.db2.gz VVLGUOZCHRRPJW-SJKOYZFVSA-N 1 3 365.865 0.699 20 0 FCADHO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC(N(C)[C@H]2CCOC2)C1 ZINC001161498051 850264400 /nfs/dbraw/zinc/26/44/00/850264400.db2.gz GXMXBWKHKMWSNE-ZFWWWQNUSA-N 1 3 355.479 0.757 20 0 FCADHO CC[C@@]1(C(=O)OC)C[C@@H](NCCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522151 850724364 /nfs/dbraw/zinc/72/43/64/850724364.db2.gz XEIYOFHWANRSIR-DYVFJYSZSA-N 1 3 359.467 0.883 20 0 FCADHO CC(C)[C@H](C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O)[NH+](C)C ZINC001183360010 851244647 /nfs/dbraw/zinc/24/46/47/851244647.db2.gz MWWBFPRMISMDSB-CQSZACIVSA-N 1 3 358.464 0.195 20 0 FCADHO CCCCCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189453354 851792873 /nfs/dbraw/zinc/79/28/73/851792873.db2.gz HELGYAAELMAIQU-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CCCCCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189453354 851792879 /nfs/dbraw/zinc/79/28/79/851792879.db2.gz HELGYAAELMAIQU-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039689 852529296 /nfs/dbraw/zinc/52/92/96/852529296.db2.gz SGUNVWKBHIANNL-IAGOWNOFSA-N 1 3 353.507 0.840 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653650 853296650 /nfs/dbraw/zinc/29/66/50/853296650.db2.gz LOFZAPKBJIYKKD-KZNAEPCWSA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001198653650 853296657 /nfs/dbraw/zinc/29/66/57/853296657.db2.gz LOFZAPKBJIYKKD-KZNAEPCWSA-N 1 3 353.507 0.696 20 0 FCADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114321 853897790 /nfs/dbraw/zinc/89/77/90/853897790.db2.gz OADMOGBBGPOUNA-BRWVUGGUSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447745 853935526 /nfs/dbraw/zinc/93/55/26/853935526.db2.gz OTRAHHFRFNZVGO-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327775 854019899 /nfs/dbraw/zinc/01/98/99/854019899.db2.gz PQWAJCJMWOSHEB-NVXWUHKLSA-N 1 3 351.495 0.920 20 0 FCADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192338 854528366 /nfs/dbraw/zinc/52/83/66/854528366.db2.gz QBNNTVNBBKDTMZ-RVKOJVRFSA-N 1 3 351.491 0.855 20 0 FCADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192338 854528374 /nfs/dbraw/zinc/52/83/74/854528374.db2.gz QBNNTVNBBKDTMZ-RVKOJVRFSA-N 1 3 351.491 0.855 20 0 FCADHO CO[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729969 854739602 /nfs/dbraw/zinc/73/96/02/854739602.db2.gz AFXBEHMBUHWNIH-GVDBMIGSSA-N 1 3 357.495 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214343933 854928224 /nfs/dbraw/zinc/92/82/24/854928224.db2.gz KACCWNZSGNGUOH-UTUOFQBUSA-N 1 3 350.385 0.196 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636027 854983661 /nfs/dbraw/zinc/98/36/61/854983661.db2.gz AQWIVUFRHHVNHI-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636027 854983673 /nfs/dbraw/zinc/98/36/73/854983673.db2.gz AQWIVUFRHHVNHI-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856041 855024379 /nfs/dbraw/zinc/02/43/79/855024379.db2.gz VVHKXNUKJGUHIE-BMFZPTHFSA-N 1 3 353.511 0.471 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)N(C)C ZINC001214952937 855038829 /nfs/dbraw/zinc/03/88/29/855038829.db2.gz SWCABMUTKHAWEB-RBSFLKMASA-N 1 3 362.540 0.045 20 0 FCADHO CC(C)CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413598 855112395 /nfs/dbraw/zinc/11/23/95/855112395.db2.gz ISJROFGBRHHBGQ-BZUAXINKSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415574 855112451 /nfs/dbraw/zinc/11/24/51/855112451.db2.gz AVJDJAFDOUWEHG-BZUAXINKSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CCC2)C1)[NH+](C)C ZINC001215476411 855119912 /nfs/dbraw/zinc/11/99/12/855119912.db2.gz IDGBDRHBECNJBG-QGPMSJSTSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CCC3)C2)C1 ZINC001215544295 855127306 /nfs/dbraw/zinc/12/73/06/855127306.db2.gz OAWJISNBAJVSKG-BFYDXBDKSA-N 1 3 350.507 0.681 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1)N(C)C ZINC001215571418 855128690 /nfs/dbraw/zinc/12/86/90/855128690.db2.gz NVRJVLDDAKKNKL-KFWWJZLASA-N 1 3 362.540 0.093 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215681303 855135628 /nfs/dbraw/zinc/13/56/28/855135628.db2.gz UVGANWANZZBIHR-TZMCWYRMSA-N 1 3 350.467 0.486 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001215990230 855163274 /nfs/dbraw/zinc/16/32/74/855163274.db2.gz XIFFWCXPAKGSIV-BZUAXINKSA-N 1 3 356.511 0.306 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216225170 855180377 /nfs/dbraw/zinc/18/03/77/855180377.db2.gz AVZKPSVGWMAXAQ-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216225170 855180380 /nfs/dbraw/zinc/18/03/80/855180380.db2.gz AVZKPSVGWMAXAQ-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409228 855199857 /nfs/dbraw/zinc/19/98/57/855199857.db2.gz DCOODDJOZAWKLT-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CCC(CC)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410165 855199966 /nfs/dbraw/zinc/19/99/66/855199966.db2.gz RQJUYUVUKGPFQJ-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001216503338 855208880 /nfs/dbraw/zinc/20/88/80/855208880.db2.gz PPTMGJLFNJEBOU-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216515984 855210967 /nfs/dbraw/zinc/21/09/67/855210967.db2.gz WOTDFQPFOBHZEJ-HZPDHXFCSA-N 1 3 361.552 0.978 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCCCC1 ZINC001216754232 855232681 /nfs/dbraw/zinc/23/26/81/855232681.db2.gz LOAMFBAPTBRZKP-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCCCC1 ZINC001216754232 855232690 /nfs/dbraw/zinc/23/26/90/855232690.db2.gz LOAMFBAPTBRZKP-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216852396 855260634 /nfs/dbraw/zinc/26/06/34/855260634.db2.gz XVLGSXSIEBAZDU-OWCLPIDISA-N 1 3 359.536 0.588 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC(=O)NC1CC1 ZINC001216980327 855273176 /nfs/dbraw/zinc/27/31/76/855273176.db2.gz GXJCUHHBDFGAEW-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(Nc1cn2cc(Br)ccc2n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218589705 855444864 /nfs/dbraw/zinc/44/48/64/855444864.db2.gz UKAQNHRQGWWZPM-JTQLQIEISA-N 1 3 350.220 0.844 20 0 FCADHO O=C(Nc1ncnc2[nH]cc(Br)c21)[C@H]1C[NH2+]CC12CNC2 ZINC001218614051 855450853 /nfs/dbraw/zinc/45/08/53/855450853.db2.gz ABHMUEYNPWRHSY-SSDOTTSWSA-N 1 3 351.208 0.468 20 0 FCADHO COc1ccc(Br)nc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218618699 855451960 /nfs/dbraw/zinc/45/19/60/855451960.db2.gz VGJZOPQJDMXEQM-YMTOWFKASA-N 1 3 355.236 0.990 20 0 FCADHO CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218649195 855457149 /nfs/dbraw/zinc/45/71/49/855457149.db2.gz AUOAZFWYWLXAQX-ZCFIWIBFSA-N 1 3 350.206 0.965 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC001218772182 855477474 /nfs/dbraw/zinc/47/74/74/855477474.db2.gz KIPPBUGEYUOKMV-RYUDHWBXSA-N 1 3 358.393 0.664 20 0 FCADHO NC(=O)c1cc(Br)ccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218844399 855484817 /nfs/dbraw/zinc/48/48/17/855484817.db2.gz VRESWFQVCFNDSQ-LBPRGKRZSA-N 1 3 355.236 0.813 20 0 FCADHO O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219565604 855717165 /nfs/dbraw/zinc/71/71/65/855717165.db2.gz KRCRZKJCWOCVPO-LBPRGKRZSA-N 1 3 350.854 0.024 20 0 FCADHO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)CNCC2 ZINC001219843923 855843173 /nfs/dbraw/zinc/84/31/73/855843173.db2.gz FSCDXABSJBPGMI-SJCJKPOMSA-N 1 3 351.472 0.519 20 0 FCADHO CN(C)Cc1nc(CSCCNC(=O)[C@H]2C[NH2+]CC23CNC3)cs1 ZINC001220128557 855973859 /nfs/dbraw/zinc/97/38/59/855973859.db2.gz JLFQAMUQXQCFOB-CYBMUJFWSA-N 1 3 369.560 0.363 20 0 FCADHO CC(C)OCCC[N@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1 ZINC001220224224 856020121 /nfs/dbraw/zinc/02/01/21/856020121.db2.gz DPLGSRXXCHUCIJ-CVEARBPZSA-N 1 3 353.463 0.931 20 0 FCADHO CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)[C@@H](O)C1 ZINC001220224224 856020130 /nfs/dbraw/zinc/02/01/30/856020130.db2.gz DPLGSRXXCHUCIJ-CVEARBPZSA-N 1 3 353.463 0.931 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NC1CCN(c2ncccc2Cl)CC1 ZINC001220304272 856055099 /nfs/dbraw/zinc/05/50/99/856055099.db2.gz WUEVVXTXDLVYMT-ZDUSSCGKSA-N 1 3 357.911 0.839 20 0 FCADHO CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ncc(Br)[n-]c1=O ZINC001220398660 856106662 /nfs/dbraw/zinc/10/66/62/856106662.db2.gz ICETXFQRXKEOOQ-VIFPVBQESA-N 1 3 360.256 0.967 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCNC1 ZINC001220521608 856165139 /nfs/dbraw/zinc/16/51/39/856165139.db2.gz JVVBNAGFXPEOQX-FZKQIMNGSA-N 1 3 351.447 0.462 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220690033 856245077 /nfs/dbraw/zinc/24/50/77/856245077.db2.gz OPEJPXQLLACXKW-HOTGVXAUSA-N 1 3 364.515 0.561 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220935892 856385161 /nfs/dbraw/zinc/38/51/61/856385161.db2.gz AAUGALMVZPSDNK-XGUBFFRZSA-N 1 3 374.551 0.092 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221003725 856418401 /nfs/dbraw/zinc/41/84/01/856418401.db2.gz FJNCARSIBGLQAG-KWQMQONOSA-N 1 3 352.504 0.776 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001221073459 856450253 /nfs/dbraw/zinc/45/02/53/856450253.db2.gz XLTBBDGWSUMART-SQNIBIBYSA-N 1 3 353.507 0.839 20 0 FCADHO O=C(NCC1(CC2CCC2)CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221128272 856473848 /nfs/dbraw/zinc/47/38/48/856473848.db2.gz LPCJEBQJYSLFRB-HNNXBMFYSA-N 1 3 369.531 0.439 20 0 FCADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221359047 856554796 /nfs/dbraw/zinc/55/47/96/856554796.db2.gz ZWVVZWUIHPAPLI-HZPDHXFCSA-N 1 3 352.523 0.724 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221366527 856555572 /nfs/dbraw/zinc/55/55/72/856555572.db2.gz OUUMIPMNTHJGOA-VNHYZAJKSA-N 1 3 351.426 0.125 20 0 FCADHO COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505620 856921416 /nfs/dbraw/zinc/92/14/16/856921416.db2.gz KUQBBLAVYYUICN-KURKYZTESA-N 1 3 353.507 0.914 20 0 FCADHO COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505620 856921422 /nfs/dbraw/zinc/92/14/22/856921422.db2.gz KUQBBLAVYYUICN-KURKYZTESA-N 1 3 353.507 0.914 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226296712 857096393 /nfs/dbraw/zinc/09/63/93/857096393.db2.gz NDRRKFWXRGKDMJ-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001227150171 857145504 /nfs/dbraw/zinc/14/55/04/857145504.db2.gz LLTJPRKSSJVEKN-MGPQQGTHSA-N 1 3 352.479 0.539 20 0 FCADHO COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001227613807 857166769 /nfs/dbraw/zinc/16/67/69/857166769.db2.gz NFXOWHUBHBVXGD-CBYDULDESA-N 1 3 351.491 0.903 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001228445929 857209655 /nfs/dbraw/zinc/20/96/55/857209655.db2.gz XPSZBVBGORGGKM-RBSFLKMASA-N 1 3 362.540 0.139 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC ZINC001229859840 857290189 /nfs/dbraw/zinc/29/01/89/857290189.db2.gz FFTCYJNHKJHPKT-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229868823 857290511 /nfs/dbraw/zinc/29/05/11/857290511.db2.gz PLYXSIZHDKBJLT-HUUCEWRRSA-N 1 3 362.540 0.237 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001230274831 857322727 /nfs/dbraw/zinc/32/27/27/857322727.db2.gz NXYYTVDLFMJYFL-BRWVUGGUSA-N 1 3 351.495 0.601 20 0 FCADHO CC1(C)[NH2+]C[C@@H](CN2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)O1 ZINC001235499089 857426044 /nfs/dbraw/zinc/42/60/44/857426044.db2.gz YFVDTNJYNCGDGA-QKPAOTATSA-N 1 3 353.463 0.459 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cccc2nonc21 ZINC001238239568 857465357 /nfs/dbraw/zinc/46/53/57/857465357.db2.gz DQSBRNAEAFECEQ-NSHDSACASA-N 1 3 351.432 0.375 20 0 FCADHO NCCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001239082511 857510685 /nfs/dbraw/zinc/51/06/85/857510685.db2.gz XGQTVXFMXGQDEC-IKGGRYGDSA-N 1 3 367.519 0.346 20 0 FCADHO NCCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001239082511 857510691 /nfs/dbraw/zinc/51/06/91/857510691.db2.gz XGQTVXFMXGQDEC-IKGGRYGDSA-N 1 3 367.519 0.346 20 0 FCADHO NCCC[NH2+]CCCNC(=S)Nc1ccc(N2CCOCC2)nc1 ZINC001239396574 857527553 /nfs/dbraw/zinc/52/75/53/857527553.db2.gz JNJCNEPIPJFXII-UHFFFAOYSA-N 1 3 352.508 0.533 20 0 FCADHO C[C@H]1C[C@@H](N2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700545 857592592 /nfs/dbraw/zinc/59/25/92/857592592.db2.gz GYBYYHGOGWDTHS-LVEJAMMSSA-N 1 3 351.491 0.998 20 0 FCADHO C[NH+](C)CCNC(=S)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001249833741 857650488 /nfs/dbraw/zinc/65/04/88/857650488.db2.gz XJHMRZNFDKHVRK-DLBZAZTESA-N 1 3 363.531 0.793 20 0 FCADHO CCN(CC)C[C@H](O)C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209383 857872740 /nfs/dbraw/zinc/87/27/40/857872740.db2.gz BDUOTYRDZOPLTI-ZIAGYGMSSA-N 1 3 361.483 0.735 20 0 FCADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001279590623 862970605 /nfs/dbraw/zinc/97/06/05/862970605.db2.gz FYINNKURYFZOIJ-LJQANCHMSA-N 1 3 354.539 0.829 20 0 FCADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001279590623 862970617 /nfs/dbraw/zinc/97/06/17/862970617.db2.gz FYINNKURYFZOIJ-LJQANCHMSA-N 1 3 354.539 0.829 20 0 FCADHO CN1CCC[C@@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001254515667 857976477 /nfs/dbraw/zinc/97/64/77/857976477.db2.gz ANQUKALJBNDPKW-OAHLLOKOSA-N 1 3 352.504 0.859 20 0 FCADHO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CCCN(C)CC2)S(C)(=O)=O)cn1 ZINC001254519667 857977215 /nfs/dbraw/zinc/97/72/15/857977215.db2.gz UPPWKQASPIKBHC-YESZJQIVSA-N 1 3 369.535 0.439 20 0 FCADHO COC(=O)[C@H](C[NH3+])CN[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685764 857980935 /nfs/dbraw/zinc/98/09/35/857980935.db2.gz IXHAIVCPIJNZAG-NEPJUHHUSA-N 1 3 359.492 0.819 20 0 FCADHO CC[NH+](CC)CCCN1CCN([C@H](C)CC(=O)N2CCOCC2)CC1 ZINC001256344749 858071486 /nfs/dbraw/zinc/07/14/86/858071486.db2.gz PGPPJUUEHLULOV-GOSISDBHSA-N 1 3 354.539 0.973 20 0 FCADHO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622417 858093871 /nfs/dbraw/zinc/09/38/71/858093871.db2.gz ANQGQABRKOTHKE-XTMPTPMBSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256622417 858093872 /nfs/dbraw/zinc/09/38/72/858093872.db2.gz ANQGQABRKOTHKE-XTMPTPMBSA-N 1 3 351.491 0.998 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC001258150016 858180124 /nfs/dbraw/zinc/18/01/24/858180124.db2.gz WPVFWCGLZHPSLW-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001261727009 858648679 /nfs/dbraw/zinc/64/86/79/858648679.db2.gz JPMNXPNYZBDSDG-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001261727009 858648684 /nfs/dbraw/zinc/64/86/84/858648684.db2.gz JPMNXPNYZBDSDG-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831551 860274884 /nfs/dbraw/zinc/27/48/84/860274884.db2.gz NRLRYXSRMAOJIZ-VQIMIIECSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001273192993 860406340 /nfs/dbraw/zinc/40/63/40/860406340.db2.gz VPZRKYQYYIFOIS-FCEWJHQRSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001273512703 860515602 /nfs/dbraw/zinc/51/56/02/860515602.db2.gz WWTFWMXONICLGD-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001273512703 860515605 /nfs/dbraw/zinc/51/56/05/860515605.db2.gz WWTFWMXONICLGD-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515310 861118809 /nfs/dbraw/zinc/11/88/09/861118809.db2.gz KATLWIGJCUZEHP-LJQANCHMSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC001275515310 861118814 /nfs/dbraw/zinc/11/88/14/861118814.db2.gz KATLWIGJCUZEHP-LJQANCHMSA-N 1 3 352.523 0.583 20 0 FCADHO CS(=O)(=O)CCNC(=O)C12CC(NCCC[NH+]3CCCCC3)(C1)C2 ZINC001279844750 863097415 /nfs/dbraw/zinc/09/74/15/863097415.db2.gz SJUFAUTXHXLVTR-UHFFFAOYSA-N 1 3 357.520 0.536 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001279976190 863163036 /nfs/dbraw/zinc/16/30/36/863163036.db2.gz ZKGKKMYLNVBJDY-UHFFFAOYSA-N 1 3 355.552 0.299 20 0 FCADHO Cn1cnc(S(=O)(=O)N2CC3(C2)CCN(C2CC[NH+](C)CC2)CC3)c1 ZINC001280071791 863241730 /nfs/dbraw/zinc/24/17/30/863241730.db2.gz YFPZGVXXRYLYAV-UHFFFAOYSA-N 1 3 367.519 0.601 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2COCCC23CN(C[C@@H]2CCCO2)C3)CC1 ZINC001280191049 863319834 /nfs/dbraw/zinc/31/98/34/863319834.db2.gz CELQMWOOTKQOPJ-DLBZAZTESA-N 1 3 351.491 0.714 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001281848911 863820530 /nfs/dbraw/zinc/82/05/30/863820530.db2.gz YAFCZVKBSHIYJY-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(C(=O)CN(C)C2CCC2)C2CC2)CC[N@@H+]1C ZINC001284737928 864594752 /nfs/dbraw/zinc/59/47/52/864594752.db2.gz ZGNCNFVVFUAKAV-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(C(=O)CN(C)C2CCC2)C2CC2)CC[N@H+]1C ZINC001284737928 864594758 /nfs/dbraw/zinc/59/47/58/864594758.db2.gz ZGNCNFVVFUAKAV-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001288988447 864839557 /nfs/dbraw/zinc/83/95/57/864839557.db2.gz DHICGDNCCJHWNY-HRCADAONSA-N 1 3 350.507 0.728 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001289816102 865288477 /nfs/dbraw/zinc/28/84/77/865288477.db2.gz KXMPIVNCOHLXBZ-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001293091610 865775717 /nfs/dbraw/zinc/77/57/17/865775717.db2.gz GAPDCJZDNKCRTQ-GOSISDBHSA-N 1 3 350.511 0.828 20 0 FCADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001293091610 865775720 /nfs/dbraw/zinc/77/57/20/865775720.db2.gz GAPDCJZDNKCRTQ-GOSISDBHSA-N 1 3 350.511 0.828 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC001351364966 866841139 /nfs/dbraw/zinc/84/11/39/866841139.db2.gz VWKSXJKYZWDMAT-CABCVRRESA-N 1 3 350.467 0.508 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCCN1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001353188277 867371766 /nfs/dbraw/zinc/37/17/66/867371766.db2.gz NCMFUZULXRWLTL-OAHLLOKOSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CCS(C)(=O)=O)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001319158268 867841820 /nfs/dbraw/zinc/84/18/20/867841820.db2.gz UMYORVMZKCXPNZ-CQSZACIVSA-N 1 3 374.551 0.667 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC001357365669 868105097 /nfs/dbraw/zinc/10/50/97/868105097.db2.gz CNYGYBGQPDATRN-HUUCEWRRSA-N 1 3 352.479 0.891 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)CC[NH2+]CC2 ZINC001326142799 870183402 /nfs/dbraw/zinc/18/34/02/870183402.db2.gz QGVWUALWOVJEOL-RDTXWAMCSA-N 1 3 368.547 0.531 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001346265017 871737326 /nfs/dbraw/zinc/73/73/26/871737326.db2.gz RTZNBFVSMILSBK-JKSUJKDBSA-N 1 3 353.511 0.761 20 0 FCADHO C[NH+](C)C[C@@](C)(O)CNC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289648 871753658 /nfs/dbraw/zinc/75/36/58/871753658.db2.gz WWLZQIBNZQXHKV-QAPCUYQASA-N 1 3 359.511 0.897 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC001329434152 872024577 /nfs/dbraw/zinc/02/45/77/872024577.db2.gz PQAMFVKQXOJARH-SCZZXKLOSA-N 1 3 362.356 0.310 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001348603518 872737852 /nfs/dbraw/zinc/73/78/52/872737852.db2.gz DGZSDYYKNMFJDI-AWEZNQCLSA-N 1 3 352.454 0.830 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001348603520 872739517 /nfs/dbraw/zinc/73/95/17/872739517.db2.gz DGZSDYYKNMFJDI-CQSZACIVSA-N 1 3 352.454 0.830 20 0 FCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574704055 949366589 /nfs/dbraw/zinc/36/65/89/949366589.db2.gz JZZREAFJEKYYBE-AWEZNQCLSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574704055 949366609 /nfs/dbraw/zinc/36/66/09/949366609.db2.gz JZZREAFJEKYYBE-AWEZNQCLSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908120 950350603 /nfs/dbraw/zinc/35/06/03/950350603.db2.gz AKSGOHCKYDNFLR-CZUORRHYSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908120 950350619 /nfs/dbraw/zinc/35/06/19/950350619.db2.gz AKSGOHCKYDNFLR-CZUORRHYSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908119 950351856 /nfs/dbraw/zinc/35/18/56/950351856.db2.gz AKSGOHCKYDNFLR-CJNGLKHVSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908119 950351877 /nfs/dbraw/zinc/35/18/77/950351877.db2.gz AKSGOHCKYDNFLR-CJNGLKHVSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909609 950406184 /nfs/dbraw/zinc/40/61/84/950406184.db2.gz ZOKPAGBOKUCAGR-CZUORRHYSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082212 951731319 /nfs/dbraw/zinc/73/13/19/951731319.db2.gz VUSQCWGPSVFNMX-LBPRGKRZSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082212 951731325 /nfs/dbraw/zinc/73/13/25/951731325.db2.gz VUSQCWGPSVFNMX-LBPRGKRZSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CC[NH+](C)C ZINC001575082223 951731953 /nfs/dbraw/zinc/73/19/53/951731953.db2.gz VXXILBFWBFMGBU-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CC[NH+](C)C ZINC001575082223 951731961 /nfs/dbraw/zinc/73/19/61/951731961.db2.gz VXXILBFWBFMGBU-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575109561 951931871 /nfs/dbraw/zinc/93/18/71/951931871.db2.gz SMSKOZRZGKHHIU-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575109561 951931874 /nfs/dbraw/zinc/93/18/74/951931874.db2.gz SMSKOZRZGKHHIU-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575109561 951931878 /nfs/dbraw/zinc/93/18/78/951931878.db2.gz SMSKOZRZGKHHIU-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575109561 951931884 /nfs/dbraw/zinc/93/18/84/951931884.db2.gz SMSKOZRZGKHHIU-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410441415 529907730 /nfs/dbraw/zinc/90/77/30/529907730.db2.gz YMUYEDVEWGSWMT-KRWDZBQOSA-N 1 3 350.507 0.731 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482550 215003955 /nfs/dbraw/zinc/00/39/55/215003955.db2.gz BAJVAFQRKZRTRJ-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000331482550 215003956 /nfs/dbraw/zinc/00/39/56/215003956.db2.gz BAJVAFQRKZRTRJ-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562849 215015610 /nfs/dbraw/zinc/01/56/10/215015610.db2.gz SKKUKRAWWWLETD-IIDMSEBBSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562849 215015612 /nfs/dbraw/zinc/01/56/12/215015612.db2.gz SKKUKRAWWWLETD-IIDMSEBBSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562848 215016141 /nfs/dbraw/zinc/01/61/41/215016141.db2.gz SKKUKRAWWWLETD-HDMKZQKVSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562848 215016143 /nfs/dbraw/zinc/01/61/43/215016143.db2.gz SKKUKRAWWWLETD-HDMKZQKVSA-N 1 3 368.547 0.483 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000331697267 215036466 /nfs/dbraw/zinc/03/64/66/215036466.db2.gz WXFZZZLGLCRJFS-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331697267 215036468 /nfs/dbraw/zinc/03/64/68/215036468.db2.gz WXFZZZLGLCRJFS-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000332028198 215081734 /nfs/dbraw/zinc/08/17/34/215081734.db2.gz XYPQNPFIEACXLU-UXLLHSPISA-N 1 3 366.506 0.202 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000332059761 215084994 /nfs/dbraw/zinc/08/49/94/215084994.db2.gz XGBSKAMWKMQWRX-IKGGRYGDSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@@H]21 ZINC000332059761 215084998 /nfs/dbraw/zinc/08/49/98/215084998.db2.gz XGBSKAMWKMQWRX-IKGGRYGDSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000332325363 215130842 /nfs/dbraw/zinc/13/08/42/215130842.db2.gz XEIRNPHXKAJBAF-MPTYRVRUSA-N 1 3 366.506 0.140 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@H]1[NH3+] ZINC000332325356 215131049 /nfs/dbraw/zinc/13/10/49/215131049.db2.gz XEIRNPHXKAJBAF-LJIGWXMPSA-N 1 3 366.506 0.140 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334827 215133007 /nfs/dbraw/zinc/13/30/07/215133007.db2.gz VNXJZVYKCULIQX-SPUZQDLCSA-N 1 3 358.486 0.738 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334827 215133009 /nfs/dbraw/zinc/13/30/09/215133009.db2.gz VNXJZVYKCULIQX-SPUZQDLCSA-N 1 3 358.486 0.738 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332462427 215156793 /nfs/dbraw/zinc/15/67/93/215156793.db2.gz JPDGJKKMVWGJBF-OWCLPIDISA-N 1 3 351.495 0.452 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332592755 215186732 /nfs/dbraw/zinc/18/67/32/215186732.db2.gz MIXMSDYVRRBAQT-DOTOQJQBSA-N 1 3 350.507 0.918 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000333258751 215256364 /nfs/dbraw/zinc/25/63/64/215256364.db2.gz DOSBWVNNXMWMDM-ZBFHGGJFSA-N 1 3 359.478 0.834 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@@H]21 ZINC000333258751 215256365 /nfs/dbraw/zinc/25/63/65/215256365.db2.gz DOSBWVNNXMWMDM-ZBFHGGJFSA-N 1 3 359.478 0.834 20 0 FCADHO CC(C)N1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333486567 215288022 /nfs/dbraw/zinc/28/80/22/215288022.db2.gz CSXPPMHKRSFDRQ-CQSZACIVSA-N 1 3 365.444 0.948 20 0 FCADHO C[C@H]1NC(=O)N(CCN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803948 215319496 /nfs/dbraw/zinc/31/94/96/215319496.db2.gz DXASZPAVTMZASM-QLFBSQMISA-N 1 3 352.479 0.748 20 0 FCADHO C[C@H]1NC(=O)N(CCN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803948 215319499 /nfs/dbraw/zinc/31/94/99/215319499.db2.gz DXASZPAVTMZASM-QLFBSQMISA-N 1 3 352.479 0.748 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000333885991 215328448 /nfs/dbraw/zinc/32/84/48/215328448.db2.gz VWYPWVYNWNWCBS-KRWDZBQOSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000333885991 215328451 /nfs/dbraw/zinc/32/84/51/215328451.db2.gz VWYPWVYNWNWCBS-KRWDZBQOSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000284441635 213140573 /nfs/dbraw/zinc/14/05/73/213140573.db2.gz LQVZNAUBHBHKLX-UHFFFAOYSA-N 1 3 350.463 0.263 20 0 FCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413886448 237393957 /nfs/dbraw/zinc/39/39/57/237393957.db2.gz URTDQBWMQUCKHJ-IRXDYDNUSA-N 1 3 352.523 0.772 20 0 FCADHO C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CN4CCN3CCC4)ccc2oc1=O ZINC000367051884 216068275 /nfs/dbraw/zinc/06/82/75/216068275.db2.gz FPBWGCNFEZANKO-MRXNPFEDSA-N 1 3 373.457 0.485 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)CN1CCN(C)CC1 ZINC000246535154 209390322 /nfs/dbraw/zinc/39/03/22/209390322.db2.gz AMLCNHZNBVJYNY-FGTMMUONSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)CN1CCN(C)CC1 ZINC000246535154 209390326 /nfs/dbraw/zinc/39/03/26/209390326.db2.gz AMLCNHZNBVJYNY-FGTMMUONSA-N 1 3 351.539 0.996 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000237946476 209361401 /nfs/dbraw/zinc/36/14/01/209361401.db2.gz DZOJZKUYFWFYMO-INIZCTEOSA-N 1 3 366.506 0.335 20 0 FCADHO COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000369333351 216384208 /nfs/dbraw/zinc/38/42/08/216384208.db2.gz BMHXCJKPBYHPPG-HKUYNNGSSA-N 1 3 357.539 0.889 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415312707 245384049 /nfs/dbraw/zinc/38/40/49/245384049.db2.gz GVXYVSUUZIWKJA-GOSISDBHSA-N 1 3 373.501 0.631 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)CN1CCN(C)CC1 ZINC000183088028 209140054 /nfs/dbraw/zinc/14/00/54/209140054.db2.gz BLJBTMDFMAQAFD-SQNIBIBYSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)CN1CCN(C)CC1 ZINC000183088028 209140058 /nfs/dbraw/zinc/14/00/58/209140058.db2.gz BLJBTMDFMAQAFD-SQNIBIBYSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C)CN1 ZINC000417363654 245686702 /nfs/dbraw/zinc/68/67/02/245686702.db2.gz GIRLMUTVEBCSSN-IAGOWNOFSA-N 1 3 360.506 0.986 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419151138 246018952 /nfs/dbraw/zinc/01/89/52/246018952.db2.gz NDHGZJIOIHGATA-XJKSGUPXSA-N 1 3 364.515 0.930 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419153332 246020449 /nfs/dbraw/zinc/02/04/49/246020449.db2.gz PJWGCJWTHFUBQQ-SJORKVTESA-N 1 3 374.485 0.596 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419154328 246020501 /nfs/dbraw/zinc/02/05/01/246020501.db2.gz RHCHIAATADTGKF-KGLIPLIRSA-N 1 3 352.504 0.787 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419158834 246024796 /nfs/dbraw/zinc/02/47/96/246024796.db2.gz YLBIVIZUEVAFBG-MRXNPFEDSA-N 1 3 362.474 0.583 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000419137065 246011595 /nfs/dbraw/zinc/01/15/95/246011595.db2.gz PXXCZPYLBHEGCG-AWEZNQCLSA-N 1 3 362.474 0.487 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419141829 246013562 /nfs/dbraw/zinc/01/35/62/246013562.db2.gz XLDOWXPPINRXCU-CYBMUJFWSA-N 1 3 352.504 0.930 20 0 FCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419146833 246015899 /nfs/dbraw/zinc/01/58/99/246015899.db2.gz IQWJVHYNMRMQSS-KBPBESRZSA-N 1 3 350.488 0.554 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168999 246030571 /nfs/dbraw/zinc/03/05/71/246030571.db2.gz TXYUXXUKYUBUKA-ROUUACIJSA-N 1 3 374.485 0.262 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419171376 246032612 /nfs/dbraw/zinc/03/26/12/246032612.db2.gz XNYPSIVZNBFEDF-ZWKOTPCHSA-N 1 3 374.485 0.247 20 0 FCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419174862 246034922 /nfs/dbraw/zinc/03/49/22/246034922.db2.gz WVRBBEOVVUACLV-CEXWTWQISA-N 1 3 372.513 0.937 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000419196452 246046293 /nfs/dbraw/zinc/04/62/93/246046293.db2.gz BAUMBNBGODEFPL-ZBFHGGJFSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221871 246062019 /nfs/dbraw/zinc/06/20/19/246062019.db2.gz AWMUEZXXZWEKRR-GDAAHCPNSA-N 1 3 370.497 0.691 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419223443 246062865 /nfs/dbraw/zinc/06/28/65/246062865.db2.gz CYOBNQLIYGSBQM-BPQIPLTHSA-N 1 3 374.485 0.199 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329487 246100872 /nfs/dbraw/zinc/10/08/72/246100872.db2.gz GJYVIBDYPFAKLL-VIBAHUMZSA-N 1 3 356.470 0.539 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H]1C[NH3+] ZINC000419372111 246122837 /nfs/dbraw/zinc/12/28/37/246122837.db2.gz KHGLQXWZFPKEMZ-YJBOKZPZSA-N 1 3 372.513 0.788 20 0 FCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419371620 246123399 /nfs/dbraw/zinc/12/33/99/246123399.db2.gz IZLGOLITNWCRNZ-QGZVFWFLSA-N 1 3 360.502 0.836 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419375807 246124523 /nfs/dbraw/zinc/12/45/23/246124523.db2.gz RGDORGRZXOPRRN-RHSMWYFYSA-N 1 3 358.486 0.398 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419380708 246125507 /nfs/dbraw/zinc/12/55/07/246125507.db2.gz XJIWOFILKVBWEY-HNNXBMFYSA-N 1 3 358.486 0.318 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000419376300 246125684 /nfs/dbraw/zinc/12/56/84/246125684.db2.gz RXNRUFJOUBVMOJ-QGZVFWFLSA-N 1 3 358.486 0.460 20 0 FCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419420695 246153853 /nfs/dbraw/zinc/15/38/53/246153853.db2.gz KFUOQYQVRUDNFK-QAPCUYQASA-N 1 3 358.486 0.795 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000419428135 246159829 /nfs/dbraw/zinc/15/98/29/246159829.db2.gz SRKONXIKSZVIGI-SJORKVTESA-N 1 3 360.458 0.126 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@H](CN)C1 ZINC000419479847 246178215 /nfs/dbraw/zinc/17/82/15/246178215.db2.gz MAJLVARFLGGUAA-IRXDYDNUSA-N 1 3 368.522 0.579 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419647816 246228611 /nfs/dbraw/zinc/22/86/11/246228611.db2.gz LSYHCUSBFFPMRZ-RPVQJOFSSA-N 1 3 374.460 0.679 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419647816 246228617 /nfs/dbraw/zinc/22/86/17/246228617.db2.gz LSYHCUSBFFPMRZ-RPVQJOFSSA-N 1 3 374.460 0.679 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650621 246231809 /nfs/dbraw/zinc/23/18/09/246231809.db2.gz OGHIYXJULDLNER-FHLIZLRMSA-N 1 3 356.470 0.540 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000419650621 246231815 /nfs/dbraw/zinc/23/18/15/246231815.db2.gz OGHIYXJULDLNER-FHLIZLRMSA-N 1 3 356.470 0.540 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CCCC2)CC1 ZINC000419750887 246281528 /nfs/dbraw/zinc/28/15/28/246281528.db2.gz JLNVPCRYVMAUDW-MRXNPFEDSA-N 1 3 368.522 0.626 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000419750596 246281563 /nfs/dbraw/zinc/28/15/63/246281563.db2.gz IZUCIQNAIHTACT-OAHLLOKOSA-N 1 3 366.506 0.394 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419760240 246289736 /nfs/dbraw/zinc/28/97/36/246289736.db2.gz ZAFHWXSEXRRAPI-UHFFFAOYSA-N 1 3 368.522 0.594 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419866948 246334861 /nfs/dbraw/zinc/33/48/61/246334861.db2.gz QFBDXRJIAKZHSB-MRXNPFEDSA-N 1 3 350.438 0.569 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419866947 246335674 /nfs/dbraw/zinc/33/56/74/246335674.db2.gz QFBDXRJIAKZHSB-INIZCTEOSA-N 1 3 350.438 0.569 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419916374 246368843 /nfs/dbraw/zinc/36/88/43/246368843.db2.gz QPEFBHKFNUBXEK-AWEZNQCLSA-N 1 3 352.504 0.754 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419933562 246376652 /nfs/dbraw/zinc/37/66/52/246376652.db2.gz FGHQZJNINMGVIO-SJORKVTESA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901508 246359158 /nfs/dbraw/zinc/35/91/58/246359158.db2.gz UCITYINKWOZEOQ-OAHLLOKOSA-N 1 3 368.428 0.723 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000419908554 246363033 /nfs/dbraw/zinc/36/30/33/246363033.db2.gz YQGIGBCKGAQRFU-HRCADAONSA-N 1 3 354.495 0.060 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419960553 246388529 /nfs/dbraw/zinc/38/85/29/246388529.db2.gz FHJDQVSPJULNDI-KRWDZBQOSA-N 1 3 368.522 0.315 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419960553 246388536 /nfs/dbraw/zinc/38/85/36/246388536.db2.gz FHJDQVSPJULNDI-KRWDZBQOSA-N 1 3 368.522 0.315 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419962953 246389729 /nfs/dbraw/zinc/38/97/29/246389729.db2.gz VOXFMNCCTJNDFU-KRWDZBQOSA-N 1 3 360.502 0.865 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423170434 246971039 /nfs/dbraw/zinc/97/10/39/246971039.db2.gz LWODEUJRAQPREF-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423368842 247013869 /nfs/dbraw/zinc/01/38/69/247013869.db2.gz NRLSZZJYPASEIY-AWEZNQCLSA-N 1 3 352.504 0.849 20 0 FCADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423583544 247061988 /nfs/dbraw/zinc/06/19/88/247061988.db2.gz KJCHZYBQIASDOE-HNNXBMFYSA-N 1 3 368.522 0.532 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC000423581567 247062620 /nfs/dbraw/zinc/06/26/20/247062620.db2.gz VKIVIASFBSHAAK-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423583825 247063112 /nfs/dbraw/zinc/06/31/12/247063112.db2.gz BADHLBJNUNOHHZ-HNNXBMFYSA-N 1 3 368.503 0.215 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+])Cc1ccco1 ZINC000423619709 247079344 /nfs/dbraw/zinc/07/93/44/247079344.db2.gz IQMWLBFTJLJVCT-HNNXBMFYSA-N 1 3 350.463 0.900 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423730638 247130193 /nfs/dbraw/zinc/13/01/93/247130193.db2.gz NKEZYHOMOBDMRN-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423730386 247131395 /nfs/dbraw/zinc/13/13/95/247131395.db2.gz XWNPCGKWKPQHRQ-BZUAXINKSA-N 1 3 368.522 0.530 20 0 FCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492659 247237388 /nfs/dbraw/zinc/23/73/88/247237388.db2.gz IREKGXKHAIUGBU-FGTMMUONSA-N 1 3 356.470 0.527 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424493097 247237479 /nfs/dbraw/zinc/23/74/79/247237479.db2.gz JMOKUXPYQHWFAS-CEXWTWQISA-N 1 3 370.497 0.787 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000436062489 248031014 /nfs/dbraw/zinc/03/10/14/248031014.db2.gz RJGDEWVNNWZBAB-HNNXBMFYSA-N 1 3 372.469 0.992 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000440972903 248227353 /nfs/dbraw/zinc/22/73/53/248227353.db2.gz NUHJHEBRGOCQBU-INMHGKMJSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[N@H+]1C1CC1 ZINC000440972903 248227356 /nfs/dbraw/zinc/22/73/56/248227356.db2.gz NUHJHEBRGOCQBU-INMHGKMJSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758671 248295273 /nfs/dbraw/zinc/29/52/73/248295273.db2.gz BDWYTLHKPTYAFX-DZGCQCFKSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758671 248295275 /nfs/dbraw/zinc/29/52/75/248295275.db2.gz BDWYTLHKPTYAFX-DZGCQCFKSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758671 248295276 /nfs/dbraw/zinc/29/52/76/248295276.db2.gz BDWYTLHKPTYAFX-DZGCQCFKSA-N 1 3 368.503 0.052 20 0 FCADHO CN1CCN(CC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1(C)C ZINC000442878698 248299291 /nfs/dbraw/zinc/29/92/91/248299291.db2.gz ZQKQRZIZAQFUAS-UHFFFAOYSA-N 1 3 367.582 0.399 20 0 FCADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000444353836 248355964 /nfs/dbraw/zinc/35/59/64/248355964.db2.gz RXYNTKJNVTXUPE-CRAIPNDOSA-N 1 3 353.507 0.933 20 0 FCADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000444353836 248355965 /nfs/dbraw/zinc/35/59/65/248355965.db2.gz RXYNTKJNVTXUPE-CRAIPNDOSA-N 1 3 353.507 0.933 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445878876 248378807 /nfs/dbraw/zinc/37/88/07/248378807.db2.gz WWLMJWSSPJYNRO-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446615835 248392227 /nfs/dbraw/zinc/39/22/27/248392227.db2.gz RMBUIGQTNFZKAN-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCOCC2 ZINC000469783022 250003513 /nfs/dbraw/zinc/00/35/13/250003513.db2.gz IQTXKOWGRWPVLY-RTBURBONSA-N 1 3 369.550 0.940 20 0 FCADHO CC(C)N1CCN(C2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471662131 250114610 /nfs/dbraw/zinc/11/46/10/250114610.db2.gz JPCPRZJJPFKKDI-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000089393413 208122308 /nfs/dbraw/zinc/12/23/08/208122308.db2.gz NHMPGCTYIIRSTM-QGZVFWFLSA-N 1 3 373.501 0.824 20 0 FCADHO COCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089896001 208125505 /nfs/dbraw/zinc/12/55/05/208125505.db2.gz RJPKYIJSOJVRDG-MSOLQXFVSA-N 1 3 364.490 0.499 20 0 FCADHO COCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089896001 208125510 /nfs/dbraw/zinc/12/55/10/208125510.db2.gz RJPKYIJSOJVRDG-MSOLQXFVSA-N 1 3 364.490 0.499 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000177890898 209037244 /nfs/dbraw/zinc/03/72/44/209037244.db2.gz GYMLDKHJRBWLPV-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO NC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000179032652 209070138 /nfs/dbraw/zinc/07/01/38/209070138.db2.gz KEYSQRDLTMYUNZ-NJAFHUGGSA-N 1 3 358.486 0.836 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156162566 229190443 /nfs/dbraw/zinc/19/04/43/229190443.db2.gz GQVMOIUYBRGIHY-QZTJIDSGSA-N 1 3 370.538 0.974 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)n1 ZINC000178763973 229224447 /nfs/dbraw/zinc/22/44/47/229224447.db2.gz WGGMDFPAKDJKLM-UHFFFAOYSA-N 1 3 350.467 0.375 20 0 FCADHO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000187334721 229239632 /nfs/dbraw/zinc/23/96/32/229239632.db2.gz OJXLWTJWWZDVCG-INIZCTEOSA-N 1 3 369.554 0.499 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000475452872 484302092 /nfs/dbraw/zinc/30/20/92/484302092.db2.gz VVUWSOLQLBEUHR-UHFFFAOYSA-N 1 3 350.467 0.374 20 0 FCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000562800564 491189517 /nfs/dbraw/zinc/18/95/17/491189517.db2.gz GEHIDJROOQQTGP-INIZCTEOSA-N 1 3 369.579 0.941 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278968269 488907698 /nfs/dbraw/zinc/90/76/98/488907698.db2.gz IQYDEIFLMKVBEI-BBRMVZONSA-N 1 3 362.478 0.159 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364232367 488938554 /nfs/dbraw/zinc/93/85/54/488938554.db2.gz YUJWBXZJVQMXBU-IYBDPMFKSA-N 1 3 369.506 0.877 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)CC1 ZINC000050800636 488115398 /nfs/dbraw/zinc/11/53/98/488115398.db2.gz TVDVBYVECZDUKT-CQSZACIVSA-N 1 3 351.495 0.452 20 0 FCADHO CC(C)C(=O)NCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051267906 488129153 /nfs/dbraw/zinc/12/91/53/488129153.db2.gz BISBOHJBFGJRMZ-UHFFFAOYSA-N 1 3 353.511 0.616 20 0 FCADHO O=C(CN1CCC[C@@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805367 488374197 /nfs/dbraw/zinc/37/41/97/488374197.db2.gz HDFMVHYSZFBZAW-KRWDZBQOSA-N 1 3 364.534 0.774 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O ZINC000073429847 488384688 /nfs/dbraw/zinc/38/46/88/488384688.db2.gz VFSMAEKZCCQPHS-INIZCTEOSA-N 1 3 366.506 0.158 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152717 488388187 /nfs/dbraw/zinc/38/81/87/488388187.db2.gz LNMWDXPJOOXREK-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152717 488388188 /nfs/dbraw/zinc/38/81/88/488388188.db2.gz LNMWDXPJOOXREK-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074223759 488389154 /nfs/dbraw/zinc/38/91/54/488389154.db2.gz JWLKPOPWUCBVAH-QGZVFWFLSA-N 1 3 369.554 0.670 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000074371576 488391691 /nfs/dbraw/zinc/39/16/91/488391691.db2.gz IEOMREFNMYFIIQ-MSOLQXFVSA-N 1 3 369.554 0.528 20 0 FCADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000187372470 488409751 /nfs/dbraw/zinc/40/97/51/488409751.db2.gz OMUDJVHOPSQGQH-SJORKVTESA-N 1 3 356.511 0.368 20 0 FCADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](CO)O1 ZINC000189183293 488414042 /nfs/dbraw/zinc/41/40/42/488414042.db2.gz UOSQFRMKTFUYEN-YOEHRIQHSA-N 1 3 354.495 0.336 20 0 FCADHO CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)N1CCOCC1 ZINC000079100711 488427495 /nfs/dbraw/zinc/42/74/95/488427495.db2.gz CPPDEOXUWABPFF-GOSISDBHSA-N 1 3 369.554 0.668 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCC[C@@H](C)C1 ZINC000246344063 488471787 /nfs/dbraw/zinc/47/17/87/488471787.db2.gz FAQITUCFDDSOQC-HUUCEWRRSA-N 1 3 364.494 0.620 20 0 FCADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249010295 488505347 /nfs/dbraw/zinc/50/53/47/488505347.db2.gz OMUDJVHOPSQGQH-IAGOWNOFSA-N 1 3 356.511 0.368 20 0 FCADHO O=C1[C@H]([NH2+]CCCCN2CCN(CCO)CC2)CCN1c1ccccc1 ZINC000114501885 488540845 /nfs/dbraw/zinc/54/08/45/488540845.db2.gz KGMYYAAQHVOGGU-LJQANCHMSA-N 1 3 360.502 0.772 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122072357 488574771 /nfs/dbraw/zinc/57/47/71/488574771.db2.gz KJSHCWFLZPMKHG-FGTMMUONSA-N 1 3 358.486 0.663 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000124374310 488591845 /nfs/dbraw/zinc/59/18/45/488591845.db2.gz RMRKNUJDXCEGFI-UHFFFAOYSA-N 1 3 354.539 0.877 20 0 FCADHO CN1CCC(C[NH2+]CCC(=O)Nc2cccnc2)(N2CCOCC2)CC1 ZINC000570037597 491211450 /nfs/dbraw/zinc/21/14/50/491211450.db2.gz CCVZSMGNFGQMJH-UHFFFAOYSA-N 1 3 361.490 0.796 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000130589465 488638588 /nfs/dbraw/zinc/63/85/88/488638588.db2.gz SDGWUVPIUTYWGI-UHFFFAOYSA-N 1 3 361.490 0.569 20 0 FCADHO COCC(=O)N[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000132297478 488652691 /nfs/dbraw/zinc/65/26/91/488652691.db2.gz XNAIWUCIRDNFMG-SFHVURJKSA-N 1 3 368.522 0.448 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)n1 ZINC000133577309 488660682 /nfs/dbraw/zinc/66/06/82/488660682.db2.gz QIGUPVZPFHSPCZ-UHFFFAOYSA-N 1 3 372.473 0.761 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000140193445 488686244 /nfs/dbraw/zinc/68/62/44/488686244.db2.gz CSTHVIDHBCCLCX-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000140193445 488686246 /nfs/dbraw/zinc/68/62/46/488686246.db2.gz CSTHVIDHBCCLCX-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1CCN(c2ccncc2)CC1 ZINC000563086539 491214420 /nfs/dbraw/zinc/21/44/20/491214420.db2.gz MWJDATULCRQMRQ-KRWDZBQOSA-N 1 3 359.474 0.673 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000152965834 488724977 /nfs/dbraw/zinc/72/49/77/488724977.db2.gz PKJRXJZYMIKPIY-OAHLLOKOSA-N 1 3 364.494 0.764 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@](C)(O)C[NH+](C)C)CC2)c1 ZINC000153170817 488728139 /nfs/dbraw/zinc/72/81/39/488728139.db2.gz PSIVSMDDGKTYQF-FQEVSTJZSA-N 1 3 362.518 0.936 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000164917390 488810883 /nfs/dbraw/zinc/81/08/83/488810883.db2.gz KOXKWTWCXGUHGI-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000164917390 488810884 /nfs/dbraw/zinc/81/08/84/488810884.db2.gz KOXKWTWCXGUHGI-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000563210638 491227789 /nfs/dbraw/zinc/22/77/89/491227789.db2.gz FUTBSPYUBCLTME-CYBMUJFWSA-N 1 3 355.446 0.886 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCO1 ZINC000365473340 489078907 /nfs/dbraw/zinc/07/89/07/489078907.db2.gz ZXTKVPYTVIIKRV-ZACQAIPSSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCO1 ZINC000365473340 489078910 /nfs/dbraw/zinc/07/89/10/489078910.db2.gz ZXTKVPYTVIIKRV-ZACQAIPSSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCO1 ZINC000365473330 489078997 /nfs/dbraw/zinc/07/89/97/489078997.db2.gz ZXTKVPYTVIIKRV-BRWVUGGUSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCO1 ZINC000365473330 489079000 /nfs/dbraw/zinc/07/90/00/489079000.db2.gz ZXTKVPYTVIIKRV-BRWVUGGUSA-N 1 3 354.495 0.650 20 0 FCADHO C[N@H+](C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778488 489164736 /nfs/dbraw/zinc/16/47/36/489164736.db2.gz MOPBBKYUYLAGPN-YLJYHZDGSA-N 1 3 372.469 0.638 20 0 FCADHO C[N@@H+](C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778488 489164739 /nfs/dbraw/zinc/16/47/39/489164739.db2.gz MOPBBKYUYLAGPN-YLJYHZDGSA-N 1 3 372.469 0.638 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000331385403 489204790 /nfs/dbraw/zinc/20/47/90/489204790.db2.gz KPDDSVVDSZAEND-ZACQAIPSSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000331386330 489204827 /nfs/dbraw/zinc/20/48/27/489204827.db2.gz IAFQLQAPBZAQHA-OWCLPIDISA-N 1 3 350.507 0.681 20 0 FCADHO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)NCCN(C)C ZINC000563402574 491242674 /nfs/dbraw/zinc/24/26/74/491242674.db2.gz BBUBLCWWWBFEKG-ZFWWWQNUSA-N 1 3 356.536 0.386 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820627 489279098 /nfs/dbraw/zinc/27/90/98/489279098.db2.gz CHSLUMQYJBPXJB-DLBZAZTESA-N 1 3 353.511 0.129 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820627 489279101 /nfs/dbraw/zinc/27/91/01/489279101.db2.gz CHSLUMQYJBPXJB-DLBZAZTESA-N 1 3 353.511 0.129 20 0 FCADHO CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000570520018 491247007 /nfs/dbraw/zinc/24/70/07/491247007.db2.gz QCQVELBMJNDIGJ-OAHLLOKOSA-N 1 3 354.524 0.975 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284269108 489308996 /nfs/dbraw/zinc/30/89/96/489308996.db2.gz WSUMQJGSEYDLLX-UHFFFAOYSA-N 1 3 364.490 0.449 20 0 FCADHO C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563448715 491247458 /nfs/dbraw/zinc/24/74/58/491247458.db2.gz LXYUZBNTFDTJFB-GOEBONIOSA-N 1 3 361.446 0.403 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000370075991 489314032 /nfs/dbraw/zinc/31/40/32/489314032.db2.gz CWOKLWAJEMOTLA-FUHWJXTLSA-N 1 3 368.522 0.992 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCCC1 ZINC000563549564 491254534 /nfs/dbraw/zinc/25/45/34/491254534.db2.gz ZYZAUDPNIAEMDY-ARFHVFGLSA-N 1 3 351.495 0.450 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000570618938 491253297 /nfs/dbraw/zinc/25/32/97/491253297.db2.gz HUJIUTVSXHXEDF-DLBZAZTESA-N 1 3 363.506 0.324 20 0 FCADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183136 489434880 /nfs/dbraw/zinc/43/48/80/489434880.db2.gz OHRZHFBACJNJLA-MSOLQXFVSA-N 1 3 366.506 0.603 20 0 FCADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183136 489434884 /nfs/dbraw/zinc/43/48/84/489434884.db2.gz OHRZHFBACJNJLA-MSOLQXFVSA-N 1 3 366.506 0.603 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697829 491258386 /nfs/dbraw/zinc/25/83/86/491258386.db2.gz BMOIJPFPMLDFSM-QZTJIDSGSA-N 1 3 371.485 0.736 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000570667752 491256561 /nfs/dbraw/zinc/25/65/61/491256561.db2.gz IELHRRDHJPQNNS-GOEBONIOSA-N 1 3 368.522 0.794 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000570667752 491256564 /nfs/dbraw/zinc/25/65/64/491256564.db2.gz IELHRRDHJPQNNS-GOEBONIOSA-N 1 3 368.522 0.794 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000570667754 491256756 /nfs/dbraw/zinc/25/67/56/491256756.db2.gz IELHRRDHJPQNNS-ZBFHGGJFSA-N 1 3 368.522 0.794 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000570667754 491256758 /nfs/dbraw/zinc/25/67/58/491256758.db2.gz IELHRRDHJPQNNS-ZBFHGGJFSA-N 1 3 368.522 0.794 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423128512 489495468 /nfs/dbraw/zinc/49/54/68/489495468.db2.gz KTGMFUJWTWQJGS-DLBZAZTESA-N 1 3 352.523 0.881 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423160769 489498192 /nfs/dbraw/zinc/49/81/92/489498192.db2.gz HVGQMIDMYBMYST-MSOLQXFVSA-N 1 3 373.501 0.702 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423173376 489499606 /nfs/dbraw/zinc/49/96/06/489499606.db2.gz YFTHOGDVEFCGCW-INIZCTEOSA-N 1 3 364.490 0.936 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)o1 ZINC000423171399 489499702 /nfs/dbraw/zinc/49/97/02/489499702.db2.gz OHHXNIPMGWKEGV-MRXNPFEDSA-N 1 3 366.462 0.054 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423200204 489501981 /nfs/dbraw/zinc/50/19/81/489501981.db2.gz DVSQXCQKLWFNRO-CQSZACIVSA-N 1 3 368.428 0.805 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423203448 489502286 /nfs/dbraw/zinc/50/22/86/489502286.db2.gz MSOXCFOUHUTTSV-GASCZTMLSA-N 1 3 354.495 0.012 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423210764 489502569 /nfs/dbraw/zinc/50/25/69/489502569.db2.gz XHTCJBRBXOQVHI-KRWDZBQOSA-N 1 3 364.465 0.926 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000423211337 489503357 /nfs/dbraw/zinc/50/33/57/489503357.db2.gz KYBBBKCOJDEJLZ-KRWDZBQOSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423234828 489506662 /nfs/dbraw/zinc/50/66/62/489506662.db2.gz QMQGEQSVTIIBMC-IEBWSBKVSA-N 1 3 372.513 0.959 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423259038 489508682 /nfs/dbraw/zinc/50/86/82/489508682.db2.gz CZUYQBBUOYOMBC-HNNXBMFYSA-N 1 3 356.511 0.389 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423265441 489509050 /nfs/dbraw/zinc/50/90/50/489509050.db2.gz RAXQKRXSVODFEM-JKSUJKDBSA-N 1 3 356.511 0.247 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423272833 489509867 /nfs/dbraw/zinc/50/98/67/489509867.db2.gz ZNUMCGJSNKXGNR-CVEARBPZSA-N 1 3 356.511 0.389 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000415431655 489520646 /nfs/dbraw/zinc/52/06/46/489520646.db2.gz DTXRPZKPXLODOI-AWEZNQCLSA-N 1 3 350.463 0.973 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000415563852 489530596 /nfs/dbraw/zinc/53/05/96/489530596.db2.gz HMJXRNXUMZDGKF-HNNXBMFYSA-N 1 3 361.490 0.616 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415657052 489540094 /nfs/dbraw/zinc/54/00/94/489540094.db2.gz MKYBBTDKLIYTSA-CQSZACIVSA-N 1 3 350.463 0.988 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1F ZINC000415698935 489541922 /nfs/dbraw/zinc/54/19/22/489541922.db2.gz ZNISBOHNLRUEOY-GOSISDBHSA-N 1 3 366.437 0.902 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415727631 489547132 /nfs/dbraw/zinc/54/71/32/489547132.db2.gz QTLRHAATIFFILC-QGZVFWFLSA-N 1 3 373.501 0.501 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000415736844 489548711 /nfs/dbraw/zinc/54/87/11/489548711.db2.gz BWYQSGIUYTYGDL-CVEARBPZSA-N 1 3 374.485 0.942 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007258 489567538 /nfs/dbraw/zinc/56/75/38/489567538.db2.gz MLCFDHKYNLWMLL-VXGBXAGGSA-N 1 3 365.400 0.214 20 0 FCADHO CCN1CCO[C@H](C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000372365141 489576685 /nfs/dbraw/zinc/57/66/85/489576685.db2.gz INLHFKZGKMUAIL-SFHVURJKSA-N 1 3 352.523 0.724 20 0 FCADHO CCN1CCO[C@H](C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000372365141 489576687 /nfs/dbraw/zinc/57/66/87/489576687.db2.gz INLHFKZGKMUAIL-SFHVURJKSA-N 1 3 352.523 0.724 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455672886 489598210 /nfs/dbraw/zinc/59/82/10/489598210.db2.gz WFGURQIRCIVWFL-OAHLLOKOSA-N 1 3 352.483 0.659 20 0 FCADHO C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000417027559 489639225 /nfs/dbraw/zinc/63/92/25/489639225.db2.gz ZXXZIHRLJFYTSW-PMPSAXMXSA-N 1 3 353.511 0.603 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417323625 489649059 /nfs/dbraw/zinc/64/90/59/489649059.db2.gz HAADHLVSWBRHOX-PMPSAXMXSA-N 1 3 353.511 0.603 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417430768 489652758 /nfs/dbraw/zinc/65/27/58/489652758.db2.gz PVWJQFDIGCZKGY-XHSDSOJGSA-N 1 3 353.511 0.840 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417432786 489652854 /nfs/dbraw/zinc/65/28/54/489652854.db2.gz UBDVAORIXLSELH-HNNXBMFYSA-N 1 3 353.511 0.890 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000417519128 489657050 /nfs/dbraw/zinc/65/70/50/489657050.db2.gz ULFMMZNJRTUYKH-FGTMMUONSA-N 1 3 364.490 0.576 20 0 FCADHO CN(CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620619 489660475 /nfs/dbraw/zinc/66/04/75/489660475.db2.gz DHSDBSQZVZSYFN-ZBFHGGJFSA-N 1 3 351.495 0.370 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417864016 489669123 /nfs/dbraw/zinc/66/91/23/489669123.db2.gz AWQRFEUMTISDOG-VNQPRFMTSA-N 1 3 351.495 0.498 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000373110424 489669761 /nfs/dbraw/zinc/66/97/61/489669761.db2.gz NXHYXSSWOYQGMZ-GOSISDBHSA-N 1 3 369.554 0.765 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000373110424 489669762 /nfs/dbraw/zinc/66/97/62/489669762.db2.gz NXHYXSSWOYQGMZ-GOSISDBHSA-N 1 3 369.554 0.765 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCN1C ZINC000418001085 489674708 /nfs/dbraw/zinc/67/47/08/489674708.db2.gz KHLSDOXAAXMHLU-VQHPVUNQSA-N 1 3 365.522 0.759 20 0 FCADHO COCC1(CNC(=O)NCCCN2CCCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000418120227 489679375 /nfs/dbraw/zinc/67/93/75/489679375.db2.gz VSKBXXJMVXEPSS-INIZCTEOSA-N 1 3 356.511 0.803 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823304 491271273 /nfs/dbraw/zinc/27/12/73/491271273.db2.gz YOLVFAWBMSXNQS-XJNFMUPTSA-N 1 3 363.506 0.593 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823304 491271275 /nfs/dbraw/zinc/27/12/75/491271275.db2.gz YOLVFAWBMSXNQS-XJNFMUPTSA-N 1 3 363.506 0.593 20 0 FCADHO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCCC1 ZINC000418372247 489694239 /nfs/dbraw/zinc/69/42/39/489694239.db2.gz YKTRTJJWSGSGDP-QGZVFWFLSA-N 1 3 365.522 0.844 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418377659 489695032 /nfs/dbraw/zinc/69/50/32/489695032.db2.gz HJHSJIBATLWJSW-SJORKVTESA-N 1 3 361.490 0.327 20 0 FCADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418651155 489715518 /nfs/dbraw/zinc/71/55/18/489715518.db2.gz LDBMIXVWAIJCEY-WBVHZDCISA-N 1 3 361.490 0.745 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418752635 489721980 /nfs/dbraw/zinc/72/19/80/489721980.db2.gz BYUHFKJHFDHHTN-KRWDZBQOSA-N 1 3 351.470 0.803 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829953 489743041 /nfs/dbraw/zinc/74/30/41/489743041.db2.gz FHOJWAOTRTXBAH-XLIONFOSSA-N 1 3 360.502 0.781 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(OCCC[NH3+])CC2)C1 ZINC000430589007 489749762 /nfs/dbraw/zinc/74/97/62/489749762.db2.gz GSTDGFQQVWQRGB-GOSISDBHSA-N 1 3 370.538 0.289 20 0 FCADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633760 489759036 /nfs/dbraw/zinc/75/90/36/489759036.db2.gz QDFBQRFBOIFQAP-HOCLYGCPSA-N 1 3 364.465 0.660 20 0 FCADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633755 489759274 /nfs/dbraw/zinc/75/92/74/489759274.db2.gz QDFBQRFBOIFQAP-GDBMZVCRSA-N 1 3 364.465 0.660 20 0 FCADHO CCCN(C(=O)C(=O)NCCCN1CCCO[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000418875039 489769764 /nfs/dbraw/zinc/76/97/64/489769764.db2.gz CLGOKYFARRKBAG-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC1 ZINC000418877691 489770954 /nfs/dbraw/zinc/77/09/54/489770954.db2.gz PNGHITVXMLLSGT-DLBZAZTESA-N 1 3 362.449 0.679 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000418880259 489771905 /nfs/dbraw/zinc/77/19/05/489771905.db2.gz PCACPMVKMYCAHS-MRXNPFEDSA-N 1 3 368.522 0.452 20 0 FCADHO O=C(CNC(=O)NCCC[NH+]1CCCC1)NCCN1CCCCCC1 ZINC000430918756 489777777 /nfs/dbraw/zinc/77/77/77/489777777.db2.gz IPLOAVHPKSDZDN-UHFFFAOYSA-N 1 3 353.511 0.764 20 0 FCADHO C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430932013 489778946 /nfs/dbraw/zinc/77/89/46/489778946.db2.gz DCPQUYLLAPBQBG-CJNGLKHVSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@@H](C)C1 ZINC000376705540 489780214 /nfs/dbraw/zinc/78/02/14/489780214.db2.gz FOZHHGFLPUKADV-ULQDDVLXSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@@H](C)C1 ZINC000376705540 489780217 /nfs/dbraw/zinc/78/02/17/489780217.db2.gz FOZHHGFLPUKADV-ULQDDVLXSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000376705540 489780221 /nfs/dbraw/zinc/78/02/21/489780221.db2.gz FOZHHGFLPUKADV-ULQDDVLXSA-N 1 3 367.538 0.251 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H](CN)C1 ZINC000418921424 489792230 /nfs/dbraw/zinc/79/22/30/489792230.db2.gz JJSZWMLKHBWLPY-NNFUDEMPSA-N 1 3 368.522 0.578 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000460018694 489819933 /nfs/dbraw/zinc/81/99/33/489819933.db2.gz OULLYXYZTNBJEE-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419019383 489820516 /nfs/dbraw/zinc/82/05/16/489820516.db2.gz DIRBYJVLAISCSI-BARDWOONSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419019383 489820519 /nfs/dbraw/zinc/82/05/19/489820519.db2.gz DIRBYJVLAISCSI-BARDWOONSA-N 1 3 354.495 0.452 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419031010 489825778 /nfs/dbraw/zinc/82/57/78/489825778.db2.gz IIGHHEKMTDXPHU-UHFFFAOYSA-N 1 3 356.536 0.532 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419037525 489829061 /nfs/dbraw/zinc/82/90/61/489829061.db2.gz DCEMTFZFIPPXLN-WBVHZDCISA-N 1 3 368.522 0.626 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419042104 489831388 /nfs/dbraw/zinc/83/13/88/489831388.db2.gz ZOIYMZAXEGVYES-AWEZNQCLSA-N 1 3 356.536 0.660 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)NCCN1CCCCCC1 ZINC000432431869 489841554 /nfs/dbraw/zinc/84/15/54/489841554.db2.gz FHHAYESQAFRTDN-SJORKVTESA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)NCCN1CCCCCC1 ZINC000432431869 489841558 /nfs/dbraw/zinc/84/15/58/489841558.db2.gz FHHAYESQAFRTDN-SJORKVTESA-N 1 3 365.522 0.905 20 0 FCADHO NC[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419068702 489843466 /nfs/dbraw/zinc/84/34/66/489843466.db2.gz IFSGFRMUZMGFEA-GOSISDBHSA-N 1 3 358.486 0.965 20 0 FCADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419069909 489844650 /nfs/dbraw/zinc/84/46/50/489844650.db2.gz JLSUEVLCSYZNJY-SFHVURJKSA-N 1 3 374.485 0.119 20 0 FCADHO CCN1CCO[C@@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367218 489845318 /nfs/dbraw/zinc/84/53/18/489845318.db2.gz FJZFTFGLNXFWJX-GOSISDBHSA-N 1 3 361.490 0.431 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084190 489847189 /nfs/dbraw/zinc/84/71/89/489847189.db2.gz UENKCJOGAZCAFA-IRXDYDNUSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000460084190 489847191 /nfs/dbraw/zinc/84/71/91/489847191.db2.gz UENKCJOGAZCAFA-IRXDYDNUSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460082167 489847751 /nfs/dbraw/zinc/84/77/51/489847751.db2.gz ZVAOGUJHVSSPNQ-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460082167 489847754 /nfs/dbraw/zinc/84/77/54/489847754.db2.gz ZVAOGUJHVSSPNQ-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCN(CCCCNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433162945 489869440 /nfs/dbraw/zinc/86/94/40/489869440.db2.gz WCYKVYSMLGDDFV-UHFFFAOYSA-N 1 3 353.555 0.724 20 0 FCADHO O=C(NCC1(N2CCCC2)CCOCC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433396315 489881104 /nfs/dbraw/zinc/88/11/04/489881104.db2.gz VYYBNVOTBDAKFW-OAHLLOKOSA-N 1 3 362.478 0.577 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000433460838 489886407 /nfs/dbraw/zinc/88/64/07/489886407.db2.gz RUPGORKCJQKMCR-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000433460838 489886410 /nfs/dbraw/zinc/88/64/10/489886410.db2.gz RUPGORKCJQKMCR-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420035329 489888039 /nfs/dbraw/zinc/88/80/39/489888039.db2.gz JZONAYJMSQKREO-CABCVRRESA-N 1 3 356.511 0.796 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433467059 489888240 /nfs/dbraw/zinc/88/82/40/489888240.db2.gz PHWPKZLTOREUFO-ZWKOTPCHSA-N 1 3 370.538 0.879 20 0 FCADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420037660 489889021 /nfs/dbraw/zinc/88/90/21/489889021.db2.gz UWIWTODHBUJLQU-AEFFLSMTSA-N 1 3 358.486 0.820 20 0 FCADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420037660 489889025 /nfs/dbraw/zinc/88/90/25/489889025.db2.gz UWIWTODHBUJLQU-AEFFLSMTSA-N 1 3 358.486 0.820 20 0 FCADHO CN1CCN(CC2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000433477794 489889125 /nfs/dbraw/zinc/88/91/25/489889125.db2.gz OACDKEUEPVFDQD-UHFFFAOYSA-N 1 3 355.527 0.234 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420051013 489894000 /nfs/dbraw/zinc/89/40/00/489894000.db2.gz ZQLYRCURYDNLJA-HRCADAONSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000420076099 489904613 /nfs/dbraw/zinc/90/46/13/489904613.db2.gz LJCCSAJPMMDDKW-ZIAGYGMSSA-N 1 3 354.495 0.188 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095685 489909975 /nfs/dbraw/zinc/90/99/75/489909975.db2.gz SVIPDQVOLBXUFW-UHFFFAOYSA-N 1 3 350.438 0.714 20 0 FCADHO CN(CCCN(C)[C@H]1CCCN(c2ccn(C)n2)C1=O)CC[NH+](C)C ZINC000377489216 489910509 /nfs/dbraw/zinc/91/05/09/489910509.db2.gz DBBCDGGNOPGSJW-INIZCTEOSA-N 1 3 350.511 0.731 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[NH2+]1 ZINC000420134706 489924601 /nfs/dbraw/zinc/92/46/01/489924601.db2.gz UXXJJHCBTYJMDN-ZIAGYGMSSA-N 1 3 352.504 0.895 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000420136786 489925707 /nfs/dbraw/zinc/92/57/07/489925707.db2.gz JUZSVSIZUIPEHY-UHFFFAOYSA-N 1 3 358.486 0.921 20 0 FCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420163944 489937121 /nfs/dbraw/zinc/93/71/21/489937121.db2.gz LLHFZZBKNUQNNH-PMPSAXMXSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661138 489938629 /nfs/dbraw/zinc/93/86/29/489938629.db2.gz CRQRMJRWOCRSLD-SJLPKXTDSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661138 489938630 /nfs/dbraw/zinc/93/86/30/489938630.db2.gz CRQRMJRWOCRSLD-SJLPKXTDSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000377661138 489938633 /nfs/dbraw/zinc/93/86/33/489938633.db2.gz CRQRMJRWOCRSLD-SJLPKXTDSA-N 1 3 351.539 0.249 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189291 489945953 /nfs/dbraw/zinc/94/59/53/489945953.db2.gz DIHUKVWIWDXQBC-MRXNPFEDSA-N 1 3 354.495 0.062 20 0 FCADHO NC1(CNC(=O)C(=O)N2CCC[C@@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202621 489950169 /nfs/dbraw/zinc/95/01/69/489950169.db2.gz JOFMVEJWROTNFE-QGZVFWFLSA-N 1 3 374.485 0.079 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420207331 489953253 /nfs/dbraw/zinc/95/32/53/489953253.db2.gz QKMVYAILXWGAHU-MRXNPFEDSA-N 1 3 374.485 0.343 20 0 FCADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327218 489963681 /nfs/dbraw/zinc/96/36/81/489963681.db2.gz LBCTZTXXCPPLML-SJORKVTESA-N 1 3 358.490 0.447 20 0 FCADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345297 489965615 /nfs/dbraw/zinc/96/56/15/489965615.db2.gz ALOYISKPPJQQCR-OALUTQOASA-N 1 3 359.518 0.385 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000420411865 489973280 /nfs/dbraw/zinc/97/32/80/489973280.db2.gz COOFJMGTNQDWEO-HNNXBMFYSA-N 1 3 357.524 0.730 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000477612183 489976271 /nfs/dbraw/zinc/97/62/71/489976271.db2.gz DMUBJCJMNISLDB-MRXNPFEDSA-N 1 3 368.522 0.450 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000477612183 489976274 /nfs/dbraw/zinc/97/62/74/489976274.db2.gz DMUBJCJMNISLDB-MRXNPFEDSA-N 1 3 368.522 0.450 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420447385 489978295 /nfs/dbraw/zinc/97/82/95/489978295.db2.gz IUHBFVQNECFBFJ-SWLSCSKDSA-N 1 3 357.524 0.809 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639116 489980288 /nfs/dbraw/zinc/98/02/88/489980288.db2.gz DRRGFQZJGKTRSW-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000477639116 489980292 /nfs/dbraw/zinc/98/02/92/489980292.db2.gz DRRGFQZJGKTRSW-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000477647865 489981706 /nfs/dbraw/zinc/98/17/06/489981706.db2.gz SVCSJPOKMLVCNH-INIZCTEOSA-N 1 3 366.506 0.158 20 0 FCADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCO[C@@H](C[NH3+])C1 ZINC000478265231 490012903 /nfs/dbraw/zinc/01/29/03/490012903.db2.gz FVVGRCGYBFOVOS-APWZRJJASA-N 1 3 360.502 0.815 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000564290479 491298218 /nfs/dbraw/zinc/29/82/18/491298218.db2.gz JAEAKSJAHXPTPJ-ARFHVFGLSA-N 1 3 366.506 0.012 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000564290481 491298318 /nfs/dbraw/zinc/29/83/18/491298318.db2.gz JAEAKSJAHXPTPJ-OAGGEKHMSA-N 1 3 366.506 0.012 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCSC1 ZINC000421727586 490101921 /nfs/dbraw/zinc/10/19/21/490101921.db2.gz YNWHEEINXSHATF-QGZVFWFLSA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCSC1 ZINC000421727586 490101926 /nfs/dbraw/zinc/10/19/26/490101926.db2.gz YNWHEEINXSHATF-QGZVFWFLSA-N 1 3 356.536 0.531 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000421792062 490105875 /nfs/dbraw/zinc/10/58/75/490105875.db2.gz MKQLQKQZBZQNJM-KRWDZBQOSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000382757725 490129265 /nfs/dbraw/zinc/12/92/65/490129265.db2.gz RIIHQALKVLEHSB-GOSISDBHSA-N 1 3 358.486 0.789 20 0 FCADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000382757725 490129274 /nfs/dbraw/zinc/12/92/74/490129274.db2.gz RIIHQALKVLEHSB-GOSISDBHSA-N 1 3 358.486 0.789 20 0 FCADHO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cnc(N2CCNCC2)nc1 ZINC000520371311 490139159 /nfs/dbraw/zinc/13/91/59/490139159.db2.gz RPGSWHIQLIGJNY-UHFFFAOYSA-N 1 3 359.478 0.882 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000465951608 490155639 /nfs/dbraw/zinc/15/56/39/490155639.db2.gz NUGNOUBKNDEWBF-IAGOWNOFSA-N 1 3 367.538 0.993 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000465951608 490155644 /nfs/dbraw/zinc/15/56/44/490155644.db2.gz NUGNOUBKNDEWBF-IAGOWNOFSA-N 1 3 367.538 0.993 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950511 490155686 /nfs/dbraw/zinc/15/56/86/490155686.db2.gz OVHHTSFXZKVBGV-HZPDHXFCSA-N 1 3 353.511 0.747 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950511 490155692 /nfs/dbraw/zinc/15/56/92/490155692.db2.gz OVHHTSFXZKVBGV-HZPDHXFCSA-N 1 3 353.511 0.747 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000497478316 490166651 /nfs/dbraw/zinc/16/66/51/490166651.db2.gz JOZCBIKHZPXYCD-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000422126483 490177734 /nfs/dbraw/zinc/17/77/34/490177734.db2.gz WVNXXPQOFINNAS-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CC[NH+]1CCC(N2CCCN(C(=O)NCCN(C)CCOC)CC2)CC1 ZINC000422156924 490193843 /nfs/dbraw/zinc/19/38/43/490193843.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 1 3 369.554 0.766 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000521070735 490222058 /nfs/dbraw/zinc/22/20/58/490222058.db2.gz GSCOBVDBKIHRMZ-KKUMJFAQSA-N 1 3 354.495 0.452 20 0 FCADHO CNC(=O)N[C@H]1CCN(CCCCC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947654 490233386 /nfs/dbraw/zinc/23/33/86/490233386.db2.gz WUFBYMCZIFYMKJ-GJZGRUSLSA-N 1 3 354.499 0.163 20 0 FCADHO CNC(=O)N[C@H]1CCN(CCCCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466947654 490233393 /nfs/dbraw/zinc/23/33/93/490233393.db2.gz WUFBYMCZIFYMKJ-GJZGRUSLSA-N 1 3 354.499 0.163 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000571466428 491310120 /nfs/dbraw/zinc/31/01/20/491310120.db2.gz APBXOPJMMMVQOU-UHFFFAOYSA-N 1 3 356.511 0.452 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000422299393 490240786 /nfs/dbraw/zinc/24/07/86/490240786.db2.gz TYPKJSUDIJDKSE-INIZCTEOSA-N 1 3 366.506 0.300 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000521273833 490244115 /nfs/dbraw/zinc/24/41/15/490244115.db2.gz IEQDTCNEIWSYQF-RBUKOAKNSA-N 1 3 372.513 0.878 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000521339002 490249673 /nfs/dbraw/zinc/24/96/73/490249673.db2.gz DXBWWYGKTIOUHD-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000521339002 490249679 /nfs/dbraw/zinc/24/96/79/490249679.db2.gz DXBWWYGKTIOUHD-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000521624437 490283302 /nfs/dbraw/zinc/28/33/02/490283302.db2.gz AQMACGHOJGIEOJ-HUUCEWRRSA-N 1 3 355.508 0.292 20 0 FCADHO COc1ccccc1C(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000547464355 490297737 /nfs/dbraw/zinc/29/77/37/490297737.db2.gz IFYGOWVZOXVGBO-UHFFFAOYSA-N 1 3 350.463 0.377 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)C[C@@H]21 ZINC000521806216 490298592 /nfs/dbraw/zinc/29/85/92/490298592.db2.gz YTSWNTCIDSFNIR-CVEARBPZSA-N 1 3 351.495 0.324 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@@H](C)O1 ZINC000467707318 490331578 /nfs/dbraw/zinc/33/15/78/490331578.db2.gz XLLUDJAISJLAGQ-DQIHPLBOSA-N 1 3 351.491 0.807 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000422488431 490353429 /nfs/dbraw/zinc/35/34/29/490353429.db2.gz NBJQGEQTKHWOTB-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000422488431 490353437 /nfs/dbraw/zinc/35/34/37/490353437.db2.gz NBJQGEQTKHWOTB-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCC[C@H]1C ZINC000448488089 490356840 /nfs/dbraw/zinc/35/68/40/490356840.db2.gz OTQKWBWVVRCSKX-CABCVRRESA-N 1 3 364.494 0.762 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCCCC1 ZINC000571658702 491321215 /nfs/dbraw/zinc/32/12/15/491321215.db2.gz QKTIBQCJGQATMK-GJZGRUSLSA-N 1 3 351.495 0.594 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000522449026 490379641 /nfs/dbraw/zinc/37/96/41/490379641.db2.gz FAJDOKIZPSAGPY-SJORKVTESA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000522449026 490379646 /nfs/dbraw/zinc/37/96/46/490379646.db2.gz FAJDOKIZPSAGPY-SJORKVTESA-N 1 3 367.538 0.912 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411240227 490411389 /nfs/dbraw/zinc/41/13/89/490411389.db2.gz HEYYFRHPHXKHNW-CQSZACIVSA-N 1 3 366.437 0.915 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000499446431 490424533 /nfs/dbraw/zinc/42/45/33/490424533.db2.gz ZXGCILHBXLVKIT-NVXWUHKLSA-N 1 3 366.506 0.014 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000509673306 490451427 /nfs/dbraw/zinc/45/14/27/490451427.db2.gz YWURLWPDQKEWHG-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000509673306 490451433 /nfs/dbraw/zinc/45/14/33/490451433.db2.gz YWURLWPDQKEWHG-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000509723731 490458470 /nfs/dbraw/zinc/45/84/70/490458470.db2.gz GLILLLQLDMIRFG-HNNXBMFYSA-N 1 3 356.511 0.308 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000509723731 490458473 /nfs/dbraw/zinc/45/84/73/490458473.db2.gz GLILLLQLDMIRFG-HNNXBMFYSA-N 1 3 356.511 0.308 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482358 490470048 /nfs/dbraw/zinc/47/00/48/490470048.db2.gz TZLUOYRFTMSYIN-INIZCTEOSA-N 1 3 366.506 0.790 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000523482358 490470052 /nfs/dbraw/zinc/47/00/52/490470052.db2.gz TZLUOYRFTMSYIN-INIZCTEOSA-N 1 3 366.506 0.790 20 0 FCADHO C[C@H](CCC[NH3+])NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422753947 490471710 /nfs/dbraw/zinc/47/17/10/490471710.db2.gz FMKUWVDUMRDAHN-OAHLLOKOSA-N 1 3 354.520 0.840 20 0 FCADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985299 490511757 /nfs/dbraw/zinc/51/17/57/490511757.db2.gz DANHINDXLJBWQU-BBWFWOEESA-N 1 3 360.506 0.999 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985299 490511761 /nfs/dbraw/zinc/51/17/61/490511761.db2.gz DANHINDXLJBWQU-BBWFWOEESA-N 1 3 360.506 0.999 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC1 ZINC000500429395 490515032 /nfs/dbraw/zinc/51/50/32/490515032.db2.gz VVSZMXKKJQZIIM-HNNXBMFYSA-N 1 3 366.506 0.204 20 0 FCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000535720679 490517241 /nfs/dbraw/zinc/51/72/41/490517241.db2.gz GFOHRJYHWQJYGR-KRWDZBQOSA-N 1 3 359.474 0.905 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423061834 490534222 /nfs/dbraw/zinc/53/42/22/490534222.db2.gz LUQPJMMFZRKZET-KRWDZBQOSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423066180 490535518 /nfs/dbraw/zinc/53/55/18/490535518.db2.gz WHYJKWMEEBXYGJ-UHFFFAOYSA-N 1 3 356.511 0.389 20 0 FCADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510807372 490541040 /nfs/dbraw/zinc/54/10/40/490541040.db2.gz BOCLPQJNFPJYOD-SJORKVTESA-N 1 3 360.568 0.853 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000500764018 490549568 /nfs/dbraw/zinc/54/95/68/490549568.db2.gz LFPOKYBIEPPBIE-UHFFFAOYSA-N 1 3 366.506 0.348 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000485805224 490560433 /nfs/dbraw/zinc/56/04/33/490560433.db2.gz LBWMBHMRYFOBGF-XHSDSOJGSA-N 1 3 364.494 0.822 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000536218462 490561591 /nfs/dbraw/zinc/56/15/91/490561591.db2.gz BIJJQBZPAIJFKW-IBGZPJMESA-N 1 3 366.550 0.900 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000536218462 490561612 /nfs/dbraw/zinc/56/16/12/490561612.db2.gz BIJJQBZPAIJFKW-IBGZPJMESA-N 1 3 366.550 0.900 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1nc(C)no1 ZINC000511157846 490566437 /nfs/dbraw/zinc/56/64/37/490566437.db2.gz UMRMAYSVVGDYTF-HNNXBMFYSA-N 1 3 353.467 0.769 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1nc(C)no1 ZINC000511157846 490566439 /nfs/dbraw/zinc/56/64/39/490566439.db2.gz UMRMAYSVVGDYTF-HNNXBMFYSA-N 1 3 353.467 0.769 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000556849125 491340544 /nfs/dbraw/zinc/34/05/44/491340544.db2.gz HUNRGVAWNJYSLL-QGZVFWFLSA-N 1 3 367.538 0.567 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000556849125 491340546 /nfs/dbraw/zinc/34/05/46/491340546.db2.gz HUNRGVAWNJYSLL-QGZVFWFLSA-N 1 3 367.538 0.567 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000550107876 490625844 /nfs/dbraw/zinc/62/58/44/490625844.db2.gz OXAPVAZYHJKZCQ-UHFFFAOYSA-N 1 3 368.522 0.452 20 0 FCADHO CO[C@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)[C@H](C[NH3+])C1 ZINC000564970563 491341697 /nfs/dbraw/zinc/34/16/97/491341697.db2.gz MCFCRPYVCPRTSI-GJZGRUSLSA-N 1 3 373.523 0.188 20 0 FCADHO CO[C@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)[C@@H](C[NH3+])C1 ZINC000564970561 491341778 /nfs/dbraw/zinc/34/17/78/491341778.db2.gz MCFCRPYVCPRTSI-CABCVRRESA-N 1 3 373.523 0.188 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000557036107 491350022 /nfs/dbraw/zinc/35/00/22/491350022.db2.gz WINIZNYNZCWJMQ-CABCVRRESA-N 1 3 360.458 0.763 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000557036110 491350094 /nfs/dbraw/zinc/35/00/94/491350094.db2.gz WINIZNYNZCWJMQ-LSDHHAIUSA-N 1 3 360.458 0.763 20 0 FCADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000514596400 490773602 /nfs/dbraw/zinc/77/36/02/490773602.db2.gz VUBGPSUTXQJWIX-OAHLLOKOSA-N 1 3 352.504 0.782 20 0 FCADHO Cc1csc2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)n12 ZINC000539562001 490789421 /nfs/dbraw/zinc/78/94/21/490789421.db2.gz NMHCTJLUYXCZPW-UHFFFAOYSA-N 1 3 351.476 0.630 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000514925118 490797992 /nfs/dbraw/zinc/79/79/92/490797992.db2.gz JNJDOJNWZZYTBN-ZWKOTPCHSA-N 1 3 362.474 0.565 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000557151608 491356985 /nfs/dbraw/zinc/35/69/85/491356985.db2.gz UZZYOMSYHJVFMR-QGZVFWFLSA-N 1 3 363.506 0.454 20 0 FCADHO CC(=O)Nc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000515117011 490809655 /nfs/dbraw/zinc/80/96/55/490809655.db2.gz HCLIWDRZKVOBMU-UHFFFAOYSA-N 1 3 350.467 0.675 20 0 FCADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000515303266 490816932 /nfs/dbraw/zinc/81/69/32/490816932.db2.gz YZRGZMHFKOLQMK-QGZVFWFLSA-N 1 3 350.507 0.969 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000528731165 490824070 /nfs/dbraw/zinc/82/40/70/490824070.db2.gz RKNKNBHUNAPLRJ-UHFFFAOYSA-N 1 3 352.523 0.774 20 0 FCADHO O=C(NC[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000515836979 490839858 /nfs/dbraw/zinc/83/98/58/490839858.db2.gz KUEWMLYXTLPITI-QAPCUYQASA-N 1 3 362.518 0.968 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838365 490841725 /nfs/dbraw/zinc/84/17/25/490841725.db2.gz KGQUOHFKTOUCNG-OAHLLOKOSA-N 1 3 352.479 0.400 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838365 490841728 /nfs/dbraw/zinc/84/17/28/490841728.db2.gz KGQUOHFKTOUCNG-OAHLLOKOSA-N 1 3 352.479 0.400 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000557245653 491361837 /nfs/dbraw/zinc/36/18/37/491361837.db2.gz WXMSARXGJVTEKZ-FQEVSTJZSA-N 1 3 358.486 0.967 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367603 490856741 /nfs/dbraw/zinc/85/67/41/490856741.db2.gz RFOGNAQNBJNRJY-OAHLLOKOSA-N 1 3 351.495 0.467 20 0 FCADHO N[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000516766567 490877333 /nfs/dbraw/zinc/87/73/33/490877333.db2.gz NWZPJQRZCNEHGO-QGZVFWFLSA-N 1 3 350.507 0.955 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000565192361 491359048 /nfs/dbraw/zinc/35/90/48/491359048.db2.gz ZYJTWRYCWMUGLT-FQEVSTJZSA-N 1 3 371.485 0.812 20 0 FCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000572362627 491365172 /nfs/dbraw/zinc/36/51/72/491365172.db2.gz VYYDQHPUQFZZTN-LJQANCHMSA-N 1 3 359.518 0.609 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797896 490952243 /nfs/dbraw/zinc/95/22/43/490952243.db2.gz YGJZUMCIWSPKEF-IRXDYDNUSA-N 1 3 363.506 0.737 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000531356909 490953413 /nfs/dbraw/zinc/95/34/13/490953413.db2.gz SCBZVRGDWYKHTE-HNNXBMFYSA-N 1 3 350.463 0.580 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000519597136 490978559 /nfs/dbraw/zinc/97/85/59/490978559.db2.gz DVTOAEFOBWOSPH-GOSISDBHSA-N 1 3 358.486 0.886 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531935303 490981288 /nfs/dbraw/zinc/98/12/88/490981288.db2.gz YUEHXSPKPGCUAC-MSOLQXFVSA-N 1 3 369.554 0.765 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067609 490985407 /nfs/dbraw/zinc/98/54/07/490985407.db2.gz PSZMVTUJTJUEMP-DOTOQJQBSA-N 1 3 365.522 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067609 490985408 /nfs/dbraw/zinc/98/54/08/490985408.db2.gz PSZMVTUJTJUEMP-DOTOQJQBSA-N 1 3 365.522 0.665 20 0 FCADHO CN1CCC(CNC(=O)NCC2([NH+](C)C)CCC2)(N2CCOCC2)CC1 ZINC000569554432 491167624 /nfs/dbraw/zinc/16/76/24/491167624.db2.gz MZLPWPBQHCIAGS-UHFFFAOYSA-N 1 3 367.538 0.567 20 0 FCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270753 493337582 /nfs/dbraw/zinc/33/75/82/493337582.db2.gz PMAMTGCFDQDNGE-RDJZCZTQSA-N 1 3 359.474 0.529 20 0 FCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270753 493337584 /nfs/dbraw/zinc/33/75/84/493337584.db2.gz PMAMTGCFDQDNGE-RDJZCZTQSA-N 1 3 359.474 0.529 20 0 FCADHO CN(CCNc1nc2c(c(NCC[N@H+](C)C3CC3)n1)SCC2)C1CC1 ZINC000557538928 491381140 /nfs/dbraw/zinc/38/11/40/491381140.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 1 3 362.547 0.981 20 0 FCADHO CN(CCNc1nc2c(c(NCC[N@@H+](C)C3CC3)n1)SCC2)C1CC1 ZINC000557538928 491381141 /nfs/dbraw/zinc/38/11/41/491381141.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 1 3 362.547 0.981 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(C)C1CC1 ZINC000557561597 491383312 /nfs/dbraw/zinc/38/33/12/491383312.db2.gz OHMDCVSBUPEYAC-CABCVRRESA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540227 491383497 /nfs/dbraw/zinc/38/34/97/491383497.db2.gz MTCRJODAVWWSGM-NVXWUHKLSA-N 1 3 374.485 0.390 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000565549301 491383959 /nfs/dbraw/zinc/38/39/59/491383959.db2.gz LDCARFGCBXZOPF-ULQDDVLXSA-N 1 3 359.474 0.113 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000557751272 491395766 /nfs/dbraw/zinc/39/57/66/491395766.db2.gz RCVYZQAVQOJELS-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000557751272 491395768 /nfs/dbraw/zinc/39/57/68/491395768.db2.gz RCVYZQAVQOJELS-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000557751275 491396052 /nfs/dbraw/zinc/39/60/52/491396052.db2.gz RCVYZQAVQOJELS-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000557751275 491396053 /nfs/dbraw/zinc/39/60/53/491396053.db2.gz RCVYZQAVQOJELS-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](CN)C1 ZINC000565765502 491398357 /nfs/dbraw/zinc/39/83/57/491398357.db2.gz SREJLENGMUXOJL-ZACQAIPSSA-N 1 3 353.511 0.039 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000565847329 491403012 /nfs/dbraw/zinc/40/30/12/491403012.db2.gz GOJWJXJCDOXCNJ-NJAFHUGGSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000565847329 491403014 /nfs/dbraw/zinc/40/30/14/491403014.db2.gz GOJWJXJCDOXCNJ-NJAFHUGGSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565845409 491403057 /nfs/dbraw/zinc/40/30/57/491403057.db2.gz YPRGFACOUGSYAK-OWCLPIDISA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565845409 491403059 /nfs/dbraw/zinc/40/30/59/491403059.db2.gz YPRGFACOUGSYAK-OWCLPIDISA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000565847327 491403321 /nfs/dbraw/zinc/40/33/21/491403321.db2.gz GOJWJXJCDOXCNJ-BPQIPLTHSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000565847327 491403323 /nfs/dbraw/zinc/40/33/23/491403323.db2.gz GOJWJXJCDOXCNJ-BPQIPLTHSA-N 1 3 360.502 0.874 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H](C)C1 ZINC000573102919 491412841 /nfs/dbraw/zinc/41/28/41/491412841.db2.gz RBSNOBZYFHYIMY-HOTGVXAUSA-N 1 3 356.511 0.260 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@@H](C)C1 ZINC000573102919 491412844 /nfs/dbraw/zinc/41/28/44/491412844.db2.gz RBSNOBZYFHYIMY-HOTGVXAUSA-N 1 3 356.511 0.260 20 0 FCADHO C[C@@H](NC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573114742 491413879 /nfs/dbraw/zinc/41/38/79/491413879.db2.gz NICVZAGKTQKROQ-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000573250888 491422550 /nfs/dbraw/zinc/42/25/50/491422550.db2.gz JDDPCJJVHLRCMT-MSOLQXFVSA-N 1 3 374.485 0.817 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566223844 491427244 /nfs/dbraw/zinc/42/72/44/491427244.db2.gz MMVCPNAOSOMQLX-ARFHVFGLSA-N 1 3 369.535 0.809 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000566236859 491428794 /nfs/dbraw/zinc/42/87/94/491428794.db2.gz CEFSDMFFNAFHHB-MAUKXSAKSA-N 1 3 358.486 0.919 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000558412999 491429470 /nfs/dbraw/zinc/42/94/70/491429470.db2.gz XCVPNTFKUGYEHE-JKSUJKDBSA-N 1 3 350.507 0.847 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000558412999 491429472 /nfs/dbraw/zinc/42/94/72/491429472.db2.gz XCVPNTFKUGYEHE-JKSUJKDBSA-N 1 3 350.507 0.847 20 0 FCADHO COC[C@]1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000573441204 491433466 /nfs/dbraw/zinc/43/34/66/491433466.db2.gz AQBYMCRZAYCXEY-FQEVSTJZSA-N 1 3 374.485 0.949 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496570 491448786 /nfs/dbraw/zinc/44/87/86/491448786.db2.gz SAUHAULPYJQSRS-RCCFBDPRSA-N 1 3 356.470 0.669 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000566496570 491448789 /nfs/dbraw/zinc/44/87/89/491448789.db2.gz SAUHAULPYJQSRS-RCCFBDPRSA-N 1 3 356.470 0.669 20 0 FCADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000566508776 491449817 /nfs/dbraw/zinc/44/98/17/491449817.db2.gz ZCXDWKPLRVINEC-GVDBMIGSSA-N 1 3 357.458 0.214 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000573839697 491458340 /nfs/dbraw/zinc/45/83/40/491458340.db2.gz FHNKGZGZIYTUIB-AWEZNQCLSA-N 1 3 354.520 0.332 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412744 491471097 /nfs/dbraw/zinc/47/10/97/491471097.db2.gz UOSOYOSZMYQXMP-MSOLQXFVSA-N 1 3 360.502 0.828 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000574167814 491478898 /nfs/dbraw/zinc/47/88/98/491478898.db2.gz UWMNPFUAAKREGN-VSZNYVQBSA-N 1 3 351.539 0.947 20 0 FCADHO C[C@@H]1CCNC(=O)[C@@H]1NCc1cccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1 ZINC000559748167 491495381 /nfs/dbraw/zinc/49/53/81/491495381.db2.gz OYOTUAXEMSUFQM-DTTOXWODSA-N 1 3 358.486 0.915 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000567368994 491502382 /nfs/dbraw/zinc/50/23/82/491502382.db2.gz NSUWCMXVHCPQQS-QXSJWSMHSA-N 1 3 365.522 0.696 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000567368994 491502385 /nfs/dbraw/zinc/50/23/85/491502385.db2.gz NSUWCMXVHCPQQS-QXSJWSMHSA-N 1 3 365.522 0.696 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567522074 491511824 /nfs/dbraw/zinc/51/18/24/491511824.db2.gz FGOKQZCLOUVZKS-HOTGVXAUSA-N 1 3 353.511 0.603 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC(=O)N(C)C3=O)CC2)CC1 ZINC000567626702 491519180 /nfs/dbraw/zinc/51/91/80/491519180.db2.gz USQOQSFTMOTPOF-HNNXBMFYSA-N 1 3 350.463 0.056 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574910914 491527311 /nfs/dbraw/zinc/52/73/11/491527311.db2.gz BFRHLRBDSKAWAK-KSZLIROESA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000575174432 491543788 /nfs/dbraw/zinc/54/37/88/491543788.db2.gz FFNSRWDYSRUGBY-KSZLIROESA-N 1 3 355.523 0.691 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596232 491546595 /nfs/dbraw/zinc/54/65/95/491546595.db2.gz LRTVFGLTRCEACS-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400011 491551805 /nfs/dbraw/zinc/55/18/05/491551805.db2.gz HKOIBAAYYZEUQQ-KZNAEPCWSA-N 1 3 371.485 0.303 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295696 491568005 /nfs/dbraw/zinc/56/80/05/491568005.db2.gz LUFXNSQDHACJEI-OKZBNKHCSA-N 1 3 371.485 0.604 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295696 491568006 /nfs/dbraw/zinc/56/80/06/491568006.db2.gz LUFXNSQDHACJEI-OKZBNKHCSA-N 1 3 371.485 0.604 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C(C)C ZINC000568379274 491572792 /nfs/dbraw/zinc/57/27/92/491572792.db2.gz BFBXUOLVOCINMY-UHFFFAOYSA-N 1 3 352.483 0.663 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000561122764 491576675 /nfs/dbraw/zinc/57/66/75/491576675.db2.gz RNWDDSOZELTGJE-INIZCTEOSA-N 1 3 354.495 0.156 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000568501511 491580944 /nfs/dbraw/zinc/58/09/44/491580944.db2.gz PBNBKMJSSDLTEI-YOEHRIQHSA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568501511 491580946 /nfs/dbraw/zinc/58/09/46/491580946.db2.gz PBNBKMJSSDLTEI-YOEHRIQHSA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000568501511 491580949 /nfs/dbraw/zinc/58/09/49/491580949.db2.gz PBNBKMJSSDLTEI-YOEHRIQHSA-N 1 3 358.442 0.938 20 0 FCADHO Cc1ccc(CN2CCCN(C(=O)CN3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000577122841 491593056 /nfs/dbraw/zinc/59/30/56/491593056.db2.gz YTNWDIJJFGVRJX-PMACEKPBSA-N 1 3 374.529 0.636 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540964 491602040 /nfs/dbraw/zinc/60/20/40/491602040.db2.gz RHKSVBJRSKQGDG-BPQIPLTHSA-N 1 3 374.460 0.808 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540964 491602044 /nfs/dbraw/zinc/60/20/44/491602044.db2.gz RHKSVBJRSKQGDG-BPQIPLTHSA-N 1 3 374.460 0.808 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000561426765 491607894 /nfs/dbraw/zinc/60/78/94/491607894.db2.gz ZJTMKHRDBBMHPX-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000577365217 491615047 /nfs/dbraw/zinc/61/50/47/491615047.db2.gz RISPXTIUMGZCSL-RCCFBDPRSA-N 1 3 354.458 0.743 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000569025147 491628201 /nfs/dbraw/zinc/62/82/01/491628201.db2.gz BWWFBTIEHZROJA-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968642 491642968 /nfs/dbraw/zinc/64/29/68/491642968.db2.gz OFXKXMWQIDJLPZ-GOEBONIOSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968642 491642970 /nfs/dbraw/zinc/64/29/70/491642970.db2.gz OFXKXMWQIDJLPZ-GOEBONIOSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968643 491643405 /nfs/dbraw/zinc/64/34/05/491643405.db2.gz OFXKXMWQIDJLPZ-HOCLYGCPSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968643 491643407 /nfs/dbraw/zinc/64/34/07/491643407.db2.gz OFXKXMWQIDJLPZ-HOCLYGCPSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCN1C ZINC000561997895 491645156 /nfs/dbraw/zinc/64/51/56/491645156.db2.gz XROVUMXUPSVTTI-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCN1C ZINC000561997895 491645160 /nfs/dbraw/zinc/64/51/60/491645160.db2.gz XROVUMXUPSVTTI-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001719 491646051 /nfs/dbraw/zinc/64/60/51/491646051.db2.gz OOSDDZPSSASEEV-GJZGRUSLSA-N 1 3 350.463 0.769 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001719 491646053 /nfs/dbraw/zinc/64/60/53/491646053.db2.gz OOSDDZPSSASEEV-GJZGRUSLSA-N 1 3 350.463 0.769 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000577726819 491646332 /nfs/dbraw/zinc/64/63/32/491646332.db2.gz IVIPKAQRTVCOJL-GOSISDBHSA-N 1 3 356.470 0.640 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000577955747 491665725 /nfs/dbraw/zinc/66/57/25/491665725.db2.gz GREGELHLQLWFTJ-AEFFLSMTSA-N 1 3 352.523 0.805 20 0 FCADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000578339474 491675087 /nfs/dbraw/zinc/67/50/87/491675087.db2.gz HGAJZGFRRKVHST-IRXDYDNUSA-N 1 3 365.522 0.698 20 0 FCADHO COCc1cnc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000578662399 491681960 /nfs/dbraw/zinc/68/19/60/491681960.db2.gz VALHHDKTWWCWQO-UHFFFAOYSA-N 1 3 357.480 0.180 20 0 FCADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000579130157 491691690 /nfs/dbraw/zinc/69/16/90/491691690.db2.gz NJTNERQCIJHYGE-SJORKVTESA-N 1 3 359.474 0.244 20 0 FCADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000579259592 491694250 /nfs/dbraw/zinc/69/42/50/491694250.db2.gz XLLYKTJBVPQCHA-SJLPKXTDSA-N 1 3 374.485 0.791 20 0 FCADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCN2CCNC2=O)CC1 ZINC000579437623 491697919 /nfs/dbraw/zinc/69/79/19/491697919.db2.gz DJUIAPONMCWGBP-UHFFFAOYSA-N 1 3 353.511 0.428 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000579461750 491698219 /nfs/dbraw/zinc/69/82/19/491698219.db2.gz PIFKOKIQLTUMIK-CVEARBPZSA-N 1 3 350.507 0.776 20 0 FCADHO NC[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590128 491700989 /nfs/dbraw/zinc/70/09/89/491700989.db2.gz KLWIMVAAWVSJPM-KSZLIROESA-N 1 3 371.485 0.476 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@@H]1C[NH3+] ZINC000579607392 491701408 /nfs/dbraw/zinc/70/14/08/491701408.db2.gz WEKDRAPBBJCHHV-IXDOHACOSA-N 1 3 350.507 0.907 20 0 FCADHO Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000579616260 491701689 /nfs/dbraw/zinc/70/16/89/491701689.db2.gz KPXOEBSSKPNSAO-IKGGRYGDSA-N 1 3 359.474 0.551 20 0 FCADHO Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[NH+](C)C)cc1 ZINC000579616259 491701816 /nfs/dbraw/zinc/70/18/16/491701816.db2.gz KPXOEBSSKPNSAO-BBWFWOEESA-N 1 3 359.474 0.551 20 0 FCADHO CN1CCC[C@H]1C(=O)NCCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000579619563 491702043 /nfs/dbraw/zinc/70/20/43/491702043.db2.gz UUKNXUKFYCBAEP-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCC[C@H]1C(=O)NCCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000579619563 491702044 /nfs/dbraw/zinc/70/20/44/491702044.db2.gz UUKNXUKFYCBAEP-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)nnn1C1CC[NH2+]CC1 ZINC000584589441 491708650 /nfs/dbraw/zinc/70/86/50/491708650.db2.gz RBQZNWPKYPTRHD-MRXNPFEDSA-N 1 3 364.494 0.694 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](CC)O1 ZINC000579944051 491710373 /nfs/dbraw/zinc/71/03/73/491710373.db2.gz MICXEMDRQIMVIV-HZPDHXFCSA-N 1 3 356.511 0.354 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000580006183 491713541 /nfs/dbraw/zinc/71/35/41/491713541.db2.gz OOODIOQGGBMAOA-JKSUJKDBSA-N 1 3 350.507 0.991 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000580075077 491716155 /nfs/dbraw/zinc/71/61/55/491716155.db2.gz UEEYQWWQRYDRRN-KGLIPLIRSA-N 1 3 350.463 0.485 20 0 FCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[N@H+](C)CC1)C2 ZINC000584859394 491717605 /nfs/dbraw/zinc/71/76/05/491717605.db2.gz JCGHLGPUYQLOTP-MQVJKMGUSA-N 1 3 351.495 0.417 20 0 FCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[N@@H+](C)CC1)C2 ZINC000584859394 491717606 /nfs/dbraw/zinc/71/76/06/491717606.db2.gz JCGHLGPUYQLOTP-MQVJKMGUSA-N 1 3 351.495 0.417 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100177 491734677 /nfs/dbraw/zinc/73/46/77/491734677.db2.gz WBPPURCXGMENPL-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100177 491734679 /nfs/dbraw/zinc/73/46/79/491734679.db2.gz WBPPURCXGMENPL-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]2C1 ZINC000580925983 491751773 /nfs/dbraw/zinc/75/17/73/491751773.db2.gz RIPHLDYCPWDBNG-RCCFBDPRSA-N 1 3 367.538 0.768 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542702 493360187 /nfs/dbraw/zinc/36/01/87/493360187.db2.gz FZBHJTSHILQDCJ-FUHWJXTLSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542702 493360189 /nfs/dbraw/zinc/36/01/89/493360189.db2.gz FZBHJTSHILQDCJ-FUHWJXTLSA-N 1 3 371.485 0.673 20 0 FCADHO COC[C@@]1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[NH2+]C1 ZINC000580949338 491752862 /nfs/dbraw/zinc/75/28/62/491752862.db2.gz LTHUDENPDJDEOC-GOSISDBHSA-N 1 3 362.430 0.721 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542699 493360514 /nfs/dbraw/zinc/36/05/14/493360514.db2.gz FZBHJTSHILQDCJ-AEFFLSMTSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542699 493360517 /nfs/dbraw/zinc/36/05/17/493360517.db2.gz FZBHJTSHILQDCJ-AEFFLSMTSA-N 1 3 371.485 0.673 20 0 FCADHO CC(=O)N1CCN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891533 491789218 /nfs/dbraw/zinc/78/92/18/491789218.db2.gz OBZJKKKIUKLFNX-AZUAARDMSA-N 1 3 358.486 0.996 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCC2CC[NH2+]CC2)c1 ZINC000581932784 491790695 /nfs/dbraw/zinc/79/06/95/491790695.db2.gz GSAYKSSAXFPRIR-UHFFFAOYSA-N 1 3 361.490 0.777 20 0 FCADHO COc1cccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000581940540 491791124 /nfs/dbraw/zinc/79/11/24/491791124.db2.gz OYYOJLRAAQWXHH-ROUUACIJSA-N 1 3 374.485 0.817 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000591586489 491809574 /nfs/dbraw/zinc/80/95/74/491809574.db2.gz MGCLHJUCZBEZOG-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668813 491821780 /nfs/dbraw/zinc/82/17/80/491821780.db2.gz MFMRLMFENJMCCJ-HDEZJCGLSA-N 1 3 363.506 0.606 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)CC(C)C ZINC000582976831 491835001 /nfs/dbraw/zinc/83/50/01/491835001.db2.gz UXYKILHHHPDOAE-XHSDSOJGSA-N 1 3 353.511 0.696 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253362 491840930 /nfs/dbraw/zinc/84/09/30/491840930.db2.gz QOZMQHSSSYHGMH-KBPBESRZSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253362 491840931 /nfs/dbraw/zinc/84/09/31/491840931.db2.gz QOZMQHSSSYHGMH-KBPBESRZSA-N 1 3 354.495 0.548 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000583257353 491840993 /nfs/dbraw/zinc/84/09/93/491840993.db2.gz BRAOBKQPNPGQGF-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1cc(Cn2nnc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2C)on1 ZINC000583886088 491854210 /nfs/dbraw/zinc/85/42/10/491854210.db2.gz VBTIBBCPEISEGZ-UHFFFAOYSA-N 1 3 363.466 0.497 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583919919 491854699 /nfs/dbraw/zinc/85/46/99/491854699.db2.gz QTRUIAFYPZVPNH-LJQANCHMSA-N 1 3 360.458 0.907 20 0 FCADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000583984587 491856003 /nfs/dbraw/zinc/85/60/03/491856003.db2.gz HGDQZBUEPZLHHW-SJORKVTESA-N 1 3 362.518 0.969 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000584014427 491856743 /nfs/dbraw/zinc/85/67/43/491856743.db2.gz NZWMHNYWAHANNT-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO CO[C@H](CN)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000584050009 491857245 /nfs/dbraw/zinc/85/72/45/491857245.db2.gz FCOLZFDMTNBIED-GOSISDBHSA-N 1 3 365.474 0.766 20 0 FCADHO CO[C@H](CN)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000584050009 491857246 /nfs/dbraw/zinc/85/72/46/491857246.db2.gz FCOLZFDMTNBIED-GOSISDBHSA-N 1 3 365.474 0.766 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3C[NH2+]CCN3C)c2)CC1 ZINC000584220013 491860820 /nfs/dbraw/zinc/86/08/20/491860820.db2.gz DNLXIUJJIQOZCU-GOSISDBHSA-N 1 3 360.506 0.854 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000584226086 491861036 /nfs/dbraw/zinc/86/10/36/491861036.db2.gz LIVHOLUZMWYDLR-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000584349040 491863550 /nfs/dbraw/zinc/86/35/50/491863550.db2.gz YYPLTPMSSWXXCL-OAFZBRQQSA-N 1 3 353.507 0.728 20 0 FCADHO CCN1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594885712 491871253 /nfs/dbraw/zinc/87/12/53/491871253.db2.gz DHCCJRXMAGNCRF-QZTJIDSGSA-N 1 3 371.485 0.213 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612593880 491936164 /nfs/dbraw/zinc/93/61/64/491936164.db2.gz GBIXKYJFIFVQFI-MRXNPFEDSA-N 1 3 354.495 0.156 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595057 491936811 /nfs/dbraw/zinc/93/68/11/491936811.db2.gz ITAROEVBKUOYPL-QGZVFWFLSA-N 1 3 366.506 0.300 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967151 492007595 /nfs/dbraw/zinc/00/75/95/492007595.db2.gz SOHBIMPCQQNSLQ-JYJNAYRXSA-N 1 3 354.495 0.996 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967151 492007596 /nfs/dbraw/zinc/00/75/96/492007596.db2.gz SOHBIMPCQQNSLQ-JYJNAYRXSA-N 1 3 354.495 0.996 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642104453 492334725 /nfs/dbraw/zinc/33/47/25/492334725.db2.gz UNPXXTMSGFYWQM-OKZBNKHCSA-N 1 3 358.486 0.486 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000642540955 492362874 /nfs/dbraw/zinc/36/28/74/492362874.db2.gz RJZJRPPOPOZCMC-UHFFFAOYSA-N 1 3 364.515 0.945 20 0 FCADHO CN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)CCN1CC[NH2+]CC1 ZINC000647834969 492368419 /nfs/dbraw/zinc/36/84/19/492368419.db2.gz HMEMDBXMTHLASM-UHFFFAOYSA-N 1 3 370.519 0.153 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000642725993 492380444 /nfs/dbraw/zinc/38/04/44/492380444.db2.gz XPRVABHVBUUPKR-MAUKXSAKSA-N 1 3 370.497 0.412 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)Cc2ccccc2C1 ZINC000642725994 492380967 /nfs/dbraw/zinc/38/09/67/492380967.db2.gz XPRVABHVBUUPKR-QAPCUYQASA-N 1 3 370.497 0.412 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975912 492389644 /nfs/dbraw/zinc/38/96/44/492389644.db2.gz HNFKQVNCVBWULR-SZMVWBNQSA-N 1 3 350.507 0.777 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)C(=O)[C@H]3C)CC2)CC1 ZINC000655009820 492391331 /nfs/dbraw/zinc/39/13/31/492391331.db2.gz ZKJGKHFXYJRUHK-OAHLLOKOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC000655018915 492392424 /nfs/dbraw/zinc/39/24/24/492392424.db2.gz LWZRIWOGZKRUAL-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642806197 492395649 /nfs/dbraw/zinc/39/56/49/492395649.db2.gz KEFWJZPIKIMEAD-CQSZACIVSA-N 1 3 354.495 0.250 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887404 492397369 /nfs/dbraw/zinc/39/73/69/492397369.db2.gz SZJGHUCNVLBFKR-RANZSIQMSA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887404 492397374 /nfs/dbraw/zinc/39/73/74/492397374.db2.gz SZJGHUCNVLBFKR-RANZSIQMSA-N 1 3 374.460 0.822 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896485 492398207 /nfs/dbraw/zinc/39/82/07/492398207.db2.gz POTJQTFNWVXXJL-SFHVURJKSA-N 1 3 358.486 0.978 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000642902137 492399380 /nfs/dbraw/zinc/39/93/80/492399380.db2.gz LCFKLKGPOQSBTC-MSOLQXFVSA-N 1 3 358.486 0.835 20 0 FCADHO O=C([C@@H]1CNCCOC1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119103 492402243 /nfs/dbraw/zinc/40/22/43/492402243.db2.gz OMXPOFITFKUIJE-KGLIPLIRSA-N 1 3 350.488 0.850 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919937 492404091 /nfs/dbraw/zinc/40/40/91/492404091.db2.gz OLUMBCPPSCSNBO-UHFFFAOYSA-N 1 3 358.486 0.978 20 0 FCADHO CC1(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC[NH2+]CC1 ZINC000642972206 492409435 /nfs/dbraw/zinc/40/94/35/492409435.db2.gz YGFVXICNARTYOE-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984285 492411177 /nfs/dbraw/zinc/41/11/77/492411177.db2.gz BXICLCQMLURPPB-NJAFHUGGSA-N 1 3 358.486 0.976 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621838587 492421338 /nfs/dbraw/zinc/42/13/38/492421338.db2.gz GGSYZFBOOLFZQD-POORBHPNSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621838777 492422255 /nfs/dbraw/zinc/42/22/55/492422255.db2.gz JDJOICSSXUHRJX-CLCXKQKWSA-N 1 3 350.507 0.953 20 0 FCADHO CN1CCCC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000635456220 492451483 /nfs/dbraw/zinc/45/14/83/492451483.db2.gz ARJLVUNPVQKBNG-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C[C@@H]21 ZINC000643478979 492475088 /nfs/dbraw/zinc/47/50/88/492475088.db2.gz YBBXFEWEMRNQEL-HYVNUMGLSA-N 1 3 357.458 0.316 20 0 FCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000643494215 492481998 /nfs/dbraw/zinc/48/19/98/492481998.db2.gz QTMRXSDRKJVNJC-QGZVFWFLSA-N 1 3 350.507 0.908 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000643503013 492483960 /nfs/dbraw/zinc/48/39/60/492483960.db2.gz YMEZVBDBDBDFFE-OWCLPIDISA-N 1 3 354.495 0.141 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CCN(CC)CC)CC[C@H]1[NH3+] ZINC000643511217 492485775 /nfs/dbraw/zinc/48/57/75/492485775.db2.gz SNACTVPLZIVBFI-HZPDHXFCSA-N 1 3 356.511 0.389 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000643531887 492492095 /nfs/dbraw/zinc/49/20/95/492492095.db2.gz SRSJXPYXDWVKOG-GUDVDZBRSA-N 1 3 370.497 0.930 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)c3ccncc3)CC2)CC1 ZINC000622903399 492494318 /nfs/dbraw/zinc/49/43/18/492494318.db2.gz ILDLKABOTSROTI-UHFFFAOYSA-N 1 3 359.474 0.486 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643560009 492498828 /nfs/dbraw/zinc/49/88/28/492498828.db2.gz DZPWJZVAIREGKE-UHFFFAOYSA-N 1 3 352.504 0.978 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)C1 ZINC000643590196 492501778 /nfs/dbraw/zinc/50/17/78/492501778.db2.gz DDHVKCJTLUZETE-FQEVSTJZSA-N 1 3 362.518 0.921 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000643592225 492502655 /nfs/dbraw/zinc/50/26/55/492502655.db2.gz JELSTSIQBAEBAM-GOSISDBHSA-N 1 3 358.486 0.930 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643594553 492503683 /nfs/dbraw/zinc/50/36/83/492503683.db2.gz PLMWLNKAWYCPLC-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H](N)C3)C2)C1 ZINC000643593934 492503826 /nfs/dbraw/zinc/50/38/26/492503826.db2.gz JOJPSHCUVKZJEV-SQGPQFPESA-N 1 3 374.460 0.633 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4cccc(F)c4)[C@H](N)C3)C2)C1 ZINC000643593934 492503829 /nfs/dbraw/zinc/50/38/29/492503829.db2.gz JOJPSHCUVKZJEV-SQGPQFPESA-N 1 3 374.460 0.633 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000649311549 492528658 /nfs/dbraw/zinc/52/86/58/492528658.db2.gz YWJXXIQFKCFSRH-OAHLLOKOSA-N 1 3 368.428 0.839 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649327692 492535522 /nfs/dbraw/zinc/53/55/22/492535522.db2.gz FCCYGUVZYZHLCB-HNNXBMFYSA-N 1 3 368.428 0.839 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649351708 492544630 /nfs/dbraw/zinc/54/46/30/492544630.db2.gz LDJLARWASIFPAA-ZDUSSCGKSA-N 1 3 356.434 0.212 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354742 492547365 /nfs/dbraw/zinc/54/73/65/492547365.db2.gz IOUZZWZIPNHPFN-NVXWUHKLSA-N 1 3 371.485 0.999 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354742 492547368 /nfs/dbraw/zinc/54/73/68/492547368.db2.gz IOUZZWZIPNHPFN-NVXWUHKLSA-N 1 3 371.485 0.999 20 0 FCADHO COC[C@H]1C[C@@H](O)CN1Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2COC)c1 ZINC000649763911 492581421 /nfs/dbraw/zinc/58/14/21/492581421.db2.gz JSARCUNJYORZMY-UAFMIMERSA-N 1 3 364.486 0.850 20 0 FCADHO COc1cccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)N(C)C)c1 ZINC000636473404 492595110 /nfs/dbraw/zinc/59/51/10/492595110.db2.gz ZOSBGQBVUWYXFZ-RDJZCZTQSA-N 1 3 350.463 0.664 20 0 FCADHO COc1cccc([C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)N(C)C)c1 ZINC000636473404 492595112 /nfs/dbraw/zinc/59/51/12/492595112.db2.gz ZOSBGQBVUWYXFZ-RDJZCZTQSA-N 1 3 350.463 0.664 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCS(=O)(=O)NC)CC2)CC1 ZINC000629337230 492611955 /nfs/dbraw/zinc/61/19/55/492611955.db2.gz ULOYQEULFLXUKG-UHFFFAOYSA-N 1 3 374.551 0.238 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665025 492653913 /nfs/dbraw/zinc/65/39/13/492653913.db2.gz YTMCYZINTRMMBV-YOEHRIQHSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000644152291 492654236 /nfs/dbraw/zinc/65/42/36/492654236.db2.gz RLJJHAYEXQQNFT-LJQANCHMSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000644152291 492654239 /nfs/dbraw/zinc/65/42/39/492654239.db2.gz RLJJHAYEXQQNFT-LJQANCHMSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H](CCNS(=O)(=O)c1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629581283 492656616 /nfs/dbraw/zinc/65/66/16/492656616.db2.gz UWORMYSRKWIMHO-CVEARBPZSA-N 1 3 355.504 0.790 20 0 FCADHO CN1CCN(c2ncc(CN3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707091 492664058 /nfs/dbraw/zinc/66/40/58/492664058.db2.gz YICJULYDGDLHNG-GBESFXJTSA-N 1 3 374.533 0.947 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@]3(O)CCCOC3)CC2)CC1 ZINC000650798856 492669035 /nfs/dbraw/zinc/66/90/35/492669035.db2.gz LIVBXHAGUAMUAX-LJQANCHMSA-N 1 3 368.522 0.776 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644291251 492693033 /nfs/dbraw/zinc/69/30/33/492693033.db2.gz UXIMSOMOHXXKSQ-ZACQAIPSSA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644291251 492693034 /nfs/dbraw/zinc/69/30/34/492693034.db2.gz UXIMSOMOHXXKSQ-ZACQAIPSSA-N 1 3 367.538 0.299 20 0 FCADHO CC(C)CN1CCO[C@H](Cn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630588250 492754821 /nfs/dbraw/zinc/75/48/21/492754821.db2.gz BIGKZTQYNOGGNI-SFHVURJKSA-N 1 3 350.511 0.601 20 0 FCADHO CC(C)CN(CCn1cc(CN2CCN(C)CC2)nn1)CC[NH+](C)C ZINC000630610621 492755662 /nfs/dbraw/zinc/75/56/62/492755662.db2.gz OCJHNQSFGMRULW-UHFFFAOYSA-N 1 3 351.543 0.545 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439644 492757857 /nfs/dbraw/zinc/75/78/57/492757857.db2.gz RXYPCLOBHOYUCN-HKUYNNGSSA-N 1 3 370.538 0.976 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651439644 492757863 /nfs/dbraw/zinc/75/78/63/492757863.db2.gz RXYPCLOBHOYUCN-HKUYNNGSSA-N 1 3 370.538 0.976 20 0 FCADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000657874431 492808003 /nfs/dbraw/zinc/80/80/03/492808003.db2.gz RSVKXJPJUTXVTF-QGZVFWFLSA-N 1 3 371.485 0.675 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000651845316 492833144 /nfs/dbraw/zinc/83/31/44/492833144.db2.gz IWYBKYUSDOYBDC-OAHLLOKOSA-N 1 3 350.467 0.324 20 0 FCADHO c1nc2n(n1)[C@H](CN1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830215 492859159 /nfs/dbraw/zinc/85/91/59/492859159.db2.gz MMHNHONSLNUFTE-GJZGRUSLSA-N 1 3 356.478 0.778 20 0 FCADHO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631901308 492873574 /nfs/dbraw/zinc/87/35/74/492873574.db2.gz YJHQMJDNOFFTJS-MRXNPFEDSA-N 1 3 370.519 0.252 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000645183657 492876476 /nfs/dbraw/zinc/87/64/76/492876476.db2.gz LRXXHOWMKDSKNZ-KGLIPLIRSA-N 1 3 350.488 0.869 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652149230 492887270 /nfs/dbraw/zinc/88/72/70/492887270.db2.gz XDBRUBWYALIKFC-KXBFYZLASA-N 1 3 365.522 0.700 20 0 FCADHO CCCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000645305419 492890349 /nfs/dbraw/zinc/89/03/49/492890349.db2.gz RMDIQUGTMFBNCW-CVEARBPZSA-N 1 3 353.511 0.700 20 0 FCADHO CCCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCN(C)C1 ZINC000645305419 492890353 /nfs/dbraw/zinc/89/03/53/492890353.db2.gz RMDIQUGTMFBNCW-CVEARBPZSA-N 1 3 353.511 0.700 20 0 FCADHO COc1cc(CNC(=O)CN2CC[NH2+]CC2)ccc1OCCN(C)C ZINC000638075277 492901112 /nfs/dbraw/zinc/90/11/12/492901112.db2.gz DERCUTSXSBNLNR-UHFFFAOYSA-N 1 3 350.463 0.157 20 0 FCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000638089680 492903514 /nfs/dbraw/zinc/90/35/14/492903514.db2.gz CRPQGBSEAKIYJL-ACJLOTCBSA-N 1 3 362.430 0.862 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638099886 492905622 /nfs/dbraw/zinc/90/56/22/492905622.db2.gz WDKNTDDXZUCQCM-UHFFFAOYSA-N 1 3 372.513 0.887 20 0 FCADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348599 492913124 /nfs/dbraw/zinc/91/31/24/492913124.db2.gz JUXLDSGVPCFAOW-JYJNAYRXSA-N 1 3 363.524 0.161 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652348464 492913717 /nfs/dbraw/zinc/91/37/17/492913717.db2.gz FGWABOUVCDHGQU-XSLAGTTESA-N 1 3 352.523 0.757 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348164 492913790 /nfs/dbraw/zinc/91/37/90/492913790.db2.gz WGJJZDMOODWHLC-DRRXZNNHSA-N 1 3 366.506 0.317 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000652463671 492939617 /nfs/dbraw/zinc/93/96/17/492939617.db2.gz PPPLWIGDOKVCIT-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000652463671 492939621 /nfs/dbraw/zinc/93/96/21/492939621.db2.gz PPPLWIGDOKVCIT-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638727688 492973040 /nfs/dbraw/zinc/97/30/40/492973040.db2.gz IUEJGLSMUJQGHW-INIZCTEOSA-N 1 3 366.506 0.348 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCCO1 ZINC000652669160 492983055 /nfs/dbraw/zinc/98/30/55/492983055.db2.gz XORIZTYUKZUHMQ-OAHLLOKOSA-N 1 3 354.495 0.191 20 0 FCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000652690645 492991249 /nfs/dbraw/zinc/99/12/49/492991249.db2.gz KYZYMIJBMGWMIC-UHFFFAOYSA-N 1 3 366.506 0.254 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693221 492992258 /nfs/dbraw/zinc/99/22/58/492992258.db2.gz PPEBSOJPAZSLQL-YESZJQIVSA-N 1 3 368.522 0.579 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000652731137 493009243 /nfs/dbraw/zinc/00/92/43/493009243.db2.gz CAQILRHVPNNFNZ-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH+](C)C)o1 ZINC000658792692 493056866 /nfs/dbraw/zinc/05/68/66/493056866.db2.gz GVHUYHYCLCNBHO-UHFFFAOYSA-N 1 3 352.479 0.888 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000646666682 493081794 /nfs/dbraw/zinc/08/17/94/493081794.db2.gz WZJCPFDQTSSPIF-ROUUACIJSA-N 1 3 373.501 0.607 20 0 FCADHO CCN1CCN(CCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653260798 493087112 /nfs/dbraw/zinc/08/71/12/493087112.db2.gz LGPRJRXKBVZYCK-KURKYZTESA-N 1 3 352.523 0.901 20 0 FCADHO CCN1CCN(CCC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653260800 493087476 /nfs/dbraw/zinc/08/74/76/493087476.db2.gz LGPRJRXKBVZYCK-RCCFBDPRSA-N 1 3 352.523 0.901 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nn(C)cc1Br ZINC000640313914 493093830 /nfs/dbraw/zinc/09/38/30/493093830.db2.gz VJXFOIYTXLIIMT-UHFFFAOYSA-N 1 3 361.288 1.140 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000633041274 493109026 /nfs/dbraw/zinc/10/90/26/493109026.db2.gz VGUYIMPYXWGETB-NEPJUHHUSA-N 1 3 352.410 0.653 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259662 493121885 /nfs/dbraw/zinc/12/18/85/493121885.db2.gz XHBHHQHJWCPJRE-VQTJNVASSA-N 1 3 372.513 0.715 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259662 493121887 /nfs/dbraw/zinc/12/18/87/493121887.db2.gz XHBHHQHJWCPJRE-VQTJNVASSA-N 1 3 372.513 0.715 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1=O ZINC000633106576 493128863 /nfs/dbraw/zinc/12/88/63/493128863.db2.gz VLZPFKRIYFZZPZ-HRCADAONSA-N 1 3 354.495 0.155 20 0 FCADHO CCCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CCN(C)C1 ZINC000646984081 493142041 /nfs/dbraw/zinc/14/20/41/493142041.db2.gz IKHUMLKOVJQBCZ-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1c(F)cccc1F ZINC000659318647 493190214 /nfs/dbraw/zinc/19/02/14/493190214.db2.gz UGFFEXMVFFLBKP-UHFFFAOYSA-N 1 3 370.444 0.875 20 0 FCADHO CCO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC000659318511 493190321 /nfs/dbraw/zinc/19/03/21/493190321.db2.gz INHUWCODXKFMAO-HOTGVXAUSA-N 1 3 356.511 0.212 20 0 FCADHO CN(CCOCC[NH3+])C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000627382925 493192391 /nfs/dbraw/zinc/19/23/91/493192391.db2.gz NOPWIRPXBZMEMJ-UHFFFAOYSA-N 1 3 368.522 0.583 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000659490626 493195173 /nfs/dbraw/zinc/19/51/73/493195173.db2.gz ZIQIHUPKEFACHZ-HNNXBMFYSA-N 1 3 370.457 0.962 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659490626 493195179 /nfs/dbraw/zinc/19/51/79/493195179.db2.gz ZIQIHUPKEFACHZ-HNNXBMFYSA-N 1 3 370.457 0.962 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000672695785 493234503 /nfs/dbraw/zinc/23/45/03/493234503.db2.gz HWZKCADPQCKZQN-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000672695785 493234506 /nfs/dbraw/zinc/23/45/06/493234506.db2.gz HWZKCADPQCKZQN-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000666927122 493238772 /nfs/dbraw/zinc/23/87/72/493238772.db2.gz GNPQCVLHZDEXMB-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000666927122 493238774 /nfs/dbraw/zinc/23/87/74/493238774.db2.gz GNPQCVLHZDEXMB-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666979323 493245380 /nfs/dbraw/zinc/24/53/80/493245380.db2.gz TYBWCRACPFKBGF-XDNAFOTISA-N 1 3 366.506 0.527 20 0 FCADHO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666979323 493245384 /nfs/dbraw/zinc/24/53/84/493245384.db2.gz TYBWCRACPFKBGF-XDNAFOTISA-N 1 3 366.506 0.527 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659687690 493253208 /nfs/dbraw/zinc/25/32/08/493253208.db2.gz XSSWEZCKOIQFMJ-UHFFFAOYSA-N 1 3 362.474 0.631 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N(C)C1CC1 ZINC000659701281 493261394 /nfs/dbraw/zinc/26/13/94/493261394.db2.gz CVXWMBRVAPCTJK-ZBFHGGJFSA-N 1 3 350.507 0.824 20 0 FCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659727508 493275076 /nfs/dbraw/zinc/27/50/76/493275076.db2.gz GRNIIYLHDUVTBB-UHFFFAOYSA-N 1 3 361.490 0.606 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659738644 493279835 /nfs/dbraw/zinc/27/98/35/493279835.db2.gz HIWJPFLJLDEZQT-ULQDDVLXSA-N 1 3 366.506 0.332 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000659739377 493280646 /nfs/dbraw/zinc/28/06/46/493280646.db2.gz RZCHIBBBNIQBHZ-IXDOHACOSA-N 1 3 362.449 0.679 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000659751326 493285883 /nfs/dbraw/zinc/28/58/83/493285883.db2.gz GNXNGMHFCQSENS-AWEZNQCLSA-N 1 3 350.463 0.310 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659750512 493286167 /nfs/dbraw/zinc/28/61/67/493286167.db2.gz CLUSSCMWCJUTGV-NVXWUHKLSA-N 1 3 361.490 0.619 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170754 493332139 /nfs/dbraw/zinc/33/21/39/493332139.db2.gz FWPILKXWYHUPTN-DLBZAZTESA-N 1 3 366.506 0.252 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170759 493332220 /nfs/dbraw/zinc/33/22/20/493332220.db2.gz FWPILKXWYHUPTN-SJORKVTESA-N 1 3 366.506 0.252 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000660693056 493373060 /nfs/dbraw/zinc/37/30/60/493373060.db2.gz VIWWSROTRBCGQI-UHFFFAOYSA-N 1 3 354.539 0.659 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668546447 493374257 /nfs/dbraw/zinc/37/42/57/493374257.db2.gz ZTZGRKSNHRGLTP-BBWFWOEESA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000668546447 493374259 /nfs/dbraw/zinc/37/42/59/493374259.db2.gz ZTZGRKSNHRGLTP-BBWFWOEESA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982733 493379594 /nfs/dbraw/zinc/37/95/94/493379594.db2.gz NKFKNXDOTXCHEP-AEFFLSMTSA-N 1 3 369.579 0.845 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982733 493379595 /nfs/dbraw/zinc/37/95/95/493379595.db2.gz NKFKNXDOTXCHEP-AEFFLSMTSA-N 1 3 369.579 0.845 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000675194228 493472888 /nfs/dbraw/zinc/47/28/88/493472888.db2.gz PEXHQTNQJQLSAI-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000669273728 493487496 /nfs/dbraw/zinc/48/74/96/493487496.db2.gz GGFBLZWTRBGNCQ-ULQDDVLXSA-N 1 3 366.506 0.081 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298999 493504548 /nfs/dbraw/zinc/50/45/48/493504548.db2.gz ZDKNVTWVZUVYDO-RHSMWYFYSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669462501 493505237 /nfs/dbraw/zinc/50/52/37/493505237.db2.gz QHJWDHQJUSYQLV-QAPCUYQASA-N 1 3 364.490 0.927 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669491031 493507326 /nfs/dbraw/zinc/50/73/26/493507326.db2.gz IZHFMLWNBKDIAV-HOTGVXAUSA-N 1 3 351.495 0.500 20 0 FCADHO C[C@H](CN1CCOCC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337597 493507646 /nfs/dbraw/zinc/50/76/46/493507646.db2.gz LUOQFZRUUKUXTM-IAGOWNOFSA-N 1 3 362.522 0.719 20 0 FCADHO C[C@@H]1CN(CCN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338480 493508132 /nfs/dbraw/zinc/50/81/32/493508132.db2.gz SASAQAYKUXIJRN-IAGOWNOFSA-N 1 3 362.522 0.719 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC1 ZINC000662453414 493516745 /nfs/dbraw/zinc/51/67/45/493516745.db2.gz YBBPVGIEVSSNGP-CQSZACIVSA-N 1 3 364.494 0.740 20 0 FCADHO C[C@@H](NC1(CNC(=O)c2cn(CC[NH3+])nn2)CCOCC1)c1ccccc1 ZINC000662461102 493518092 /nfs/dbraw/zinc/51/80/92/493518092.db2.gz ZTABLBOTBLDMFR-OAHLLOKOSA-N 1 3 372.473 0.867 20 0 FCADHO COc1cc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])ccc1OCCN(C)C ZINC000662691692 493532167 /nfs/dbraw/zinc/53/21/67/493532167.db2.gz LMHBDIJBGGBJAI-PBHICJAKSA-N 1 3 351.447 0.616 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662714792 493534265 /nfs/dbraw/zinc/53/42/65/493534265.db2.gz BNERZIRVIUFLEM-HNNXBMFYSA-N 1 3 364.412 0.541 20 0 FCADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000662724672 493535450 /nfs/dbraw/zinc/53/54/50/493535450.db2.gz SGVWLGBULJCPDD-QZTJIDSGSA-N 1 3 374.485 0.492 20 0 FCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000662724671 493535537 /nfs/dbraw/zinc/53/55/37/493535537.db2.gz SGVWLGBULJCPDD-MSOLQXFVSA-N 1 3 374.485 0.492 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662755496 493539013 /nfs/dbraw/zinc/53/90/13/493539013.db2.gz CFOJIKNKILHBEW-RBUKOAKNSA-N 1 3 360.502 0.804 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676307218 493544656 /nfs/dbraw/zinc/54/46/56/493544656.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 1 3 369.554 0.763 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676307218 493544658 /nfs/dbraw/zinc/54/46/58/493544658.db2.gz OEDDUGUCHSCNSR-KZNAEPCWSA-N 1 3 369.554 0.763 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836938 493545819 /nfs/dbraw/zinc/54/58/19/493545819.db2.gz IPYVIZVOSMFXAH-UONOGXRCSA-N 1 3 362.478 0.459 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836938 493545821 /nfs/dbraw/zinc/54/58/21/493545821.db2.gz IPYVIZVOSMFXAH-UONOGXRCSA-N 1 3 362.478 0.459 20 0 FCADHO N[C@H]1CCCCN(CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000662859843 493547488 /nfs/dbraw/zinc/54/74/88/493547488.db2.gz SUEQNMMMRCEEKG-SFHVURJKSA-N 1 3 373.501 0.750 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927811 493554882 /nfs/dbraw/zinc/55/48/82/493554882.db2.gz GCMAPWWUPNGQQA-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662930387 493555384 /nfs/dbraw/zinc/55/53/84/493555384.db2.gz PNXIALLLKXLCNJ-UHFFFAOYSA-N 1 3 360.502 0.961 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000662949081 493559425 /nfs/dbraw/zinc/55/94/25/493559425.db2.gz RGARRJRJASQGNG-IBGZPJMESA-N 1 3 372.513 0.959 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000662951548 493559904 /nfs/dbraw/zinc/55/99/04/493559904.db2.gz LSNDDAHCRGJTJE-RXVVDRJESA-N 1 3 372.513 0.959 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000662954361 493560645 /nfs/dbraw/zinc/56/06/45/493560645.db2.gz UUQGBWFVHCLIKC-LJQANCHMSA-N 1 3 372.513 0.972 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662954219 493560681 /nfs/dbraw/zinc/56/06/81/493560681.db2.gz SXMVTPAQIGVTBY-QXAKKESOSA-N 1 3 372.513 0.958 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662972181 493562408 /nfs/dbraw/zinc/56/24/08/493562408.db2.gz ANUSNDSQVUHSFY-OALUTQOASA-N 1 3 372.513 0.972 20 0 FCADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016840 493566785 /nfs/dbraw/zinc/56/67/85/493566785.db2.gz GHLIODCZUGSYMJ-HZPDHXFCSA-N 1 3 372.517 0.915 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000677129007 493585577 /nfs/dbraw/zinc/58/55/77/493585577.db2.gz KAGHKVMMCXOSJJ-MSOLQXFVSA-N 1 3 370.501 0.804 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000670709290 493589310 /nfs/dbraw/zinc/58/93/10/493589310.db2.gz SYAHCIHQLDAJDC-QGZVFWFLSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[NH+]1CCC(C)CC1 ZINC000663848700 493621205 /nfs/dbraw/zinc/62/12/05/493621205.db2.gz LWAFDWUWBZBMJI-MRXNPFEDSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104568 493634739 /nfs/dbraw/zinc/63/47/39/493634739.db2.gz WEPMBMPKUBKBLT-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104568 493634741 /nfs/dbraw/zinc/63/47/41/493634741.db2.gz WEPMBMPKUBKBLT-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664141314 493639584 /nfs/dbraw/zinc/63/95/84/493639584.db2.gz MSMSTWWYPYXQBS-QAETUUGQSA-N 1 3 356.511 0.440 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000664141314 493639586 /nfs/dbraw/zinc/63/95/86/493639586.db2.gz MSMSTWWYPYXQBS-QAETUUGQSA-N 1 3 356.511 0.440 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000671365613 493660822 /nfs/dbraw/zinc/66/08/22/493660822.db2.gz IVUDAKMYWYURDF-IRXDYDNUSA-N 1 3 367.538 0.071 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000664743726 493681080 /nfs/dbraw/zinc/68/10/80/493681080.db2.gz FNPJYEFKSINTAL-UHFFFAOYSA-N 1 3 355.527 0.770 20 0 FCADHO CN1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000664815612 493684806 /nfs/dbraw/zinc/68/48/06/493684806.db2.gz QPYHYDTWQSDANM-QGZVFWFLSA-N 1 3 367.538 0.253 20 0 FCADHO CN1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1(C)C ZINC000664815612 493684807 /nfs/dbraw/zinc/68/48/07/493684807.db2.gz QPYHYDTWQSDANM-QGZVFWFLSA-N 1 3 367.538 0.253 20 0 FCADHO COCCc1ccc(OC[C@H](O)CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000665232845 493705815 /nfs/dbraw/zinc/70/58/15/493705815.db2.gz VZHQAIBCXYFTJK-SKWUIDRYSA-N 1 3 352.475 0.957 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC(C)CC1 ZINC000671872965 493709863 /nfs/dbraw/zinc/70/98/63/493709863.db2.gz NCBBEASTIKUHKG-KRWDZBQOSA-N 1 3 373.501 0.967 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304755 493752348 /nfs/dbraw/zinc/75/23/48/493752348.db2.gz JITJHQNYUDNULW-ROUUACIJSA-N 1 3 362.518 0.777 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304755 493752350 /nfs/dbraw/zinc/75/23/50/493752350.db2.gz JITJHQNYUDNULW-ROUUACIJSA-N 1 3 362.518 0.777 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672312510 493755533 /nfs/dbraw/zinc/75/55/33/493755533.db2.gz UQHJQSWWLXXAAU-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCn1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000666239012 493763753 /nfs/dbraw/zinc/76/37/53/493763753.db2.gz MUMBWALSGQFJSW-INIZCTEOSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1cc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000666239012 493763754 /nfs/dbraw/zinc/76/37/54/493763754.db2.gz MUMBWALSGQFJSW-INIZCTEOSA-N 1 3 350.467 0.508 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410429772 528147836 /nfs/dbraw/zinc/14/78/36/528147836.db2.gz DGLSLIZEYHSPJM-KRWDZBQOSA-N 1 3 368.522 0.500 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000411027618 529074842 /nfs/dbraw/zinc/07/48/42/529074842.db2.gz OVASTLAAWKZIOJ-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419688442 535071356 /nfs/dbraw/zinc/07/13/56/535071356.db2.gz AQAJMHNFOVLMLV-IXDOHACOSA-N 1 3 350.507 0.681 20 0 FCADHO CCCN(C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000419749150 535188245 /nfs/dbraw/zinc/18/82/45/535188245.db2.gz GOQITMPZGCFNRM-HNNXBMFYSA-N 1 3 368.522 0.593 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CC1 ZINC000415338699 535205462 /nfs/dbraw/zinc/20/54/62/535205462.db2.gz ZQQNRHKHAWZCMX-INIZCTEOSA-N 1 3 359.474 0.634 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000415362471 535464362 /nfs/dbraw/zinc/46/43/62/535464362.db2.gz BNGMWIAUYUKEEQ-UHFFFAOYSA-N 1 3 361.490 0.801 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423619179 535548960 /nfs/dbraw/zinc/54/89/60/535548960.db2.gz HZOKJOFNTWYXRC-CVEARBPZSA-N 1 3 354.495 0.286 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419824368 535710498 /nfs/dbraw/zinc/71/04/98/535710498.db2.gz MRAUMLQYQBEXPK-ZACQAIPSSA-N 1 3 367.538 0.010 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000419660043 535901964 /nfs/dbraw/zinc/90/19/64/535901964.db2.gz KJRKZKDSAWGSJU-MRXNPFEDSA-N 1 3 362.474 0.235 20 0 FCADHO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419664078 535902551 /nfs/dbraw/zinc/90/25/51/535902551.db2.gz QXLHGSHDTSXANY-UHFFFAOYSA-N 1 3 362.474 0.108 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424390751 536018931 /nfs/dbraw/zinc/01/89/31/536018931.db2.gz LFPDZICLCIVMLY-DLBZAZTESA-N 1 3 363.487 0.597 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000419688146 536368583 /nfs/dbraw/zinc/36/85/83/536368583.db2.gz ZQFCHEUUZSTMLA-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000419657278 536368786 /nfs/dbraw/zinc/36/87/86/536368786.db2.gz JMZOQMXBPATUMD-RYQLBKOJSA-N 1 3 358.486 0.976 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000419758123 536417171 /nfs/dbraw/zinc/41/71/71/536417171.db2.gz DMRBOVPTZUHENX-ROUUACIJSA-N 1 3 358.486 0.834 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000415313960 536417651 /nfs/dbraw/zinc/41/76/51/536417651.db2.gz FMJHTSJCIBPKSD-KRWDZBQOSA-N 1 3 373.501 0.976 20 0 FCADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423657725 536449297 /nfs/dbraw/zinc/44/92/97/536449297.db2.gz ZPBFNDCXJRDKBS-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423657725 536449299 /nfs/dbraw/zinc/44/92/99/536449299.db2.gz ZPBFNDCXJRDKBS-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419759226 536481672 /nfs/dbraw/zinc/48/16/72/536481672.db2.gz GMZPRVKRQOLUPG-OTWHNJEPSA-N 1 3 370.497 0.691 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419752183 536747087 /nfs/dbraw/zinc/74/70/87/536747087.db2.gz LTBMHAVUGDEXJL-HOCLYGCPSA-N 1 3 368.522 0.578 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419676334 536781199 /nfs/dbraw/zinc/78/11/99/536781199.db2.gz LOWAMKGQTDGAAC-DLBZAZTESA-N 1 3 362.474 0.024 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000419676334 536781211 /nfs/dbraw/zinc/78/12/11/536781211.db2.gz LOWAMKGQTDGAAC-DLBZAZTESA-N 1 3 362.474 0.024 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000550835718 547110041 /nfs/dbraw/zinc/11/00/41/547110041.db2.gz MCTBGMKJPCQISV-YJBOKZPZSA-N 1 3 370.563 0.777 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000550835718 547110045 /nfs/dbraw/zinc/11/00/45/547110045.db2.gz MCTBGMKJPCQISV-YJBOKZPZSA-N 1 3 370.563 0.777 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000550957730 547117333 /nfs/dbraw/zinc/11/73/33/547117333.db2.gz NJVKSNUCUUMNPC-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000550957730 547117341 /nfs/dbraw/zinc/11/73/41/547117341.db2.gz NJVKSNUCUUMNPC-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000551210836 547133908 /nfs/dbraw/zinc/13/39/08/547133908.db2.gz ABDPSOSVZBVLAH-PBHICJAKSA-N 1 3 356.536 0.340 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000551210836 547133912 /nfs/dbraw/zinc/13/39/12/547133912.db2.gz ABDPSOSVZBVLAH-PBHICJAKSA-N 1 3 356.536 0.340 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000551214905 547134056 /nfs/dbraw/zinc/13/40/56/547134056.db2.gz IPIUEMVUZSDVSS-PBHICJAKSA-N 1 3 356.536 0.531 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000552364059 547204934 /nfs/dbraw/zinc/20/49/34/547204934.db2.gz UBCNKMBHNMQVDN-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000552364059 547204939 /nfs/dbraw/zinc/20/49/39/547204939.db2.gz UBCNKMBHNMQVDN-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N(C)C1CC1 ZINC000553367729 547273394 /nfs/dbraw/zinc/27/33/94/547273394.db2.gz YQZVVPKWJPFWKI-HUUCEWRRSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N(C)C1CC1 ZINC000553367729 547273400 /nfs/dbraw/zinc/27/34/00/547273400.db2.gz YQZVVPKWJPFWKI-HUUCEWRRSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000950386323 674426558 /nfs/dbraw/zinc/42/65/58/674426558.db2.gz OKHVGUUDXHQPLU-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000950386323 674426559 /nfs/dbraw/zinc/42/65/59/674426559.db2.gz OKHVGUUDXHQPLU-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480523 606860536 /nfs/dbraw/zinc/86/05/36/606860536.db2.gz LMLSGKKUSQXCML-KDOFPFPSSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480523 606860537 /nfs/dbraw/zinc/86/05/37/606860537.db2.gz LMLSGKKUSQXCML-KDOFPFPSSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480523 606860539 /nfs/dbraw/zinc/86/05/39/606860539.db2.gz LMLSGKKUSQXCML-KDOFPFPSSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480523 606860541 /nfs/dbraw/zinc/86/05/41/606860541.db2.gz LMLSGKKUSQXCML-KDOFPFPSSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)CN1CCCC1 ZINC000989393773 665745333 /nfs/dbraw/zinc/74/53/33/665745333.db2.gz VMOXOHRCDYAJPR-YVSFHVDLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)CN1CCCC1 ZINC000989393773 665745335 /nfs/dbraw/zinc/74/53/35/665745335.db2.gz VMOXOHRCDYAJPR-YVSFHVDLSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891481791 663408912 /nfs/dbraw/zinc/40/89/12/663408912.db2.gz GYQSGSJNHKENQE-BZUAXINKSA-N 1 3 353.511 0.746 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847038 663444319 /nfs/dbraw/zinc/44/43/19/663444319.db2.gz DKZRAYYJZKPBSD-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847038 663444321 /nfs/dbraw/zinc/44/43/21/663444321.db2.gz DKZRAYYJZKPBSD-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892090091 663475047 /nfs/dbraw/zinc/47/50/47/663475047.db2.gz CMRFLJFHRMSDJT-GJZGRUSLSA-N 1 3 351.495 0.500 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000892648553 664059038 /nfs/dbraw/zinc/05/90/38/664059038.db2.gz FGIOPKNXHMUATN-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000892648553 664059040 /nfs/dbraw/zinc/05/90/40/664059040.db2.gz FGIOPKNXHMUATN-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973332114 664099777 /nfs/dbraw/zinc/09/97/77/664099777.db2.gz HHPFZKCFXJUPGY-HHARLNAUSA-N 1 3 350.507 0.964 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973332114 664099779 /nfs/dbraw/zinc/09/97/79/664099779.db2.gz HHPFZKCFXJUPGY-HHARLNAUSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000978869505 664448475 /nfs/dbraw/zinc/44/84/75/664448475.db2.gz FUNOBQATRRXVDC-OVYGPGRDSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000978869505 664448478 /nfs/dbraw/zinc/44/84/78/664448478.db2.gz FUNOBQATRRXVDC-OVYGPGRDSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001027894777 664472794 /nfs/dbraw/zinc/47/27/94/664472794.db2.gz PZGVHWXABJUAIU-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCCN2CCCC2=O)CC[N@H+]1C ZINC001027894777 664472795 /nfs/dbraw/zinc/47/27/95/664472795.db2.gz PZGVHWXABJUAIU-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894163736 664902022 /nfs/dbraw/zinc/90/20/22/664902022.db2.gz GQGNDYMXDOYLGB-DLBZAZTESA-N 1 3 356.511 0.585 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000982897385 664933041 /nfs/dbraw/zinc/93/30/41/664933041.db2.gz LUCXTKAJXSTSGF-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000982897385 664933042 /nfs/dbraw/zinc/93/30/42/664933042.db2.gz LUCXTKAJXSTSGF-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728450796 665146544 /nfs/dbraw/zinc/14/65/44/665146544.db2.gz HSTNJOVUWVAVRD-INIZCTEOSA-N 1 3 367.563 0.585 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728450796 665146547 /nfs/dbraw/zinc/14/65/47/665146547.db2.gz HSTNJOVUWVAVRD-INIZCTEOSA-N 1 3 367.563 0.585 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CN1CC[C@H](C)C1 ZINC000988782299 665314383 /nfs/dbraw/zinc/31/43/83/665314383.db2.gz HSGKOVBPDGVOIZ-UXLLHSPISA-N 1 3 350.507 0.776 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000907041436 666088582 /nfs/dbraw/zinc/08/85/82/666088582.db2.gz AALROIVZTPKBGO-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000907041436 666088583 /nfs/dbraw/zinc/08/85/83/666088583.db2.gz AALROIVZTPKBGO-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000914155396 666709941 /nfs/dbraw/zinc/70/99/41/666709941.db2.gz ADFBXFKFZRTXGS-WMZOPIPTSA-N 1 3 373.563 0.827 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(=O)N3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827329 666891523 /nfs/dbraw/zinc/89/15/23/666891523.db2.gz UVSWALXSPYOJMG-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(=O)N3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827329 666891529 /nfs/dbraw/zinc/89/15/29/666891529.db2.gz UVSWALXSPYOJMG-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827328 666891601 /nfs/dbraw/zinc/89/16/01/666891601.db2.gz UVSWALXSPYOJMG-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)N3CCCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827328 666891604 /nfs/dbraw/zinc/89/16/04/666891604.db2.gz UVSWALXSPYOJMG-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C(=O)[C@@H]1CCN(C)C1)c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC000732911748 666909745 /nfs/dbraw/zinc/90/97/45/666909745.db2.gz GWIZWIQAXVXVAA-CHWSQXEVSA-N 1 3 365.503 0.626 20 0 FCADHO CN(C(=O)[C@@H]1CCN(C)C1)c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000732911748 666909747 /nfs/dbraw/zinc/90/97/47/666909747.db2.gz GWIZWIQAXVXVAA-CHWSQXEVSA-N 1 3 365.503 0.626 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)N(C)C ZINC000994336960 667021072 /nfs/dbraw/zinc/02/10/72/667021072.db2.gz ZUDXJLZCDCNQFD-OAGGEKHMSA-N 1 3 350.507 0.633 20 0 FCADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679109 667260004 /nfs/dbraw/zinc/26/00/04/667260004.db2.gz INFIGGFLDCNMQG-OLMNPRSZSA-N 1 3 353.507 0.816 20 0 FCADHO COC[C@H](C)N1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679110 667260018 /nfs/dbraw/zinc/26/00/18/667260018.db2.gz INFIGGFLDCNMQG-QGTPRVQTSA-N 1 3 353.507 0.816 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC[N@@H+]1C ZINC001002258909 667528377 /nfs/dbraw/zinc/52/83/77/667528377.db2.gz VKMGRKBBRRZSRS-GVDBMIGSSA-N 1 3 352.523 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC[N@H+]1C ZINC001002258909 667528379 /nfs/dbraw/zinc/52/83/79/667528379.db2.gz VKMGRKBBRRZSRS-GVDBMIGSSA-N 1 3 352.523 0.878 20 0 FCADHO NCC(C[NH3+])NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000923358725 667827100 /nfs/dbraw/zinc/82/71/00/667827100.db2.gz GCVLHKBHNPLMBC-INIZCTEOSA-N 1 3 353.898 0.469 20 0 FCADHO COc1cc(CNC(=O)CN2CC[C@@H](CC[NH3+])C2)cc(OC)c1OC ZINC000923486005 667840534 /nfs/dbraw/zinc/84/05/34/667840534.db2.gz AWJLWODCKDDJDE-CYBMUJFWSA-N 1 3 351.447 0.999 20 0 FCADHO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)C2CNC2)cc1OC ZINC000923592198 667854041 /nfs/dbraw/zinc/85/40/41/667854041.db2.gz QXVORDQVYIMKNO-UHFFFAOYSA-N 1 3 371.503 0.807 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001006183438 667856449 /nfs/dbraw/zinc/85/64/49/667856449.db2.gz KNRJVYPUJMZVTF-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001006183438 667856450 /nfs/dbraw/zinc/85/64/50/667856450.db2.gz KNRJVYPUJMZVTF-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524800 668005272 /nfs/dbraw/zinc/00/52/72/668005272.db2.gz KVXXQEVTXJGNGB-LBPRGKRZSA-N 1 3 354.480 0.351 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524800 668005273 /nfs/dbraw/zinc/00/52/73/668005273.db2.gz KVXXQEVTXJGNGB-LBPRGKRZSA-N 1 3 354.480 0.351 20 0 FCADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)[C@H]1CCC(=O)NC1=O ZINC000799125479 669282614 /nfs/dbraw/zinc/28/26/14/669282614.db2.gz FZCOIZIGTNOBIH-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804048875 669353515 /nfs/dbraw/zinc/35/35/15/669353515.db2.gz ABZLISOHJSJUEA-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1=O ZINC000834792246 669975355 /nfs/dbraw/zinc/97/53/55/669975355.db2.gz HRUTZJPWEOMCPO-MDCZIUGASA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000817287131 670006411 /nfs/dbraw/zinc/00/64/11/670006411.db2.gz KLWPIEUREKOELL-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO CCN1CCC([N@H+]2CCCN(CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000817287131 670006412 /nfs/dbraw/zinc/00/64/12/670006412.db2.gz KLWPIEUREKOELL-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO CN(C)[C@H]1CCCN(CCS(=O)(=O)CCN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000109805534 671431951 /nfs/dbraw/zinc/43/19/51/671431951.db2.gz WMHJFVUCIWPMHB-ROUUACIJSA-N 1 3 374.595 0.453 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852063883 671484646 /nfs/dbraw/zinc/48/46/46/671484646.db2.gz SZBWARRHIFKCGG-BRWVUGGUSA-N 1 3 352.479 0.402 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1 ZINC000863764572 672151491 /nfs/dbraw/zinc/15/14/91/672151491.db2.gz DTHSAEZBPHBUHH-CQSZACIVSA-N 1 3 350.463 0.391 20 0 FCADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877015927 672993665 /nfs/dbraw/zinc/99/36/65/672993665.db2.gz GCLIJLIJWFOOGG-HNNXBMFYSA-N 1 3 354.520 0.697 20 0 FCADHO N[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413253 673452169 /nfs/dbraw/zinc/45/21/69/673452169.db2.gz NPHHVVWIRZLMSU-CABCVRRESA-N 1 3 367.291 0.955 20 0 FCADHO N[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413253 673452171 /nfs/dbraw/zinc/45/21/71/673452171.db2.gz NPHHVVWIRZLMSU-CABCVRRESA-N 1 3 367.291 0.955 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884577693 673463536 /nfs/dbraw/zinc/46/35/36/673463536.db2.gz KQVDHOJYVJQMGY-UPJWGTAASA-N 1 3 364.412 0.573 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](C)C1 ZINC000885015202 673498538 /nfs/dbraw/zinc/49/85/38/673498538.db2.gz VTFRLQBDAKGRGI-BPKGMFCQSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001017487436 675411839 /nfs/dbraw/zinc/41/18/39/675411839.db2.gz OQLWJFLZPBKKOH-OIISXLGYSA-N 1 3 350.507 0.942 20 0 FCADHO CC[C@@H](C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001017487436 675411844 /nfs/dbraw/zinc/41/18/44/675411844.db2.gz OQLWJFLZPBKKOH-OIISXLGYSA-N 1 3 350.507 0.942 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001018870199 675417893 /nfs/dbraw/zinc/41/78/93/675417893.db2.gz HWORQMWJQRVELW-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001018870199 675417895 /nfs/dbraw/zinc/41/78/95/675417895.db2.gz HWORQMWJQRVELW-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481981 1168559442 /nfs/dbraw/zinc/55/94/42/1168559442.db2.gz ZSLUUKRCYJSSRK-JOQVEUFWSA-N 1 3 363.502 0.714 20 0 FCADHO Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001482769283 1192381601 /nfs/dbraw/zinc/38/16/01/1192381601.db2.gz DBNZTNANEOJWLB-QRVBRYPASA-N 1 3 371.485 0.332 20 0 FCADHO Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482769283 1192381607 /nfs/dbraw/zinc/38/16/07/1192381607.db2.gz DBNZTNANEOJWLB-QRVBRYPASA-N 1 3 371.485 0.332 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704401 1169899586 /nfs/dbraw/zinc/89/95/86/1169899586.db2.gz QKAVBHDBWVGGGE-YESZJQIVSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021704401 1169899588 /nfs/dbraw/zinc/89/95/88/1169899588.db2.gz QKAVBHDBWVGGGE-YESZJQIVSA-N 1 3 362.518 0.729 20 0 FCADHO O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394499 1170069545 /nfs/dbraw/zinc/06/95/45/1170069545.db2.gz YNKMBIDRVSLRSA-WNRNVDISSA-N 1 3 357.414 0.872 20 0 FCADHO O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394499 1170069552 /nfs/dbraw/zinc/06/95/52/1170069552.db2.gz YNKMBIDRVSLRSA-WNRNVDISSA-N 1 3 357.414 0.872 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673266 1170804144 /nfs/dbraw/zinc/80/41/44/1170804144.db2.gz JATOWBCBKSYGAE-CHUNWDLHSA-N 1 3 363.462 0.046 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000892274486 1171951212 /nfs/dbraw/zinc/95/12/12/1171951212.db2.gz NQSLFVWOTUBOEC-HNNXBMFYSA-N 1 3 363.506 0.786 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972314759 1171957711 /nfs/dbraw/zinc/95/77/11/1171957711.db2.gz OTCVXDDWYURKHJ-DJIMGWMZSA-N 1 3 357.458 0.353 20 0 FCADHO COc1cnccc1N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000897630001 1192837861 /nfs/dbraw/zinc/83/78/61/1192837861.db2.gz UNSSIGSWIJMTDB-UHFFFAOYSA-N 1 3 360.458 0.850 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000898129012 1192859092 /nfs/dbraw/zinc/85/90/92/1192859092.db2.gz XLDKRAMZYLXTQH-JKSUJKDBSA-N 1 3 359.474 0.719 20 0 FCADHO CCCC[C@@H](C(N)=O)N1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939782 1181545268 /nfs/dbraw/zinc/54/52/68/1181545268.db2.gz SCADWLHMMNRDMA-BXWFABGCSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892517621 1181697911 /nfs/dbraw/zinc/69/79/11/1181697911.db2.gz ADZLTFPZBOGPNU-KRWDZBQOSA-N 1 3 357.462 0.962 20 0 FCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892517621 1181697913 /nfs/dbraw/zinc/69/79/13/1181697913.db2.gz ADZLTFPZBOGPNU-KRWDZBQOSA-N 1 3 357.462 0.962 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC001025435192 1182376894 /nfs/dbraw/zinc/37/68/94/1182376894.db2.gz REODCPZWIVGYCX-BRWVUGGUSA-N 1 3 368.522 0.135 20 0 FCADHO CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809529 1182928888 /nfs/dbraw/zinc/92/88/88/1182928888.db2.gz KACSRZPMBYKESC-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+]1CCCCC1 ZINC000728747360 1182961688 /nfs/dbraw/zinc/96/16/88/1182961688.db2.gz MKYYETLVORRAJZ-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001104939566 1183012496 /nfs/dbraw/zinc/01/24/96/1183012496.db2.gz XASPFHUBGKHIFP-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064570 1183097940 /nfs/dbraw/zinc/09/79/40/1183097940.db2.gz XHKYPSRUJATCKO-HUUCEWRRSA-N 1 3 369.510 0.247 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CCCO)CC2(C)C)CC1 ZINC000974596112 1183374396 /nfs/dbraw/zinc/37/43/96/1183374396.db2.gz ODRFVHPYLKOEBC-KURKYZTESA-N 1 3 367.534 0.942 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975822921 1185819589 /nfs/dbraw/zinc/81/95/89/1185819589.db2.gz YLEFUZAKEKYNOX-HOCLYGCPSA-N 1 3 357.458 0.497 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112530199 1186127365 /nfs/dbraw/zinc/12/73/65/1186127365.db2.gz ILZMYHZSJSGUHX-PXNSSMCTSA-N 1 3 367.534 0.946 20 0 FCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000981784919 1186520724 /nfs/dbraw/zinc/52/07/24/1186520724.db2.gz WLFJTHUUXKZAHH-YESZJQIVSA-N 1 3 362.518 0.825 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)CC[N@@H+]1C ZINC000981779176 1186522485 /nfs/dbraw/zinc/52/24/85/1186522485.db2.gz WGESMRPTEDCUIC-DLBZAZTESA-N 1 3 360.506 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CCn2cncn2)C3)CC[N@H+]1C ZINC000981779176 1186522488 /nfs/dbraw/zinc/52/24/88/1186522488.db2.gz WGESMRPTEDCUIC-DLBZAZTESA-N 1 3 360.506 0.933 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)CC1 ZINC001270454115 1188153964 /nfs/dbraw/zinc/15/39/64/1188153964.db2.gz NFBRNNVLRJAJGY-UHFFFAOYSA-N 1 3 366.506 0.108 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409828 1188356731 /nfs/dbraw/zinc/35/67/31/1188356731.db2.gz BNVXEIMUMZXYQW-RTBURBONSA-N 1 3 372.513 0.972 20 0 FCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001075798747 1188423322 /nfs/dbraw/zinc/42/33/22/1188423322.db2.gz MUVVNLFUOOKOLL-OKZBNKHCSA-N 1 3 360.502 0.483 20 0 FCADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896009039 1189913365 /nfs/dbraw/zinc/91/33/65/1189913365.db2.gz JNPXWPJJQWJGAC-KRWDZBQOSA-N 1 3 364.490 0.038 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1)[NH+](C)C ZINC000986132448 1190902979 /nfs/dbraw/zinc/90/29/79/1190902979.db2.gz YIAJVCHNLLXZKW-AOIWGVFYSA-N 1 3 364.534 0.975 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986418823 1190984107 /nfs/dbraw/zinc/98/41/07/1190984107.db2.gz PAQOKMOUSSXZIZ-OAGGEKHMSA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986418823 1190984109 /nfs/dbraw/zinc/98/41/09/1190984109.db2.gz PAQOKMOUSSXZIZ-OAGGEKHMSA-N 1 3 359.474 0.601 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653458 1193725294 /nfs/dbraw/zinc/72/52/94/1193725294.db2.gz IJEBJBJVQURMOT-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000550653458 1193725299 /nfs/dbraw/zinc/72/52/99/1193725299.db2.gz IJEBJBJVQURMOT-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105654836 1193858918 /nfs/dbraw/zinc/85/89/18/1193858918.db2.gz BUWUFVDWDLZMGD-FPAYPSAMSA-N 1 3 364.490 0.955 20 0 FCADHO CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654837 1193859159 /nfs/dbraw/zinc/85/91/59/1193859159.db2.gz BUWUFVDWDLZMGD-PSBWJHGTSA-N 1 3 364.490 0.955 20 0 FCADHO COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105655602 1193859819 /nfs/dbraw/zinc/85/98/19/1193859819.db2.gz JIEJUBDHZLFCEQ-ZAWLATJESA-N 1 3 364.490 0.955 20 0 FCADHO COc1cncc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c1C ZINC001218561371 1224174397 /nfs/dbraw/zinc/17/43/97/1224174397.db2.gz GFJMYLNQLQGNJJ-ZFWWWQNUSA-N 1 3 363.462 0.784 20 0 FCADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105668049 1193946570 /nfs/dbraw/zinc/94/65/70/1193946570.db2.gz HCJNIPAHPYKXAZ-RGCFKVTRSA-N 1 3 368.522 0.040 20 0 FCADHO CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105669267 1193967213 /nfs/dbraw/zinc/96/72/13/1193967213.db2.gz QOCKYGFJOGOBLT-OHDICMOHSA-N 1 3 368.522 0.170 20 0 FCADHO CCOC(=O)c1cnn(-c2cc(NC(=O)[C@H](N)C3CC[NH2+]CC3)ccn2)c1 ZINC001218621793 1224183367 /nfs/dbraw/zinc/18/33/67/1224183367.db2.gz MRKZPCSNGMLJCC-MRXNPFEDSA-N 1 3 372.429 0.709 20 0 FCADHO NC(=O)c1ccc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001076467053 1194500861 /nfs/dbraw/zinc/50/08/61/1194500861.db2.gz ASSYPIMXSUVHHJ-ZWKOTPCHSA-N 1 3 368.481 0.914 20 0 FCADHO Cn1nnc2cc(CN3C[C@@H]4CCN(C(=O)[C@@H]5CC[N@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569454 1194575451 /nfs/dbraw/zinc/57/54/51/1194575451.db2.gz XSSNUQOEWMFNLV-FRQCXROJSA-N 1 3 368.485 0.953 20 0 FCADHO Cn1nnc2cc(CN3C[C@@H]4CCN(C(=O)[C@@H]5CC[N@@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569454 1194575453 /nfs/dbraw/zinc/57/54/53/1194575453.db2.gz XSSNUQOEWMFNLV-FRQCXROJSA-N 1 3 368.485 0.953 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC001218811638 1224227887 /nfs/dbraw/zinc/22/78/87/1224227887.db2.gz RKBOYLARKCLDTK-HOCLYGCPSA-N 1 3 358.446 0.949 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CCC1 ZINC001083563561 1195222341 /nfs/dbraw/zinc/22/23/41/1195222341.db2.gz VQHBGJRGJRUZOQ-FGTMMUONSA-N 1 3 365.518 0.839 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219419 1195328510 /nfs/dbraw/zinc/32/85/10/1195328510.db2.gz QDDAQLXBMWSHJI-KZNAEPCWSA-N 1 3 365.518 0.983 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418743 1195517481 /nfs/dbraw/zinc/51/74/81/1195517481.db2.gz ZAOLWDYTFYAULT-MOXMWUHRSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418743 1195517484 /nfs/dbraw/zinc/51/74/84/1195517484.db2.gz ZAOLWDYTFYAULT-MOXMWUHRSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219025461 1224298732 /nfs/dbraw/zinc/29/87/32/1224298732.db2.gz KPONTGXDTJKXTL-HNNXBMFYSA-N 1 3 368.441 0.650 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219029513 1224302811 /nfs/dbraw/zinc/30/28/11/1224302811.db2.gz AVLCGHWEBBODOG-UHFFFAOYSA-N 1 3 354.414 0.621 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000911366266 1195948238 /nfs/dbraw/zinc/94/82/38/1195948238.db2.gz ZRFMAMHEVBECIN-OAHLLOKOSA-N 1 3 366.506 0.109 20 0 FCADHO COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000592487155 1196564366 /nfs/dbraw/zinc/56/43/66/1196564366.db2.gz CJVFRODSMNNCAZ-IRXDYDNUSA-N 1 3 362.474 0.242 20 0 FCADHO COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000592487154 1196564461 /nfs/dbraw/zinc/56/44/61/1196564461.db2.gz CJVFRODSMNNCAZ-IAGOWNOFSA-N 1 3 362.474 0.242 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960877 1196601737 /nfs/dbraw/zinc/60/17/37/1196601737.db2.gz FZDXVDACZGHGHO-HZPDHXFCSA-N 1 3 362.522 0.723 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001105945344 1196750508 /nfs/dbraw/zinc/75/05/08/1196750508.db2.gz UDEHWFHHAGZLNM-RBSFLKMASA-N 1 3 360.462 0.193 20 0 FCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1-n1ccnc1C(N)=[NH2+] ZINC001168409430 1196761260 /nfs/dbraw/zinc/76/12/60/1196761260.db2.gz BZPWSWAHEQBVJD-LBPRGKRZSA-N 1 3 374.445 0.657 20 0 FCADHO CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219170486 1224373038 /nfs/dbraw/zinc/37/30/38/1224373038.db2.gz SQTYNISZMGHEAI-HNNXBMFYSA-N 1 3 369.425 0.797 20 0 FCADHO O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@H]1COC2(CNC2)CN1 ZINC001219301536 1224419307 /nfs/dbraw/zinc/41/93/07/1224419307.db2.gz ZAHHYQCZABNUIT-OAHLLOKOSA-N 1 3 364.421 0.225 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1)N(C)C ZINC000993077082 1197801801 /nfs/dbraw/zinc/80/18/01/1197801801.db2.gz KAWYYSCPCDQAHX-ABSDTBQOSA-N 1 3 364.534 0.975 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106339877 1197870110 /nfs/dbraw/zinc/87/01/10/1197870110.db2.gz DAGYHUZSBIANSQ-HZPDHXFCSA-N 1 3 370.538 0.554 20 0 FCADHO CCOCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453832 1197934961 /nfs/dbraw/zinc/93/49/61/1197934961.db2.gz ZSHIGTSZIUPSRO-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C)OCC2 ZINC001169096910 1199046336 /nfs/dbraw/zinc/04/63/36/1199046336.db2.gz ZRFLDYCMQBLTLW-YVSFHVDLSA-N 1 3 361.490 0.800 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC[C@@H]2C1 ZINC001169133538 1199048037 /nfs/dbraw/zinc/04/80/37/1199048037.db2.gz HIMOXXBIVNHNHJ-UJWQCDCRSA-N 1 3 364.534 0.723 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC[C@@H]2C1 ZINC001169133538 1199048041 /nfs/dbraw/zinc/04/80/41/1199048041.db2.gz HIMOXXBIVNHNHJ-UJWQCDCRSA-N 1 3 364.534 0.723 20 0 FCADHO CC(C)CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348550 1199095605 /nfs/dbraw/zinc/09/56/05/1199095605.db2.gz SPEYIEBUYHZCBS-SJORKVTESA-N 1 3 364.494 0.386 20 0 FCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753086 1224595897 /nfs/dbraw/zinc/59/58/97/1224595897.db2.gz ALWDPTWJXCHDBS-IRXDYDNUSA-N 1 3 373.501 0.953 20 0 FCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](N)CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753087 1224596235 /nfs/dbraw/zinc/59/62/35/1224596235.db2.gz ALWDPTWJXCHDBS-SJORKVTESA-N 1 3 373.501 0.953 20 0 FCADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668901 1200457573 /nfs/dbraw/zinc/45/75/73/1200457573.db2.gz GMIIXGBASOJQBS-OWSLCNJRSA-N 1 3 369.506 0.074 20 0 FCADHO CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980137 1200663201 /nfs/dbraw/zinc/66/32/01/1200663201.db2.gz JTVGBYXMHVMEIM-BDXSIMOUSA-N 1 3 371.522 0.320 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112548602 1200773687 /nfs/dbraw/zinc/77/36/87/1200773687.db2.gz HUUQNFHJXYXNIO-LPHOPBHVSA-N 1 3 365.522 0.572 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112568074 1200802003 /nfs/dbraw/zinc/80/20/03/1200802003.db2.gz WOQAHHSSOIJZPD-LPHOPBHVSA-N 1 3 365.522 0.572 20 0 FCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837945 1224647087 /nfs/dbraw/zinc/64/70/87/1224647087.db2.gz NACFVPFULFDUSM-ZAAXVRCTSA-N 1 3 359.470 0.602 20 0 FCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837942 1224647346 /nfs/dbraw/zinc/64/73/46/1224647346.db2.gz NACFVPFULFDUSM-BPAFIMBUSA-N 1 3 359.470 0.602 20 0 FCADHO C[C@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000793628560 1201249052 /nfs/dbraw/zinc/24/90/52/1201249052.db2.gz FTQCKGSTYPMDNT-HNNXBMFYSA-N 1 3 364.490 0.308 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793703920 1201259636 /nfs/dbraw/zinc/25/96/36/1201259636.db2.gz ZVQUEWKABPFMMZ-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980428 1201460933 /nfs/dbraw/zinc/46/09/33/1201460933.db2.gz KOSUBPUCASTMGE-NXOAAHMSSA-N 1 3 364.494 0.386 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980428 1201460937 /nfs/dbraw/zinc/46/09/37/1201460937.db2.gz KOSUBPUCASTMGE-NXOAAHMSSA-N 1 3 364.494 0.386 20 0 FCADHO O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219901523 1224674942 /nfs/dbraw/zinc/67/49/42/1224674942.db2.gz LEKHQCKISARLTC-KSMMKXTCSA-N 1 3 358.442 0.485 20 0 FCADHO O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219901523 1224674944 /nfs/dbraw/zinc/67/49/44/1224674944.db2.gz LEKHQCKISARLTC-KSMMKXTCSA-N 1 3 358.442 0.485 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012139 1201471198 /nfs/dbraw/zinc/47/11/98/1201471198.db2.gz QVCKVRIZIZEYMC-BBWFWOEESA-N 1 3 364.494 0.529 20 0 FCADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1)C(C)C ZINC001130045814 1201485662 /nfs/dbraw/zinc/48/56/62/1201485662.db2.gz BPXOANAPZRHZEV-IKGGRYGDSA-N 1 3 366.510 0.632 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130107554 1201503201 /nfs/dbraw/zinc/50/32/01/1201503201.db2.gz QXHMNAODCKOKFT-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130137330 1201515490 /nfs/dbraw/zinc/51/54/90/1201515490.db2.gz UFWHELZEUUCPKM-SJORKVTESA-N 1 3 364.494 0.529 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCCN2C)n1 ZINC001130223412 1201552201 /nfs/dbraw/zinc/55/22/01/1201552201.db2.gz SBFLMBDDPHROOS-ZNMIVQPWSA-N 1 3 364.494 0.777 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[n-]1 ZINC001130238039 1201560258 /nfs/dbraw/zinc/56/02/58/1201560258.db2.gz QAQIGNDWXARQJN-KKUMJFAQSA-N 1 3 364.494 0.777 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[n-]1 ZINC001130238039 1201560260 /nfs/dbraw/zinc/56/02/60/1201560260.db2.gz QAQIGNDWXARQJN-KKUMJFAQSA-N 1 3 364.494 0.777 20 0 FCADHO CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[n-]1 ZINC001130248959 1201568535 /nfs/dbraw/zinc/56/85/35/1201568535.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 1 3 366.510 0.881 20 0 FCADHO CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[n-]1 ZINC001130248959 1201568540 /nfs/dbraw/zinc/56/85/40/1201568540.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 1 3 366.510 0.881 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130293043 1201578743 /nfs/dbraw/zinc/57/87/43/1201578743.db2.gz JYTWRAUPKCUMDB-WBVHZDCISA-N 1 3 368.522 0.184 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1 ZINC001130307077 1201581791 /nfs/dbraw/zinc/58/17/91/1201581791.db2.gz HYZIYHPEAZXPEK-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130612244 1202730678 /nfs/dbraw/zinc/73/06/78/1202730678.db2.gz TULVSQZSQWDUKC-JQHSSLGASA-N 1 3 365.522 0.927 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607981 1202734233 /nfs/dbraw/zinc/73/42/33/1202734233.db2.gz VFBIAFHDOSOIOC-DOTOQJQBSA-N 1 3 363.506 0.825 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCc2cnn(C)c2)c1 ZINC001130670056 1202751629 /nfs/dbraw/zinc/75/16/29/1202751629.db2.gz PBFDBEALPOHSHR-DOTOQJQBSA-N 1 3 359.478 0.190 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008167 1202842012 /nfs/dbraw/zinc/84/20/12/1202842012.db2.gz UYILAACSOOBTMP-DJIMGWMZSA-N 1 3 363.506 0.823 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131008256 1202842487 /nfs/dbraw/zinc/84/24/87/1202842487.db2.gz ZATACENXJHJCOL-NUJGCVRESA-N 1 3 363.506 0.681 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001131561965 1202914550 /nfs/dbraw/zinc/91/45/50/1202914550.db2.gz HSJSYEXGVLYYMC-GMBSWORKSA-N 1 3 366.506 0.202 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817926911 1203124611 /nfs/dbraw/zinc/12/46/11/1203124611.db2.gz WJHFLEIDRDTXBU-SFHVURJKSA-N 1 3 360.502 0.687 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000817926528 1203126746 /nfs/dbraw/zinc/12/67/46/1203126746.db2.gz MGUZMRUSLPURDH-MOPGFXCFSA-N 1 3 372.513 0.830 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844190903 1203338500 /nfs/dbraw/zinc/33/85/00/1203338500.db2.gz FJJSZXQJSNZVKZ-LJQANCHMSA-N 1 3 360.502 0.819 20 0 FCADHO CCOC(=O)CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)OCC ZINC001220230151 1224810936 /nfs/dbraw/zinc/81/09/36/1224810936.db2.gz AWJCLYHUXJIOPV-GJZGRUSLSA-N 1 3 373.494 0.873 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220281827 1224820041 /nfs/dbraw/zinc/82/00/41/1224820041.db2.gz AIXSVDJNEZVZOI-XIRDDKMYSA-N 1 3 362.474 0.271 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)N1CCCCC1 ZINC001091673114 1204818918 /nfs/dbraw/zinc/81/89/18/1204818918.db2.gz ZMECAVJAFDFNSW-QINHECLXSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)N1CCCCC1 ZINC001091673114 1204818919 /nfs/dbraw/zinc/81/89/19/1204818919.db2.gz ZMECAVJAFDFNSW-QINHECLXSA-N 1 3 362.518 0.920 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083640 1204970305 /nfs/dbraw/zinc/97/03/05/1204970305.db2.gz NQEGGIZXAIWVCO-LZLYRXPVSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083906 1204973021 /nfs/dbraw/zinc/97/30/21/1204973021.db2.gz XJYLGVGNPYVGET-JFIYKMOQSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1nccn1C ZINC001087096922 1205004231 /nfs/dbraw/zinc/00/42/31/1205004231.db2.gz LCMPOGCRDUDCEW-HZPDHXFCSA-N 1 3 361.490 0.469 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092049374 1205140012 /nfs/dbraw/zinc/14/00/12/1205140012.db2.gz BJNUDNDWJBWTBL-CLCXKQKWSA-N 1 3 359.474 0.649 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092049374 1205140014 /nfs/dbraw/zinc/14/00/14/1205140014.db2.gz BJNUDNDWJBWTBL-CLCXKQKWSA-N 1 3 359.474 0.649 20 0 FCADHO [NH3+]C[C@H](O)CC(=O)NC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220533969 1224911236 /nfs/dbraw/zinc/91/12/36/1224911236.db2.gz VCZVSMAJUSJTOL-UXHICEINSA-N 1 3 371.481 0.876 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093822434 1206124384 /nfs/dbraw/zinc/12/43/84/1206124384.db2.gz QQHUAVNGWCNPHD-LSBZLQRGSA-N 1 3 360.502 0.910 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)C1 ZINC001094041784 1206174345 /nfs/dbraw/zinc/17/43/45/1206174345.db2.gz FGZJNXGRPOIQQH-LZLYRXPVSA-N 1 3 360.502 0.911 20 0 FCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001094137730 1206191190 /nfs/dbraw/zinc/19/11/90/1206191190.db2.gz WEQWSOIJFMQDSI-UKRRQHHQSA-N 1 3 364.494 0.408 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cn(CC2CC2)nn1 ZINC001094219152 1206202603 /nfs/dbraw/zinc/20/26/03/1206202603.db2.gz FQNKFNYQTSFQEQ-HYVNUMGLSA-N 1 3 360.506 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cn(CC2CC2)nn1 ZINC001094219152 1206202607 /nfs/dbraw/zinc/20/26/07/1206202607.db2.gz FQNKFNYQTSFQEQ-HYVNUMGLSA-N 1 3 360.506 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nnc2n1CCCC2 ZINC001094219404 1206203282 /nfs/dbraw/zinc/20/32/82/1206203282.db2.gz JUILBQDULWWRGW-BZUAXINKSA-N 1 3 360.506 0.750 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nnc2n1CCCC2 ZINC001094219404 1206203285 /nfs/dbraw/zinc/20/32/85/1206203285.db2.gz JUILBQDULWWRGW-BZUAXINKSA-N 1 3 360.506 0.750 20 0 FCADHO [NH3+]CCN1CCN(C2CCN(CC(=O)OCc3ccccc3)CC2)CC1 ZINC001173462768 1206274843 /nfs/dbraw/zinc/27/48/43/1206274843.db2.gz TXWDBHIPIGZXDU-UHFFFAOYSA-N 1 3 360.502 0.771 20 0 FCADHO O=C(CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCN(C2CCCCC2)CC1 ZINC001182017909 1206419855 /nfs/dbraw/zinc/41/98/55/1206419855.db2.gz UTZFBHZWGYHNMO-SFHVURJKSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220642460 1224981265 /nfs/dbraw/zinc/98/12/65/1224981265.db2.gz BVNWRUBBRZWCOF-NXHRZFHOSA-N 1 3 369.506 0.218 20 0 FCADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)cc1 ZINC001189424878 1207547428 /nfs/dbraw/zinc/54/74/28/1207547428.db2.gz GCXMBIBQDGSZHR-RBUKOAKNSA-N 1 3 361.486 0.903 20 0 FCADHO CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802082 1207610040 /nfs/dbraw/zinc/61/00/40/1207610040.db2.gz RCMJFSVHFNAVFO-RCCFBDPRSA-N 1 3 365.518 0.648 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001190238766 1207666760 /nfs/dbraw/zinc/66/67/60/1207666760.db2.gz PSHROFZVDHJRLN-OWCLPIDISA-N 1 3 367.538 0.957 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001190238766 1207666762 /nfs/dbraw/zinc/66/67/62/1207666762.db2.gz PSHROFZVDHJRLN-OWCLPIDISA-N 1 3 367.538 0.957 20 0 FCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831915 1207978019 /nfs/dbraw/zinc/97/80/19/1207978019.db2.gz IVWKFBGNOAHGDT-NWNORPDESA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831915 1207978022 /nfs/dbraw/zinc/97/80/22/1207978022.db2.gz IVWKFBGNOAHGDT-NWNORPDESA-N 1 3 363.502 0.757 20 0 FCADHO Cc1cc(C)c(CN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(C)c1 ZINC001197783873 1208196744 /nfs/dbraw/zinc/19/67/44/1208196744.db2.gz QYPMJUOLVPNLTO-RTBURBONSA-N 1 3 363.502 0.851 20 0 FCADHO Cc1ccc(CCCN2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1 ZINC001197826253 1208201863 /nfs/dbraw/zinc/20/18/63/1208201863.db2.gz SKEOXWALKBEFKT-RTBURBONSA-N 1 3 363.502 0.667 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001489056294 1208616186 /nfs/dbraw/zinc/61/61/86/1208616186.db2.gz RIMLELFNZRFEKT-MCIONIFRSA-N 1 3 355.483 0.128 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1O ZINC001489381264 1208803160 /nfs/dbraw/zinc/80/31/60/1208803160.db2.gz AAUVWMAELBCZDO-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1O ZINC001489381264 1208803162 /nfs/dbraw/zinc/80/31/62/1208803162.db2.gz AAUVWMAELBCZDO-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1O ZINC001489399595 1208832133 /nfs/dbraw/zinc/83/21/33/1208832133.db2.gz VNJWLGUXPRVLPU-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1O ZINC001489399595 1208832135 /nfs/dbraw/zinc/83/21/35/1208832135.db2.gz VNJWLGUXPRVLPU-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1OC ZINC001489534772 1208896163 /nfs/dbraw/zinc/89/61/63/1208896163.db2.gz GWYOVQLWLQUTHX-GVDBMIGSSA-N 1 3 368.522 0.402 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1OC ZINC001489534772 1208896164 /nfs/dbraw/zinc/89/61/64/1208896164.db2.gz GWYOVQLWLQUTHX-GVDBMIGSSA-N 1 3 368.522 0.402 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1ccccc1C[NH3+] ZINC001220853368 1225109517 /nfs/dbraw/zinc/10/95/17/1225109517.db2.gz XYKNJEQCFYFQTO-HNNXBMFYSA-N 1 3 356.430 0.089 20 0 FCADHO CC(C)N1CCN(C2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851879591 1209522914 /nfs/dbraw/zinc/52/29/14/1209522914.db2.gz LELGGVLINMYTFF-NRFANRHFSA-N 1 3 374.529 0.850 20 0 FCADHO O=C(NCc1cccc(N2CCOCC2=O)c1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220990200 1225177048 /nfs/dbraw/zinc/17/70/48/1225177048.db2.gz CHTZELYMGKOUIR-KRWDZBQOSA-N 1 3 372.469 0.540 20 0 FCADHO O=C(NCc1cccc(N2CCOCC2=O)c1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220990200 1225177049 /nfs/dbraw/zinc/17/70/49/1225177049.db2.gz CHTZELYMGKOUIR-KRWDZBQOSA-N 1 3 372.469 0.540 20 0 FCADHO COc1ccnc(C2(CNC(=O)[C@@H](N)C3CC[NH2+]CC3)CCOCC2)c1 ZINC001220990720 1225177598 /nfs/dbraw/zinc/17/75/98/1225177598.db2.gz WLKVWDHSXYBXBD-KRWDZBQOSA-N 1 3 362.474 0.582 20 0 FCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)c1 ZINC000868309150 1210051252 /nfs/dbraw/zinc/05/12/52/1210051252.db2.gz FJPMDOLUXRQNRK-UHFFFAOYSA-N 1 3 373.501 0.583 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2ncccc12 ZINC000872856013 1210213280 /nfs/dbraw/zinc/21/32/80/1210213280.db2.gz SFCPTNZLVMLXSF-UHFFFAOYSA-N 1 3 371.485 0.803 20 0 FCADHO COc1cccc(C2(NC(=O)[C@@H](N)CCCNC(N)=O)CC[NH2+]CC2)c1 ZINC001221094318 1225220112 /nfs/dbraw/zinc/22/01/12/1225220112.db2.gz PGCBCUMTLNSSQT-HNNXBMFYSA-N 1 3 363.462 0.166 20 0 FCADHO CC[NH+]1CCC(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 ZINC000883065384 1210651282 /nfs/dbraw/zinc/65/12/82/1210651282.db2.gz JWIOETIRJOLGHA-UHFFFAOYSA-N 1 3 365.522 0.986 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC000883385773 1210664978 /nfs/dbraw/zinc/66/49/78/1210664978.db2.gz SEQFQLUAOYKTPV-QGZVFWFLSA-N 1 3 369.554 0.765 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC000883385773 1210664979 /nfs/dbraw/zinc/66/49/79/1210664979.db2.gz SEQFQLUAOYKTPV-QGZVFWFLSA-N 1 3 369.554 0.765 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](CCC3CCOCC3)CC2)C1=O ZINC001202637500 1210713462 /nfs/dbraw/zinc/71/34/62/1210713462.db2.gz LKKOTGWMLCBYSD-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000884559684 1210750812 /nfs/dbraw/zinc/75/08/12/1210750812.db2.gz BJFDCLFJLZSKSN-KZNAEPCWSA-N 1 3 374.485 0.042 20 0 FCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884577363 1210755391 /nfs/dbraw/zinc/75/53/91/1210755391.db2.gz DHKIRHMFCVZPMB-CRAIPNDOSA-N 1 3 358.486 0.808 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884576921 1210755610 /nfs/dbraw/zinc/75/56/10/1210755610.db2.gz TUFQNBHVIRSFCP-YJBOKZPZSA-N 1 3 358.486 0.665 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000884576921 1210755612 /nfs/dbraw/zinc/75/56/12/1210755612.db2.gz TUFQNBHVIRSFCP-YJBOKZPZSA-N 1 3 358.486 0.665 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884597460 1210757906 /nfs/dbraw/zinc/75/79/06/1210757906.db2.gz BJUPWUDMGSEASD-INIZCTEOSA-N 1 3 367.538 0.025 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000884778844 1210794432 /nfs/dbraw/zinc/79/44/32/1210794432.db2.gz KHKCBHCKVFKDBP-CRAIPNDOSA-N 1 3 373.501 0.463 20 0 FCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000884787209 1210795918 /nfs/dbraw/zinc/79/59/18/1210795918.db2.gz KLMXMPHNGWJIFW-HZPDHXFCSA-N 1 3 366.506 0.250 20 0 FCADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCNCCC12CCC2 ZINC000884787308 1210796359 /nfs/dbraw/zinc/79/63/59/1210796359.db2.gz NQXLBCTZSFNQLG-INIZCTEOSA-N 1 3 364.490 0.101 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884851221 1210801384 /nfs/dbraw/zinc/80/13/84/1210801384.db2.gz HAXXKQIYTAOUOL-KRWDZBQOSA-N 1 3 358.486 0.890 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968811 1210805682 /nfs/dbraw/zinc/80/56/82/1210805682.db2.gz VODRBBPBOQECAE-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885154426 1210813593 /nfs/dbraw/zinc/81/35/93/1210813593.db2.gz WLMUQMCAPPJEQR-FHLIZLRMSA-N 1 3 358.486 0.616 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885154426 1210813595 /nfs/dbraw/zinc/81/35/95/1210813595.db2.gz WLMUQMCAPPJEQR-FHLIZLRMSA-N 1 3 358.486 0.616 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885167835 1210814407 /nfs/dbraw/zinc/81/44/07/1210814407.db2.gz PRRVOSRHVRQUMH-IPMKNSEASA-N 1 3 370.497 0.760 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885167835 1210814409 /nfs/dbraw/zinc/81/44/09/1210814409.db2.gz PRRVOSRHVRQUMH-IPMKNSEASA-N 1 3 370.497 0.760 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000885167255 1210814493 /nfs/dbraw/zinc/81/44/93/1210814493.db2.gz LFTMMTBAJSHZMB-MOPGFXCFSA-N 1 3 370.497 0.904 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000885200670 1210815463 /nfs/dbraw/zinc/81/54/63/1210815463.db2.gz IJCNNPPGVQDQET-UHFFFAOYSA-N 1 3 364.490 0.829 20 0 FCADHO CN(C)C(=O)C[NH2+][C@]12CC[C@](NC(=O)C3(O)CCN(C)CC3)(C1)CCC2 ZINC001274204928 1210910585 /nfs/dbraw/zinc/91/05/85/1210910585.db2.gz YVPJCWLIZFSRBN-MSOLQXFVSA-N 1 3 366.506 0.083 20 0 FCADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275093057 1211175282 /nfs/dbraw/zinc/17/52/82/1211175282.db2.gz IIRCAXVZFNQITK-HXUWFJFHSA-N 1 3 366.550 0.973 20 0 FCADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275093057 1211175285 /nfs/dbraw/zinc/17/52/85/1211175285.db2.gz IIRCAXVZFNQITK-HXUWFJFHSA-N 1 3 366.550 0.973 20 0 FCADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001275148803 1211180640 /nfs/dbraw/zinc/18/06/40/1211180640.db2.gz OIZTVAAOFHEVQW-FOIQADDNSA-N 1 3 356.470 0.817 20 0 FCADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001275148803 1211180642 /nfs/dbraw/zinc/18/06/42/1211180642.db2.gz OIZTVAAOFHEVQW-FOIQADDNSA-N 1 3 356.470 0.817 20 0 FCADHO CN1CCC[C@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302784 /nfs/dbraw/zinc/30/27/84/1211302784.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 1 3 361.490 0.528 20 0 FCADHO CN1CCC[C@H](C[N@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302787 /nfs/dbraw/zinc/30/27/87/1211302787.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 1 3 361.490 0.528 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302790 /nfs/dbraw/zinc/30/27/90/1211302790.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 1 3 361.490 0.528 20 0 FCADHO C[N@H+]1CCC[C@H](CN2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302792 /nfs/dbraw/zinc/30/27/92/1211302792.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 1 3 361.490 0.528 20 0 FCADHO COC(CN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881223 1211305069 /nfs/dbraw/zinc/30/50/69/1211305069.db2.gz XZUDRQXUFSCSLZ-HNAYVOBHSA-N 1 3 367.490 0.788 20 0 FCADHO COC(CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881223 1211305071 /nfs/dbraw/zinc/30/50/71/1211305071.db2.gz XZUDRQXUFSCSLZ-HNAYVOBHSA-N 1 3 367.490 0.788 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001095424591 1211334075 /nfs/dbraw/zinc/33/40/75/1211334075.db2.gz WHSIWRYDFOTKBE-YRXWBPOGSA-N 1 3 370.497 0.949 20 0 FCADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924668921 1211476883 /nfs/dbraw/zinc/47/68/83/1211476883.db2.gz SEKGOFIQASIQBD-KGLIPLIRSA-N 1 3 359.474 0.893 20 0 FCADHO C(CN1CCC[C@H](N[C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768336 1211508277 /nfs/dbraw/zinc/50/82/77/1211508277.db2.gz JOUHUBZNSWRZHB-MUGJNUQGSA-N 1 3 366.550 0.530 20 0 FCADHO COc1ccccc1[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221337325 1225299676 /nfs/dbraw/zinc/29/96/76/1225299676.db2.gz PQRHKZISQLBYDP-HOTGVXAUSA-N 1 3 359.430 0.919 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000927888914 1211590639 /nfs/dbraw/zinc/59/06/39/1211590639.db2.gz ZGTXOKMAXRXLIT-MRXNPFEDSA-N 1 3 373.501 0.964 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)NC1 ZINC001221391203 1225305427 /nfs/dbraw/zinc/30/54/27/1225305427.db2.gz CQMWHTLZILGESQ-ICSRJNTNSA-N 1 3 370.497 0.876 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2c1cccc2O ZINC001221394958 1225306681 /nfs/dbraw/zinc/30/66/81/1225306681.db2.gz KGVUTTFHHITNAX-ULQDDVLXSA-N 1 3 374.485 0.943 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cccnc1N1CC[NH2+]CC1 ZINC001221398840 1225306702 /nfs/dbraw/zinc/30/67/02/1225306702.db2.gz IIVLXHDFYAUSCR-KRWDZBQOSA-N 1 3 351.454 0.936 20 0 FCADHO CN1CCC(CO)(NC(=O)[C@H]([NH3+])CCC(=O)OCc2ccccc2)CC1 ZINC001221402950 1225306722 /nfs/dbraw/zinc/30/67/22/1225306722.db2.gz OBAVXNSMXMNZFW-MRXNPFEDSA-N 1 3 363.458 0.410 20 0 FCADHO CC(C)[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000932774472 1211821090 /nfs/dbraw/zinc/82/10/90/1211821090.db2.gz WPZMCYPQBBXTSC-MRXNPFEDSA-N 1 3 366.510 0.185 20 0 FCADHO CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771537 1225476009 /nfs/dbraw/zinc/47/60/09/1225476009.db2.gz ACRKTQSZCOWDSQ-FGTMMUONSA-N 1 3 367.534 0.894 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001221793289 1225482150 /nfs/dbraw/zinc/48/21/50/1225482150.db2.gz ZMCRNMCBZVPOFH-SOLBZPMBSA-N 1 3 365.474 0.642 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC001017492102 1214104056 /nfs/dbraw/zinc/10/40/56/1214104056.db2.gz XQJYIWQTMNGLNJ-DLBZAZTESA-N 1 3 359.474 0.957 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC001017492102 1214104062 /nfs/dbraw/zinc/10/40/62/1214104062.db2.gz XQJYIWQTMNGLNJ-DLBZAZTESA-N 1 3 359.474 0.957 20 0 FCADHO CC(C)[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825633 1225505599 /nfs/dbraw/zinc/50/55/99/1225505599.db2.gz WIXQYOUETYDHCO-QUCCMNQESA-N 1 3 366.550 0.565 20 0 FCADHO CC(C)[C@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825633 1225505601 /nfs/dbraw/zinc/50/56/01/1225505601.db2.gz WIXQYOUETYDHCO-QUCCMNQESA-N 1 3 366.550 0.565 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001039865905 1214450779 /nfs/dbraw/zinc/45/07/79/1214450779.db2.gz UVKUNOACDRKXET-FRQCXROJSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001039865905 1214450785 /nfs/dbraw/zinc/45/07/85/1214450785.db2.gz UVKUNOACDRKXET-FRQCXROJSA-N 1 3 368.522 0.137 20 0 FCADHO O=C(N1C[C@H]2CCN(CCCO[C@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949591 1225548074 /nfs/dbraw/zinc/54/80/74/1225548074.db2.gz CNRAJRAOPJOWMB-FGTMMUONSA-N 1 3 363.502 0.811 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000963149540 1214750764 /nfs/dbraw/zinc/75/07/64/1214750764.db2.gz DHGDPRZZRJUIQA-MWQQHZPXSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000963149540 1214750770 /nfs/dbraw/zinc/75/07/70/1214750770.db2.gz DHGDPRZZRJUIQA-MWQQHZPXSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)CN2CCCC2)CC3)CC[N@@H+]1C ZINC000963923425 1214875369 /nfs/dbraw/zinc/87/53/69/1214875369.db2.gz CVSJNMDDYKHXOA-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)CN2CCCC2)CC3)CC[N@H+]1C ZINC000963923425 1214875372 /nfs/dbraw/zinc/87/53/72/1214875372.db2.gz CVSJNMDDYKHXOA-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+]1CCN(Cc2ccc(C(=O)N3CC(N4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000652889450 1215263478 /nfs/dbraw/zinc/26/34/78/1215263478.db2.gz STHSKLNIBIJULR-LJQANCHMSA-N 1 3 358.486 0.325 20 0 FCADHO COC(=O)[C@@H]1CNCCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001222415246 1225624119 /nfs/dbraw/zinc/62/41/19/1225624119.db2.gz UKFXURIIVLHHCK-INIZCTEOSA-N 1 3 358.446 0.143 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055966869 1215929416 /nfs/dbraw/zinc/92/94/16/1215929416.db2.gz LBZJRFQKWTVMMC-MDZRGWNJSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055966869 1215929422 /nfs/dbraw/zinc/92/94/22/1215929422.db2.gz LBZJRFQKWTVMMC-MDZRGWNJSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050523842 1216330981 /nfs/dbraw/zinc/33/09/81/1216330981.db2.gz KDWAAFJFFPTGOL-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050523842 1216330989 /nfs/dbraw/zinc/33/09/89/1216330989.db2.gz KDWAAFJFFPTGOL-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001068401477 1216730474 /nfs/dbraw/zinc/73/04/74/1216730474.db2.gz JEERPKGOVSLKNC-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401477 1216730477 /nfs/dbraw/zinc/73/04/77/1216730477.db2.gz JEERPKGOVSLKNC-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCN(CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068400000 1216731004 /nfs/dbraw/zinc/73/10/04/1216731004.db2.gz WIMXKJDMXRXEQO-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCN(CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068400000 1216731005 /nfs/dbraw/zinc/73/10/05/1216731005.db2.gz WIMXKJDMXRXEQO-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223962008 1225749254 /nfs/dbraw/zinc/74/92/54/1225749254.db2.gz FUYHFCZZLYBTNB-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223962008 1225749258 /nfs/dbraw/zinc/74/92/58/1225749258.db2.gz FUYHFCZZLYBTNB-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H](CO)C[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276973621 1225780460 /nfs/dbraw/zinc/78/04/60/1225780460.db2.gz GMEDSNHIZLILNR-SFHVURJKSA-N 1 3 366.550 0.567 20 0 FCADHO CNC(=O)CN1CC[C@@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC001276981865 1225784794 /nfs/dbraw/zinc/78/47/94/1225784794.db2.gz IKUZEJDUKABAAW-XLIONFOSSA-N 1 3 358.486 0.612 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001096356659 1218263248 /nfs/dbraw/zinc/26/32/48/1218263248.db2.gz WJEDEGJUPRRRIK-IKGGRYGDSA-N 1 3 360.502 0.816 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3cccc4cncn43)C2)OCC1=O ZINC001277041071 1225810255 /nfs/dbraw/zinc/81/02/55/1225810255.db2.gz DGPCUWCEPJIFOQ-IBGZPJMESA-N 1 3 357.458 0.699 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C)CC1 ZINC000803541322 1218428833 /nfs/dbraw/zinc/42/88/33/1218428833.db2.gz NCJNIGWCZKTFCE-IKGGRYGDSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C)CC1 ZINC000803541322 1218428837 /nfs/dbraw/zinc/42/88/37/1218428837.db2.gz NCJNIGWCZKTFCE-IKGGRYGDSA-N 1 3 366.506 0.202 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCn1cncn1)c1ccn2c[nH+]cc2c1 ZINC001097444995 1218807272 /nfs/dbraw/zinc/80/72/72/1218807272.db2.gz RUKOUTMAMKKILS-OIISXLGYSA-N 1 3 351.414 0.961 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CCC1 ZINC001226767265 1225854145 /nfs/dbraw/zinc/85/41/45/1225854145.db2.gz UQARVDVBCRKQFT-HUUCEWRRSA-N 1 3 364.490 0.637 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001227056713 1225862384 /nfs/dbraw/zinc/86/23/84/1225862384.db2.gz JJIATGGJDKKZRE-RBSFLKMASA-N 1 3 367.494 0.332 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057412 1219111693 /nfs/dbraw/zinc/11/16/93/1219111693.db2.gz PKMXNGKIKUSYCS-GVDBMIGSSA-N 1 3 366.506 0.156 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057412 1219111701 /nfs/dbraw/zinc/11/17/01/1219111701.db2.gz PKMXNGKIKUSYCS-GVDBMIGSSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000804059897 1219113573 /nfs/dbraw/zinc/11/35/73/1219113573.db2.gz ONKOTVHTCMTIMF-QBPKDAKJSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000804059897 1219113577 /nfs/dbraw/zinc/11/35/77/1219113577.db2.gz ONKOTVHTCMTIMF-QBPKDAKJSA-N 1 3 366.506 0.202 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000804060989 1219115237 /nfs/dbraw/zinc/11/52/37/1219115237.db2.gz QWDYKISQIJEUOX-BRWVUGGUSA-N 1 3 364.490 0.053 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097211 1219168680 /nfs/dbraw/zinc/16/86/80/1219168680.db2.gz HLGHYVQYPAAXHK-OTWHNJEPSA-N 1 3 368.485 0.814 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001070097211 1219168685 /nfs/dbraw/zinc/16/86/85/1219168685.db2.gz HLGHYVQYPAAXHK-OTWHNJEPSA-N 1 3 368.485 0.814 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2ccncc2O[C@H]2CCN(CCO)C2)CC[N@@H+]1C ZINC001070386313 1219408531 /nfs/dbraw/zinc/40/85/31/1219408531.db2.gz JSDWWWJEAJLFGI-HYVNUMGLSA-N 1 3 362.474 0.483 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2ccncc2O[C@H]2CCN(CCO)C2)CC[N@H+]1C ZINC001070386313 1219408536 /nfs/dbraw/zinc/40/85/36/1219408536.db2.gz JSDWWWJEAJLFGI-HYVNUMGLSA-N 1 3 362.474 0.483 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001070629186 1219493850 /nfs/dbraw/zinc/49/38/50/1219493850.db2.gz CYZLYQOLDILQFS-BRWVUGGUSA-N 1 3 371.489 0.295 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001070694987 1219529054 /nfs/dbraw/zinc/52/90/54/1219529054.db2.gz KMMSEQDQCYVMRV-FVQBIDKESA-N 1 3 358.446 0.306 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228238963 1225903571 /nfs/dbraw/zinc/90/35/71/1225903571.db2.gz KWZNLWRZHRWOEQ-HZPDHXFCSA-N 1 3 368.522 0.498 20 0 FCADHO Cc1n[nH]c(C)c1NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354690 1225914395 /nfs/dbraw/zinc/91/43/95/1225914395.db2.gz BBGPLAPFNPUVIL-HUUCEWRRSA-N 1 3 364.494 0.934 20 0 FCADHO O=C(N[C@]12CCC[C@H]1CN(CCN1CCCC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099123199 1219921333 /nfs/dbraw/zinc/92/13/33/1219921333.db2.gz XOLIVHFQWHZXCT-JXFKEZNVSA-N 1 3 360.502 0.675 20 0 FCADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1)N1CCCC1 ZINC001099473429 1220007504 /nfs/dbraw/zinc/00/75/04/1220007504.db2.gz BLCZQAXSRMIQQT-YRNRMSPPSA-N 1 3 362.518 0.968 20 0 FCADHO CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1=O ZINC001099505243 1220017839 /nfs/dbraw/zinc/01/78/39/1220017839.db2.gz FLKOGUNQUVAGIO-QOKNQOGYSA-N 1 3 359.474 0.791 20 0 FCADHO C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267591 1220256806 /nfs/dbraw/zinc/25/68/06/1220256806.db2.gz LOXCUSZWFVFNTN-UWVAXJGDSA-N 1 3 362.518 0.633 20 0 FCADHO CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305762 1220278357 /nfs/dbraw/zinc/27/83/57/1220278357.db2.gz QUIPDXXLKXLDBL-RMQWMXHSSA-N 1 3 363.502 0.666 20 0 FCADHO CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305762 1220278359 /nfs/dbraw/zinc/27/83/59/1220278359.db2.gz QUIPDXXLKXLDBL-RMQWMXHSSA-N 1 3 363.502 0.666 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051953 1220479120 /nfs/dbraw/zinc/47/91/20/1220479120.db2.gz VJENKHRDLOEAKV-HZPDHXFCSA-N 1 3 367.538 0.862 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051953 1220479123 /nfs/dbraw/zinc/47/91/23/1220479123.db2.gz VJENKHRDLOEAKV-HZPDHXFCSA-N 1 3 367.538 0.862 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051639 1220479388 /nfs/dbraw/zinc/47/93/88/1220479388.db2.gz BUBCJNCQKOIEPK-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051639 1220479391 /nfs/dbraw/zinc/47/93/91/1220479391.db2.gz BUBCJNCQKOIEPK-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375310 1220599087 /nfs/dbraw/zinc/59/90/87/1220599087.db2.gz BURSWFITENUTDZ-KFWWJZLASA-N 1 3 366.506 0.454 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375310 1220599090 /nfs/dbraw/zinc/59/90/90/1220599090.db2.gz BURSWFITENUTDZ-KFWWJZLASA-N 1 3 366.506 0.454 20 0 FCADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103157879 1220841984 /nfs/dbraw/zinc/84/19/84/1220841984.db2.gz HDOPJGQOKAUXTM-HZPDHXFCSA-N 1 3 367.538 0.816 20 0 FCADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103157879 1220841985 /nfs/dbraw/zinc/84/19/85/1220841985.db2.gz HDOPJGQOKAUXTM-HZPDHXFCSA-N 1 3 367.538 0.816 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162757 1220842137 /nfs/dbraw/zinc/84/21/37/1220842137.db2.gz JAJYLPRYJPHMAH-HZPDHXFCSA-N 1 3 361.490 0.728 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436127 1220882864 /nfs/dbraw/zinc/88/28/64/1220882864.db2.gz LLHBAGCNDWVTGZ-BRWVUGGUSA-N 1 3 365.522 0.428 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436127 1220882868 /nfs/dbraw/zinc/88/28/68/1220882868.db2.gz LLHBAGCNDWVTGZ-BRWVUGGUSA-N 1 3 365.522 0.428 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103663599 1220933672 /nfs/dbraw/zinc/93/36/72/1220933672.db2.gz JJJKIPUDJOLAOA-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103663599 1220933677 /nfs/dbraw/zinc/93/36/77/1220933677.db2.gz JJJKIPUDJOLAOA-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103677323 1220934672 /nfs/dbraw/zinc/93/46/72/1220934672.db2.gz XARWSLCMAGCUMH-GDBMZVCRSA-N 1 3 361.490 0.957 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103677323 1220934674 /nfs/dbraw/zinc/93/46/74/1220934674.db2.gz XARWSLCMAGCUMH-GDBMZVCRSA-N 1 3 361.490 0.957 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001229523106 1226015990 /nfs/dbraw/zinc/01/59/90/1226015990.db2.gz BALQEBCCGOMCSX-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001229523106 1226015993 /nfs/dbraw/zinc/01/59/93/1226015993.db2.gz BALQEBCCGOMCSX-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779138 1221105221 /nfs/dbraw/zinc/10/52/21/1221105221.db2.gz WLULCUCJXDNPLP-OHNRDTAOSA-N 1 3 362.474 0.247 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779138 1221105224 /nfs/dbraw/zinc/10/52/24/1221105224.db2.gz WLULCUCJXDNPLP-OHNRDTAOSA-N 1 3 362.474 0.247 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001112399234 1221252761 /nfs/dbraw/zinc/25/27/61/1221252761.db2.gz IWBUKIKXSJHYMN-CVAIRZPRSA-N 1 3 362.518 0.824 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001229877388 1226037686 /nfs/dbraw/zinc/03/76/86/1226037686.db2.gz RVTDIGAHHBWTNZ-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC001117971507 1221670090 /nfs/dbraw/zinc/67/00/90/1221670090.db2.gz WHIVEMCORILYFB-MRXNPFEDSA-N 1 3 361.490 0.168 20 0 FCADHO NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230334833 1226074107 /nfs/dbraw/zinc/07/41/07/1226074107.db2.gz BCAKPDFSJLAHJD-HUUCEWRRSA-N 1 3 367.494 0.464 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118678522 1221818355 /nfs/dbraw/zinc/81/83/55/1221818355.db2.gz JLAGZENTELILEQ-QGZVFWFLSA-N 1 3 366.506 0.156 20 0 FCADHO O=C(N[C@H]1CN2CCC1CC2)[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001120774397 1222119675 /nfs/dbraw/zinc/11/96/75/1222119675.db2.gz OMPLQWNNQHZWTO-YRXWBPOGSA-N 1 3 374.529 0.824 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069785 1222238293 /nfs/dbraw/zinc/23/82/93/1222238293.db2.gz GALDXTLWWGNOPR-BRWVUGGUSA-N 1 3 363.506 0.606 20 0 FCADHO C[C@@H]1Cn2nc(C(=O)N(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147979 1222244770 /nfs/dbraw/zinc/24/47/70/1222244770.db2.gz GNNITLVCHSTFQZ-ZBFHGGJFSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@@H]1Cn2nc(C(=O)N(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147979 1222244774 /nfs/dbraw/zinc/24/47/74/1222244774.db2.gz GNNITLVCHSTFQZ-ZBFHGGJFSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@@H]1Cn2nc(C(=O)N(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2CN1 ZINC001122147979 1222244780 /nfs/dbraw/zinc/24/47/80/1222244780.db2.gz GNNITLVCHSTFQZ-ZBFHGGJFSA-N 1 3 360.506 0.615 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841230310 1222815188 /nfs/dbraw/zinc/81/51/88/1222815188.db2.gz TXGMQLHVOUOPKT-OAHLLOKOSA-N 1 3 361.490 0.881 20 0 FCADHO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842164386 1222838707 /nfs/dbraw/zinc/83/87/07/1222838707.db2.gz JMFSSCCKOVRZPX-IRXDYDNUSA-N 1 3 366.506 0.394 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCCCCCC[NH3+])Cc2ccccc2C1 ZINC000843259596 1222867382 /nfs/dbraw/zinc/86/73/82/1222867382.db2.gz OWVYLXMUZNWGKT-UHFFFAOYSA-N 1 3 360.502 0.837 20 0 FCADHO c1cc(OCC2CC[NH2+]CC2)nnc1NCc1nnn2c1CNCCC2 ZINC001155400195 1223034873 /nfs/dbraw/zinc/03/48/73/1223034873.db2.gz MOSGRBBKTIHFRO-UHFFFAOYSA-N 1 3 358.450 0.552 20 0 FCADHO CN1CCN(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CC1=O ZINC001157486164 1223077308 /nfs/dbraw/zinc/07/73/08/1223077308.db2.gz RZCBQEMVCXQPMX-WIYYLYMNSA-N 1 3 370.497 0.789 20 0 FCADHO Cc1ccc([C@@H](C(=O)N(C)C[C@H]2CNCCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720602 1223080837 /nfs/dbraw/zinc/08/08/37/1223080837.db2.gz MKGNONXEBJUMMV-MOPGFXCFSA-N 1 3 360.502 0.906 20 0 FCADHO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001157842089 1223082694 /nfs/dbraw/zinc/08/26/94/1223082694.db2.gz IYWNJXPJAXEWCS-XHSDSOJGSA-N 1 3 361.490 0.895 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167027 1223090100 /nfs/dbraw/zinc/09/01/00/1223090100.db2.gz HCXKHIYBNDFEME-LTIDMASMSA-N 1 3 368.522 0.338 20 0 FCADHO O=C([C@H]1CC[C@H](C(F)(F)F)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260832 1223092136 /nfs/dbraw/zinc/09/21/36/1223092136.db2.gz IEGNLVYBFJALCQ-NWDGAFQWSA-N 1 3 372.395 0.630 20 0 FCADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260831 1223092294 /nfs/dbraw/zinc/09/22/94/1223092294.db2.gz IEGNLVYBFJALCQ-NEPJUHHUSA-N 1 3 372.395 0.630 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158759542 1223107220 /nfs/dbraw/zinc/10/72/20/1223107220.db2.gz QBZDMNGIRDURQN-HNNXBMFYSA-N 1 3 356.474 0.247 20 0 FCADHO CN(C[C@@H](O)CO)C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001158800639 1223110052 /nfs/dbraw/zinc/11/00/52/1223110052.db2.gz XIDLZYHEQQVTRV-QWFCFKBJSA-N 1 3 361.486 0.300 20 0 FCADHO N[C@@H](C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192895 1223120257 /nfs/dbraw/zinc/12/02/57/1223120257.db2.gz YTVPLRDKUYGIKB-MAUKXSAKSA-N 1 3 361.490 0.595 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)COC1(C)C ZINC001159291630 1223123772 /nfs/dbraw/zinc/12/37/72/1223123772.db2.gz ROOBXAGKLHFINT-ZFWWWQNUSA-N 1 3 364.490 0.241 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)COC1(C)C ZINC001159291630 1223123775 /nfs/dbraw/zinc/12/37/75/1223123775.db2.gz ROOBXAGKLHFINT-ZFWWWQNUSA-N 1 3 364.490 0.241 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)CC[C@H]21 ZINC001159781000 1223136628 /nfs/dbraw/zinc/13/66/28/1223136628.db2.gz FRDZPBHOHJFJTK-BRWVUGGUSA-N 1 3 362.518 0.966 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)CC[C@H]21 ZINC001159781000 1223136630 /nfs/dbraw/zinc/13/66/30/1223136630.db2.gz FRDZPBHOHJFJTK-BRWVUGGUSA-N 1 3 362.518 0.966 20 0 FCADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H](N)CCC[NH3+])C[C@H]12 ZINC001159993750 1223142523 /nfs/dbraw/zinc/14/25/23/1223142523.db2.gz QNINRAXRHOKILK-HBFSDRIKSA-N 1 3 358.486 0.844 20 0 FCADHO N[C@H](C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1)C1CC[NH2+]CC1 ZINC001160415366 1223158584 /nfs/dbraw/zinc/15/85/84/1223158584.db2.gz SGQRAVBHLMPBQB-QFBILLFUSA-N 1 3 372.473 0.149 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(CCc2ccncc2)CC1 ZINC001160490633 1223162696 /nfs/dbraw/zinc/16/26/96/1223162696.db2.gz VLSIRVSRNJSHRY-GOSISDBHSA-N 1 3 357.502 0.643 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(CCc2ccncc2)CC1 ZINC001160490633 1223162699 /nfs/dbraw/zinc/16/26/99/1223162699.db2.gz VLSIRVSRNJSHRY-GOSISDBHSA-N 1 3 357.502 0.643 20 0 FCADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001160694390 1223168619 /nfs/dbraw/zinc/16/86/19/1223168619.db2.gz AVKMHSWDPXYGOH-HOTGVXAUSA-N 1 3 361.490 0.767 20 0 FCADHO N[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)C1CC[NH2+]CC1 ZINC001160842352 1223176773 /nfs/dbraw/zinc/17/67/73/1223176773.db2.gz DQQKNXXBTUSFPB-ZDUSSCGKSA-N 1 3 372.395 0.471 20 0 FCADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C[C@@H]1c1ccc(F)cc1 ZINC001161085489 1223184788 /nfs/dbraw/zinc/18/47/88/1223184788.db2.gz ZFTZGNRUTTYYIA-IKGGRYGDSA-N 1 3 363.433 0.868 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412200 1223198318 /nfs/dbraw/zinc/19/83/18/1223198318.db2.gz HIPAAXSQRSSQGR-JONQDZQNSA-N 1 3 359.474 0.505 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412201 1223198527 /nfs/dbraw/zinc/19/85/27/1223198527.db2.gz HIPAAXSQRSSQGR-QXSJWSMHSA-N 1 3 359.474 0.505 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)CC2 ZINC001161480608 1223200647 /nfs/dbraw/zinc/20/06/47/1223200647.db2.gz PMBKVPWDXJFPFH-VBHSOAQHSA-N 1 3 369.462 0.189 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](CC3(C)CCOCC3)CC2)C1=O ZINC001207968214 1223501351 /nfs/dbraw/zinc/50/13/51/1223501351.db2.gz QDLMETFBUYJUKE-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208036535 1223507700 /nfs/dbraw/zinc/50/77/00/1223507700.db2.gz ORXZBIBWJAMFHA-MJQPBPLVSA-N 1 3 365.518 0.959 20 0 FCADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001208036535 1223507702 /nfs/dbraw/zinc/50/77/02/1223507702.db2.gz ORXZBIBWJAMFHA-MJQPBPLVSA-N 1 3 365.518 0.959 20 0 FCADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001208092138 1223515866 /nfs/dbraw/zinc/51/58/66/1223515866.db2.gz JSVSVCGLNCMREV-VQIMIIECSA-N 1 3 363.502 0.850 20 0 FCADHO COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001208281295 1223529594 /nfs/dbraw/zinc/52/95/94/1223529594.db2.gz BEFNOXKZYSCIRA-BRWVUGGUSA-N 1 3 371.522 0.321 20 0 FCADHO COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001208281295 1223529598 /nfs/dbraw/zinc/52/95/98/1223529598.db2.gz BEFNOXKZYSCIRA-BRWVUGGUSA-N 1 3 371.522 0.321 20 0 FCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612182 1223563542 /nfs/dbraw/zinc/56/35/42/1223563542.db2.gz GJHHAKTZHWLIOK-MOPGFXCFSA-N 1 3 360.550 0.904 20 0 FCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612182 1223563544 /nfs/dbraw/zinc/56/35/44/1223563544.db2.gz GJHHAKTZHWLIOK-MOPGFXCFSA-N 1 3 360.550 0.904 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCCN3CCC[NH+](C)C)C2=O)CC1 ZINC001276609911 1223594336 /nfs/dbraw/zinc/59/43/36/1223594336.db2.gz MMTQRNNJSLLTJQ-HXUWFJFHSA-N 1 3 365.566 0.643 20 0 FCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327831 1223611083 /nfs/dbraw/zinc/61/10/83/1223611083.db2.gz QXNJKULAXJAPIO-NVXWUHKLSA-N 1 3 367.494 0.158 20 0 FCADHO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315661 1223682433 /nfs/dbraw/zinc/68/24/33/1223682433.db2.gz UZXLERRFGGRXDL-RHSMWYFYSA-N 1 3 362.474 0.300 20 0 FCADHO CO[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730043 1223840095 /nfs/dbraw/zinc/84/00/95/1223840095.db2.gz BWRZLEXDDOKAKV-KZNAEPCWSA-N 1 3 371.522 0.321 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001214336247 1223902190 /nfs/dbraw/zinc/90/21/90/1223902190.db2.gz ZMMKXOCRTQRPIQ-DJIMGWMZSA-N 1 3 362.474 0.769 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856004 1223948373 /nfs/dbraw/zinc/94/83/73/1223948373.db2.gz UHVFOIFXDXZWHN-RBSFLKMASA-N 1 3 367.494 0.141 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214856004 1223948376 /nfs/dbraw/zinc/94/83/76/1223948376.db2.gz UHVFOIFXDXZWHN-RBSFLKMASA-N 1 3 367.494 0.141 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298880 1223991283 /nfs/dbraw/zinc/99/12/83/1223991283.db2.gz LOWFAYRHHKEGGN-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518997 1224003921 /nfs/dbraw/zinc/00/39/21/1224003921.db2.gz UCHXAMDACILFLW-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1)N(C)C ZINC001215571911 1224007016 /nfs/dbraw/zinc/00/70/16/1224007016.db2.gz ZAZKKOHEJPAEJO-MCIONIFRSA-N 1 3 369.510 0.387 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001215989425 1224028350 /nfs/dbraw/zinc/02/83/50/1224028350.db2.gz BDCONXYYIUXUKZ-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001215989982 1224029044 /nfs/dbraw/zinc/02/90/44/1224029044.db2.gz PXRAMGAAZNSGSI-QLFBSQMISA-N 1 3 369.510 0.387 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216090694 1224033617 /nfs/dbraw/zinc/03/36/17/1224033617.db2.gz NAGMUYBVAAJMMX-RHSMWYFYSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216099582 1224034217 /nfs/dbraw/zinc/03/42/17/1224034217.db2.gz UUINKABMJOOJDH-CKEIUWERSA-N 1 3 366.506 0.201 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216213573 1224038937 /nfs/dbraw/zinc/03/89/37/1224038937.db2.gz OGWLSBZZLMBQNQ-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216213573 1224038941 /nfs/dbraw/zinc/03/89/41/1224038941.db2.gz OGWLSBZZLMBQNQ-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO COc1ncc(CN[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)c(C)n1 ZINC001216401575 1224048422 /nfs/dbraw/zinc/04/84/22/1224048422.db2.gz NBAROFAAGKZURY-CZUORRHYSA-N 1 3 365.478 0.308 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216830415 1224076259 /nfs/dbraw/zinc/07/62/59/1224076259.db2.gz PATFVUVNOPZCJA-HUUCEWRRSA-N 1 3 367.494 0.145 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838738 1224077498 /nfs/dbraw/zinc/07/74/98/1224077498.db2.gz DIEJAIYQYHLXMT-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000993492816 1249588197 /nfs/dbraw/zinc/58/81/97/1249588197.db2.gz SAEPRHPIHPESLJ-XAUMDUMWSA-N 1 3 371.485 0.601 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993500555 1249592314 /nfs/dbraw/zinc/59/23/14/1249592314.db2.gz FPBLWRYYMKHQJU-QHHYFVSCSA-N 1 3 359.474 0.599 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993500555 1249592320 /nfs/dbraw/zinc/59/23/20/1249592320.db2.gz FPBLWRYYMKHQJU-QHHYFVSCSA-N 1 3 359.474 0.599 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN4C(=O)OC[C@@H]4C3)CC2)CC1 ZINC000847584269 1245346158 /nfs/dbraw/zinc/34/61/58/1245346158.db2.gz QJVAAMFLSVLYKC-KRWDZBQOSA-N 1 3 364.490 0.846 20 0 FCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848931894 1245388311 /nfs/dbraw/zinc/38/83/11/1245388311.db2.gz IHHRIHQPPWYCAX-WCXIOVBPSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848931894 1245388319 /nfs/dbraw/zinc/38/83/19/1245388319.db2.gz IHHRIHQPPWYCAX-WCXIOVBPSA-N 1 3 364.490 0.099 20 0 FCADHO C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601466 1245456872 /nfs/dbraw/zinc/45/68/72/1245456872.db2.gz GABROYUMPHYTQA-IAGOWNOFSA-N 1 3 367.538 0.328 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892410040 1245459759 /nfs/dbraw/zinc/45/97/59/1245459759.db2.gz FNADBBLWKVKFEA-QGZVFWFLSA-N 1 3 363.506 0.608 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NC1CCN(CCO)CC1)C2 ZINC000917838632 1245562387 /nfs/dbraw/zinc/56/23/87/1245562387.db2.gz WSWJLJFYGNFOKL-VXNCWWDNSA-N 1 3 368.522 0.222 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NC1CCN(CCO)CC1)C2 ZINC000917838632 1245562394 /nfs/dbraw/zinc/56/23/94/1245562394.db2.gz WSWJLJFYGNFOKL-VXNCWWDNSA-N 1 3 368.522 0.222 20 0 FCADHO O=C1N[C@@H]2CN(C[C@@H](O)Cc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923379423 1245712810 /nfs/dbraw/zinc/71/28/10/1245712810.db2.gz JVKYNGJXUYBZGR-IPMKNSEASA-N 1 3 358.486 0.810 20 0 FCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000923485762 1245725169 /nfs/dbraw/zinc/72/51/69/1245725169.db2.gz LFZFFZQAWMCIML-QGZVFWFLSA-N 1 3 374.485 0.446 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC000972739087 1248127182 /nfs/dbraw/zinc/12/71/82/1248127182.db2.gz NWXGCFMECZHJJW-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC000972739087 1248127197 /nfs/dbraw/zinc/12/71/97/1248127197.db2.gz NWXGCFMECZHJJW-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)n1 ZINC001515185396 1265458707 /nfs/dbraw/zinc/45/87/07/1265458707.db2.gz YCHWESHNDZDCCD-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1 ZINC000994335049 1250383412 /nfs/dbraw/zinc/38/34/12/1250383412.db2.gz FPLGWPPQBFNQNJ-GVDBMIGSSA-N 1 3 362.518 0.635 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000999012642 1252024974 /nfs/dbraw/zinc/02/49/74/1252024974.db2.gz JTSLNBTXTRBDSD-JHNDHUHGSA-N 1 3 359.474 0.851 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000999012642 1252024982 /nfs/dbraw/zinc/02/49/82/1252024982.db2.gz JTSLNBTXTRBDSD-JHNDHUHGSA-N 1 3 359.474 0.851 20 0 FCADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001003744821 1253086896 /nfs/dbraw/zinc/08/68/96/1253086896.db2.gz BMNHKSUKCPZMNL-ZJPYXAASSA-N 1 3 362.518 0.917 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065291696 1254500863 /nfs/dbraw/zinc/50/08/63/1254500863.db2.gz XTQKYMHGEHPRRG-BZUAXINKSA-N 1 3 368.522 0.401 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065291696 1254500876 /nfs/dbraw/zinc/50/08/76/1254500876.db2.gz XTQKYMHGEHPRRG-BZUAXINKSA-N 1 3 368.522 0.401 20 0 FCADHO Cn1nccc1CCN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798712 1254619448 /nfs/dbraw/zinc/61/94/48/1254619448.db2.gz LOCZKTDLVJGQBI-YTQUADARSA-N 1 3 357.502 0.837 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440516 1254664569 /nfs/dbraw/zinc/66/45/69/1254664569.db2.gz OMNATYOCVYAFOL-GUDVDZBRSA-N 1 3 365.518 0.839 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440516 1254664580 /nfs/dbraw/zinc/66/45/80/1254664580.db2.gz OMNATYOCVYAFOL-GUDVDZBRSA-N 1 3 365.518 0.839 20 0 FCADHO CO[C@@H](C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263254 1255493607 /nfs/dbraw/zinc/49/36/07/1255493607.db2.gz QGLBFJJZGKBUMQ-BHYGNILZSA-N 1 3 362.474 0.927 20 0 FCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593236 1255946463 /nfs/dbraw/zinc/94/64/63/1255946463.db2.gz PWXBPGWDRQRKHP-NVXWUHKLSA-N 1 3 359.478 0.392 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001083833731 1257587146 /nfs/dbraw/zinc/58/71/46/1257587146.db2.gz RQHFQBXRAFDDBU-QRVBRYPASA-N 1 3 367.534 0.821 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@@H+]1C ZINC001084355879 1258047223 /nfs/dbraw/zinc/04/72/23/1258047223.db2.gz MKPCAURZKUKVMF-VDHUWJSZSA-N 1 3 358.486 0.758 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccn(C)c(=O)c4)C[C@H]32)CC[N@H+]1C ZINC001084355879 1258047230 /nfs/dbraw/zinc/04/72/30/1258047230.db2.gz MKPCAURZKUKVMF-VDHUWJSZSA-N 1 3 358.486 0.758 20 0 FCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001084941489 1258454877 /nfs/dbraw/zinc/45/48/77/1258454877.db2.gz LMIZWTRFXYXGSV-SQNIBIBYSA-N 1 3 358.490 0.543 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCn4cncn4)[C@H]3C2)CC[N@@H+]1C ZINC001084944737 1258457474 /nfs/dbraw/zinc/45/74/74/1258457474.db2.gz KJORYBRASJUUQM-XDNAFOTISA-N 1 3 360.506 0.931 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCn4cncn4)[C@H]3C2)CC[N@H+]1C ZINC001084944737 1258457480 /nfs/dbraw/zinc/45/74/80/1258457480.db2.gz KJORYBRASJUUQM-XDNAFOTISA-N 1 3 360.506 0.931 20 0 FCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153583 1258665085 /nfs/dbraw/zinc/66/50/85/1258665085.db2.gz BECVPNMGFTXUHI-HLLBOEOZSA-N 1 3 366.506 0.141 20 0 FCADHO CN1CCC[C@H](N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172183 1258692263 /nfs/dbraw/zinc/69/22/63/1258692263.db2.gz ZCBYMXHZAWUXJL-IKGGRYGDSA-N 1 3 360.502 0.483 20 0 FCADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)C1=O ZINC001088211989 1258734901 /nfs/dbraw/zinc/73/49/01/1258734901.db2.gz JGCWHQYUAVODMI-SQNIBIBYSA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)NCCN3CC[NH2+]CC3)c2)CC1 ZINC001331450341 1266216834 /nfs/dbraw/zinc/21/68/34/1266216834.db2.gz FBGDTWNBIIIHFH-UHFFFAOYSA-N 1 3 374.533 0.138 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105662638 1258922954 /nfs/dbraw/zinc/92/29/54/1258922954.db2.gz POOHHOXYAPHJAD-VVWQDTPRSA-N 1 3 368.522 0.040 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106666548 1258936816 /nfs/dbraw/zinc/93/68/16/1258936816.db2.gz NYHICNKHCNMGQG-CLCXKQKWSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106672156 1258938076 /nfs/dbraw/zinc/93/80/76/1258938076.db2.gz HRLROJLFPKLYLT-MGPQQGTHSA-N 1 3 369.510 0.232 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127695425 1259184392 /nfs/dbraw/zinc/18/43/92/1259184392.db2.gz KLPYNRZXRYHESZ-MELADBBJSA-N 1 3 369.510 0.435 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127695425 1259184399 /nfs/dbraw/zinc/18/43/99/1259184399.db2.gz KLPYNRZXRYHESZ-MELADBBJSA-N 1 3 369.510 0.435 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089639 1259308900 /nfs/dbraw/zinc/30/89/00/1259308900.db2.gz MNBHHYAAEUGORT-OAGGEKHMSA-N 1 3 364.494 0.386 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129089639 1259308906 /nfs/dbraw/zinc/30/89/06/1259308906.db2.gz MNBHHYAAEUGORT-OAGGEKHMSA-N 1 3 364.494 0.386 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001200537647 1259416545 /nfs/dbraw/zinc/41/65/45/1259416545.db2.gz SISQRJMDXKWDGZ-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001200537647 1259416551 /nfs/dbraw/zinc/41/65/51/1259416551.db2.gz SISQRJMDXKWDGZ-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCCO[C@H](CNCCF)C2)CC1 ZINC001200529697 1259416690 /nfs/dbraw/zinc/41/66/90/1259416690.db2.gz XIFNEEAPCSQTOD-KURKYZTESA-N 1 3 371.497 0.910 20 0 FCADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555244 1259416957 /nfs/dbraw/zinc/41/69/57/1259416957.db2.gz PLFNVAHUWVVJLP-YESZJQIVSA-N 1 3 368.522 0.450 20 0 FCADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555244 1259416963 /nfs/dbraw/zinc/41/69/63/1259416963.db2.gz PLFNVAHUWVVJLP-YESZJQIVSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1)C(=O)N(C)C ZINC001211669147 1259426416 /nfs/dbraw/zinc/42/64/16/1259426416.db2.gz KUHMZWXCFWYMKC-RYQLBKOJSA-N 1 3 360.502 0.999 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CC[NH+](C[C@@H]3CNC(C)(C)O3)CC2)C1 ZINC001235580485 1259578179 /nfs/dbraw/zinc/57/81/79/1259578179.db2.gz KNCSJLODJMOJSH-INIZCTEOSA-N 1 3 368.522 0.214 20 0 FCADHO COc1ccc(OC)c(CN2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246773973 1259689295 /nfs/dbraw/zinc/68/92/95/1259689295.db2.gz DPDDCAGOJUZSEN-KRWDZBQOSA-N 1 3 360.502 0.915 20 0 FCADHO COc1ccc(OC[C@H](O)CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001252718275 1259805578 /nfs/dbraw/zinc/80/55/78/1259805578.db2.gz PFAQFDHHVQZURJ-MRXNPFEDSA-N 1 3 365.474 0.531 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253182388 1259826854 /nfs/dbraw/zinc/82/68/54/1259826854.db2.gz ORDVMYXONSZZGQ-GOSISDBHSA-N 1 3 364.534 0.513 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862313 1259975830 /nfs/dbraw/zinc/97/58/30/1259975830.db2.gz CDKBGQGIZLRELZ-OALUTQOASA-N 1 3 372.513 0.972 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001256862313 1259975838 /nfs/dbraw/zinc/97/58/38/1259975838.db2.gz CDKBGQGIZLRELZ-OALUTQOASA-N 1 3 372.513 0.972 20 0 FCADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC[C@@H](O)c1ccccn1 ZINC001336794679 1260224564 /nfs/dbraw/zinc/22/45/64/1260224564.db2.gz MCARCDKPUCIMJN-RBUKOAKNSA-N 1 3 356.470 0.994 20 0 FCADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cn1 ZINC001336833273 1260233924 /nfs/dbraw/zinc/23/39/24/1260233924.db2.gz GNPOJVXIEKWVCZ-CYBMUJFWSA-N 1 3 371.279 0.620 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001262073562 1260256561 /nfs/dbraw/zinc/25/65/61/1260256561.db2.gz VWINNGZRPCTIHZ-IYARVYRRSA-N 1 3 360.502 0.863 20 0 FCADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001336966253 1260270967 /nfs/dbraw/zinc/27/09/67/1260270967.db2.gz WLTAUAAIBIWFGG-RDJZCZTQSA-N 1 3 362.474 0.247 20 0 FCADHO O=C(N[C@H]1CN2CCC1CC2)c1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001337409238 1260392561 /nfs/dbraw/zinc/39/25/61/1260392561.db2.gz KFIGRZJAAWPVKT-IYBDPMFKSA-N 1 3 372.469 0.928 20 0 FCADHO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(C(=O)N[C@@H]2CN3CCC2CC3)o1 ZINC001337409238 1260392567 /nfs/dbraw/zinc/39/25/67/1260392567.db2.gz KFIGRZJAAWPVKT-IYBDPMFKSA-N 1 3 372.469 0.928 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)C1 ZINC001271652534 1260444904 /nfs/dbraw/zinc/44/49/04/1260444904.db2.gz NWMAEHRTKICWFP-ZTFGCOKTSA-N 1 3 372.460 0.381 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)C1 ZINC001271652534 1260444908 /nfs/dbraw/zinc/44/49/08/1260444908.db2.gz NWMAEHRTKICWFP-ZTFGCOKTSA-N 1 3 372.460 0.381 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273253923 1260636438 /nfs/dbraw/zinc/63/64/38/1260636438.db2.gz HEBQJIIIWJHXDI-OKZBNKHCSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273253923 1260636442 /nfs/dbraw/zinc/63/64/42/1260636442.db2.gz HEBQJIIIWJHXDI-OKZBNKHCSA-N 1 3 364.534 0.977 20 0 FCADHO Cn1c(=O)cccc1C(=O)N1C[C@@H]2CCN(C[C@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001279502252 1260881369 /nfs/dbraw/zinc/88/13/69/1260881369.db2.gz PDJGMFPAURMNBD-XYJFISCASA-N 1 3 358.486 0.873 20 0 FCADHO Cn1c(=O)cccc1C(=O)N1C[C@@H]2CCN(C[C@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001279502252 1260881372 /nfs/dbraw/zinc/88/13/72/1260881372.db2.gz PDJGMFPAURMNBD-XYJFISCASA-N 1 3 358.486 0.873 20 0 FCADHO C[NH+](C)CCN1CCN(Cc2cc[nH]c(=O)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001279570093 1260894500 /nfs/dbraw/zinc/89/45/00/1260894500.db2.gz SCRJHPOGUZULBC-IBGZPJMESA-N 1 3 361.490 0.505 20 0 FCADHO CN(C)c1ncc(CNC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)cn1 ZINC001279880461 1260949843 /nfs/dbraw/zinc/94/98/43/1260949843.db2.gz YHQPDFUHVXAITI-UHFFFAOYSA-N 1 3 358.490 0.765 20 0 FCADHO C[NH+]1CCC(C)(CN2CC3(C[C@@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280214177 1261035688 /nfs/dbraw/zinc/03/56/88/1261035688.db2.gz AUIUALOTAXZXLU-QGZVFWFLSA-N 1 3 364.509 0.905 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258848 1261043385 /nfs/dbraw/zinc/04/33/85/1261043385.db2.gz OMLRYFJMEYMBPV-NVXWUHKLSA-N 1 3 361.490 0.706 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258848 1261043386 /nfs/dbraw/zinc/04/33/86/1261043386.db2.gz OMLRYFJMEYMBPV-NVXWUHKLSA-N 1 3 361.490 0.706 20 0 FCADHO CN1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258848 1261043388 /nfs/dbraw/zinc/04/33/88/1261043388.db2.gz OMLRYFJMEYMBPV-NVXWUHKLSA-N 1 3 361.490 0.706 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001281862126 1261241415 /nfs/dbraw/zinc/24/14/15/1261241415.db2.gz JRRZQAXOLUZGRQ-ARFHVFGLSA-N 1 3 368.522 0.258 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001281862126 1261241420 /nfs/dbraw/zinc/24/14/20/1261241420.db2.gz JRRZQAXOLUZGRQ-ARFHVFGLSA-N 1 3 368.522 0.258 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533796 1261472951 /nfs/dbraw/zinc/47/29/51/1261472951.db2.gz BKYGIDMPBVNDBL-SJLPKXTDSA-N 1 3 371.485 0.673 20 0 FCADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H](C)[NH+](C)C ZINC001304849593 1263152422 /nfs/dbraw/zinc/15/24/22/1263152422.db2.gz DSRNCRMCTGGAPP-GOEBONIOSA-N 1 3 363.510 0.279 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001479511623 1263235815 /nfs/dbraw/zinc/23/58/15/1263235815.db2.gz SHOMJGSKXZJBNC-HYVNUMGLSA-N 1 3 351.495 0.681 20 0 FCADHO CC(C)N1CC[NH+](CCCN2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001321695214 1264036426 /nfs/dbraw/zinc/03/64/26/1264036426.db2.gz FVYGBHJFBYTFPV-UHFFFAOYSA-N 1 3 367.538 0.472 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCc3ccns3)CC2)CC[N@@H+]1C ZINC001502870202 1264183200 /nfs/dbraw/zinc/18/32/00/1264183200.db2.gz HDGXSWTUYHXBPP-UKRRQHHQSA-N 1 3 352.504 0.926 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCc3ccns3)CC2)CC[N@H+]1C ZINC001502870202 1264183206 /nfs/dbraw/zinc/18/32/06/1264183206.db2.gz HDGXSWTUYHXBPP-UKRRQHHQSA-N 1 3 352.504 0.926 20 0 FCADHO CN1CCN(C)[C@@H](CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001322736164 1264253003 /nfs/dbraw/zinc/25/30/03/1264253003.db2.gz VYMBMMVAZNAGMM-SFHVURJKSA-N 1 3 374.533 0.483 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506099984 1264292909 /nfs/dbraw/zinc/29/29/09/1264292909.db2.gz BJIBFGNRJNZZHS-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506099984 1264292915 /nfs/dbraw/zinc/29/29/15/1264292915.db2.gz BJIBFGNRJNZZHS-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]21 ZINC001512855498 1264696824 /nfs/dbraw/zinc/69/68/24/1264696824.db2.gz TWDHFTMAJMLNAS-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]21 ZINC001512855498 1264696834 /nfs/dbraw/zinc/69/68/34/1264696834.db2.gz TWDHFTMAJMLNAS-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580407491 1278244577 /nfs/dbraw/zinc/24/45/77/1278244577.db2.gz KFGSXUHGFHUWJT-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580407491 1278244579 /nfs/dbraw/zinc/24/45/79/1278244579.db2.gz KFGSXUHGFHUWJT-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580407491 1278244586 /nfs/dbraw/zinc/24/45/86/1278244586.db2.gz KFGSXUHGFHUWJT-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580407491 1278244589 /nfs/dbraw/zinc/24/45/89/1278244589.db2.gz KFGSXUHGFHUWJT-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580407879 1278247555 /nfs/dbraw/zinc/24/75/55/1278247555.db2.gz QVPRUOBWDMTVCJ-CXAGYDPISA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580407879 1278247568 /nfs/dbraw/zinc/24/75/68/1278247568.db2.gz QVPRUOBWDMTVCJ-CXAGYDPISA-N 1 3 369.473 0.803 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21)N(C)C ZINC001514131001 1265325892 /nfs/dbraw/zinc/32/58/92/1265325892.db2.gz KAFJAPQIVLMUEH-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)NCC34CC(C3)C[NH2+]4)c2)CC1 ZINC001327494900 1265341051 /nfs/dbraw/zinc/34/10/51/1265341051.db2.gz CXXVCTVVJMSUQJ-UHFFFAOYSA-N 1 3 357.502 0.985 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047563 1267795405 /nfs/dbraw/zinc/79/54/05/1267795405.db2.gz SYRDSQQKWRZACW-CABCVRRESA-N 1 3 358.450 0.335 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001549140506 1267821984 /nfs/dbraw/zinc/82/19/84/1267821984.db2.gz ZXGCILHBXLVKIT-RDJZCZTQSA-N 1 3 366.506 0.014 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1=O ZINC001549296709 1267893578 /nfs/dbraw/zinc/89/35/78/1267893578.db2.gz SPVNZKDJOWDAHZ-FGTMMUONSA-N 1 3 358.486 0.658 20 0 FCADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3[C@@H](O)C(C)(C)[C@@H]32)C1 ZINC001549897050 1268014280 /nfs/dbraw/zinc/01/42/80/1268014280.db2.gz BYRXHTNYOLJJPJ-UKBAYJJMSA-N 1 3 367.534 0.941 20 0 FCADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3[C@@H](O)C(C)(C)[C@@H]32)C1 ZINC001549897050 1268014292 /nfs/dbraw/zinc/01/42/92/1268014292.db2.gz BYRXHTNYOLJJPJ-UKBAYJJMSA-N 1 3 367.534 0.941 20 0 FCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204824 1268090817 /nfs/dbraw/zinc/09/08/17/1268090817.db2.gz SUOHPZPMGOBDSF-CVEARBPZSA-N 1 3 350.507 0.953 20 0 FCADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204830 1268090995 /nfs/dbraw/zinc/09/09/95/1268090995.db2.gz SUOHPZPMGOBDSF-HZPDHXFCSA-N 1 3 350.507 0.953 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1CN3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476621 1268124427 /nfs/dbraw/zinc/12/44/27/1268124427.db2.gz ALGLFBORZGCHRT-HTCPCDBNSA-N 1 3 351.491 0.446 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)[C@@H]1CN3CCC[C@@H]3CO1)[C@@H](O)C2 ZINC001550476621 1268124431 /nfs/dbraw/zinc/12/44/31/1268124431.db2.gz ALGLFBORZGCHRT-HTCPCDBNSA-N 1 3 351.491 0.446 20 0 FCADHO COCCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001339016639 1268149976 /nfs/dbraw/zinc/14/99/76/1268149976.db2.gz OSLQHHZXINFFMZ-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO COCCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001339016639 1268149979 /nfs/dbraw/zinc/14/99/79/1268149979.db2.gz OSLQHHZXINFFMZ-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)C[C@H]2[NH3+])c1 ZINC001550732940 1268157582 /nfs/dbraw/zinc/15/75/82/1268157582.db2.gz VDIFEWPNTGGGCT-BRWVUGGUSA-N 1 3 354.458 0.743 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)C[C@@H]2[NH3+])c1 ZINC001550732943 1268157887 /nfs/dbraw/zinc/15/78/87/1268157887.db2.gz VDIFEWPNTGGGCT-IXDOHACOSA-N 1 3 354.458 0.743 20 0 FCADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551159372 1268209195 /nfs/dbraw/zinc/20/91/95/1268209195.db2.gz PSPDVSRFFCMUNN-KVZIAJEVSA-N 1 3 353.507 0.983 20 0 FCADHO C[N@H+]1CCC[C@](O)(CC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551159372 1268209204 /nfs/dbraw/zinc/20/92/04/1268209204.db2.gz PSPDVSRFFCMUNN-KVZIAJEVSA-N 1 3 353.507 0.983 20 0 FCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275657 1268220627 /nfs/dbraw/zinc/22/06/27/1268220627.db2.gz WEFOULPGDYUCAR-GARNVTTQSA-N 1 3 354.495 0.384 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551499077 1268262450 /nfs/dbraw/zinc/26/24/50/1268262450.db2.gz WBUYZTSMUJVJOG-VUGNNNGISA-N 1 3 354.495 0.778 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001552013518 1268352934 /nfs/dbraw/zinc/35/29/34/1268352934.db2.gz SYKMQEDIJRSBJB-TVFCKZIOSA-N 1 3 366.506 0.744 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168817 1268401164 /nfs/dbraw/zinc/40/11/64/1268401164.db2.gz WGOLUOLSSGLMAO-HZPDHXFCSA-N 1 3 361.494 0.053 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552202570 1268409430 /nfs/dbraw/zinc/40/94/30/1268409430.db2.gz KCCOHLKPUCBFKA-QUCCMNQESA-N 1 3 358.486 0.286 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001552202569 1268409673 /nfs/dbraw/zinc/40/96/73/1268409673.db2.gz KCCOHLKPUCBFKA-AZUAARDMSA-N 1 3 358.486 0.286 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@@H]4C[NH+](C)C[C@H]4C3)ccc2[nH]c1=O ZINC001552264809 1268427172 /nfs/dbraw/zinc/42/71/72/1268427172.db2.gz JQSULYJIOSWSJW-GJZGRUSLSA-N 1 3 357.458 0.937 20 0 FCADHO Cc1c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434306 1268461781 /nfs/dbraw/zinc/46/17/81/1268461781.db2.gz IREWHUJSJPDYFA-HOTGVXAUSA-N 1 3 362.478 0.494 20 0 FCADHO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001552957511 1268568911 /nfs/dbraw/zinc/56/89/11/1268568911.db2.gz JVSKTQKDEPQMQG-CABCVRRESA-N 1 3 351.495 0.642 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CCc3[nH]cnc3C23CC[NH2+]CC3)c1 ZINC001340866500 1268686830 /nfs/dbraw/zinc/68/68/30/1268686830.db2.gz HFWWZYQSTZHCQY-INIZCTEOSA-N 1 3 369.469 0.952 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CCc3nc[nH]c3C23CC[NH2+]CC3)c1 ZINC001340866500 1268686838 /nfs/dbraw/zinc/68/68/38/1268686838.db2.gz HFWWZYQSTZHCQY-INIZCTEOSA-N 1 3 369.469 0.952 20 0 FCADHO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CN1CCCC1 ZINC001556855029 1268900313 /nfs/dbraw/zinc/90/03/13/1268900313.db2.gz NZJUYZLSBGKYLC-GJZGRUSLSA-N 1 3 372.510 0.404 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001342939495 1269691355 /nfs/dbraw/zinc/69/13/55/1269691355.db2.gz IPQPNNFXEOOXKT-JFIYKMOQSA-N 1 3 368.522 0.399 20 0 FCADHO CCN(C)C(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001567746334 1269705134 /nfs/dbraw/zinc/70/51/34/1269705134.db2.gz CHGYVXLGVDUHLH-NVXWUHKLSA-N 1 3 352.523 0.975 20 0 FCADHO CCN(C)C(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001567746334 1269705138 /nfs/dbraw/zinc/70/51/38/1269705138.db2.gz CHGYVXLGVDUHLH-NVXWUHKLSA-N 1 3 352.523 0.975 20 0 FCADHO O=C(C[C@]1(O)CCC[NH2+]C1)NCc1ccccc1CN1CCC(O)CC1 ZINC001343439585 1269910586 /nfs/dbraw/zinc/91/05/86/1269910586.db2.gz RTVJBPFUWZKTQY-HXUWFJFHSA-N 1 3 361.486 0.764 20 0 FCADHO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2ccncc2)n1 ZINC001343824000 1270021628 /nfs/dbraw/zinc/02/16/28/1270021628.db2.gz VKDOTTRXTOCGIQ-MRXNPFEDSA-N 1 3 370.457 0.404 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2ccncc2)n1 ZINC001343824000 1270021642 /nfs/dbraw/zinc/02/16/42/1270021642.db2.gz VKDOTTRXTOCGIQ-MRXNPFEDSA-N 1 3 370.457 0.404 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001580611469 1278568181 /nfs/dbraw/zinc/56/81/81/1278568181.db2.gz KQTLGHAWCPKXDT-INIZCTEOSA-N 1 3 352.479 0.404 20 0 FCADHO CCc1nnc(N2CC[NH2+]CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001573839984 1270901169 /nfs/dbraw/zinc/90/11/69/1270901169.db2.gz IVUCGQWYTFJLHD-HNNXBMFYSA-N 1 3 363.510 0.193 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598414 1271401441 /nfs/dbraw/zinc/40/14/41/1271401441.db2.gz QJKMWLZKIZYRDW-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598414 1271401446 /nfs/dbraw/zinc/40/14/46/1271401446.db2.gz QJKMWLZKIZYRDW-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598414 1271401451 /nfs/dbraw/zinc/40/14/51/1271401451.db2.gz QJKMWLZKIZYRDW-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598414 1271401458 /nfs/dbraw/zinc/40/14/58/1271401458.db2.gz QJKMWLZKIZYRDW-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574853795 1271603728 /nfs/dbraw/zinc/60/37/28/1271603728.db2.gz SVVHYRBWNCLVIX-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574854634 1271607557 /nfs/dbraw/zinc/60/75/57/1271607557.db2.gz RPQGNFJLWLPQJD-AWEZNQCLSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574854634 1271607566 /nfs/dbraw/zinc/60/75/66/1271607566.db2.gz RPQGNFJLWLPQJD-AWEZNQCLSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575115958 1271729253 /nfs/dbraw/zinc/72/92/53/1271729253.db2.gz UAGTXRTWGWELCV-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575115958 1271729258 /nfs/dbraw/zinc/72/92/58/1271729258.db2.gz UAGTXRTWGWELCV-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575115958 1271729265 /nfs/dbraw/zinc/72/92/65/1271729265.db2.gz UAGTXRTWGWELCV-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575115958 1271729276 /nfs/dbraw/zinc/72/92/76/1271729276.db2.gz UAGTXRTWGWELCV-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO CC(C)(C)OC(=O)COCCOCCN[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC001575160604 1271757789 /nfs/dbraw/zinc/75/77/89/1271757789.db2.gz OKUBCIKBNMJZKN-HUUCEWRRSA-N 1 3 358.479 0.847 20 0 FCADHO CC(C)(C)OC(=O)COCCOCC[NH2+][C@@H]1C[C@@H](N)C12CCOCC2 ZINC001575160604 1271757796 /nfs/dbraw/zinc/75/77/96/1271757796.db2.gz OKUBCIKBNMJZKN-HUUCEWRRSA-N 1 3 358.479 0.847 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCC[C@](N)(CO)C2)CC1 ZINC001575172693 1271763768 /nfs/dbraw/zinc/76/37/68/1271763768.db2.gz OBDJQCVHBVRPFJ-MAUKXSAKSA-N 1 3 357.495 0.780 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2CCC[C@](N)(CO)C2)CC1 ZINC001575172693 1271763769 /nfs/dbraw/zinc/76/37/69/1271763769.db2.gz OBDJQCVHBVRPFJ-MAUKXSAKSA-N 1 3 357.495 0.780 20 0 FCADHO C[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001575391181 1272037363 /nfs/dbraw/zinc/03/73/63/1272037363.db2.gz HBYFAROSWBTWTB-KGLIPLIRSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC(C)([NH2+]Cc2cnn[nH]2)CC1 ZINC001575566527 1272203686 /nfs/dbraw/zinc/20/36/86/1272203686.db2.gz JORZOYWHRMLBEN-AWEZNQCLSA-N 1 3 350.467 0.244 20 0 FCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[NH+](C)C ZINC001576505714 1273374346 /nfs/dbraw/zinc/37/43/46/1273374346.db2.gz KPNIMHPEWOPOCX-JQWIXIFHSA-N 1 3 351.480 0.863 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(CNCc3cn[nH]n3)CCOCC2)C1 ZINC001576748215 1273619203 /nfs/dbraw/zinc/61/92/03/1273619203.db2.gz VGTYTVFBTKKFPU-GDBMZVCRSA-N 1 3 364.494 0.680 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794288 1273696761 /nfs/dbraw/zinc/69/67/61/1273696761.db2.gz DUELENXRHQOBGK-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794288 1273696768 /nfs/dbraw/zinc/69/67/68/1273696768.db2.gz DUELENXRHQOBGK-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794288 1273696778 /nfs/dbraw/zinc/69/67/78/1273696778.db2.gz DUELENXRHQOBGK-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794288 1273696786 /nfs/dbraw/zinc/69/67/86/1273696786.db2.gz DUELENXRHQOBGK-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577633732 1274621696 /nfs/dbraw/zinc/62/16/96/1274621696.db2.gz IEKOZMXUQNCPDY-MSOLQXFVSA-N 1 3 358.486 0.978 20 0 FCADHO CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577633735 1274622108 /nfs/dbraw/zinc/62/21/08/1274622108.db2.gz IEKOZMXUQNCPDY-ZWKOTPCHSA-N 1 3 358.486 0.978 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673907 1274707232 /nfs/dbraw/zinc/70/72/32/1274707232.db2.gz ZXVDOKPVFCTJJO-CJNGLKHVSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673907 1274707237 /nfs/dbraw/zinc/70/72/37/1274707237.db2.gz ZXVDOKPVFCTJJO-CJNGLKHVSA-N 1 3 372.477 0.783 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001577684785 1274739410 /nfs/dbraw/zinc/73/94/10/1274739410.db2.gz KIFBJPQULPCQGI-OAHLLOKOSA-N 1 3 353.511 0.570 20 0 FCADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@@H]1C ZINC001577760598 1274843766 /nfs/dbraw/zinc/84/37/66/1274843766.db2.gz YRHUUTWIPICRNE-KKUMJFAQSA-N 1 3 363.510 0.887 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577872196 1275062404 /nfs/dbraw/zinc/06/24/04/1275062404.db2.gz WDYOIGQJZTWPGJ-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577872196 1275062411 /nfs/dbraw/zinc/06/24/11/1275062411.db2.gz WDYOIGQJZTWPGJ-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577872196 1275062418 /nfs/dbraw/zinc/06/24/18/1275062418.db2.gz WDYOIGQJZTWPGJ-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577872196 1275062427 /nfs/dbraw/zinc/06/24/27/1275062427.db2.gz WDYOIGQJZTWPGJ-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH3+] ZINC001578142079 1275441612 /nfs/dbraw/zinc/44/16/12/1275441612.db2.gz KCAOGQGSABROGV-OAHLLOKOSA-N 1 3 352.483 0.322 20 0 FCADHO CCc1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001578311161 1275649392 /nfs/dbraw/zinc/64/93/92/1275649392.db2.gz DGGQZOVISHQYNZ-IRXDYDNUSA-N 1 3 363.554 0.899 20 0 FCADHO CCc1nnc(N2CC[C@@H]([NH2+]C)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001578314870 1275655294 /nfs/dbraw/zinc/65/52/94/1275655294.db2.gz FGGMVNDDUNEXCT-IAGOWNOFSA-N 1 3 363.554 0.912 20 0 FCADHO CCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001578326642 1275672381 /nfs/dbraw/zinc/67/23/81/1275672381.db2.gz MQAFTOQOXYHQKO-OAHLLOKOSA-N 1 3 365.526 0.030 20 0 FCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529711 1275961841 /nfs/dbraw/zinc/96/18/41/1275961841.db2.gz YLQVBRYLCSUBQA-QLFBSQMISA-N 1 3 350.463 0.550 20 0 FCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529712 1275962438 /nfs/dbraw/zinc/96/24/38/1275962438.db2.gz YLQVBRYLCSUBQA-RBSFLKMASA-N 1 3 350.463 0.550 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@@H](c2ccccc2)C1 ZINC001578533723 1275964883 /nfs/dbraw/zinc/96/48/83/1275964883.db2.gz VARBOEQAHJZERC-SFHLNBCPSA-N 1 3 372.513 0.717 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578977493 1276531768 /nfs/dbraw/zinc/53/17/68/1276531768.db2.gz RFBJXKFGPBELMP-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578977493 1276531774 /nfs/dbraw/zinc/53/17/74/1276531774.db2.gz RFBJXKFGPBELMP-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001578980139 1276540493 /nfs/dbraw/zinc/54/04/93/1276540493.db2.gz BHFVWRBQNFJCHN-OAHLLOKOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001578980139 1276540496 /nfs/dbraw/zinc/54/04/96/1276540496.db2.gz BHFVWRBQNFJCHN-OAHLLOKOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578980517 1276540847 /nfs/dbraw/zinc/54/08/47/1276540847.db2.gz JNOAMMZYSSICPY-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578980517 1276540850 /nfs/dbraw/zinc/54/08/50/1276540850.db2.gz JNOAMMZYSSICPY-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001578981267 1276542504 /nfs/dbraw/zinc/54/25/04/1276542504.db2.gz WGBJFOYWJRTFFM-UHFFFAOYSA-N 1 3 361.425 0.696 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578983127 1276546970 /nfs/dbraw/zinc/54/69/70/1276546970.db2.gz CFXORGQRXQQSME-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578983127 1276546972 /nfs/dbraw/zinc/54/69/72/1276546972.db2.gz CFXORGQRXQQSME-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cscc2-c2nnn[n-]2)C[C@H]1C[NH+](C)C ZINC001578991776 1276565030 /nfs/dbraw/zinc/56/50/30/1276565030.db2.gz FPWFSIWBMAVXPH-VXGBXAGGSA-N 1 3 363.491 0.740 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cscc2-c2nn[n-]n2)C[C@H]1C[NH+](C)C ZINC001578991776 1276565041 /nfs/dbraw/zinc/56/50/41/1276565041.db2.gz FPWFSIWBMAVXPH-VXGBXAGGSA-N 1 3 363.491 0.740 20 0 FCADHO COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021694 1276598760 /nfs/dbraw/zinc/59/87/60/1276598760.db2.gz PRTRFDSGYNBFPW-INIZCTEOSA-N 1 3 373.505 0.640 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001579022198 1276598951 /nfs/dbraw/zinc/59/89/51/1276598951.db2.gz TZDXUTNIUVWKJG-BZUAXINKSA-N 1 3 366.510 0.881 20 0 FCADHO C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001579325892 1277147213 /nfs/dbraw/zinc/14/72/13/1277147213.db2.gz GFLCXHFDFGACDP-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327516 1277155746 /nfs/dbraw/zinc/15/57/46/1277155746.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327516 1277155749 /nfs/dbraw/zinc/15/57/49/1277155749.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327516 1277155753 /nfs/dbraw/zinc/15/57/53/1277155753.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327516 1277155755 /nfs/dbraw/zinc/15/57/55/1277155755.db2.gz UZLWRSCZXSEOQH-HZPDHXFCSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327923 1277156763 /nfs/dbraw/zinc/15/67/63/1277156763.db2.gz ZHAXXRRGPHBTDX-HZPDHXFCSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327923 1277156768 /nfs/dbraw/zinc/15/67/68/1277156768.db2.gz ZHAXXRRGPHBTDX-HZPDHXFCSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579334936 1277172980 /nfs/dbraw/zinc/17/29/80/1277172980.db2.gz JVAPRRDCQJKDQX-OGVSOVDVSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579334936 1277172982 /nfs/dbraw/zinc/17/29/82/1277172982.db2.gz JVAPRRDCQJKDQX-OGVSOVDVSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579334936 1277172986 /nfs/dbraw/zinc/17/29/86/1277172986.db2.gz JVAPRRDCQJKDQX-OGVSOVDVSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579334936 1277172987 /nfs/dbraw/zinc/17/29/87/1277172987.db2.gz JVAPRRDCQJKDQX-OGVSOVDVSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001579910969 1277959252 /nfs/dbraw/zinc/95/92/52/1277959252.db2.gz YGPIQSUJJVSNSA-GOEBONIOSA-N 1 3 363.510 0.327 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC001580258855 1278056680 /nfs/dbraw/zinc/05/66/80/1278056680.db2.gz ZWYUGYYIFJOFMK-HUUCEWRRSA-N 1 3 351.495 0.629 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949102 1279155248 /nfs/dbraw/zinc/15/52/48/1279155248.db2.gz NSYPKEBKJNUZHI-OKILXGFUSA-N 1 3 372.477 0.995 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949102 1279155253 /nfs/dbraw/zinc/15/52/53/1279155253.db2.gz NSYPKEBKJNUZHI-OKILXGFUSA-N 1 3 372.477 0.995 20 0 FCADHO Cc1cc(N[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003673 1279221333 /nfs/dbraw/zinc/22/13/33/1279221333.db2.gz FGXSODPKLSIYJQ-CJNGLKHVSA-N 1 3 372.477 0.591 20 0 FCADHO Cc1cc(NC[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581009998 1279236133 /nfs/dbraw/zinc/23/61/33/1279236133.db2.gz BHIUIRFLTIZKLK-MLGOLLRUSA-N 1 3 374.493 0.742 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030766 1279268515 /nfs/dbraw/zinc/26/85/15/1279268515.db2.gz MQEQBUWQJHYHTA-DGCLKSJQSA-N 1 3 358.450 0.250 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030766 1279268518 /nfs/dbraw/zinc/26/85/18/1279268518.db2.gz MQEQBUWQJHYHTA-DGCLKSJQSA-N 1 3 358.450 0.250 20 0 FCADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716103410 1287372819 /nfs/dbraw/zinc/37/28/19/1287372819.db2.gz PIPBKTRDFXVXLH-OTWHNJEPSA-N 1 3 371.485 0.332 20 0 FCADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716103410 1287372823 /nfs/dbraw/zinc/37/28/23/1287372823.db2.gz PIPBKTRDFXVXLH-OTWHNJEPSA-N 1 3 371.485 0.332 20 0 FCADHO C[NH+](C)C[C@@H]1CN(c2nc3ccccn3c2-c2nnn[n-]2)C[C@H]1C[NH+](C)C ZINC001591021041 1284077766 /nfs/dbraw/zinc/07/77/66/1284077766.db2.gz ARKRLYQQMHMITK-ZIAGYGMSSA-N 1 3 369.477 0.690 20 0 FCADHO C[NH+](C)C[C@@H]1CN(c2nc3ccccn3c2-c2nn[n-]n2)C[C@H]1C[NH+](C)C ZINC001591021041 1284077772 /nfs/dbraw/zinc/07/77/72/1284077772.db2.gz ARKRLYQQMHMITK-ZIAGYGMSSA-N 1 3 369.477 0.690 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]21 ZINC001702427450 1285671617 /nfs/dbraw/zinc/67/16/17/1285671617.db2.gz RPOILRSEVXUNCO-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]21 ZINC001702427450 1285671621 /nfs/dbraw/zinc/67/16/21/1285671621.db2.gz RPOILRSEVXUNCO-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001593073011 1285967191 /nfs/dbraw/zinc/96/71/91/1285967191.db2.gz IGRVDDBBMRCDCY-KRWDZBQOSA-N 1 3 369.473 0.804 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001593073011 1285967195 /nfs/dbraw/zinc/96/71/95/1285967195.db2.gz IGRVDDBBMRCDCY-KRWDZBQOSA-N 1 3 369.473 0.804 20 0 FCADHO C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284582 1289049162 /nfs/dbraw/zinc/04/91/62/1289049162.db2.gz UXILANTZKMGYKJ-GOEBONIOSA-N 1 3 360.462 0.928 20 0 FCADHO C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284582 1289049165 /nfs/dbraw/zinc/04/91/65/1289049165.db2.gz UXILANTZKMGYKJ-GOEBONIOSA-N 1 3 360.462 0.928 20 0 FCADHO O[C@H](COc1ccccc1-c1nnn[n-]1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001593512335 1286190019 /nfs/dbraw/zinc/19/00/19/1286190019.db2.gz UVJYHFMWUWQQRH-CVEARBPZSA-N 1 3 372.473 0.928 20 0 FCADHO O[C@H](COc1ccccc1-c1nn[n-]n1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001593512335 1286190022 /nfs/dbraw/zinc/19/00/22/1286190022.db2.gz UVJYHFMWUWQQRH-CVEARBPZSA-N 1 3 372.473 0.928 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001719282772 1288021299 /nfs/dbraw/zinc/02/12/99/1288021299.db2.gz GIFZFVBNPTWAHV-IKGGRYGDSA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001719282772 1288021302 /nfs/dbraw/zinc/02/13/02/1288021302.db2.gz GIFZFVBNPTWAHV-IKGGRYGDSA-N 1 3 366.506 0.033 20 0 FCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001606882577 1288546548 /nfs/dbraw/zinc/54/65/48/1288546548.db2.gz OXDDVJZHEQUBFS-GASCZTMLSA-N 1 3 367.457 0.699 20 0 FCADHO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001606882577 1288546549 /nfs/dbraw/zinc/54/65/49/1288546549.db2.gz OXDDVJZHEQUBFS-GASCZTMLSA-N 1 3 367.457 0.699 20 0 FCADHO c1cc(-c2nnn[n-]2)cc(C2([NH2+]C[C@H]3CC4(C[NH2+]C4)CO3)CCOCC2)c1 ZINC001607113873 1288667636 /nfs/dbraw/zinc/66/76/36/1288667636.db2.gz XXIJFGNLNWGIFF-MRXNPFEDSA-N 1 3 370.457 0.841 20 0 FCADHO c1cc(-c2nn[n-]n2)cc(C2([NH2+]C[C@H]3CC4(C[NH2+]C4)CO3)CCOCC2)c1 ZINC001607113873 1288667640 /nfs/dbraw/zinc/66/76/40/1288667640.db2.gz XXIJFGNLNWGIFF-MRXNPFEDSA-N 1 3 370.457 0.841 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001739235972 1289823855 /nfs/dbraw/zinc/82/38/55/1289823855.db2.gz FAJPSHVAZGFRGL-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001739235972 1289823872 /nfs/dbraw/zinc/82/38/72/1289823872.db2.gz FAJPSHVAZGFRGL-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001702362230 1290131978 /nfs/dbraw/zinc/13/19/78/1290131978.db2.gz JYSBBGUOPJHWKH-OAGGEKHMSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1O ZINC001739663081 1290327401 /nfs/dbraw/zinc/32/74/01/1290327401.db2.gz CUNKEPQUKFHJGN-ZACQAIPSSA-N 1 3 368.522 0.137 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1O ZINC001739663081 1290327409 /nfs/dbraw/zinc/32/74/09/1290327409.db2.gz CUNKEPQUKFHJGN-ZACQAIPSSA-N 1 3 368.522 0.137 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001688984904 1294559347 /nfs/dbraw/zinc/55/93/47/1294559347.db2.gz MKXNUILCURHPPJ-MELADBBJSA-N 1 3 367.494 0.189 20 0 FCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001688985174 1294560378 /nfs/dbraw/zinc/56/03/78/1294560378.db2.gz UEKULDZVPNGGCT-LSDHHAIUSA-N 1 3 351.495 0.370 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001689099949 1294616955 /nfs/dbraw/zinc/61/69/55/1294616955.db2.gz LFXZOTYWOPYJHN-KFWWJZLASA-N 1 3 367.494 0.001 20 0 FCADHO c1ncc(O[C@@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CCN3C2)cn1 ZINC001164740904 720806843 /nfs/dbraw/zinc/80/68/43/720806843.db2.gz AWIGVWWUTGURBK-LSDHHAIUSA-N 1 3 353.430 0.295 20 0 FCADHO Cn1cc(CN2CC[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@@H]3C2)cn1 ZINC001164767980 721249482 /nfs/dbraw/zinc/24/94/82/721249482.db2.gz XIROHAVXLXSWKK-WBVHZDCISA-N 1 3 353.474 0.855 20 0 FCADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883618 721400227 /nfs/dbraw/zinc/40/02/27/721400227.db2.gz BGAJPIIEHGNGMQ-MJGOQNOKSA-N 1 3 360.506 0.701 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)C1 ZINC001099341478 844033903 /nfs/dbraw/zinc/03/39/03/844033903.db2.gz FLYHXFWCVDAONG-YNEHKIRRSA-N 1 3 360.384 0.209 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)C1 ZINC001099341478 844033908 /nfs/dbraw/zinc/03/39/08/844033908.db2.gz FLYHXFWCVDAONG-YNEHKIRRSA-N 1 3 360.384 0.209 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257010 844122322 /nfs/dbraw/zinc/12/23/22/844122322.db2.gz CQCITNVSVXQDMY-RYRKJORJSA-N 1 3 359.486 0.456 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101257010 844122324 /nfs/dbraw/zinc/12/23/24/844122324.db2.gz CQCITNVSVXQDMY-RYRKJORJSA-N 1 3 359.486 0.456 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000751038148 836461064 /nfs/dbraw/zinc/46/10/64/836461064.db2.gz IYZHPGRUAHPHTC-HZPDHXFCSA-N 1 3 369.579 0.878 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000751038148 836461070 /nfs/dbraw/zinc/46/10/70/836461070.db2.gz IYZHPGRUAHPHTC-HZPDHXFCSA-N 1 3 369.579 0.878 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101400306 844174681 /nfs/dbraw/zinc/17/46/81/844174681.db2.gz QHJFWTVMRNXWIU-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101400306 844174683 /nfs/dbraw/zinc/17/46/83/844174683.db2.gz QHJFWTVMRNXWIU-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CN(CCOCC(F)F)C[C@@]2(C)C1 ZINC001101432112 844184231 /nfs/dbraw/zinc/18/42/31/844184231.db2.gz BHHGSZVLILUYJC-PBHICJAKSA-N 1 3 363.449 0.627 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CN(C)C3CCC3)CCC2)CC[N@@H+]1C ZINC001063401994 836766003 /nfs/dbraw/zinc/76/60/03/836766003.db2.gz IZCRWSQEKSTRGF-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CN(C)C3CCC3)CCC2)CC[N@H+]1C ZINC001063401994 836766015 /nfs/dbraw/zinc/76/60/15/836766015.db2.gz IZCRWSQEKSTRGF-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219795 838821977 /nfs/dbraw/zinc/82/19/77/838821977.db2.gz YQPZXLPDRRPMDT-BRWVUGGUSA-N 1 3 351.491 0.450 20 0 FCADHO CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](F)CN(CC)CC)[C@H](C)C1 ZINC001102015890 844374831 /nfs/dbraw/zinc/37/48/31/844374831.db2.gz URYWWTRKVNUFLE-BZUAXINKSA-N 1 3 358.502 0.829 20 0 FCADHO CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](F)CN(CC)CC)[C@H](C)C1 ZINC001102015890 844374842 /nfs/dbraw/zinc/37/48/42/844374842.db2.gz URYWWTRKVNUFLE-BZUAXINKSA-N 1 3 358.502 0.829 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001077618750 839072349 /nfs/dbraw/zinc/07/23/49/839072349.db2.gz RVDLJDHNKNHVJS-KZNAEPCWSA-N 1 3 353.507 0.695 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048724 844396381 /nfs/dbraw/zinc/39/63/81/844396381.db2.gz MQSXVFQSJUNAQE-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048724 844396388 /nfs/dbraw/zinc/39/63/88/844396388.db2.gz MQSXVFQSJUNAQE-QGPMSJSTSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051627 844397781 /nfs/dbraw/zinc/39/77/81/844397781.db2.gz BFBCAGNOSGLYRA-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051627 844397790 /nfs/dbraw/zinc/39/77/90/844397790.db2.gz BFBCAGNOSGLYRA-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171461 844434078 /nfs/dbraw/zinc/43/40/78/844434078.db2.gz YXIVGCIUKLOWJB-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171461 844434079 /nfs/dbraw/zinc/43/40/79/844434079.db2.gz YXIVGCIUKLOWJB-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288800 844458697 /nfs/dbraw/zinc/45/86/97/844458697.db2.gz WBXBKNSVCAOGOD-HZPDHXFCSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001080667406 839774141 /nfs/dbraw/zinc/77/41/41/839774141.db2.gz CJRIHSRQAPEORL-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001080667406 839774146 /nfs/dbraw/zinc/77/41/46/839774146.db2.gz CJRIHSRQAPEORL-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001081959834 840123989 /nfs/dbraw/zinc/12/39/89/840123989.db2.gz ZSDQBWIPAUXSGY-RVKOJVRFSA-N 1 3 351.491 0.711 20 0 FCADHO CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001081959834 840123997 /nfs/dbraw/zinc/12/39/97/840123997.db2.gz ZSDQBWIPAUXSGY-RVKOJVRFSA-N 1 3 351.491 0.711 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102475241 844516217 /nfs/dbraw/zinc/51/62/17/844516217.db2.gz FRMKYDIELXPXAI-ZACQAIPSSA-N 1 3 359.511 0.036 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102475241 844516222 /nfs/dbraw/zinc/51/62/22/844516222.db2.gz FRMKYDIELXPXAI-ZACQAIPSSA-N 1 3 359.511 0.036 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497419 844531106 /nfs/dbraw/zinc/53/11/06/844531106.db2.gz RXVKBIAHEDAENV-BZUAXINKSA-N 1 3 361.552 0.693 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CCC1 ZINC001082329066 840313280 /nfs/dbraw/zinc/31/32/80/840313280.db2.gz ZJZKSRLHSFSEHU-BRWVUGGUSA-N 1 3 351.491 0.713 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497419 844531104 /nfs/dbraw/zinc/53/11/04/844531104.db2.gz RXVKBIAHEDAENV-BZUAXINKSA-N 1 3 361.552 0.693 20 0 FCADHO CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513755 844544650 /nfs/dbraw/zinc/54/46/50/844544650.db2.gz AEVXYDFYPJBXTJ-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741744 840542685 /nfs/dbraw/zinc/54/26/85/840542685.db2.gz AHHUIVZCZCEIKJ-GVDBMIGSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082741110 840543519 /nfs/dbraw/zinc/54/35/19/840543519.db2.gz PWBOJZVJFLMCTC-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082743710 840544343 /nfs/dbraw/zinc/54/43/43/840544343.db2.gz WVUFFQHIQBJCNC-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524668 844551444 /nfs/dbraw/zinc/55/14/44/844551444.db2.gz QCYKPRNZELXYPW-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102524668 844551447 /nfs/dbraw/zinc/55/14/47/844551447.db2.gz QCYKPRNZELXYPW-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102600067 844591158 /nfs/dbraw/zinc/59/11/58/844591158.db2.gz KNDSRARNGXJPJP-ZACQAIPSSA-N 1 3 351.495 0.268 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102600067 844591160 /nfs/dbraw/zinc/59/11/60/844591160.db2.gz KNDSRARNGXJPJP-ZACQAIPSSA-N 1 3 351.495 0.268 20 0 FCADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654827 841281007 /nfs/dbraw/zinc/28/10/07/841281007.db2.gz IOWCNNMLFGTGBR-ASLPWWTFSA-N 1 3 351.491 0.447 20 0 FCADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654827 841281018 /nfs/dbraw/zinc/28/10/18/841281018.db2.gz IOWCNNMLFGTGBR-ASLPWWTFSA-N 1 3 351.491 0.447 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)CN1CC[C@@H](O)C1)CC2 ZINC001275799913 861195803 /nfs/dbraw/zinc/19/58/03/861195803.db2.gz PKWLFIZMKKWNIE-OAHLLOKOSA-N 1 3 364.515 0.943 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001275799913 861195806 /nfs/dbraw/zinc/19/58/06/861195806.db2.gz PKWLFIZMKKWNIE-OAHLLOKOSA-N 1 3 364.515 0.943 20 0 FCADHO Cc1ncsc1CN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001275799913 861195811 /nfs/dbraw/zinc/19/58/11/861195811.db2.gz PKWLFIZMKKWNIE-OAHLLOKOSA-N 1 3 364.515 0.943 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083908411 841555684 /nfs/dbraw/zinc/55/56/84/841555684.db2.gz BIXZQOFKGXMMKF-KURKYZTESA-N 1 3 353.507 0.837 20 0 FCADHO CC(=O)[C@@H](C)N1C[C@@]2(CCN(CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833362 861218905 /nfs/dbraw/zinc/21/89/05/861218905.db2.gz CIULDASTJJPPSJ-BEFAXECRSA-N 1 3 351.491 0.999 20 0 FCADHO CN(C)CCN1CC2(CN(CC3(C[NH+](C)C)CCCC3)C2)OCC1=O ZINC001275862063 861230314 /nfs/dbraw/zinc/23/03/14/861230314.db2.gz AQJSXLRZZGLZLV-UHFFFAOYSA-N 1 3 352.523 0.583 20 0 FCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCC2)C1 ZINC001085331892 842079016 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CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994323 844682025 /nfs/dbraw/zinc/68/20/25/844682025.db2.gz YKKNMEBCIJHZEE-DJIMGWMZSA-N 1 3 350.507 0.539 20 0 FCADHO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001103050136 844690284 /nfs/dbraw/zinc/69/02/84/844690284.db2.gz UCNSOOBDPNSSDK-BZUAXINKSA-N 1 3 358.502 0.877 20 0 FCADHO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001103050136 844690288 /nfs/dbraw/zinc/69/02/88/844690288.db2.gz UCNSOOBDPNSSDK-BZUAXINKSA-N 1 3 358.502 0.877 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103397019 844751109 /nfs/dbraw/zinc/75/11/09/844751109.db2.gz VCILLAMNEOBYEX-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433951 844757599 /nfs/dbraw/zinc/75/75/99/844757599.db2.gz OTRUJFCVLINWCJ-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433951 844757600 /nfs/dbraw/zinc/75/76/00/844757600.db2.gz OTRUJFCVLINWCJ-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436375 844757929 /nfs/dbraw/zinc/75/79/29/844757929.db2.gz VPPUOSUQPLLUDU-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436375 844757934 /nfs/dbraw/zinc/75/79/34/844757934.db2.gz VPPUOSUQPLLUDU-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103444811 844760182 /nfs/dbraw/zinc/76/01/82/844760182.db2.gz KIWOIGPPFZJHEE-OAGGEKHMSA-N 1 3 353.511 0.426 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103444811 844760188 /nfs/dbraw/zinc/76/01/88/844760188.db2.gz KIWOIGPPFZJHEE-OAGGEKHMSA-N 1 3 353.511 0.426 20 0 FCADHO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103723527 844808981 /nfs/dbraw/zinc/80/89/81/844808981.db2.gz OCMSYAKTCXVZOX-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103723527 844808984 /nfs/dbraw/zinc/80/89/84/844808984.db2.gz OCMSYAKTCXVZOX-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001103999632 844852306 /nfs/dbraw/zinc/85/23/06/844852306.db2.gz FRGQYAZGBADVNP-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001103999998 844852422 /nfs/dbraw/zinc/85/24/22/844852422.db2.gz RILJZBZGERTKAN-ZACQAIPSSA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104256742 844883126 /nfs/dbraw/zinc/88/31/26/844883126.db2.gz OCVYHSSHJDTERT-BZUAXINKSA-N 1 3 358.502 0.829 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001104319156 844894615 /nfs/dbraw/zinc/89/46/15/844894615.db2.gz FUGKYJJXWCIWKG-ZACQAIPSSA-N 1 3 350.511 0.939 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001104348636 844896235 /nfs/dbraw/zinc/89/62/35/844896235.db2.gz MCOZRHHMUIFABQ-DJIMGWMZSA-N 1 3 352.523 0.927 20 0 FCADHO COCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433585 844911441 /nfs/dbraw/zinc/91/14/41/844911441.db2.gz MFBJUIOTAAGISV-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104811595 844946255 /nfs/dbraw/zinc/94/62/55/844946255.db2.gz BVDIVVHBOQFRSV-HZPDHXFCSA-N 1 3 361.552 0.837 20 0 FCADHO COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675495 845017065 /nfs/dbraw/zinc/01/70/65/845017065.db2.gz PSSAYDLYDNYXRB-PSBWJHGTSA-N 1 3 355.523 0.939 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106249785 845143095 /nfs/dbraw/zinc/14/30/95/845143095.db2.gz PWFOVAFYWDFPJO-FRFSOERESA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)N(C)C ZINC001106281788 845147024 /nfs/dbraw/zinc/14/70/24/845147024.db2.gz CNWZPUPNRGEUSC-RKVPGOIHSA-N 1 3 352.523 0.878 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1)N(C)C ZINC001106282192 845147932 /nfs/dbraw/zinc/14/79/32/845147932.db2.gz XRRMDQSMXGUPLZ-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106665144 845218796 /nfs/dbraw/zinc/21/87/96/845218796.db2.gz JKLLNXJPISYQOW-OWCLPIDISA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001106666335 845219142 /nfs/dbraw/zinc/21/91/42/845219142.db2.gz KXQIQZOAQFMGPF-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106665143 845219327 /nfs/dbraw/zinc/21/93/27/845219327.db2.gz JKLLNXJPISYQOW-BZUAXINKSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106673255 845221656 /nfs/dbraw/zinc/22/16/56/845221656.db2.gz SYLZPAHEDQLFQB-HUUCEWRRSA-N 1 3 361.552 0.693 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106778843 845250454 /nfs/dbraw/zinc/25/04/54/845250454.db2.gz UMTHMTRLFMCYST-ZACQAIPSSA-N 1 3 351.495 0.270 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106797824 845255620 /nfs/dbraw/zinc/25/56/20/845255620.db2.gz YBRQXFLCXJIPRG-HZPDHXFCSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@H](NC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106880583 845277827 /nfs/dbraw/zinc/27/78/27/845277827.db2.gz KVPZKSUYKPLYHQ-QLFBSQMISA-N 1 3 352.483 0.138 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438879 845373132 /nfs/dbraw/zinc/37/31/32/845373132.db2.gz MAIHAFWQBKBBKM-YQVWRLOYSA-N 1 3 353.507 0.839 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438879 845373137 /nfs/dbraw/zinc/37/31/37/845373137.db2.gz MAIHAFWQBKBBKM-YQVWRLOYSA-N 1 3 353.507 0.839 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(CC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001107952888 845418893 /nfs/dbraw/zinc/41/88/93/845418893.db2.gz MYJCUELFWPNHGX-SZVBFZGTSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(CC3CCOCC3)CCO2)CC[N@H+]1C ZINC001107952888 845418894 /nfs/dbraw/zinc/41/88/94/845418894.db2.gz MYJCUELFWPNHGX-SZVBFZGTSA-N 1 3 353.507 0.960 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115162 845798737 /nfs/dbraw/zinc/79/87/37/845798737.db2.gz QFNMEZBJFCMGQL-OWSLCNJRSA-N 1 3 353.507 0.981 20 0 FCADHO CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001111658707 846169095 /nfs/dbraw/zinc/16/90/95/846169095.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001111658707 846169100 /nfs/dbraw/zinc/16/91/00/846169100.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658707 846169107 /nfs/dbraw/zinc/16/91/07/846169107.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658707 846169113 /nfs/dbraw/zinc/16/91/13/846169113.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984863 846282202 /nfs/dbraw/zinc/28/22/02/846282202.db2.gz RWAGSFAISCSZFB-KXBFYZLASA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984863 846282212 /nfs/dbraw/zinc/28/22/12/846282212.db2.gz RWAGSFAISCSZFB-KXBFYZLASA-N 1 3 350.507 0.968 20 0 FCADHO CCOC(=O)CCCN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276887961 861670345 /nfs/dbraw/zinc/67/03/45/861670345.db2.gz LDTZXJNUTVENOW-SFHVURJKSA-N 1 3 355.479 0.442 20 0 FCADHO COCCOCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154235 846421500 /nfs/dbraw/zinc/42/15/00/846421500.db2.gz BCTAEDVQINGFHN-ZIAGYGMSSA-N 1 3 369.428 0.970 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112166239 846429745 /nfs/dbraw/zinc/42/97/45/846429745.db2.gz KVTKDDBGMJTXTF-MGPQQGTHSA-N 1 3 367.412 0.316 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112166239 846429748 /nfs/dbraw/zinc/42/97/48/846429748.db2.gz KVTKDDBGMJTXTF-MGPQQGTHSA-N 1 3 367.412 0.316 20 0 FCADHO COC[C@@H](C)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194215 846452482 /nfs/dbraw/zinc/45/24/82/846452482.db2.gz SMFCNLLXUAUXBB-JHJVBQTASA-N 1 3 355.401 0.578 20 0 FCADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112196457 846455456 /nfs/dbraw/zinc/45/54/56/846455456.db2.gz LSHZSKUPUGAFBO-BFHYXJOUSA-N 1 3 369.428 0.705 20 0 FCADHO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399166 846500876 /nfs/dbraw/zinc/50/08/76/846500876.db2.gz FXKYBGBJTLYCLE-WDYCEAGBSA-N 1 3 350.507 0.633 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112548850 846521434 /nfs/dbraw/zinc/52/14/34/846521434.db2.gz VSHZXFLQZRAGMF-BXWFABGCSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112567326 846526543 /nfs/dbraw/zinc/52/65/43/846526543.db2.gz IVMVVINRBNFESA-BXWFABGCSA-N 1 3 350.507 0.825 20 0 FCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001119310323 847808017 /nfs/dbraw/zinc/80/80/17/847808017.db2.gz YKWXOELVGGPDOU-WMLDXEAASA-N 1 3 352.479 0.086 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cn1 ZINC001119764971 847968345 /nfs/dbraw/zinc/96/83/45/847968345.db2.gz DJKSHHAGNAALOO-CVEARBPZSA-N 1 3 350.467 0.508 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001121928021 848420116 /nfs/dbraw/zinc/42/01/16/848420116.db2.gz MAIVPTVUGUORRK-FGTMMUONSA-N 1 3 352.523 0.677 20 0 FCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993641 848430840 /nfs/dbraw/zinc/43/08/40/848430840.db2.gz WYTPNWSFCSCYGI-HNKHHVNMSA-N 1 3 351.495 0.497 20 0 FCADHO CCc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001127643907 848729585 /nfs/dbraw/zinc/72/95/85/848729585.db2.gz QXWGETFWQWDIPT-CZUORRHYSA-N 1 3 366.531 0.973 20 0 FCADHO CCc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001127643907 848729595 /nfs/dbraw/zinc/72/95/95/848729595.db2.gz QXWGETFWQWDIPT-CZUORRHYSA-N 1 3 366.531 0.973 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC001127637986 848730227 /nfs/dbraw/zinc/73/02/27/848730227.db2.gz DNHDJDMLSHNJLR-CZUORRHYSA-N 1 3 353.488 0.636 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCc2cccc(S(C)(=O)=O)c2)CC[N@H+]1C ZINC001127637986 848730232 /nfs/dbraw/zinc/73/02/32/848730232.db2.gz DNHDJDMLSHNJLR-CZUORRHYSA-N 1 3 353.488 0.636 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638544 848730665 /nfs/dbraw/zinc/73/06/65/848730665.db2.gz LTBZRIATKQRQBQ-JHJVBQTASA-N 1 3 355.483 0.045 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001127638544 848730669 /nfs/dbraw/zinc/73/06/69/848730669.db2.gz LTBZRIATKQRQBQ-JHJVBQTASA-N 1 3 355.483 0.045 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706560 848733030 /nfs/dbraw/zinc/73/30/30/848733030.db2.gz MZIFXIZIRSFGJU-OWCLPIDISA-N 1 3 356.511 0.354 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706560 848733033 /nfs/dbraw/zinc/73/30/33/848733033.db2.gz MZIFXIZIRSFGJU-OWCLPIDISA-N 1 3 356.511 0.354 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894833 848909791 /nfs/dbraw/zinc/90/97/91/848909791.db2.gz UUXPYEKEMUCUSI-KFWWJZLASA-N 1 3 350.467 0.139 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009510 848931258 /nfs/dbraw/zinc/93/12/58/848931258.db2.gz SLEGARWWMGCPAX-PMPSAXMXSA-N 1 3 352.483 0.386 20 0 FCADHO CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[n-]1)[NH+](C)C ZINC001130221175 848978927 /nfs/dbraw/zinc/97/89/27/848978927.db2.gz YFFXTGRUTFLUPA-MJBXVCDLSA-N 1 3 352.483 0.632 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130221108 848978989 /nfs/dbraw/zinc/97/89/89/848978989.db2.gz VDWMAJLWIPWWET-KCQAQPDRSA-N 1 3 350.467 0.243 20 0 FCADHO CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001130290588 848997127 /nfs/dbraw/zinc/99/71/27/848997127.db2.gz GKEKOXBIIZWIBT-WBVHZDCISA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1)N(C)C ZINC001130614669 849020065 /nfs/dbraw/zinc/02/00/65/849020065.db2.gz AUPJNBUKPBVTGM-USXIJHARSA-N 1 3 351.495 0.681 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)COC)C1 ZINC001130719332 849028681 /nfs/dbraw/zinc/02/86/81/849028681.db2.gz JYYICJZCCFWWQT-HLLBOEOZSA-N 1 3 351.495 0.681 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1 ZINC001130719679 849029966 /nfs/dbraw/zinc/02/99/66/849029966.db2.gz ZTJYIPZWYQAQAB-DOTOQJQBSA-N 1 3 351.495 0.682 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)N(C)C ZINC001131010380 849070047 /nfs/dbraw/zinc/07/00/47/849070047.db2.gz KTDNGHRECZNLCM-INMHGKMJSA-N 1 3 351.495 0.273 20 0 FCADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)no1 ZINC001143140197 849476972 /nfs/dbraw/zinc/47/69/72/849476972.db2.gz LLSLBNBNRAKCND-CYBMUJFWSA-N 1 3 352.435 0.949 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761361 862056737 /nfs/dbraw/zinc/05/67/37/862056737.db2.gz MKDRUPHCCCKWSX-IBGZPJMESA-N 1 3 352.523 0.462 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761361 862056749 /nfs/dbraw/zinc/05/67/49/862056749.db2.gz MKDRUPHCCCKWSX-IBGZPJMESA-N 1 3 352.523 0.462 20 0 FCADHO CC(C)N(C)[C@H]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001157000580 849936483 /nfs/dbraw/zinc/93/64/83/849936483.db2.gz GMVUCUHKURAMFH-ZDUSSCGKSA-N 1 3 367.519 0.487 20 0 FCADHO C[C@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1F ZINC001157926311 850004273 /nfs/dbraw/zinc/00/42/73/850004273.db2.gz ORZGCOJHUGHEOD-WSMBLCCSSA-N 1 3 360.449 0.732 20 0 FCADHO CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CC[C@H](O)CC1 ZINC001157997760 850011465 /nfs/dbraw/zinc/01/14/65/850011465.db2.gz PVTSXJLUQNVUFJ-VGWMRTNUSA-N 1 3 354.495 0.196 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1(N)CC(F)C1)C2 ZINC001158383421 850043366 /nfs/dbraw/zinc/04/33/66/850043366.db2.gz PIJYBXHDPKADKC-SGYKNSOCSA-N 1 3 367.343 0.359 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](N)C(C)(C)C)C2 ZINC001158386659 850044522 /nfs/dbraw/zinc/04/45/22/850044522.db2.gz ZWRHKSXLXPAJOW-COLVAYQJSA-N 1 3 365.396 0.903 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158420882 850048495 /nfs/dbraw/zinc/04/84/95/850048495.db2.gz ACHNWVAYPVZNMJ-YTFOTSKYSA-N 1 3 356.536 0.561 20 0 FCADHO N[C@H](C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158576792 850060164 /nfs/dbraw/zinc/06/01/64/850060164.db2.gz DPKIHNIRVIERNA-KFWWJZLASA-N 1 3 355.454 0.782 20 0 FCADHO CN1CCC(N(c2nc(Cl)cnc2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158575679 850060813 /nfs/dbraw/zinc/06/08/13/850060813.db2.gz QWLFHEBJAJIVPU-UHFFFAOYSA-N 1 3 352.870 0.882 20 0 FCADHO CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC12CCCCC2 ZINC001158700607 850067753 /nfs/dbraw/zinc/06/77/53/850067753.db2.gz CGQNKEKGYGLDJH-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158697581 850068192 /nfs/dbraw/zinc/06/81/92/850068192.db2.gz DGAWBHGGKOMJRC-HNNXBMFYSA-N 1 3 350.511 0.867 20 0 FCADHO Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H](N)CSCC[NH3+])CC3)cn1 ZINC001158992253 850090036 /nfs/dbraw/zinc/09/00/36/850090036.db2.gz UHRHJIDMGNWOHZ-ZFWWWQNUSA-N 1 3 367.519 0.304 20 0 FCADHO CC[C@@H]1N(C(=O)[C@@H](N)CCC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159278819 850106891 /nfs/dbraw/zinc/10/68/91/850106891.db2.gz DBYPROCQNULOGM-MPGHIAIKSA-N 1 3 354.495 0.461 20 0 FCADHO CCN1C[C@H]2CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC[C@H]2S1(=O)=O ZINC001159404590 850111940 /nfs/dbraw/zinc/11/19/40/850111940.db2.gz UJKBYQQPNRPRBQ-OWCLPIDISA-N 1 3 374.551 0.318 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159404929 850112250 /nfs/dbraw/zinc/11/22/50/850112250.db2.gz ZKZATBMYXYPXSF-IFIJOSMWSA-N 1 3 352.410 0.141 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834932 850138956 /nfs/dbraw/zinc/13/89/56/850138956.db2.gz WUHBQMZEWMRRGS-HZSPNIEDSA-N 1 3 369.560 0.585 20 0 FCADHO N[C@@H](C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611191 850185380 /nfs/dbraw/zinc/18/53/80/850185380.db2.gz SFRIPMQNYISADH-JKSUJKDBSA-N 1 3 351.472 0.388 20 0 FCADHO NC1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC(F)C1 ZINC001161198820 850238761 /nfs/dbraw/zinc/23/87/61/850238761.db2.gz ZHJQHNCUVLEURW-UHFFFAOYSA-N 1 3 356.486 0.366 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161378856 850255360 /nfs/dbraw/zinc/25/53/60/850255360.db2.gz AGRYAWLDJQDLLP-CABCVRRESA-N 1 3 355.479 0.629 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1csc([C@H]3CCCN3)n1)CC2 ZINC001161477331 850262364 /nfs/dbraw/zinc/26/23/64/850262364.db2.gz DYYFNKOGJXLNAT-ZUCKAHLUSA-N 1 3 364.471 0.935 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1)CC2 ZINC001161481113 850263158 /nfs/dbraw/zinc/26/31/58/850263158.db2.gz WIVDASMLCXTUQD-ZAZJYDDPSA-N 1 3 363.380 0.671 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511147 850266034 /nfs/dbraw/zinc/26/60/34/850266034.db2.gz XHIPAELYBNTREY-KKUMJFAQSA-N 1 3 354.495 0.077 20 0 FCADHO CC[NH+](CC)CCNC(=N)Nc1ccc(C(=O)OC)c(C(=O)OC)n1 ZINC001163122204 850356323 /nfs/dbraw/zinc/35/63/23/850356323.db2.gz FKKIBKAYUGIGIE-UHFFFAOYSA-N 1 3 351.407 0.933 20 0 FCADHO C[C@@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)CCO1 ZINC001168124545 850573183 /nfs/dbraw/zinc/57/31/83/850573183.db2.gz XGZDWSCGJJITSX-IAGOWNOFSA-N 1 3 352.523 0.724 20 0 FCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)COc1ncc(Br)cn1 ZINC001177583007 850855951 /nfs/dbraw/zinc/85/59/51/850855951.db2.gz CVSYQNTZPVHOAT-UHFFFAOYSA-N 1 3 373.255 0.682 20 0 FCADHO CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@H]3CCCN(C)C3)CC2)CC1 ZINC001179014444 850945798 /nfs/dbraw/zinc/94/57/98/850945798.db2.gz IQBJNRASHVKULH-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCC(O)(C(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CC1 ZINC001182034268 851147625 /nfs/dbraw/zinc/14/76/25/851147625.db2.gz SYPGMFHUHFWIMT-UHFFFAOYSA-N 1 3 355.479 0.541 20 0 FCADHO CSCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001278426146 862323632 /nfs/dbraw/zinc/32/36/32/862323632.db2.gz KIBULSPYEHGYGQ-HUUCEWRRSA-N 1 3 368.547 0.340 20 0 FCADHO CCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001278430963 862325873 /nfs/dbraw/zinc/32/58/73/862325873.db2.gz PXFFOESQUCZNOL-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCCC1 ZINC001195677229 852811577 /nfs/dbraw/zinc/81/15/77/852811577.db2.gz OQRQCNWHUVQVKD-ZACQAIPSSA-N 1 3 353.507 0.695 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207653065 853835134 /nfs/dbraw/zinc/83/51/34/853835134.db2.gz WIIZFSSBRPYHIS-OIISXLGYSA-N 1 3 356.511 0.162 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001208070242 853890541 /nfs/dbraw/zinc/89/05/41/853890541.db2.gz HFHRPWDBOVTCOL-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001208070242 853890545 /nfs/dbraw/zinc/89/05/45/853890545.db2.gz HFHRPWDBOVTCOL-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001210486209 854114644 /nfs/dbraw/zinc/11/46/44/854114644.db2.gz OUECUXKXFOLDLL-NVXWUHKLSA-N 1 3 356.511 0.308 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001210486209 854114646 /nfs/dbraw/zinc/11/46/46/854114646.db2.gz OUECUXKXFOLDLL-NVXWUHKLSA-N 1 3 356.511 0.308 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353260 854448272 /nfs/dbraw/zinc/44/82/72/854448272.db2.gz NUMDVWGAMLOCPR-BRWVUGGUSA-N 1 3 359.486 0.908 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353260 854448276 /nfs/dbraw/zinc/44/82/76/854448276.db2.gz NUMDVWGAMLOCPR-BRWVUGGUSA-N 1 3 359.486 0.908 20 0 FCADHO CO[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346539 854583669 /nfs/dbraw/zinc/58/36/69/854583669.db2.gz RLAZWIPGQHCONB-BRWVUGGUSA-N 1 3 357.495 0.339 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCC1 ZINC001213730551 854740843 /nfs/dbraw/zinc/74/08/43/854740843.db2.gz QOBYIMAOEPEJMO-BRWVUGGUSA-N 1 3 357.495 0.195 20 0 FCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646847 854986052 /nfs/dbraw/zinc/98/60/52/854986052.db2.gz ZFYKXNQISFTEKD-HYVNUMGLSA-N 1 3 350.507 0.632 20 0 FCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648721 854987174 /nfs/dbraw/zinc/98/71/74/854987174.db2.gz VBUYUIMORNQOGX-HYVNUMGLSA-N 1 3 350.507 0.537 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C)C1CC1 ZINC001214855897 855023033 /nfs/dbraw/zinc/02/30/33/855023033.db2.gz QWTMHUNQOPHKGL-MZMPZRCHSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214855605 855023434 /nfs/dbraw/zinc/02/34/34/855023434.db2.gz HXVZISMSEMLCGI-FVQBIDKESA-N 1 3 371.547 0.588 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855799 855023757 /nfs/dbraw/zinc/02/37/57/855023757.db2.gz OCHPPNBCXBJMQV-OIISXLGYSA-N 1 3 350.507 0.966 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855799 855023762 /nfs/dbraw/zinc/02/37/62/855023762.db2.gz OCHPPNBCXBJMQV-OIISXLGYSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001214990486 855048224 /nfs/dbraw/zinc/04/82/24/855048224.db2.gz RZBMRWZPCGBCSH-ZIAGYGMSSA-N 1 3 352.479 0.302 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001214997561 855049787 /nfs/dbraw/zinc/04/97/87/855049787.db2.gz JOUFEQANBKDOSI-QLFBSQMISA-N 1 3 359.536 0.588 20 0 FCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057140 855060333 /nfs/dbraw/zinc/06/03/33/855060333.db2.gz YKXXAEJHIAODMZ-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215388484 855107390 /nfs/dbraw/zinc/10/73/90/855107390.db2.gz FWNPWICQBMLSDM-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215388484 855107393 /nfs/dbraw/zinc/10/73/93/855107393.db2.gz FWNPWICQBMLSDM-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001215416260 855112385 /nfs/dbraw/zinc/11/23/85/855112385.db2.gz RSUNVEOBFRKDQK-HUUCEWRRSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421276 855113194 /nfs/dbraw/zinc/11/31/94/855113194.db2.gz AEEQMDSYVDPROI-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)Cc1ccco1 ZINC001215458876 855117194 /nfs/dbraw/zinc/11/71/94/855117194.db2.gz NXMLQUYYFRLKQH-GDBMZVCRSA-N 1 3 350.463 0.626 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001215476418 855119546 /nfs/dbraw/zinc/11/95/46/855119546.db2.gz IKWCUEFUIMOBTR-YRGRVCCFSA-N 1 3 366.428 0.688 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539885 855126102 /nfs/dbraw/zinc/12/61/02/855126102.db2.gz BNHFIZCUMJGLKO-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215536087 855126664 /nfs/dbraw/zinc/12/66/64/855126664.db2.gz HQXVPWCDYQQCDY-JHJVBQTASA-N 1 3 364.412 0.586 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001216099236 855169505 /nfs/dbraw/zinc/16/95/05/855169505.db2.gz LGFMDZLNVBJTQI-IJEWVQPXSA-N 1 3 354.495 0.010 20 0 FCADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401570 855199309 /nfs/dbraw/zinc/19/93/09/855199309.db2.gz MSBQUGLDIOAGGR-UKRRQHHQSA-N 1 3 352.483 0.121 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216838733 855254311 /nfs/dbraw/zinc/25/43/11/855254311.db2.gz DBXYYOGOPIIEQW-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216852108 855259659 /nfs/dbraw/zinc/25/96/59/855259659.db2.gz PAMCQNMXBFMPCQ-HUUCEWRRSA-N 1 3 362.540 0.045 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001216852395 855260650 /nfs/dbraw/zinc/26/06/50/855260650.db2.gz XVLGSXSIEBAZDU-BZUAXINKSA-N 1 3 359.536 0.588 20 0 FCADHO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853880 855260802 /nfs/dbraw/zinc/26/08/02/855260802.db2.gz NUOMEZCGSKDNGW-BZUAXINKSA-N 1 3 356.511 0.304 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217950324 855384865 /nfs/dbraw/zinc/38/48/65/855384865.db2.gz YROJHOFDACJRSV-UWVGGRQHSA-N 1 3 356.398 0.230 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218113661 855398381 /nfs/dbraw/zinc/39/83/81/855398381.db2.gz CLZVQPOFOSOLGH-DYZYQPBXSA-N 1 3 350.419 0.282 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001218290584 855412341 /nfs/dbraw/zinc/41/23/41/855412341.db2.gz AHORWWGHCMSKIN-NSHDSACASA-N 1 3 352.435 0.622 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001218290584 855412343 /nfs/dbraw/zinc/41/23/43/855412343.db2.gz AHORWWGHCMSKIN-NSHDSACASA-N 1 3 352.435 0.622 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001218290582 855412372 /nfs/dbraw/zinc/41/23/72/855412372.db2.gz AHORWWGHCMSKIN-LLVKDONJSA-N 1 3 352.435 0.622 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001218290582 855412375 /nfs/dbraw/zinc/41/23/75/855412375.db2.gz AHORWWGHCMSKIN-LLVKDONJSA-N 1 3 352.435 0.622 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533618 855435589 /nfs/dbraw/zinc/43/55/89/855435589.db2.gz QFFXPVIXFKIORZ-AXFHLTTASA-N 1 3 353.492 0.776 20 0 FCADHO CN(C)c1ccncc1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218563948 855440300 /nfs/dbraw/zinc/44/03/00/855440300.db2.gz VBPDJBCWJWMIFV-GFCCVEGCSA-N 1 3 352.460 0.501 20 0 FCADHO Nc1cc(Cl)cnc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218628270 855452817 /nfs/dbraw/zinc/45/28/17/855452817.db2.gz FSXBEJAQZFXAGM-AAEUAGOBSA-N 1 3 368.869 0.703 20 0 FCADHO COC(=O)c1nc(Br)sc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218779233 855478335 /nfs/dbraw/zinc/47/83/35/855478335.db2.gz WYGXEOGXXFESIQ-YFKPBYRVSA-N 1 3 351.226 0.697 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218913626 855494591 /nfs/dbraw/zinc/49/45/91/855494591.db2.gz NOTJZQVAHWVQKM-ZDUSSCGKSA-N 1 3 357.480 0.350 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567573 855717953 /nfs/dbraw/zinc/71/79/53/855717953.db2.gz PBKAAPFIGNCJKK-QGZVFWFLSA-N 1 3 350.463 0.080 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589419 855724530 /nfs/dbraw/zinc/72/45/30/855724530.db2.gz OHGQFMURPRIDDD-YTFOTSKYSA-N 1 3 358.552 0.854 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732173 855789919 /nfs/dbraw/zinc/78/99/19/855789919.db2.gz PKIKIYLWVPTUIG-ZACQAIPSSA-N 1 3 359.486 0.644 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219732173 855789927 /nfs/dbraw/zinc/78/99/27/855789927.db2.gz PKIKIYLWVPTUIG-ZACQAIPSSA-N 1 3 359.486 0.644 20 0 FCADHO N[C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccc(Br)cc1 ZINC001219764752 855803090 /nfs/dbraw/zinc/80/30/90/855803090.db2.gz KZRYKRJNESLIRJ-UGFHNGPFSA-N 1 3 367.291 0.859 20 0 FCADHO N[C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccc(Br)cc1 ZINC001219764752 855803095 /nfs/dbraw/zinc/80/30/95/855803095.db2.gz KZRYKRJNESLIRJ-UGFHNGPFSA-N 1 3 367.291 0.859 20 0 FCADHO N[C@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccc(Br)cc1 ZINC001219764752 855803098 /nfs/dbraw/zinc/80/30/98/855803098.db2.gz KZRYKRJNESLIRJ-UGFHNGPFSA-N 1 3 367.291 0.859 20 0 FCADHO CN1C[C@@H](C(=O)N[C@H]2CNCc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823324 855832093 /nfs/dbraw/zinc/83/20/93/855832093.db2.gz PFRWZJJPTRXCLQ-KBPBESRZSA-N 1 3 350.488 0.461 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311112 856058640 /nfs/dbraw/zinc/05/86/40/856058640.db2.gz KQGDYZYFYPJKOU-LBPRGKRZSA-N 1 3 351.451 0.312 20 0 FCADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001220517296 856163635 /nfs/dbraw/zinc/16/36/35/856163635.db2.gz FSUHGLOAZJODIA-HNNXBMFYSA-N 1 3 350.463 0.208 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001220624139 856210497 /nfs/dbraw/zinc/21/04/97/856210497.db2.gz FOBCUQVLYGRDQG-NWDGAFQWSA-N 1 3 351.394 0.874 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001220768636 856291326 /nfs/dbraw/zinc/29/13/26/856291326.db2.gz WFPDWQDHAKWESR-ZNMIVQPWSA-N 1 3 363.449 0.551 20 0 FCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898278 856363180 /nfs/dbraw/zinc/36/31/80/856363180.db2.gz DPDCDORMUSJMEM-RDJZCZTQSA-N 1 3 350.507 0.968 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982994 856405305 /nfs/dbraw/zinc/40/53/05/856405305.db2.gz VBWUQCBGLASTFF-CQSZACIVSA-N 1 3 351.426 0.378 20 0 FCADHO COc1ccnc(C2(CNC(=O)[C@@H](N)CCCC[NH3+])CCOCC2)c1 ZINC001220990213 856410057 /nfs/dbraw/zinc/41/00/57/856410057.db2.gz CQNFJICWQNWDJD-HNNXBMFYSA-N 1 3 350.463 0.711 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001221081398 856452750 /nfs/dbraw/zinc/45/27/50/856452750.db2.gz JSWDCJTZGWJSMT-FGTMMUONSA-N 1 3 353.507 0.839 20 0 FCADHO COc1cccc(C2([NH3+])CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2)c1 ZINC001221091819 856459247 /nfs/dbraw/zinc/45/92/47/856459247.db2.gz GCWBCWKCNQBXMX-OWJWWREXSA-N 1 3 353.488 0.568 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1csc(N2CC[NH2+]CC2)n1 ZINC001221399784 856558416 /nfs/dbraw/zinc/55/84/16/856558416.db2.gz UGZMRHNPHNJVGK-HNNXBMFYSA-N 1 3 357.483 0.997 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642650 856636045 /nfs/dbraw/zinc/63/60/45/856636045.db2.gz BXQYDMNJTUGIGV-IXDOHACOSA-N 1 3 351.491 0.402 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026878 856776244 /nfs/dbraw/zinc/77/62/44/856776244.db2.gz CMDRGVFMVASGAH-FGTMMUONSA-N 1 3 353.507 0.793 20 0 FCADHO COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C[C@@H]21 ZINC001223505619 856922241 /nfs/dbraw/zinc/92/22/41/856922241.db2.gz KUQBBLAVYYUICN-KSZLIROESA-N 1 3 353.507 0.914 20 0 FCADHO COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C[C@@H]21 ZINC001223505619 856922245 /nfs/dbraw/zinc/92/22/45/856922245.db2.gz KUQBBLAVYYUICN-KSZLIROESA-N 1 3 353.507 0.914 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001227150562 857146529 /nfs/dbraw/zinc/14/65/29/857146529.db2.gz UGWVTEZJCGMUCE-HUUCEWRRSA-N 1 3 353.511 0.759 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284383 857322645 /nfs/dbraw/zinc/32/26/45/857322645.db2.gz BIKJMTFBNJYVKN-HZPDHXFCSA-N 1 3 356.511 0.496 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2nsnc2c1 ZINC001238239028 857464990 /nfs/dbraw/zinc/46/49/90/857464990.db2.gz BHNHUTPUQSGNJB-NSHDSACASA-N 1 3 367.500 0.844 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2nsnc2c1 ZINC001238239028 857464997 /nfs/dbraw/zinc/46/49/97/857464997.db2.gz BHNHUTPUQSGNJB-NSHDSACASA-N 1 3 367.500 0.844 20 0 FCADHO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238240365 857465437 /nfs/dbraw/zinc/46/54/37/857465437.db2.gz HRWOXZOXFCDEPY-AWEZNQCLSA-N 1 3 367.471 0.626 20 0 FCADHO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238240365 857465439 /nfs/dbraw/zinc/46/54/39/857465439.db2.gz HRWOXZOXFCDEPY-AWEZNQCLSA-N 1 3 367.471 0.626 20 0 FCADHO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCC4(CCNCC4)[NH2+]3)cc2o1 ZINC001238243743 857466080 /nfs/dbraw/zinc/46/60/80/857466080.db2.gz VYNYPIORNXBNHE-LLVKDONJSA-N 1 3 366.443 0.686 20 0 FCADHO COCCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001245977382 857561846 /nfs/dbraw/zinc/56/18/46/857561846.db2.gz VWKPDPSACHXLJQ-RYQLBKOJSA-N 1 3 356.438 0.267 20 0 FCADHO COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CCCC[C@@]34CNCCO4)C[C@H](C1)N2 ZINC001246158674 857569979 /nfs/dbraw/zinc/56/99/79/857569979.db2.gz GTQDCISTMUMBDN-MJZCMUOFSA-N 1 3 351.491 0.949 20 0 FCADHO CCC(CC)[C@@H]([NH2+][C@@H]1CCNC(=O)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246416636 857577084 /nfs/dbraw/zinc/57/70/84/857577084.db2.gz SKAZLEAZVKGBJO-CHBVHBROSA-N 1 3 355.479 0.157 20 0 FCADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)N1C(=O)CCC1=O ZINC001251552016 857730100 /nfs/dbraw/zinc/73/01/00/857730100.db2.gz ZHXMJSHXMCGHPR-ZDUSSCGKSA-N 1 3 350.463 0.199 20 0 FCADHO CCN(CC)C[C@H](O)C[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001253209380 857873351 /nfs/dbraw/zinc/87/33/51/857873351.db2.gz BDUOTYRDZOPLTI-KGLIPLIRSA-N 1 3 361.483 0.735 20 0 FCADHO CCN(CCN[C@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451132 859533273 /nfs/dbraw/zinc/53/32/73/859533273.db2.gz DVAUTDFUAHELAG-JHJVBQTASA-N 1 3 366.428 0.832 20 0 FCADHO CCN(CCN[C@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451132 859533281 /nfs/dbraw/zinc/53/32/81/859533281.db2.gz DVAUTDFUAHELAG-JHJVBQTASA-N 1 3 366.428 0.832 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001270155043 859668644 /nfs/dbraw/zinc/66/86/44/859668644.db2.gz DIOAUNMMWUDQIE-LPHOPBHVSA-N 1 3 350.507 0.873 20 0 FCADHO CCN(CC)CC(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001270357261 859732162 /nfs/dbraw/zinc/73/21/62/859732162.db2.gz BAVBFHJMJSQAOM-SFHVURJKSA-N 1 3 352.479 0.258 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651464 859984797 /nfs/dbraw/zinc/98/47/97/859984797.db2.gz UIRFALRQMFVOAR-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651464 859984802 /nfs/dbraw/zinc/98/48/02/859984802.db2.gz UIRFALRQMFVOAR-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN2C(=O)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001271658690 859988371 /nfs/dbraw/zinc/98/83/71/859988371.db2.gz TZPVTWBFJPVMPD-LPHOPBHVSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCCN2C(=O)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658690 859988378 /nfs/dbraw/zinc/98/83/78/859988378.db2.gz TZPVTWBFJPVMPD-LPHOPBHVSA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1)N(C)C ZINC001282304223 864179514 /nfs/dbraw/zinc/17/95/14/864179514.db2.gz IAQDNRYETHTFCB-IKGGRYGDSA-N 1 3 352.523 0.975 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(=O)NC ZINC001316706206 867414013 /nfs/dbraw/zinc/41/40/13/867414013.db2.gz NMRWYAKJBNXHTD-KGLIPLIRSA-N 1 3 355.483 0.001 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(=O)NC ZINC001316706206 867414022 /nfs/dbraw/zinc/41/40/22/867414022.db2.gz NMRWYAKJBNXHTD-KGLIPLIRSA-N 1 3 355.483 0.001 20 0 FCADHO CCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001327816475 871096578 /nfs/dbraw/zinc/09/65/78/871096578.db2.gz TVJMVFMOCFBXAW-OAHLLOKOSA-N 1 3 360.524 0.118 20 0 FCADHO C[NH+](C)C1CCN(C(=O)Cc2noc(C[C@@H]3CSCCN3)n2)CC1 ZINC001328411807 871415842 /nfs/dbraw/zinc/41/58/42/871415842.db2.gz AMXDEFNEVSTUFM-GFCCVEGCSA-N 1 3 353.492 0.412 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001346696764 871962421 /nfs/dbraw/zinc/96/24/21/871962421.db2.gz UYPKVDAYROPFRB-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001346696764 871962429 /nfs/dbraw/zinc/96/24/29/871962429.db2.gz UYPKVDAYROPFRB-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO CN(C)C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704048 871966743 /nfs/dbraw/zinc/96/67/43/871966743.db2.gz WQKFNBBDQCIPMV-JKSUJKDBSA-N 1 3 350.438 0.803 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001348128461 872604514 /nfs/dbraw/zinc/60/45/14/872604514.db2.gz ODNBFKDBCGFWKE-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001348128461 872604524 /nfs/dbraw/zinc/60/45/24/872604524.db2.gz ODNBFKDBCGFWKE-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC001331375629 873082272 /nfs/dbraw/zinc/08/22/72/873082272.db2.gz QIRHBASHQCTMBP-OAHLLOKOSA-N 1 3 352.479 0.087 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001331834419 873266195 /nfs/dbraw/zinc/26/61/95/873266195.db2.gz UESDZJXAGAJNQD-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC001331970469 873318865 /nfs/dbraw/zinc/31/88/65/873318865.db2.gz ULFHIDOPIYZKKN-XIRDDKMYSA-N 1 3 367.515 0.775 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106841 951907642 /nfs/dbraw/zinc/90/76/42/951907642.db2.gz VJAVIAIEMTXCNI-CZUORRHYSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106841 951907648 /nfs/dbraw/zinc/90/76/48/951907648.db2.gz VJAVIAIEMTXCNI-CZUORRHYSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106841 951907657 /nfs/dbraw/zinc/90/76/57/951907657.db2.gz VJAVIAIEMTXCNI-CZUORRHYSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106841 951907665 /nfs/dbraw/zinc/90/76/65/951907665.db2.gz VJAVIAIEMTXCNI-CZUORRHYSA-N 1 3 357.462 0.660 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000293128768 214147265 /nfs/dbraw/zinc/14/72/65/214147265.db2.gz IRCNCLWQEUSAAI-CQSZACIVSA-N 1 3 364.494 0.792 20 0 FCADHO CNC(=O)N[C@H]1CCN(CCC(C)CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541066 529890148 /nfs/dbraw/zinc/89/01/48/529890148.db2.gz HGCYLYCFWVHWCJ-HOTGVXAUSA-N 1 3 368.526 0.409 20 0 FCADHO CNC(=O)N[C@H]1CCN(CCC(C)CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541066 529890150 /nfs/dbraw/zinc/89/01/50/529890150.db2.gz HGCYLYCFWVHWCJ-HOTGVXAUSA-N 1 3 368.526 0.409 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951733 530064991 /nfs/dbraw/zinc/06/49/91/530064991.db2.gz GDHJMVCSPXIKRI-ZWOKBUDYSA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951733 530064992 /nfs/dbraw/zinc/06/49/92/530064992.db2.gz GDHJMVCSPXIKRI-ZWOKBUDYSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331466917 215001025 /nfs/dbraw/zinc/00/10/25/215001025.db2.gz VKKBATPNCCWSRO-HMDCTGQHSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331572049 215017575 /nfs/dbraw/zinc/01/75/75/215017575.db2.gz LQFOVSTVXSTWNJ-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331572049 215017577 /nfs/dbraw/zinc/01/75/77/215017577.db2.gz LQFOVSTVXSTWNJ-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331566857 215015853 /nfs/dbraw/zinc/01/58/53/215015853.db2.gz LAGHIUMBAFRHFW-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000331566857 215015854 /nfs/dbraw/zinc/01/58/54/215015854.db2.gz LAGHIUMBAFRHFW-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000331841842 215055770 /nfs/dbraw/zinc/05/57/70/215055770.db2.gz BQDTUPCKHIEJBZ-IXDOHACOSA-N 1 3 366.506 0.033 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000264991063 210033742 /nfs/dbraw/zinc/03/37/42/210033742.db2.gz BPMVBDQEZSDYSI-ZWKOTPCHSA-N 1 3 358.486 0.787 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCN1C ZINC000332386483 215142848 /nfs/dbraw/zinc/14/28/48/215142848.db2.gz YCRMOUDDSDTLFF-HYVNUMGLSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332592761 215186663 /nfs/dbraw/zinc/18/66/63/215186663.db2.gz MIXMSDYVRRBAQT-WBVHZDCISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333126852 215239864 /nfs/dbraw/zinc/23/98/64/215239864.db2.gz VWOVZQZLTZAJQM-CZUORRHYSA-N 1 3 351.495 0.511 20 0 FCADHO C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333126855 215239886 /nfs/dbraw/zinc/23/98/86/215239886.db2.gz VWOVZQZLTZAJQM-XJKSGUPXSA-N 1 3 351.495 0.511 20 0 FCADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000333319067 215263563 /nfs/dbraw/zinc/26/35/63/215263563.db2.gz MSRSMTCWTLIYPD-MRXNPFEDSA-N 1 3 359.478 0.978 20 0 FCADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333279522 215258799 /nfs/dbraw/zinc/25/87/99/215258799.db2.gz HIYJZYLFBVUSEY-GDBMZVCRSA-N 1 3 359.478 0.977 20 0 FCADHO CC[C@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333499509 215289987 /nfs/dbraw/zinc/28/99/87/215289987.db2.gz FGWCXZMHCSFPBZ-ABHNRTSZSA-N 1 3 367.538 0.301 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333945492 215333740 /nfs/dbraw/zinc/33/37/40/215333740.db2.gz SXLRMVJYKSYUTM-ARFHVFGLSA-N 1 3 351.495 0.370 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000360572506 215364891 /nfs/dbraw/zinc/36/48/91/215364891.db2.gz LWXHLKGFXNYGIH-HUUCEWRRSA-N 1 3 367.494 0.927 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284182838 213093044 /nfs/dbraw/zinc/09/30/44/213093044.db2.gz RDFACZLULVNBLZ-KSSFIOAISA-N 1 3 358.486 0.963 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000366977620 216058673 /nfs/dbraw/zinc/05/86/73/216058673.db2.gz UVKXSMPNIZNNHZ-UHFFFAOYSA-N 1 3 365.566 0.500 20 0 FCADHO C[C@H]1C[C@H](C)CN(CCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367654267 216147644 /nfs/dbraw/zinc/14/76/44/216147644.db2.gz URNGGSFULFSSLP-GJZGRUSLSA-N 1 3 359.536 0.637 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCCNC3=O)CC2)CC1 ZINC000195342250 209336130 /nfs/dbraw/zinc/33/61/30/209336130.db2.gz YBAVDWQXZULGMT-INIZCTEOSA-N 1 3 351.495 0.513 20 0 FCADHO NC(=O)[C@H]1[C@H]2CCC[C@H]2CN1CCCC[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326866 /nfs/dbraw/zinc/32/68/66/216326866.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@H]1[C@H]2CCC[C@H]2CN1CCCC[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326870 /nfs/dbraw/zinc/32/68/70/216326870.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCCN1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326872 /nfs/dbraw/zinc/32/68/72/216326872.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 1 3 362.518 0.938 20 0 FCADHO NC(=O)[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCCN1C[C@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975682 216326874 /nfs/dbraw/zinc/32/68/74/216326874.db2.gz SATIWXSYMVXFFX-PTZATXGZSA-N 1 3 362.518 0.938 20 0 FCADHO O=C(NCCCN1CCN(c2ccccc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188796629 209239466 /nfs/dbraw/zinc/23/94/66/209239466.db2.gz JVVYNSYTQZVRRU-UHFFFAOYSA-N 1 3 368.485 0.998 20 0 FCADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188747223 209238800 /nfs/dbraw/zinc/23/88/00/209238800.db2.gz DXLGBHWEXFTNCU-UHFFFAOYSA-N 1 3 370.457 0.277 20 0 FCADHO CCOc1cccc(N2CCN(C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414695302 245310098 /nfs/dbraw/zinc/31/00/98/245310098.db2.gz FGWIGQQHAHRALZ-MRXNPFEDSA-N 1 3 361.490 0.800 20 0 FCADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCCCN1CC[NH2+]CC1 ZINC000414778276 245322571 /nfs/dbraw/zinc/32/25/71/245322571.db2.gz HVYADZVSVJUJJN-UHFFFAOYSA-N 1 3 351.495 0.836 20 0 FCADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000414851456 245325444 /nfs/dbraw/zinc/32/54/44/245325444.db2.gz JKJXJPSIRJHLLQ-WMLDXEAASA-N 1 3 362.474 0.854 20 0 FCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCNCC3)cc2)CC1 ZINC000415287855 245380672 /nfs/dbraw/zinc/38/06/72/245380672.db2.gz YQNFPBBRRMDMPN-UHFFFAOYSA-N 1 3 359.474 0.194 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000184063816 209156819 /nfs/dbraw/zinc/15/68/19/209156819.db2.gz DVTRVIDDFSDNAE-INIZCTEOSA-N 1 3 363.506 0.778 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1=O ZINC000374918553 217189322 /nfs/dbraw/zinc/18/93/22/217189322.db2.gz SJNCZQOETVMBIZ-MLHJIOFPSA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1=O ZINC000374918553 217189329 /nfs/dbraw/zinc/18/93/29/217189329.db2.gz SJNCZQOETVMBIZ-MLHJIOFPSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(CNC(=O)[C@@H]2CCC[C@H]2C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000416307432 245561317 /nfs/dbraw/zinc/56/13/17/245561317.db2.gz KYVDACXATNVBMR-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376420615 217398156 /nfs/dbraw/zinc/39/81/56/217398156.db2.gz LQZHWQLVWGYSKX-UHFFFAOYSA-N 1 3 363.510 0.252 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419156527 246022330 /nfs/dbraw/zinc/02/23/30/246022330.db2.gz VJTUCVXGZOLYEP-CZUORRHYSA-N 1 3 364.515 0.930 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419131213 246007170 /nfs/dbraw/zinc/00/71/70/246007170.db2.gz CBPXZAIXWNOLLP-HZPDHXFCSA-N 1 3 362.474 0.629 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](CN)C1 ZINC000419136806 246011700 /nfs/dbraw/zinc/01/17/00/246011700.db2.gz PSNFJTIDLCAIPF-KFWWJZLASA-N 1 3 356.511 0.434 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419144335 246012779 /nfs/dbraw/zinc/01/27/79/246012779.db2.gz GRXIIPUANJIJBN-GJZGRUSLSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCC(C)CC1 ZINC000419143397 246013273 /nfs/dbraw/zinc/01/32/73/246013273.db2.gz DFTHNQCBEHOLEO-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)CC[C@@H]1[NH3+] ZINC000419148157 246017876 /nfs/dbraw/zinc/01/78/76/246017876.db2.gz JUOQZXLVSCQQLY-ZBFHGGJFSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000419162921 246026538 /nfs/dbraw/zinc/02/65/38/246026538.db2.gz VQEOOQRBVRSDOE-QBPKDAKJSA-N 1 3 350.507 0.727 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419173334 246032977 /nfs/dbraw/zinc/03/29/77/246032977.db2.gz SIXGTELMVYRWIU-OAGGEKHMSA-N 1 3 368.522 0.986 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419187690 246041419 /nfs/dbraw/zinc/04/14/19/246041419.db2.gz JMAWFTRUQIOYEO-SFHVURJKSA-N 1 3 358.486 0.944 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419231193 246067306 /nfs/dbraw/zinc/06/73/06/246067306.db2.gz RKBBFDHGVRXPQX-IMJJTQAJSA-N 1 3 366.506 0.596 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000419231193 246067311 /nfs/dbraw/zinc/06/73/11/246067311.db2.gz RKBBFDHGVRXPQX-IMJJTQAJSA-N 1 3 366.506 0.596 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419222309 246062956 /nfs/dbraw/zinc/06/29/56/246062956.db2.gz BMVLPABTBAUPOS-ZTFGCOKTSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419231772 246071364 /nfs/dbraw/zinc/07/13/64/246071364.db2.gz SFOQOORUBSNEGL-XIRDDKMYSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419361639 246118771 /nfs/dbraw/zinc/11/87/71/246118771.db2.gz BDUCTWRRIUQDOI-QAPCUYQASA-N 1 3 372.513 0.645 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419369754 246121076 /nfs/dbraw/zinc/12/10/76/246121076.db2.gz GAHYHLRDIPEQGI-CABCVRRESA-N 1 3 358.486 0.398 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000419377750 246125673 /nfs/dbraw/zinc/12/56/73/246125673.db2.gz UOGNDPPBBUWHPD-GOSISDBHSA-N 1 3 372.513 0.836 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](CN)C1 ZINC000419417008 246149479 /nfs/dbraw/zinc/14/94/79/246149479.db2.gz HOZKSMXENBIDCB-VVLHAWIVSA-N 1 3 368.522 0.435 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](CN)C1 ZINC000419417008 246149487 /nfs/dbraw/zinc/14/94/87/246149487.db2.gz HOZKSMXENBIDCB-VVLHAWIVSA-N 1 3 368.522 0.435 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400998 246135770 /nfs/dbraw/zinc/13/57/70/246135770.db2.gz ABPAGAKGEPRDDG-QKPAOTATSA-N 1 3 368.522 0.700 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400998 246135775 /nfs/dbraw/zinc/13/57/75/246135775.db2.gz ABPAGAKGEPRDDG-QKPAOTATSA-N 1 3 368.522 0.700 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403876 246137271 /nfs/dbraw/zinc/13/72/71/246137271.db2.gz SAOVTMXHIKTXKA-RYQLBKOJSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403876 246137278 /nfs/dbraw/zinc/13/72/78/246137278.db2.gz SAOVTMXHIKTXKA-RYQLBKOJSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419428527 246158585 /nfs/dbraw/zinc/15/85/85/246158585.db2.gz SZXQIGOYYBJERJ-HXUWFJFHSA-N 1 3 358.486 0.748 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419431234 246159507 /nfs/dbraw/zinc/15/95/07/246159507.db2.gz WUCJWHZANGDQTB-AEFFLSMTSA-N 1 3 356.470 0.371 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419433994 246161056 /nfs/dbraw/zinc/16/10/56/246161056.db2.gz ZYTKJFBVBIRPJS-IAGOWNOFSA-N 1 3 360.458 0.044 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000419433963 246161111 /nfs/dbraw/zinc/16/11/11/246161111.db2.gz ZUIVLPBKBWLYDI-KRWDZBQOSA-N 1 3 360.502 0.911 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@H](CN)C1 ZINC000419482739 246178284 /nfs/dbraw/zinc/17/82/84/246178284.db2.gz QPCKUDCALUPNLS-YESZJQIVSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@H](CN)C1 ZINC000419482739 246178287 /nfs/dbraw/zinc/17/82/87/246178287.db2.gz QPCKUDCALUPNLS-YESZJQIVSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@H](CN)C1 ZINC000419482734 246179292 /nfs/dbraw/zinc/17/92/92/246179292.db2.gz QPCKUDCALUPNLS-IXDOHACOSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@H](CN)C1 ZINC000419482734 246179298 /nfs/dbraw/zinc/17/92/98/246179298.db2.gz QPCKUDCALUPNLS-IXDOHACOSA-N 1 3 368.522 0.722 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419586242 246212822 /nfs/dbraw/zinc/21/28/22/246212822.db2.gz MPJWNYFFBADYCL-BFYDXBDKSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419662619 246235099 /nfs/dbraw/zinc/23/50/99/246235099.db2.gz HZMNGHHXDJDCRA-KRWDZBQOSA-N 1 3 359.474 0.625 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](CN)C1 ZINC000419670311 246240082 /nfs/dbraw/zinc/24/00/82/246240082.db2.gz WSUSSNSDUICDQD-HUUCEWRRSA-N 1 3 354.495 0.189 20 0 FCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419681633 246245460 /nfs/dbraw/zinc/24/54/60/246245460.db2.gz IQTDYCZMKCNXED-OAHLLOKOSA-N 1 3 354.495 0.381 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419720528 246270144 /nfs/dbraw/zinc/27/01/44/246270144.db2.gz ICPPYLQCHIJRSP-NRFANRHFSA-N 1 3 370.497 0.979 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702300 246258846 /nfs/dbraw/zinc/25/88/46/246258846.db2.gz AVGCBLGZMVMOAW-QLFBSQMISA-N 1 3 354.495 0.596 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H]1CN ZINC000419709812 246264344 /nfs/dbraw/zinc/26/43/44/246264344.db2.gz KMVJYPVCNXUBGP-YJBOKZPZSA-N 1 3 360.502 0.993 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419786857 246297891 /nfs/dbraw/zinc/29/78/91/246297891.db2.gz ZJDDBOYCOHPHIU-QZTJIDSGSA-N 1 3 358.486 0.881 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CCCC2)CC1 ZINC000419746317 246279747 /nfs/dbraw/zinc/27/97/47/246279747.db2.gz BTFZHEXZGLUMIK-GDBMZVCRSA-N 1 3 366.506 0.332 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000419834970 246312952 /nfs/dbraw/zinc/31/29/52/246312952.db2.gz UPKRTULMHXGMSD-WBVHZDCISA-N 1 3 367.538 0.010 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419854659 246324273 /nfs/dbraw/zinc/32/42/73/246324273.db2.gz VPDUGMTWRQVXSF-UHFFFAOYSA-N 1 3 350.438 0.584 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419859211 246328553 /nfs/dbraw/zinc/32/85/53/246328553.db2.gz JHDTYPSEHHBQNM-JKIFEVAISA-N 1 3 366.506 0.188 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419870267 246337086 /nfs/dbraw/zinc/33/70/86/246337086.db2.gz WVWPZYLEWJYASG-AWEZNQCLSA-N 1 3 352.504 0.754 20 0 FCADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419923005 246371275 /nfs/dbraw/zinc/37/12/75/246371275.db2.gz KPLKUGKZPPRCTP-UHFFFAOYSA-N 1 3 352.504 0.754 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419943389 246380556 /nfs/dbraw/zinc/38/05/56/246380556.db2.gz PQHZSUOWDUJZMK-GFCCVEGCSA-N 1 3 356.417 0.566 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419962990 246390620 /nfs/dbraw/zinc/39/06/20/246390620.db2.gz VTHJYJQWCGJYSZ-OAGGEKHMSA-N 1 3 368.522 0.435 20 0 FCADHO NC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000419967322 246393697 /nfs/dbraw/zinc/39/36/97/246393697.db2.gz NSJVQIIFFNYWCU-DOTOQJQBSA-N 1 3 350.507 0.955 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419979359 246399861 /nfs/dbraw/zinc/39/98/61/246399861.db2.gz PHFDLHUYSAKCBR-HZPDHXFCSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423362393 247010814 /nfs/dbraw/zinc/01/08/14/247010814.db2.gz HPYCVITZZLAONI-KGLIPLIRSA-N 1 3 352.504 0.834 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573309 247058195 /nfs/dbraw/zinc/05/81/95/247058195.db2.gz WBRGPNDVJSABML-ROUUACIJSA-N 1 3 358.486 0.917 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573309 247058200 /nfs/dbraw/zinc/05/82/00/247058200.db2.gz WBRGPNDVJSABML-ROUUACIJSA-N 1 3 358.486 0.917 20 0 FCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423496903 247038561 /nfs/dbraw/zinc/03/85/61/247038561.db2.gz FUBDMSVYUDQTNJ-ZOBUZTSGSA-N 1 3 366.506 0.284 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423612284 247074561 /nfs/dbraw/zinc/07/45/61/247074561.db2.gz PBPRIEZEMBMJIG-UHFFFAOYSA-N 1 3 350.507 0.923 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645532 247091070 /nfs/dbraw/zinc/09/10/70/247091070.db2.gz KUUDUMIVVHFIRE-QRVBRYPASA-N 1 3 370.497 0.917 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645532 247091073 /nfs/dbraw/zinc/09/10/73/247091073.db2.gz KUUDUMIVVHFIRE-QRVBRYPASA-N 1 3 370.497 0.917 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423653343 247094716 /nfs/dbraw/zinc/09/47/16/247094716.db2.gz OTFVLNUNIHWNKF-HUUCEWRRSA-N 1 3 350.463 0.756 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423653341 247095314 /nfs/dbraw/zinc/09/53/14/247095314.db2.gz OTFVLNUNIHWNKF-GJZGRUSLSA-N 1 3 350.463 0.756 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccco1 ZINC000423723304 247126224 /nfs/dbraw/zinc/12/62/24/247126224.db2.gz HCXUDBNAFWPOCR-JKSUJKDBSA-N 1 3 362.474 0.628 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725774 247128337 /nfs/dbraw/zinc/12/83/37/247128337.db2.gz SVKCDDYXORBNJX-KBAYOESNSA-N 1 3 358.486 0.773 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725774 247128339 /nfs/dbraw/zinc/12/83/39/247128339.db2.gz SVKCDDYXORBNJX-KBAYOESNSA-N 1 3 358.486 0.773 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@H]1CN ZINC000423728538 247128552 /nfs/dbraw/zinc/12/85/52/247128552.db2.gz JVDDJEKGUADFLJ-RDJZCZTQSA-N 1 3 368.522 0.532 20 0 FCADHO [NH3+]C1(CNC(=O)CNC[C@H]2CCCO2)CCN(Cc2ccccc2)CC1 ZINC000424036936 247161658 /nfs/dbraw/zinc/16/16/58/247161658.db2.gz IFVJZOQEDLNJNR-GOSISDBHSA-N 1 3 360.502 0.865 20 0 FCADHO CN(CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1)Cc1ccccc1 ZINC000424141238 247171267 /nfs/dbraw/zinc/17/12/67/247171267.db2.gz GZPOCCUYTMVNHW-MSOLQXFVSA-N 1 3 358.486 0.820 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424491468 247238090 /nfs/dbraw/zinc/23/80/90/247238090.db2.gz DKVYUPCNNOEONY-OQIJWPOYSA-N 1 3 370.497 0.915 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@H]1C ZINC000425396796 247335354 /nfs/dbraw/zinc/33/53/54/247335354.db2.gz ZHYSHNSHOQTOBG-YYIAUSFCSA-N 1 3 350.507 0.870 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@H]1C ZINC000425396796 247335356 /nfs/dbraw/zinc/33/53/56/247335356.db2.gz ZHYSHNSHOQTOBG-YYIAUSFCSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576768 247709608 /nfs/dbraw/zinc/70/96/08/247709608.db2.gz XOGLKEBPEHFTDP-STQMWFEESA-N 1 3 354.476 0.722 20 0 FCADHO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000441180163 248240366 /nfs/dbraw/zinc/24/03/66/248240366.db2.gz MGMUEZKFNYUZBN-CZUORRHYSA-N 1 3 351.495 0.369 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)O1 ZINC000443650874 248334940 /nfs/dbraw/zinc/33/49/40/248334940.db2.gz INFBPVWDLKJABQ-BBWFWOEESA-N 1 3 368.522 0.402 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000442610219 248293017 /nfs/dbraw/zinc/29/30/17/248293017.db2.gz NLQGUONPDWVXFO-QGZVFWFLSA-N 1 3 369.554 0.404 20 0 FCADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000444357149 248355954 /nfs/dbraw/zinc/35/59/54/248355954.db2.gz MYVSJHFZSMONQW-OAHLLOKOSA-N 1 3 364.490 0.939 20 0 FCADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000444357149 248355955 /nfs/dbraw/zinc/35/59/55/248355955.db2.gz MYVSJHFZSMONQW-OAHLLOKOSA-N 1 3 364.490 0.939 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000445867422 248378113 /nfs/dbraw/zinc/37/81/13/248378113.db2.gz VSHJVHBKVRFSKN-UHFFFAOYSA-N 1 3 351.495 0.420 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452982234 249339143 /nfs/dbraw/zinc/33/91/43/249339143.db2.gz XYMBDXBFXUBGED-GVLSGGHMSA-N 1 3 362.518 0.584 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H](C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452982234 249339147 /nfs/dbraw/zinc/33/91/47/249339147.db2.gz XYMBDXBFXUBGED-GVLSGGHMSA-N 1 3 362.518 0.584 20 0 FCADHO C[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452982236 249340440 /nfs/dbraw/zinc/34/04/40/249340440.db2.gz XYMBDXBFXUBGED-UXJCHEOYSA-N 1 3 362.518 0.584 20 0 FCADHO C[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H](C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452982236 249340446 /nfs/dbraw/zinc/34/04/46/249340446.db2.gz XYMBDXBFXUBGED-UXJCHEOYSA-N 1 3 362.518 0.584 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)c2ccoc2CC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000270817306 211275662 /nfs/dbraw/zinc/27/56/62/211275662.db2.gz NJPFBIQDJWBSSG-LSDHHAIUSA-N 1 3 362.474 0.761 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)Cc2occc2C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000270817306 211275664 /nfs/dbraw/zinc/27/56/64/211275664.db2.gz NJPFBIQDJWBSSG-LSDHHAIUSA-N 1 3 362.474 0.761 20 0 FCADHO CN1CCC(NC(=O)CCSCCC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000471397066 250099720 /nfs/dbraw/zinc/09/97/20/250099720.db2.gz SMQCRLBBUTUUPE-UHFFFAOYSA-N 1 3 370.563 0.921 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932482 250256733 /nfs/dbraw/zinc/25/67/33/250256733.db2.gz MHLWINCUBQMRAL-LSDHHAIUSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932482 250256738 /nfs/dbraw/zinc/25/67/38/250256738.db2.gz MHLWINCUBQMRAL-LSDHHAIUSA-N 1 3 351.499 0.934 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943512 250299122 /nfs/dbraw/zinc/29/91/22/250299122.db2.gz XSTPXJRPUNDFSO-IXDOHACOSA-N 1 3 370.538 0.506 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480943512 250299124 /nfs/dbraw/zinc/29/91/24/250299124.db2.gz XSTPXJRPUNDFSO-IXDOHACOSA-N 1 3 370.538 0.506 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1=O ZINC000481997172 250373326 /nfs/dbraw/zinc/37/33/26/250373326.db2.gz DONTWVJBPVBFLT-MRXNPFEDSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)N(C)C2CC2)CC1=O ZINC000105328447 208199258 /nfs/dbraw/zinc/19/92/58/208199258.db2.gz WNABXEBMODNAIL-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)N(C)C2CC2)CC1=O ZINC000105328447 208199267 /nfs/dbraw/zinc/19/92/67/208199267.db2.gz WNABXEBMODNAIL-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000177468294 209026048 /nfs/dbraw/zinc/02/60/48/209026048.db2.gz MAXKCJHDRFSGLC-OAHLLOKOSA-N 1 3 363.506 0.608 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1=O ZINC000178811954 209061408 /nfs/dbraw/zinc/06/14/08/209061408.db2.gz PDJKOFIUYNEARI-DJIMGWMZSA-N 1 3 350.507 0.905 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410497132 230103722 /nfs/dbraw/zinc/10/37/22/230103722.db2.gz IKGVANUUOTYHOS-KRWDZBQOSA-N 1 3 368.522 0.213 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000410503307 230109291 /nfs/dbraw/zinc/10/92/91/230109291.db2.gz MOJJAYYXTNUHKO-INIZCTEOSA-N 1 3 356.511 0.356 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410503307 230109293 /nfs/dbraw/zinc/10/92/93/230109293.db2.gz MOJJAYYXTNUHKO-INIZCTEOSA-N 1 3 356.511 0.356 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCC1 ZINC000410956768 230325769 /nfs/dbraw/zinc/32/57/69/230325769.db2.gz ZKFQNWQPEUJCTQ-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCC1 ZINC000410956768 230325772 /nfs/dbraw/zinc/32/57/72/230325772.db2.gz ZKFQNWQPEUJCTQ-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000933849251 674276595 /nfs/dbraw/zinc/27/65/95/674276595.db2.gz GPCLXWJXSJEUNV-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000475441703 484100289 /nfs/dbraw/zinc/10/02/89/484100289.db2.gz ADDCYEIINZKRIB-UHFFFAOYSA-N 1 3 350.467 0.374 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC000475441703 484100296 /nfs/dbraw/zinc/10/02/96/484100296.db2.gz ADDCYEIINZKRIB-UHFFFAOYSA-N 1 3 350.467 0.374 20 0 FCADHO [NH3+]C[C@H]1CCCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000562795852 491189943 /nfs/dbraw/zinc/18/99/43/491189943.db2.gz CGJXVOJYDDCOFQ-QGZVFWFLSA-N 1 3 360.506 0.974 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc(-n4cncn4)c3)CC2)CC1 ZINC000050797331 488114155 /nfs/dbraw/zinc/11/41/55/488114155.db2.gz VNEZRCCPOLFGFA-UHFFFAOYSA-N 1 3 369.473 0.951 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCN(C(N)=O)C3)CC2)CC1 ZINC000050800638 488115485 /nfs/dbraw/zinc/11/54/85/488115485.db2.gz TVDVBYVECZDUKT-AWEZNQCLSA-N 1 3 351.495 0.452 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)NC(C)(C)C)CC2)CC1 ZINC000051759295 488142895 /nfs/dbraw/zinc/14/28/95/488142895.db2.gz GMGCWXXXEARPEC-UHFFFAOYSA-N 1 3 353.511 0.759 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000569810239 491193815 /nfs/dbraw/zinc/19/38/15/491193815.db2.gz HYQPURDMZSWTEW-ZNMIVQPWSA-N 1 3 361.490 0.965 20 0 FCADHO CN[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000569807735 491193648 /nfs/dbraw/zinc/19/36/48/491193648.db2.gz NWNCFJZBYAZOPZ-KRWDZBQOSA-N 1 3 362.522 0.747 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000562831763 491194775 /nfs/dbraw/zinc/19/47/75/491194775.db2.gz RSTPTNQGNPAJLM-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@H](CN1CCOCC1)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185143321 488399605 /nfs/dbraw/zinc/39/96/05/488399605.db2.gz XWEXKBVPMAFMJM-MRXNPFEDSA-N 1 3 355.527 0.422 20 0 FCADHO COCC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000195140085 488435920 /nfs/dbraw/zinc/43/59/20/488435920.db2.gz UTFYJRBVMWDJQN-SFHVURJKSA-N 1 3 369.554 0.668 20 0 FCADHO CC1CCN(CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000236840930 488454004 /nfs/dbraw/zinc/45/40/04/488454004.db2.gz APWSQDPVIARUCA-SJORKVTESA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCC[C@H](C)C1 ZINC000246344078 488472544 /nfs/dbraw/zinc/47/25/44/488472544.db2.gz FAQITUCFDDSOQC-LSDHHAIUSA-N 1 3 364.494 0.620 20 0 FCADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246774597 488475268 /nfs/dbraw/zinc/47/52/68/488475268.db2.gz IFEMCRCBYUUCRB-DLBZAZTESA-N 1 3 356.511 0.632 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752588 488475318 /nfs/dbraw/zinc/47/53/18/488475318.db2.gz XNAOTWQRVRLRCP-DOTOQJQBSA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000246752588 488475319 /nfs/dbraw/zinc/47/53/19/488475319.db2.gz XNAOTWQRVRLRCP-DOTOQJQBSA-N 1 3 365.522 0.807 20 0 FCADHO CCCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1)[C@@H]1CC[NH2+]C1 ZINC000246905441 488477448 /nfs/dbraw/zinc/47/74/48/488477448.db2.gz KAHNFBLAPBJNHT-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1)[C@H]1CC[NH2+]C1 ZINC000246905476 488477715 /nfs/dbraw/zinc/47/77/15/488477715.db2.gz KAHNFBLAPBJNHT-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000269288103 488487196 /nfs/dbraw/zinc/48/71/96/488487196.db2.gz JQJRKXHUVLFTQA-OALUTQOASA-N 1 3 360.502 0.860 20 0 FCADHO C[C@@H]1C[N@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000097727422 488493159 /nfs/dbraw/zinc/49/31/59/488493159.db2.gz RDWVPXZIZWWJIL-LJQANCHMSA-N 1 3 354.539 0.437 20 0 FCADHO C[C@@H]1C[N@@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000097727422 488493161 /nfs/dbraw/zinc/49/31/61/488493161.db2.gz RDWVPXZIZWWJIL-LJQANCHMSA-N 1 3 354.539 0.437 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000101764844 488496280 /nfs/dbraw/zinc/49/62/80/488496280.db2.gz WTUZPSKKUWIBQK-INIZCTEOSA-N 1 3 353.511 0.714 20 0 FCADHO CC1CC[NH+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000102049247 488497554 /nfs/dbraw/zinc/49/75/54/488497554.db2.gz FQTYAQYALYCBKL-QGZVFWFLSA-N 1 3 367.538 0.960 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103314384 488500806 /nfs/dbraw/zinc/50/08/06/488500806.db2.gz JLUJGWAAMNKENG-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103314384 488500809 /nfs/dbraw/zinc/50/08/09/488500809.db2.gz JLUJGWAAMNKENG-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000111510462 488529567 /nfs/dbraw/zinc/52/95/67/488529567.db2.gz HDFCSAOCESPPNL-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000111510462 488529568 /nfs/dbraw/zinc/52/95/68/488529568.db2.gz HDFCSAOCESPPNL-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000118094138 488553076 /nfs/dbraw/zinc/55/30/76/488553076.db2.gz OXAUUKUQPKSQQR-UHFFFAOYSA-N 1 3 361.490 0.440 20 0 FCADHO COCCNCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262632287 488583351 /nfs/dbraw/zinc/58/33/51/488583351.db2.gz FVOIBGUDVJMAQK-KRWDZBQOSA-N 1 3 362.474 0.236 20 0 FCADHO COCCNCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262632287 488583353 /nfs/dbraw/zinc/58/33/53/488583353.db2.gz FVOIBGUDVJMAQK-KRWDZBQOSA-N 1 3 362.474 0.236 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000554584957 491211270 /nfs/dbraw/zinc/21/12/70/491211270.db2.gz RFTDDPQSJKQMQC-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000263226023 488606734 /nfs/dbraw/zinc/60/67/34/488606734.db2.gz GNGIDLXUPVBFQZ-BQFCYCMXSA-N 1 3 367.538 0.103 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263259016 488607836 /nfs/dbraw/zinc/60/78/36/488607836.db2.gz RYWTYCMOIFACJT-HKUYNNGSSA-N 1 3 360.502 0.767 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263259016 488607837 /nfs/dbraw/zinc/60/78/37/488607837.db2.gz RYWTYCMOIFACJT-HKUYNNGSSA-N 1 3 360.502 0.767 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000263265335 488608532 /nfs/dbraw/zinc/60/85/32/488608532.db2.gz UZJWCOOIGUPXFP-MPGHIAIKSA-N 1 3 368.522 0.434 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CCCC2)CC1 ZINC000263267549 488608546 /nfs/dbraw/zinc/60/85/46/488608546.db2.gz VPVFSJSCLKPLMC-KRWDZBQOSA-N 1 3 368.522 0.626 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCN3CCOCC3)CC2)CC1 ZINC000127471603 488616883 /nfs/dbraw/zinc/61/68/83/488616883.db2.gz GKFAZSFTZWJUDH-UHFFFAOYSA-N 1 3 367.538 0.567 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000563064026 491212304 /nfs/dbraw/zinc/21/23/04/491212304.db2.gz OGKTVLKSIAWSBR-INIZCTEOSA-N 1 3 364.515 0.945 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000563075695 491213300 /nfs/dbraw/zinc/21/33/00/491213300.db2.gz NAATYTGWSFVACD-HNAYVOBHSA-N 1 3 350.507 0.825 20 0 FCADHO COC[C@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC[NH2+]C1 ZINC000563076872 491213373 /nfs/dbraw/zinc/21/33/73/491213373.db2.gz KDRMUSNPRBGYGC-FQEVSTJZSA-N 1 3 361.486 0.886 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563077670 491213416 /nfs/dbraw/zinc/21/34/16/491213416.db2.gz NFCPHUOPTBOSJA-NXHRZFHOSA-N 1 3 358.486 0.881 20 0 FCADHO COCc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130580798 488638559 /nfs/dbraw/zinc/63/85/59/488638559.db2.gz WONJOQGVUXJNDO-UHFFFAOYSA-N 1 3 350.463 0.723 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000130611638 488639330 /nfs/dbraw/zinc/63/93/30/488639330.db2.gz BHLKVJNADWREHY-UHFFFAOYSA-N 1 3 350.463 0.894 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCC[C@H](C)C1 ZINC000134144734 488664966 /nfs/dbraw/zinc/66/49/66/488664966.db2.gz FAQITUCFDDSOQC-GJZGRUSLSA-N 1 3 364.494 0.620 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000134163390 488665116 /nfs/dbraw/zinc/66/51/16/488665116.db2.gz UNDSLSAZJQZSNY-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136934443 488679690 /nfs/dbraw/zinc/67/96/90/488679690.db2.gz UJJYWXWJAPDZJV-MRXNPFEDSA-N 1 3 350.463 0.863 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000138616614 488682819 /nfs/dbraw/zinc/68/28/19/488682819.db2.gz KSLBYWIPKQYZSP-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000138616614 488682820 /nfs/dbraw/zinc/68/28/20/488682820.db2.gz KSLBYWIPKQYZSP-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000138884036 488683198 /nfs/dbraw/zinc/68/31/98/488683198.db2.gz YMQUMYPYZOWDJK-KRWDZBQOSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@@H](CNC(=O)Cc1ccc(CC(=O)NC[C@H](C)[NH+](C)C)cc1)N(C)C ZINC000274199136 488689632 /nfs/dbraw/zinc/68/96/32/488689632.db2.gz RHIKFZLEIAMZMU-HOTGVXAUSA-N 1 3 362.518 0.904 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153276565 488729817 /nfs/dbraw/zinc/72/98/17/488729817.db2.gz GHYHUYBPZLITPD-AWEZNQCLSA-N 1 3 350.467 0.374 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1=O ZINC000266807071 488732294 /nfs/dbraw/zinc/73/22/94/488732294.db2.gz BULLOOIIYRDHJX-GOSISDBHSA-N 1 3 372.513 0.612 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155484243 488755664 /nfs/dbraw/zinc/75/56/64/488755664.db2.gz ZSUAALXFLQXPHS-SFHVURJKSA-N 1 3 352.523 0.726 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155484243 488755666 /nfs/dbraw/zinc/75/56/66/488755666.db2.gz ZSUAALXFLQXPHS-SFHVURJKSA-N 1 3 352.523 0.726 20 0 FCADHO COC1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[NH2+]CC1 ZINC000166455782 488811863 /nfs/dbraw/zinc/81/18/63/488811863.db2.gz TWRVAVVBBUZMAM-UHFFFAOYSA-N 1 3 362.474 0.363 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000172454630 488834308 /nfs/dbraw/zinc/83/43/08/488834308.db2.gz NDRSDKTZCJPIPI-UHFFFAOYSA-N 1 3 368.522 0.851 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000173487763 488843067 /nfs/dbraw/zinc/84/30/67/488843067.db2.gz OVWUNKLGBUVSPI-QZTJIDSGSA-N 1 3 369.554 0.526 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000288533837 488989364 /nfs/dbraw/zinc/98/93/64/488989364.db2.gz DSWQYINOFLYGEM-AWEZNQCLSA-N 1 3 367.446 0.532 20 0 FCADHO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CNCc2ccccc21 ZINC000570278634 491229853 /nfs/dbraw/zinc/22/98/53/491229853.db2.gz HCJVLEGWCLQMQP-LMMKCTJWSA-N 1 3 356.470 0.636 20 0 FCADHO CN(CCCN(C)CC[NH+](C)C)CCNS(=O)(=O)c1ccccc1 ZINC000289561028 489077832 /nfs/dbraw/zinc/07/78/32/489077832.db2.gz XUEDSFBKQSDVPN-UHFFFAOYSA-N 1 3 356.536 0.780 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCO1 ZINC000331385401 489204614 /nfs/dbraw/zinc/20/46/14/489204614.db2.gz KPDDSVVDSZAEND-GVDBMIGSSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN2CCCC2)CCCO1 ZINC000563471580 491250071 /nfs/dbraw/zinc/25/00/71/491250071.db2.gz FTTWLVOOJSOYTJ-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN2CCCC2)CCCO1 ZINC000563471580 491250072 /nfs/dbraw/zinc/25/00/72/491250072.db2.gz FTTWLVOOJSOYTJ-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698769 489363226 /nfs/dbraw/zinc/36/32/26/489363226.db2.gz CDCWLIHNSABFDX-MAUKXSAKSA-N 1 3 370.497 0.590 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(CCOC)C2)CC1=O ZINC000363394468 489462418 /nfs/dbraw/zinc/46/24/18/489462418.db2.gz AQJOZIUNCKAYNK-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(CCOC)C2)CC1=O ZINC000363394468 489462420 /nfs/dbraw/zinc/46/24/20/489462420.db2.gz AQJOZIUNCKAYNK-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423120406 489494835 /nfs/dbraw/zinc/49/48/35/489494835.db2.gz GKRWEQXCFPZREV-BPQIPLTHSA-N 1 3 358.486 0.740 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423120406 489494837 /nfs/dbraw/zinc/49/48/37/489494837.db2.gz GKRWEQXCFPZREV-BPQIPLTHSA-N 1 3 358.486 0.740 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000423198365 489501650 /nfs/dbraw/zinc/50/16/50/489501650.db2.gz FMYKQVMKMCIMRE-QGZVFWFLSA-N 1 3 358.486 0.930 20 0 FCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000563626239 491259295 /nfs/dbraw/zinc/25/92/95/491259295.db2.gz WHKUGTJTGLHVSY-QGZVFWFLSA-N 1 3 374.466 0.749 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423204621 489502535 /nfs/dbraw/zinc/50/25/35/489502535.db2.gz OBCSFVRBRJJUDS-LJQANCHMSA-N 1 3 364.465 0.913 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423258444 489507783 /nfs/dbraw/zinc/50/77/83/489507783.db2.gz MCRPJWISYDFZOY-MOPGFXCFSA-N 1 3 372.513 0.953 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423265438 489509034 /nfs/dbraw/zinc/50/90/34/489509034.db2.gz RAXQKRXSVODFEM-CVEARBPZSA-N 1 3 356.511 0.247 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423273123 489509649 /nfs/dbraw/zinc/50/96/49/489509649.db2.gz ZWMFKSVVJNIEKG-BBWFWOEESA-N 1 3 368.522 0.389 20 0 FCADHO CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000563637984 491260104 /nfs/dbraw/zinc/26/01/04/491260104.db2.gz QXIFQVICXHBJTF-NCOADZHNSA-N 1 3 357.458 0.385 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000415540002 489527805 /nfs/dbraw/zinc/52/78/05/489527805.db2.gz NIVCGWYKRLWHTK-GOSISDBHSA-N 1 3 373.501 0.616 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000415546915 489528360 /nfs/dbraw/zinc/52/83/60/489528360.db2.gz NXAQQCLAAHCGOU-UHFFFAOYSA-N 1 3 361.490 0.833 20 0 FCADHO COCCN(C)CCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371959600 489528759 /nfs/dbraw/zinc/52/87/59/489528759.db2.gz KUIUSLZOIQCRON-UHFFFAOYSA-N 1 3 369.554 0.624 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1Cl ZINC000555631212 491260996 /nfs/dbraw/zinc/26/09/96/491260996.db2.gz HWBVHJDGXXHFHJ-UHFFFAOYSA-N 1 3 354.882 0.908 20 0 FCADHO COC[C@]1(CNC(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CCC[NH2+]1 ZINC000415716149 489544694 /nfs/dbraw/zinc/54/46/94/489544694.db2.gz ZUKQJGHKBTXGTR-LJQANCHMSA-N 1 3 362.474 0.880 20 0 FCADHO CN(C(=O)C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1C[NH2+]C1 ZINC000415746493 489549605 /nfs/dbraw/zinc/54/96/05/489549605.db2.gz SWTJJWVQNABKMA-UHFFFAOYSA-N 1 3 360.458 0.920 20 0 FCADHO CN(C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CNC1 ZINC000415746493 489549607 /nfs/dbraw/zinc/54/96/07/489549607.db2.gz SWTJJWVQNABKMA-UHFFFAOYSA-N 1 3 360.458 0.920 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415754431 489550023 /nfs/dbraw/zinc/55/00/23/489550023.db2.gz ZMEXNBWTCFFLHN-GJZGRUSLSA-N 1 3 360.458 0.633 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415754433 489550094 /nfs/dbraw/zinc/55/00/94/489550094.db2.gz ZMEXNBWTCFFLHN-LSDHHAIUSA-N 1 3 360.458 0.633 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000415832278 489556791 /nfs/dbraw/zinc/55/67/91/489556791.db2.gz GNFZFUSQSMMUMB-NVXWUHKLSA-N 1 3 373.501 0.881 20 0 FCADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000415870548 489562488 /nfs/dbraw/zinc/56/24/88/489562488.db2.gz TVRBGFPMFSMRMG-CRAIPNDOSA-N 1 3 374.485 0.962 20 0 FCADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000415870548 489562492 /nfs/dbraw/zinc/56/24/92/489562492.db2.gz TVRBGFPMFSMRMG-CRAIPNDOSA-N 1 3 374.485 0.962 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454641937 489573952 /nfs/dbraw/zinc/57/39/52/489573952.db2.gz FPDGUYHMHMRZRA-ARFHVFGLSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454641937 489573956 /nfs/dbraw/zinc/57/39/56/489573956.db2.gz FPDGUYHMHMRZRA-ARFHVFGLSA-N 1 3 351.495 0.275 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426567630 489575635 /nfs/dbraw/zinc/57/56/35/489575635.db2.gz LMOSUTNCLZHOTO-SJORKVTESA-N 1 3 368.522 0.510 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591691 489614978 /nfs/dbraw/zinc/61/49/78/489614978.db2.gz MMTCUUGOVFLXLX-CZUORRHYSA-N 1 3 374.489 0.687 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417342187 489648778 /nfs/dbraw/zinc/64/87/78/489648778.db2.gz CKKCOBCYDRYFNR-INIZCTEOSA-N 1 3 350.463 0.805 20 0 FCADHO C[C@H]1NCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000417363645 489649545 /nfs/dbraw/zinc/64/95/45/489649545.db2.gz AUPBRSUSPGMPMB-IAGOWNOFSA-N 1 3 360.506 0.986 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000417361657 489649682 /nfs/dbraw/zinc/64/96/82/489649682.db2.gz CXKSQUTXTRCEAV-KRWDZBQOSA-N 1 3 360.506 0.893 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417382240 489650537 /nfs/dbraw/zinc/65/05/37/489650537.db2.gz JINFWMZARRCFTE-AEFFLSMTSA-N 1 3 358.490 0.597 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417378730 489650593 /nfs/dbraw/zinc/65/05/93/489650593.db2.gz FLONJCJIWGZKDB-QZTJIDSGSA-N 1 3 372.517 0.845 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417429040 489652905 /nfs/dbraw/zinc/65/29/05/489652905.db2.gz MPDJOKRUNDFJAC-JYJNAYRXSA-N 1 3 353.511 0.746 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000417745752 489663958 /nfs/dbraw/zinc/66/39/58/489663958.db2.gz FJJFGGVOYWFXAO-RYQLBKOJSA-N 1 3 351.539 0.947 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1=O ZINC000428956949 489668657 /nfs/dbraw/zinc/66/86/57/489668657.db2.gz ZICALADQDJVLME-YLFCFFPRSA-N 1 3 350.507 0.824 20 0 FCADHO COCC[NH2+]CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418067202 489677513 /nfs/dbraw/zinc/67/75/13/489677513.db2.gz BHCTWSYUPVCHHX-GOSISDBHSA-N 1 3 364.490 0.813 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418104234 489678326 /nfs/dbraw/zinc/67/83/26/489678326.db2.gz XHZPDIQEXIZRCA-HUUCEWRRSA-N 1 3 353.511 0.603 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462157 489684402 /nfs/dbraw/zinc/68/44/02/489684402.db2.gz PUDOTNVYGKRZEH-QZTJIDSGSA-N 1 3 369.554 0.406 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462157 489684405 /nfs/dbraw/zinc/68/44/05/489684405.db2.gz PUDOTNVYGKRZEH-QZTJIDSGSA-N 1 3 369.554 0.406 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297140 489689487 /nfs/dbraw/zinc/68/94/87/489689487.db2.gz KMMFYXGINJOMPE-LJQANCHMSA-N 1 3 374.533 0.983 20 0 FCADHO C[C@@H](NC(=O)NCC(=O)NCCN1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418313587 489690708 /nfs/dbraw/zinc/69/07/08/489690708.db2.gz QQAWTPCTZYPOOD-CVEARBPZSA-N 1 3 353.511 0.666 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000563825694 491271724 /nfs/dbraw/zinc/27/17/24/491271724.db2.gz DXJRNDPBULFJMV-INIZCTEOSA-N 1 3 369.554 0.223 20 0 FCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418414359 489697155 /nfs/dbraw/zinc/69/71/55/489697155.db2.gz RQDBIVMORHWJTR-HOTGVXAUSA-N 1 3 353.511 0.795 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418483601 489701994 /nfs/dbraw/zinc/70/19/94/489701994.db2.gz ZKASXJBZIGHVDZ-IRXDYDNUSA-N 1 3 361.490 0.312 20 0 FCADHO CC1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CC[NH2+]CC1 ZINC000418526033 489704368 /nfs/dbraw/zinc/70/43/68/489704368.db2.gz ZACWIAMKJKJHGJ-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000418565587 489707857 /nfs/dbraw/zinc/70/78/57/489707857.db2.gz VNTIAMPXUWEETF-SCTDSRPQSA-N 1 3 362.474 0.507 20 0 FCADHO CN(CCN1CCCC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418610851 489710022 /nfs/dbraw/zinc/71/00/22/489710022.db2.gz HBUCYHGTHUZMHJ-ZDUSSCGKSA-N 1 3 351.417 0.560 20 0 FCADHO COCC1(CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000418642716 489714146 /nfs/dbraw/zinc/71/41/46/489714146.db2.gz RZFIAUTXAPRXCL-MRXNPFEDSA-N 1 3 356.511 0.395 20 0 FCADHO COC[C@@]1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCC[NH2+]1 ZINC000418642760 489714299 /nfs/dbraw/zinc/71/42/99/489714299.db2.gz TXJPCJWDKAFQFE-SFHVURJKSA-N 1 3 369.510 0.046 20 0 FCADHO CC(C)C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(=O)NCCN(C)C ZINC000418663025 489716325 /nfs/dbraw/zinc/71/63/25/489716325.db2.gz WCJINAWMVMZXMQ-BBWFWOEESA-N 1 3 367.538 0.766 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000489542012 489716859 /nfs/dbraw/zinc/71/68/59/489716859.db2.gz AAOIXSUPZYBTFM-ZWKOTPCHSA-N 1 3 369.554 0.549 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1)[C@@H]1CCC[NH2+]1 ZINC000570923982 491273890 /nfs/dbraw/zinc/27/38/90/491273890.db2.gz PLDLAVDFMMAABR-IPELMVKDSA-N 1 3 370.497 0.980 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000563874062 491274012 /nfs/dbraw/zinc/27/40/12/491274012.db2.gz GEAOTZJQSGMMEY-UHFFFAOYSA-N 1 3 353.492 0.911 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418750712 489721990 /nfs/dbraw/zinc/72/19/90/489721990.db2.gz PDWKQZWORGUXFB-INIZCTEOSA-N 1 3 353.511 0.714 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418773073 489724631 /nfs/dbraw/zinc/72/46/31/489724631.db2.gz XIVLHEGIVDCPBW-KRWDZBQOSA-N 1 3 351.470 0.803 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774523 489725896 /nfs/dbraw/zinc/72/58/96/489725896.db2.gz YWRMCMPOHMNNGB-RTBURBONSA-N 1 3 374.533 0.981 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCCO1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418794668 489728241 /nfs/dbraw/zinc/72/82/41/489728241.db2.gz RKXUVMUFCNHHGI-MJGOQNOKSA-N 1 3 362.474 0.301 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CCN2CCCC[C@H]2CC[NH3+])c1 ZINC000489861908 489731819 /nfs/dbraw/zinc/73/18/19/489731819.db2.gz UEQBLJSKYDQDCG-AWEZNQCLSA-N 1 3 354.476 0.866 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430545171 489744946 /nfs/dbraw/zinc/74/49/46/489744946.db2.gz HLOYDROBFZFGFV-HNNXBMFYSA-N 1 3 356.492 0.968 20 0 FCADHO CCCN(C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000418847502 489754653 /nfs/dbraw/zinc/75/46/53/489754653.db2.gz JIGMNVRWOOVKLO-ROUUACIJSA-N 1 3 360.502 0.876 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418855853 489759177 /nfs/dbraw/zinc/75/91/77/489759177.db2.gz VSTMPFJOUZAVIN-ROUUACIJSA-N 1 3 360.502 0.734 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418865512 489764355 /nfs/dbraw/zinc/76/43/55/489764355.db2.gz MJNGIHFJIWZRLS-HRCADAONSA-N 1 3 350.507 0.681 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)C1(n2cccn2)CC[NH2+]CC1 ZINC000376637828 489764765 /nfs/dbraw/zinc/76/47/65/489764765.db2.gz ULMDPJBUFJPRLP-UHFFFAOYSA-N 1 3 355.446 0.405 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000430711215 489765574 /nfs/dbraw/zinc/76/55/74/489765574.db2.gz DNLCGGZJTNYRJP-XIRDDKMYSA-N 1 3 350.507 0.966 20 0 FCADHO COCC[C@@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000430714838 489766890 /nfs/dbraw/zinc/76/68/90/489766890.db2.gz PWAHVBRDVDNXBC-SFHVURJKSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418877449 489771550 /nfs/dbraw/zinc/77/15/50/489771550.db2.gz IYEKTAUQENFMGN-OWCLPIDISA-N 1 3 354.495 0.332 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883637 489774488 /nfs/dbraw/zinc/77/44/88/489774488.db2.gz VLBFRVVBSRLBLJ-RDJZCZTQSA-N 1 3 368.522 0.627 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894343 489779112 /nfs/dbraw/zinc/77/91/12/489779112.db2.gz BAORBWOZXQDCPU-GJZGRUSLSA-N 1 3 368.522 0.986 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894670 489783709 /nfs/dbraw/zinc/78/37/09/489783709.db2.gz IRJXHCQFHHXCQF-RBUKOAKNSA-N 1 3 372.513 0.987 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894670 489783710 /nfs/dbraw/zinc/78/37/10/489783710.db2.gz IRJXHCQFHHXCQF-RBUKOAKNSA-N 1 3 372.513 0.987 20 0 FCADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000431018139 489785228 /nfs/dbraw/zinc/78/52/28/489785228.db2.gz UTBYMDXSESIHLZ-UHFFFAOYSA-N 1 3 360.458 0.640 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431037566 489786985 /nfs/dbraw/zinc/78/69/85/489786985.db2.gz OMRNLWQMALDSKJ-MRXNPFEDSA-N 1 3 358.490 0.589 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3COCCN3CC(F)F)CC2)CC1 ZINC000376759127 489791984 /nfs/dbraw/zinc/79/19/84/489791984.db2.gz DOJUVLCQTNWWOA-INIZCTEOSA-N 1 3 374.476 0.627 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000418922015 489792338 /nfs/dbraw/zinc/79/23/38/489792338.db2.gz DDEUYHOSTGEDAA-XHSDSOJGSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298274 489799879 /nfs/dbraw/zinc/79/98/79/489799879.db2.gz TVYYDTYQQSAQBA-NVXWUHKLSA-N 1 3 365.522 0.761 20 0 FCADHO C[C@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1=CCN(C)CC1 ZINC000431463180 489806109 /nfs/dbraw/zinc/80/61/09/489806109.db2.gz GJRYAEWZIIZCAX-INIZCTEOSA-N 1 3 365.522 0.928 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000459997187 489812953 /nfs/dbraw/zinc/81/29/53/489812953.db2.gz SIZNQBWBISPAKX-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000459997187 489812957 /nfs/dbraw/zinc/81/29/57/489812957.db2.gz SIZNQBWBISPAKX-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000419008210 489816144 /nfs/dbraw/zinc/81/61/44/489816144.db2.gz VFMGZXYTBMMRFZ-MSOLQXFVSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419023064 489821731 /nfs/dbraw/zinc/82/17/31/489821731.db2.gz IZFHBDGRLQBCBZ-ZVDSWSACSA-N 1 3 368.522 0.698 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419023064 489821735 /nfs/dbraw/zinc/82/17/35/489821735.db2.gz IZFHBDGRLQBCBZ-ZVDSWSACSA-N 1 3 368.522 0.698 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023859 489822251 /nfs/dbraw/zinc/82/22/51/489822251.db2.gz KASPDQOFQNPGTE-JKSUJKDBSA-N 1 3 368.522 0.579 20 0 FCADHO CCN(CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1CC1 ZINC000431920040 489823103 /nfs/dbraw/zinc/82/31/03/489823103.db2.gz SABHMHRNVBVNMM-UHFFFAOYSA-N 1 3 353.511 0.762 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419029140 489824212 /nfs/dbraw/zinc/82/42/12/489824212.db2.gz FPSHNEYHQTWVPR-UHFFFAOYSA-N 1 3 370.563 0.922 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033681 489826728 /nfs/dbraw/zinc/82/67/28/489826728.db2.gz YPKFTTHTHCADDD-OAGGEKHMSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419044396 489832234 /nfs/dbraw/zinc/83/22/34/489832234.db2.gz PUDXAMMEHAQQEN-NVXWUHKLSA-N 1 3 368.522 0.578 20 0 FCADHO NC[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419064870 489840673 /nfs/dbraw/zinc/84/06/73/489840673.db2.gz CQHFVEPVKDBVSL-SFHVURJKSA-N 1 3 358.486 0.868 20 0 FCADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000419065491 489841930 /nfs/dbraw/zinc/84/19/30/489841930.db2.gz ADNLKHJANXOIBE-MSOLQXFVSA-N 1 3 374.485 0.467 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069167 489843500 /nfs/dbraw/zinc/84/35/00/489843500.db2.gz GBXUQUYREMOEPQ-NVXWUHKLSA-N 1 3 362.474 0.754 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419076761 489847122 /nfs/dbraw/zinc/84/71/22/489847122.db2.gz IJNNBBICZCIVOF-RRFJBIMHSA-N 1 3 354.495 0.596 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084189 489847150 /nfs/dbraw/zinc/84/71/50/489847150.db2.gz UENKCJOGAZCAFA-IAGOWNOFSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000460084189 489847153 /nfs/dbraw/zinc/84/71/53/489847153.db2.gz UENKCJOGAZCAFA-IAGOWNOFSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419076759 489847789 /nfs/dbraw/zinc/84/77/89/489847789.db2.gz IJNNBBICZCIVOF-KFWWJZLASA-N 1 3 354.495 0.596 20 0 FCADHO CC(C)OC[C@@H](CO)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000433338242 489876007 /nfs/dbraw/zinc/87/60/07/489876007.db2.gz VEAJEYQHMDVVML-GOSISDBHSA-N 1 3 370.538 0.972 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420014 489882145 /nfs/dbraw/zinc/88/21/45/489882145.db2.gz ILQLPKDNXZBLAU-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420022939 489883044 /nfs/dbraw/zinc/88/30/44/489883044.db2.gz AGFWBYJSAQUYAS-INIZCTEOSA-N 1 3 350.438 0.569 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420043633 489891537 /nfs/dbraw/zinc/89/15/37/489891537.db2.gz SBKYOTANZRKLAD-LSDHHAIUSA-N 1 3 354.495 0.550 20 0 FCADHO NC[C@H](NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069811 489902299 /nfs/dbraw/zinc/90/22/99/489902299.db2.gz WBBBYJGVCMBMPF-KSZLIROESA-N 1 3 356.470 0.430 20 0 FCADHO NC[C@H](NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069811 489902302 /nfs/dbraw/zinc/90/23/02/489902302.db2.gz WBBBYJGVCMBMPF-KSZLIROESA-N 1 3 356.470 0.430 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420080877 489905317 /nfs/dbraw/zinc/90/53/17/489905317.db2.gz HIJMBPQFEIJKJZ-QGZVFWFLSA-N 1 3 368.522 0.579 20 0 FCADHO CN(Cc1ccccc1C[N@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000461381443 489907382 /nfs/dbraw/zinc/90/73/82/489907382.db2.gz NLCFJMNIPIUKPG-PMACEKPBSA-N 1 3 364.486 0.853 20 0 FCADHO CN(Cc1ccccc1C[N@@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000461381443 489907385 /nfs/dbraw/zinc/90/73/85/489907385.db2.gz NLCFJMNIPIUKPG-PMACEKPBSA-N 1 3 364.486 0.853 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420089156 489908631 /nfs/dbraw/zinc/90/86/31/489908631.db2.gz JFYDXJDQZOYUQJ-UHFFFAOYSA-N 1 3 350.438 0.714 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000477029923 489933532 /nfs/dbraw/zinc/93/35/32/489933532.db2.gz CSPABXSDCDFITK-HNNXBMFYSA-N 1 3 370.538 0.839 20 0 FCADHO O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3CN3CC[C@H](O)C3)CC2)N1 ZINC000564117762 491289476 /nfs/dbraw/zinc/28/94/76/491289476.db2.gz MNMMDVWBKDDPHD-GNZRSQJKSA-N 1 3 372.469 0.864 20 0 FCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420204702 489951124 /nfs/dbraw/zinc/95/11/24/489951124.db2.gz SQSHATSANHGHPE-MRXNPFEDSA-N 1 3 354.495 0.062 20 0 FCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420204702 489951127 /nfs/dbraw/zinc/95/11/27/489951127.db2.gz SQSHATSANHGHPE-MRXNPFEDSA-N 1 3 354.495 0.062 20 0 FCADHO COCCN(C)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420208224 489952918 /nfs/dbraw/zinc/95/29/18/489952918.db2.gz RZDWNBQRRHNWFW-UHFFFAOYSA-N 1 3 362.474 0.201 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420215128 489954418 /nfs/dbraw/zinc/95/44/18/489954418.db2.gz RWHACKOJGMQHKV-IXDOHACOSA-N 1 3 368.522 0.308 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867509 489964157 /nfs/dbraw/zinc/96/41/57/489964157.db2.gz FDILKAKBEJKWEW-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000434867509 489964160 /nfs/dbraw/zinc/96/41/60/489964160.db2.gz FDILKAKBEJKWEW-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000420348065 489965749 /nfs/dbraw/zinc/96/57/49/489965749.db2.gz JJDPNKGGWQSXJG-OALUTQOASA-N 1 3 360.502 0.294 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000420392350 489971975 /nfs/dbraw/zinc/97/19/75/489971975.db2.gz PJSDUKOERWEDNN-CGTJXYLNSA-N 1 3 352.523 0.757 20 0 FCADHO C[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420406306 489972750 /nfs/dbraw/zinc/97/27/50/489972750.db2.gz NMSUCMFCZCPYFY-STQMWFEESA-N 1 3 354.476 0.579 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000477615629 489977472 /nfs/dbraw/zinc/97/74/72/489977472.db2.gz MGSYMNGTUXZSSM-NVXWUHKLSA-N 1 3 368.522 0.545 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000477615629 489977476 /nfs/dbraw/zinc/97/74/76/489977476.db2.gz MGSYMNGTUXZSSM-NVXWUHKLSA-N 1 3 368.522 0.545 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619962 489978264 /nfs/dbraw/zinc/97/82/64/489978264.db2.gz ZYXLPKLUDHOCLV-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)C1 ZINC000478794105 490037765 /nfs/dbraw/zinc/03/77/65/490037765.db2.gz HGYZPKYFMUDJLO-CVEARBPZSA-N 1 3 355.527 0.109 20 0 FCADHO NC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202477 490074441 /nfs/dbraw/zinc/07/44/41/490074441.db2.gz QMJSEAFCDAZVRE-ZBFHGGJFSA-N 1 3 350.438 0.572 20 0 FCADHO NC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202477 490074448 /nfs/dbraw/zinc/07/44/48/490074448.db2.gz QMJSEAFCDAZVRE-ZBFHGGJFSA-N 1 3 350.438 0.572 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCSC1 ZINC000421726794 490101871 /nfs/dbraw/zinc/10/18/71/490101871.db2.gz RYMCWCLGZSDDLA-MQBCKMQZSA-N 1 3 356.536 0.529 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCCN2C)CC1=O ZINC000422012808 490126131 /nfs/dbraw/zinc/12/61/31/490126131.db2.gz CJCMUQZBIPCLSQ-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCCN2C)CC1=O ZINC000422012808 490126137 /nfs/dbraw/zinc/12/61/37/490126137.db2.gz CJCMUQZBIPCLSQ-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)CC1 ZINC000422023511 490127622 /nfs/dbraw/zinc/12/76/22/490127622.db2.gz PNLZWYZMVLTMAR-IBGZPJMESA-N 1 3 363.550 0.395 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000465852909 490146842 /nfs/dbraw/zinc/14/68/42/490146842.db2.gz XTRXHPDICZKTMQ-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000465852909 490146853 /nfs/dbraw/zinc/14/68/53/490146853.db2.gz XTRXHPDICZKTMQ-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1C ZINC000465863635 490149199 /nfs/dbraw/zinc/14/91/99/490149199.db2.gz HAPWUGVFEMKQHH-GOEBONIOSA-N 1 3 353.511 0.711 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000556203932 491302755 /nfs/dbraw/zinc/30/27/55/491302755.db2.gz FFOSGDSHNRRMAD-QGZVFWFLSA-N 1 3 356.536 0.529 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556205408 491302822 /nfs/dbraw/zinc/30/28/22/491302822.db2.gz OWICLGHWSSVPHA-RHSMWYFYSA-N 1 3 356.536 0.388 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556205408 491302825 /nfs/dbraw/zinc/30/28/25/491302825.db2.gz OWICLGHWSSVPHA-RHSMWYFYSA-N 1 3 356.536 0.388 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351972 491303018 /nfs/dbraw/zinc/30/30/18/491303018.db2.gz RFLSPTHSVDTUPF-QZTJIDSGSA-N 1 3 371.485 0.604 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000556206745 491303060 /nfs/dbraw/zinc/30/30/60/491303060.db2.gz QJWIPJHQHHBWGF-GOSISDBHSA-N 1 3 370.563 0.778 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CCSCC2)CC1 ZINC000465923841 490153439 /nfs/dbraw/zinc/15/34/39/490153439.db2.gz RGZYXANUOUKZFC-MRXNPFEDSA-N 1 3 357.568 0.608 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000466033513 490159869 /nfs/dbraw/zinc/15/98/69/490159869.db2.gz LDWJCNNWGCVCLO-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000466033513 490159873 /nfs/dbraw/zinc/15/98/73/490159873.db2.gz LDWJCNNWGCVCLO-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000466233894 490171680 /nfs/dbraw/zinc/17/16/80/490171680.db2.gz FUNWMGFUOFRJHC-OIISXLGYSA-N 1 3 365.522 0.711 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000466233894 490171691 /nfs/dbraw/zinc/17/16/91/490171691.db2.gz FUNWMGFUOFRJHC-OIISXLGYSA-N 1 3 365.522 0.711 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000422120245 490172244 /nfs/dbraw/zinc/17/22/44/490172244.db2.gz PNQLFWCAAOZRHC-IRXDYDNUSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120245 490172251 /nfs/dbraw/zinc/17/22/51/490172251.db2.gz PNQLFWCAAOZRHC-IRXDYDNUSA-N 1 3 350.507 0.729 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000571418782 491306418 /nfs/dbraw/zinc/30/64/18/491306418.db2.gz NNJZABZOMPKREG-MOPGFXCFSA-N 1 3 359.518 0.848 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227668 490205026 /nfs/dbraw/zinc/20/50/26/490205026.db2.gz GTVSIXLAKWRBJJ-OAHLLOKOSA-N 1 3 353.511 0.700 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000422227668 490205032 /nfs/dbraw/zinc/20/50/32/490205032.db2.gz GTVSIXLAKWRBJJ-OAHLLOKOSA-N 1 3 353.511 0.700 20 0 FCADHO Cc1c(C(=O)NC[C@H](O)CN2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000564448291 491307303 /nfs/dbraw/zinc/30/73/03/491307303.db2.gz LLGWIGBIMMBCBM-INIZCTEOSA-N 1 3 364.494 0.334 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000422291852 490235383 /nfs/dbraw/zinc/23/53/83/490235383.db2.gz FMSHYZYQEVOHCW-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000422291852 490235385 /nfs/dbraw/zinc/23/53/85/490235385.db2.gz FMSHYZYQEVOHCW-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H](C)C1 ZINC000556363871 491312427 /nfs/dbraw/zinc/31/24/27/491312427.db2.gz PFEXHRSEBZDBNB-NCOADZHNSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](C)C1 ZINC000556363871 491312429 /nfs/dbraw/zinc/31/24/29/491312429.db2.gz PFEXHRSEBZDBNB-NCOADZHNSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000564573805 491314728 /nfs/dbraw/zinc/31/47/28/491314728.db2.gz JXTIKPNXOZGGBN-HNNXBMFYSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000564573805 491314729 /nfs/dbraw/zinc/31/47/29/491314729.db2.gz JXTIKPNXOZGGBN-HNNXBMFYSA-N 1 3 355.527 0.957 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979828 490306441 /nfs/dbraw/zinc/30/64/41/490306441.db2.gz BKSOOORWDCORTP-HOTGVXAUSA-N 1 3 367.538 0.993 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000447979828 490306444 /nfs/dbraw/zinc/30/64/44/490306444.db2.gz BKSOOORWDCORTP-HOTGVXAUSA-N 1 3 367.538 0.993 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1(C)C ZINC000483423208 490316611 /nfs/dbraw/zinc/31/66/11/490316611.db2.gz XXXAAOWJVMESBP-HZPDHXFCSA-N 1 3 367.538 0.118 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[C@@H]2C)CC1=O ZINC000498725945 490332471 /nfs/dbraw/zinc/33/24/71/490332471.db2.gz KTZRZPPJPYXVJH-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[C@@H]2C)CC1=O ZINC000498725945 490332477 /nfs/dbraw/zinc/33/24/77/490332477.db2.gz KTZRZPPJPYXVJH-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522309426 490371042 /nfs/dbraw/zinc/37/10/42/490371042.db2.gz NCUGTBZCLNSMNQ-ZBFHGGJFSA-N 1 3 351.495 0.465 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522309426 490371052 /nfs/dbraw/zinc/37/10/52/490371052.db2.gz NCUGTBZCLNSMNQ-ZBFHGGJFSA-N 1 3 351.495 0.465 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000564725329 491322710 /nfs/dbraw/zinc/32/27/10/491322710.db2.gz AHQUGGGYWSRSKS-GOSISDBHSA-N 1 3 374.485 0.128 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706651 490425559 /nfs/dbraw/zinc/42/55/59/490425559.db2.gz OAGCWESUNYXMEX-XHSDSOJGSA-N 1 3 350.507 0.824 20 0 FCADHO CC1[C@@H](C(=O)N2CCN(C)CC[C@H]2C)[C@@H]1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000449856342 490431828 /nfs/dbraw/zinc/43/18/28/490431828.db2.gz MWYKHQLWGGBHBY-JOCBIADPSA-N 1 3 364.534 0.974 20 0 FCADHO CC1[C@@H](C(=O)N2CCN(C)CC[C@H]2C)[C@@H]1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000449856342 490431831 /nfs/dbraw/zinc/43/18/31/490431831.db2.gz MWYKHQLWGGBHBY-JOCBIADPSA-N 1 3 364.534 0.974 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000509705719 490453960 /nfs/dbraw/zinc/45/39/60/490453960.db2.gz HTRVIBOKSQACOR-QGZVFWFLSA-N 1 3 368.522 0.261 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000509721000 490456870 /nfs/dbraw/zinc/45/68/70/490456870.db2.gz LWWNFBGBFMEOIY-HNNXBMFYSA-N 1 3 356.511 0.260 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000484705168 490457108 /nfs/dbraw/zinc/45/71/08/490457108.db2.gz SMZOBQHBHLWJAV-HOTGVXAUSA-N 1 3 353.511 0.522 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000484718456 490459441 /nfs/dbraw/zinc/45/94/41/490459441.db2.gz YPSBMUYJZFFCAZ-OAHLLOKOSA-N 1 3 353.511 0.522 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1OCCN(C)C ZINC000411480990 490469329 /nfs/dbraw/zinc/46/93/29/490469329.db2.gz WXQZNYKGEHGJAS-IYBDPMFKSA-N 1 3 374.485 0.894 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1OCCN(C)C ZINC000411480990 490469335 /nfs/dbraw/zinc/46/93/35/490469335.db2.gz WXQZNYKGEHGJAS-IYBDPMFKSA-N 1 3 374.485 0.894 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000571787670 491329210 /nfs/dbraw/zinc/32/92/10/491329210.db2.gz QUOVENQHOGIPMI-PYOKUCOHSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787670 491329211 /nfs/dbraw/zinc/32/92/11/491329211.db2.gz QUOVENQHOGIPMI-PYOKUCOHSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1[C@H](C)CC(=O)C[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787670 491329212 /nfs/dbraw/zinc/32/92/12/491329212.db2.gz QUOVENQHOGIPMI-PYOKUCOHSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909474 490476717 /nfs/dbraw/zinc/47/67/17/490476717.db2.gz SPRCSQBPUANTDF-DZGCQCFKSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C(=O)NCCN1CCCCC1 ZINC000571879174 491334697 /nfs/dbraw/zinc/33/46/97/491334697.db2.gz IGJPPVYRVNLKKC-KGLIPLIRSA-N 1 3 362.478 0.207 20 0 FCADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985301 490511668 /nfs/dbraw/zinc/51/16/68/490511668.db2.gz DANHINDXLJBWQU-ULQDDVLXSA-N 1 3 360.506 0.999 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985301 490511671 /nfs/dbraw/zinc/51/16/71/490511671.db2.gz DANHINDXLJBWQU-ULQDDVLXSA-N 1 3 360.506 0.999 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000500432065 490514509 /nfs/dbraw/zinc/51/45/09/490514509.db2.gz MSHHIOOFCUONFW-KRWDZBQOSA-N 1 3 360.502 0.876 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000500429397 490515111 /nfs/dbraw/zinc/51/51/11/490515111.db2.gz VVSZMXKKJQZIIM-OAHLLOKOSA-N 1 3 366.506 0.204 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396508 490528040 /nfs/dbraw/zinc/52/80/40/490528040.db2.gz LYCRWIWBRLHUNO-DLBZAZTESA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396508 490528046 /nfs/dbraw/zinc/52/80/46/490528046.db2.gz LYCRWIWBRLHUNO-DLBZAZTESA-N 1 3 367.538 0.912 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423067389 490535156 /nfs/dbraw/zinc/53/51/56/490535156.db2.gz ZHNUDNAEUWMRLX-ZWKOTPCHSA-N 1 3 360.502 0.986 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485558355 490542760 /nfs/dbraw/zinc/54/27/60/490542760.db2.gz BVMHNBRECQCMKW-MAUKXSAKSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485558355 490542763 /nfs/dbraw/zinc/54/27/63/490542763.db2.gz BVMHNBRECQCMKW-MAUKXSAKSA-N 1 3 358.486 0.834 20 0 FCADHO CC1CCN(C[C@@H](O)CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000536227786 490562932 /nfs/dbraw/zinc/56/29/32/490562932.db2.gz QMAFSJYKPZXJQF-SFHVURJKSA-N 1 3 369.554 0.404 20 0 FCADHO C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)C1=CC[N@H+](C)CC1 ZINC000511233368 490572404 /nfs/dbraw/zinc/57/24/04/490572404.db2.gz XQILAICNTYWSKW-QGZVFWFLSA-N 1 3 367.538 0.326 20 0 FCADHO C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000511233368 490572408 /nfs/dbraw/zinc/57/24/08/490572408.db2.gz XQILAICNTYWSKW-QGZVFWFLSA-N 1 3 367.538 0.326 20 0 FCADHO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000571908237 491337080 /nfs/dbraw/zinc/33/70/80/491337080.db2.gz XEPJPRCCMHLLRK-MRXNPFEDSA-N 1 3 368.522 0.992 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550106496 490625121 /nfs/dbraw/zinc/62/51/21/490625121.db2.gz BZPVTGFBNYZXMI-UHFFFAOYSA-N 1 3 370.538 0.794 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501637635 490629370 /nfs/dbraw/zinc/62/93/70/490629370.db2.gz JFGINNWDLIUSEJ-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645989 490631520 /nfs/dbraw/zinc/63/15/20/490631520.db2.gz MVKHMZJKRPNDNY-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645989 490631524 /nfs/dbraw/zinc/63/15/24/490631524.db2.gz MVKHMZJKRPNDNY-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)C1(CNC(=O)NCCCCN2CCN(CCO)CC2)CCCC1 ZINC000512676726 490692612 /nfs/dbraw/zinc/69/26/12/490692612.db2.gz FNXMBDKYKJITOC-UHFFFAOYSA-N 1 3 369.554 0.550 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512666943 490692736 /nfs/dbraw/zinc/69/27/36/490692736.db2.gz MYBUTJKDLLPNHE-ZWKOTPCHSA-N 1 3 367.538 0.303 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000512666943 490692740 /nfs/dbraw/zinc/69/27/40/490692740.db2.gz MYBUTJKDLLPNHE-ZWKOTPCHSA-N 1 3 367.538 0.303 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000527126684 490700979 /nfs/dbraw/zinc/70/09/79/490700979.db2.gz XHOLDONVHBDUJC-UHFFFAOYSA-N 1 3 351.451 0.508 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000514601260 490774046 /nfs/dbraw/zinc/77/40/46/490774046.db2.gz ZTUQYAXJSCLKSH-ZFWWWQNUSA-N 1 3 350.467 0.407 20 0 FCADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000488885076 490780009 /nfs/dbraw/zinc/78/00/09/490780009.db2.gz LCYLAYSVTINGIE-IBGZPJMESA-N 1 3 360.502 0.676 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000557132712 491356083 /nfs/dbraw/zinc/35/60/83/491356083.db2.gz CMTMQMYSNUKZBF-MRXNPFEDSA-N 1 3 356.511 0.260 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000557132712 491356084 /nfs/dbraw/zinc/35/60/84/491356084.db2.gz CMTMQMYSNUKZBF-MRXNPFEDSA-N 1 3 356.511 0.260 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000514951225 490799728 /nfs/dbraw/zinc/79/97/28/490799728.db2.gz LFCROGXRCBFSSE-CVEARBPZSA-N 1 3 351.495 0.594 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000514951225 490799730 /nfs/dbraw/zinc/79/97/30/490799730.db2.gz LFCROGXRCBFSSE-CVEARBPZSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000572242944 491357802 /nfs/dbraw/zinc/35/78/02/491357802.db2.gz DOHTWDJSCHZMNB-MXSMSXNCSA-N 1 3 358.486 0.961 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2CN)[C@H](C)C1 ZINC000557193860 491358828 /nfs/dbraw/zinc/35/88/28/491358828.db2.gz SAIOFCULGLVUHV-ZACQAIPSSA-N 1 3 355.527 0.408 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2CN)[C@H](C)C1 ZINC000557193860 491358829 /nfs/dbraw/zinc/35/88/29/491358829.db2.gz SAIOFCULGLVUHV-ZACQAIPSSA-N 1 3 355.527 0.408 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731131 490838073 /nfs/dbraw/zinc/83/80/73/490838073.db2.gz HVOYBFGNEFKJBA-HNNXBMFYSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCN1C(=O)CNC1=O ZINC000505731131 490838074 /nfs/dbraw/zinc/83/80/74/490838074.db2.gz HVOYBFGNEFKJBA-HNNXBMFYSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783092 490839596 /nfs/dbraw/zinc/83/95/96/490839596.db2.gz ISBUYSDVJZSPHG-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783092 490839599 /nfs/dbraw/zinc/83/95/99/490839599.db2.gz ISBUYSDVJZSPHG-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783093 490839628 /nfs/dbraw/zinc/83/96/28/490839628.db2.gz ISBUYSDVJZSPHG-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783093 490839630 /nfs/dbraw/zinc/83/96/30/490839630.db2.gz ISBUYSDVJZSPHG-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872191 490842254 /nfs/dbraw/zinc/84/22/54/490842254.db2.gz VCJUAXOPWCUSIX-LAVFITLUSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872191 490842256 /nfs/dbraw/zinc/84/22/56/490842256.db2.gz VCJUAXOPWCUSIX-LAVFITLUSA-N 1 3 371.485 0.603 20 0 FCADHO CCNc1nc(NC[C@H](C)N2CC[NH+](CC)CC2)nc(NC(C)(C)C)n1 ZINC000516170126 490853854 /nfs/dbraw/zinc/85/38/54/490853854.db2.gz BWJHUTDNPNVKMA-AWEZNQCLSA-N 1 3 364.542 0.796 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000565192362 491359084 /nfs/dbraw/zinc/35/90/84/491359084.db2.gz ZYJTWRYCWMUGLT-HXUWFJFHSA-N 1 3 371.485 0.812 20 0 FCADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000517016336 490891050 /nfs/dbraw/zinc/89/10/50/490891050.db2.gz BRPJWHHEYCXLSU-CQSZACIVSA-N 1 3 360.458 0.623 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517059596 490893440 /nfs/dbraw/zinc/89/34/40/490893440.db2.gz WGLOTFUUSCVPOQ-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000517541853 490910934 /nfs/dbraw/zinc/91/09/34/490910934.db2.gz CCJLMUWSTQGDIK-ZWKOTPCHSA-N 1 3 373.501 0.041 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000517566859 490912751 /nfs/dbraw/zinc/91/27/51/490912751.db2.gz UCCPSZQIWRHALG-UHFFFAOYSA-N 1 3 365.522 0.855 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000517738688 490918694 /nfs/dbraw/zinc/91/86/94/490918694.db2.gz OSLWDPHYBWLRJR-DLBZAZTESA-N 1 3 363.506 0.563 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000517738688 490918696 /nfs/dbraw/zinc/91/86/96/490918696.db2.gz OSLWDPHYBWLRJR-DLBZAZTESA-N 1 3 363.506 0.563 20 0 FCADHO Cc1oc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000530772093 490923586 /nfs/dbraw/zinc/92/35/86/490923586.db2.gz ZRXHJVNAGFKGIP-UHFFFAOYSA-N 1 3 374.507 0.404 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000530880885 490929717 /nfs/dbraw/zinc/92/97/17/490929717.db2.gz PNDJHCRXXXRBTQ-UHFFFAOYSA-N 1 3 356.492 0.041 20 0 FCADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000531122091 490941647 /nfs/dbraw/zinc/94/16/47/490941647.db2.gz VBRIASUSQYUHPK-AWEZNQCLSA-N 1 3 367.494 0.191 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1=O ZINC000518540313 490944678 /nfs/dbraw/zinc/94/46/78/490944678.db2.gz GQDNUZSASSXGPL-NUJGCVRESA-N 1 3 366.506 0.141 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518738559 490949677 /nfs/dbraw/zinc/94/96/77/490949677.db2.gz ZVJIQKIYMVSCDD-RRFJBIMHSA-N 1 3 352.479 0.302 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000572399869 491367567 /nfs/dbraw/zinc/36/75/67/491367567.db2.gz DIPIPMPVMGUPHH-OAQYLSRUSA-N 1 3 370.497 0.684 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000519643558 490981468 /nfs/dbraw/zinc/98/14/68/490981468.db2.gz SVZGNZYQISZGBI-RDJZCZTQSA-N 1 3 350.507 0.635 20 0 FCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000569721337 491185659 /nfs/dbraw/zinc/18/56/59/491185659.db2.gz OBWVDPKALMHUKB-ZWKOTPCHSA-N 1 3 374.485 0.505 20 0 FCADHO CCn1nc(C)c(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000557603090 491386577 /nfs/dbraw/zinc/38/65/77/491386577.db2.gz STCDVRMLNVQFQS-UHFFFAOYSA-N 1 3 366.510 0.088 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000572699729 491387402 /nfs/dbraw/zinc/38/74/02/491387402.db2.gz KJVVIKQDIVJWQG-QGZVFWFLSA-N 1 3 368.522 0.213 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)CC1 ZINC000572984945 491405581 /nfs/dbraw/zinc/40/55/81/491405581.db2.gz SSCRHXURKMIHSA-JKSUJKDBSA-N 1 3 350.507 0.953 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573132128 491414788 /nfs/dbraw/zinc/41/47/88/491414788.db2.gz JHCKLDIBWYBRIU-IAGOWNOFSA-N 1 3 366.506 0.033 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000573192650 491417771 /nfs/dbraw/zinc/41/77/71/491417771.db2.gz ADRSPPXGCLVWOU-AWEZNQCLSA-N 1 3 368.522 0.591 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000573192650 491417772 /nfs/dbraw/zinc/41/77/72/491417772.db2.gz ADRSPPXGCLVWOU-AWEZNQCLSA-N 1 3 368.522 0.591 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209462 491419356 /nfs/dbraw/zinc/41/93/56/491419356.db2.gz OHVUBKFLHKFVLH-XHSDSOJGSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209462 491419359 /nfs/dbraw/zinc/41/93/59/491419359.db2.gz OHVUBKFLHKFVLH-XHSDSOJGSA-N 1 3 354.495 0.202 20 0 FCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321421 491426418 /nfs/dbraw/zinc/42/64/18/491426418.db2.gz UVNVJLVIKCZFKV-AZUAARDMSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321421 491426421 /nfs/dbraw/zinc/42/64/21/491426421.db2.gz UVNVJLVIKCZFKV-AZUAARDMSA-N 1 3 361.486 0.586 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000566236860 491428847 /nfs/dbraw/zinc/42/88/47/491428847.db2.gz CEFSDMFFNAFHHB-QAPCUYQASA-N 1 3 358.486 0.919 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000573490354 491436611 /nfs/dbraw/zinc/43/66/11/491436611.db2.gz MLMOGFOPYJKYGG-ZIAGYGMSSA-N 1 3 352.454 0.958 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000573505857 491437583 /nfs/dbraw/zinc/43/75/83/491437583.db2.gz DHNMPOWXPRMUGM-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000566496682 491448930 /nfs/dbraw/zinc/44/89/30/491448930.db2.gz SZUAQUZXLWUVCI-ZWKOTPCHSA-N 1 3 356.470 0.669 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(-c2ccccc2)on1 ZINC000573930110 491463555 /nfs/dbraw/zinc/46/35/55/491463555.db2.gz KDTKSJSBYVTUEA-UHFFFAOYSA-N 1 3 373.457 1.232 20 0 FCADHO CCc1nocc1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000567330685 491499898 /nfs/dbraw/zinc/49/98/98/491499898.db2.gz AFDZXBOPOLXCDU-UHFFFAOYSA-N 1 3 353.467 0.147 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567356387 491501716 /nfs/dbraw/zinc/50/17/16/491501716.db2.gz JRQLGPMIUZDUGO-HKUYNNGSSA-N 1 3 352.523 0.805 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574518554 491502522 /nfs/dbraw/zinc/50/25/22/491502522.db2.gz MQTANLLRAZPKPY-JKSUJKDBSA-N 1 3 369.535 0.728 20 0 FCADHO COC[C@@]1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496287 491510164 /nfs/dbraw/zinc/51/01/64/491510164.db2.gz VAXMFPCUGPYXJD-OXQOHEQNSA-N 1 3 374.485 0.949 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000560017803 491515749 /nfs/dbraw/zinc/51/57/49/491515749.db2.gz ZLRLMWOLWWNJBK-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038290 491535147 /nfs/dbraw/zinc/53/51/47/491535147.db2.gz LTEHPTVZIYHRGJ-OLZOCXBDSA-N 1 3 351.417 0.558 20 0 FCADHO COC[C@]1(C(=O)NCc2ccc(OCCN(C)C)c(OC)c2)CC[NH2+]C1 ZINC000567972742 491544329 /nfs/dbraw/zinc/54/43/29/491544329.db2.gz LYOHGPXJJHFPIJ-IBGZPJMESA-N 1 3 365.474 0.878 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400012 491551635 /nfs/dbraw/zinc/55/16/35/491551635.db2.gz HKOIBAAYYZEUQQ-SQNIBIBYSA-N 1 3 371.485 0.303 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820483 491563013 /nfs/dbraw/zinc/56/30/13/491563013.db2.gz BVGVZORJGOYAEZ-IKGGRYGDSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820483 491563014 /nfs/dbraw/zinc/56/30/14/491563014.db2.gz BVGVZORJGOYAEZ-IKGGRYGDSA-N 1 3 366.506 0.347 20 0 FCADHO CN(C)[C@]1(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCSC1 ZINC000561052889 491572901 /nfs/dbraw/zinc/57/29/01/491572901.db2.gz XSBBFWXQFZMZLK-INIZCTEOSA-N 1 3 365.507 0.445 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000576090611 491580895 /nfs/dbraw/zinc/58/08/95/491580895.db2.gz GZWJCRPNPWFJHX-UHFFFAOYSA-N 1 3 362.478 0.643 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000577410635 491620321 /nfs/dbraw/zinc/62/03/21/491620321.db2.gz DDEOVJWVNASZQG-ZWKOTPCHSA-N 1 3 367.534 0.944 20 0 FCADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000576637641 491632060 /nfs/dbraw/zinc/63/20/60/491632060.db2.gz XBSKZLNOTLLTIB-OAHLLOKOSA-N 1 3 360.458 0.801 20 0 FCADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC12CCOCC2 ZINC000576637641 491632064 /nfs/dbraw/zinc/63/20/64/491632064.db2.gz XBSKZLNOTLLTIB-OAHLLOKOSA-N 1 3 360.458 0.801 20 0 FCADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC12CCOCC2 ZINC000576637641 491632068 /nfs/dbraw/zinc/63/20/68/491632068.db2.gz XBSKZLNOTLLTIB-OAHLLOKOSA-N 1 3 360.458 0.801 20 0 FCADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000577919598 491662706 /nfs/dbraw/zinc/66/27/06/491662706.db2.gz IAFAABKSCGONHD-UHFFFAOYSA-N 1 3 363.554 0.544 20 0 FCADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000577919598 491662709 /nfs/dbraw/zinc/66/27/09/491662709.db2.gz IAFAABKSCGONHD-UHFFFAOYSA-N 1 3 363.554 0.544 20 0 FCADHO CN(CCCN(C)Cc1cnc(N2CCN(C)CC2)nc1)CC[NH+](C)C ZINC000577919598 491662712 /nfs/dbraw/zinc/66/27/12/491662712.db2.gz IAFAABKSCGONHD-UHFFFAOYSA-N 1 3 363.554 0.544 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578134758 491670784 /nfs/dbraw/zinc/67/07/84/491670784.db2.gz CKKUPVABXDRIQB-SJLPKXTDSA-N 1 3 372.517 0.835 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000578401914 491676576 /nfs/dbraw/zinc/67/65/76/491676576.db2.gz FVBOCHDHQRGMEG-OAHLLOKOSA-N 1 3 356.511 0.260 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1c1cccc(F)c1 ZINC000578433971 491677206 /nfs/dbraw/zinc/67/72/06/491677206.db2.gz RWYUYMDKOGHLDM-OKZBNKHCSA-N 1 3 374.460 0.776 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCC(=O)NC(=O)NC)CC1 ZINC000578803458 491684860 /nfs/dbraw/zinc/68/48/60/491684860.db2.gz XPJOBIKHXSUJDE-UHFFFAOYSA-N 1 3 369.510 0.392 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000579118919 491691421 /nfs/dbraw/zinc/69/14/21/491691421.db2.gz FNCUXKWYMLMKMW-SFHVURJKSA-N 1 3 360.502 0.863 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000579178245 491692548 /nfs/dbraw/zinc/69/25/48/491692548.db2.gz APALMOZSGJOHCE-GASCZTMLSA-N 1 3 352.479 0.113 20 0 FCADHO CN1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000579227882 491693456 /nfs/dbraw/zinc/69/34/56/491693456.db2.gz LJTWBAZBDMWLEY-LJQANCHMSA-N 1 3 359.518 0.690 20 0 FCADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781705 491714183 /nfs/dbraw/zinc/71/41/83/491714183.db2.gz OOGLTJXPRGIBIX-SJORKVTESA-N 1 3 374.485 0.886 20 0 FCADHO C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CCN(C)CC1 ZINC000580631976 491739237 /nfs/dbraw/zinc/73/92/37/491739237.db2.gz HSGMDPBVZYBYFS-OCCSQVGLSA-N 1 3 363.428 0.772 20 0 FCADHO C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CCN(C)CC1 ZINC000580631968 491739376 /nfs/dbraw/zinc/73/93/76/491739376.db2.gz HSGMDPBVZYBYFS-GXTWGEPZSA-N 1 3 363.428 0.772 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c[nH]c2ncccc12 ZINC000581151722 491761544 /nfs/dbraw/zinc/76/15/44/491761544.db2.gz QYGGCNLRVVKQSJ-UHFFFAOYSA-N 1 3 374.489 0.173 20 0 FCADHO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000581448338 491773281 /nfs/dbraw/zinc/77/32/81/491773281.db2.gz OGFQACCSCFDZKR-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)C1=CC[N@H+](C)CC1 ZINC000581575558 491778504 /nfs/dbraw/zinc/77/85/04/491778504.db2.gz VPWYKSUOKBRRFR-HNNXBMFYSA-N 1 3 362.474 0.936 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)C1=CC[N@@H+](C)CC1 ZINC000581575558 491778506 /nfs/dbraw/zinc/77/85/06/491778506.db2.gz VPWYKSUOKBRRFR-HNNXBMFYSA-N 1 3 362.474 0.936 20 0 FCADHO CN(c1ccccc1CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000581618667 491780150 /nfs/dbraw/zinc/78/01/50/491780150.db2.gz KOYKTDHBHZBAMD-MOPGFXCFSA-N 1 3 371.529 0.961 20 0 FCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581777610 491785895 /nfs/dbraw/zinc/78/58/95/491785895.db2.gz BTZGBINDOIHUBF-JKSUJKDBSA-N 1 3 367.538 0.105 20 0 FCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581777610 491785896 /nfs/dbraw/zinc/78/58/96/491785896.db2.gz BTZGBINDOIHUBF-JKSUJKDBSA-N 1 3 367.538 0.105 20 0 FCADHO COc1cccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000581940538 491791044 /nfs/dbraw/zinc/79/10/44/491791044.db2.gz OYYOJLRAAQWXHH-MSOLQXFVSA-N 1 3 374.485 0.817 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1)Cc1ccco1 ZINC000581938012 491791077 /nfs/dbraw/zinc/79/10/77/491791077.db2.gz WKJTXCOQAUBEOO-OAHLLOKOSA-N 1 3 350.463 0.757 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585255 493364073 /nfs/dbraw/zinc/36/40/73/493364073.db2.gz PHEFXHWJJNDHDP-IAGOWNOFSA-N 1 3 367.538 0.993 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585255 493364075 /nfs/dbraw/zinc/36/40/75/493364075.db2.gz PHEFXHWJJNDHDP-IAGOWNOFSA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028225 491795052 /nfs/dbraw/zinc/79/50/52/491795052.db2.gz GINCNLQPHIQTJN-IIAWOOMASA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028225 491795053 /nfs/dbraw/zinc/79/50/53/491795053.db2.gz GINCNLQPHIQTJN-IIAWOOMASA-N 1 3 350.507 0.964 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000582133964 491799729 /nfs/dbraw/zinc/79/97/29/491799729.db2.gz YIMHPXNWPSZCHC-UHFFFAOYSA-N 1 3 352.504 0.884 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CC1=O ZINC000582244169 491804056 /nfs/dbraw/zinc/80/40/56/491804056.db2.gz OCDYIVUDQYYERG-CYBMUJFWSA-N 1 3 365.503 0.959 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000582740950 491824678 /nfs/dbraw/zinc/82/46/78/491824678.db2.gz HMANQWSPEFJFJK-UHFFFAOYSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467617 491845505 /nfs/dbraw/zinc/84/55/05/491845505.db2.gz JLLVJOMCZZQANO-NVXWUHKLSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467617 491845506 /nfs/dbraw/zinc/84/55/06/491845506.db2.gz JLLVJOMCZZQANO-NVXWUHKLSA-N 1 3 362.518 0.943 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(=O)N(C)C(=O)C3)CC2)CC1 ZINC000583763339 491851633 /nfs/dbraw/zinc/85/16/33/491851633.db2.gz WOQRYZQPLYVIPG-UHFFFAOYSA-N 1 3 350.463 0.010 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583919918 491854702 /nfs/dbraw/zinc/85/47/02/491854702.db2.gz QTRUIAFYPZVPNH-IBGZPJMESA-N 1 3 360.458 0.907 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000584172772 491859993 /nfs/dbraw/zinc/85/99/93/491859993.db2.gz DLXPXVNUOHOQBK-ZIAGYGMSSA-N 1 3 352.454 0.958 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257563 491861853 /nfs/dbraw/zinc/86/18/53/491861853.db2.gz YMUREDJEWZQARK-FPCVCCKLSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257563 491861854 /nfs/dbraw/zinc/86/18/54/491861854.db2.gz YMUREDJEWZQARK-FPCVCCKLSA-N 1 3 350.507 0.964 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000611954458 491885080 /nfs/dbraw/zinc/88/50/80/491885080.db2.gz BSBKEDZJOGUVAO-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000611954458 491885081 /nfs/dbraw/zinc/88/50/81/491885081.db2.gz BSBKEDZJOGUVAO-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCCC1 ZINC000595273703 491910345 /nfs/dbraw/zinc/91/03/45/491910345.db2.gz LPLBNAXXFRFOPI-DLBZAZTESA-N 1 3 365.522 0.985 20 0 FCADHO CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCCC1 ZINC000595273703 491910346 /nfs/dbraw/zinc/91/03/46/491910346.db2.gz LPLBNAXXFRFOPI-DLBZAZTESA-N 1 3 365.522 0.985 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594282 491936159 /nfs/dbraw/zinc/93/61/59/491936159.db2.gz JBXXAAASMWCSCZ-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916539 491958304 /nfs/dbraw/zinc/95/83/04/491958304.db2.gz AXSDZBHDACJDOJ-HUUCEWRRSA-N 1 3 363.510 0.692 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000613422715 491981377 /nfs/dbraw/zinc/98/13/77/491981377.db2.gz JEGVIHOYJMBJDK-SFHVURJKSA-N 1 3 352.523 0.774 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000597460187 492039625 /nfs/dbraw/zinc/03/96/25/492039625.db2.gz ISFXAQHDLMFPEC-QGZVFWFLSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000597460187 492039627 /nfs/dbraw/zinc/03/96/27/492039627.db2.gz ISFXAQHDLMFPEC-QGZVFWFLSA-N 1 3 365.522 0.713 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604640646 492065984 /nfs/dbraw/zinc/06/59/84/492065984.db2.gz YANWOBFUNJWUQU-QGZVFWFLSA-N 1 3 355.527 0.376 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604640646 492065985 /nfs/dbraw/zinc/06/59/85/492065985.db2.gz YANWOBFUNJWUQU-QGZVFWFLSA-N 1 3 355.527 0.376 20 0 FCADHO CN(C)C1(CNC(=O)c2cccc(C(=O)NCC3([NH+](C)C)CC3)c2N)CC1 ZINC000616341259 492126250 /nfs/dbraw/zinc/12/62/50/492126250.db2.gz MXWMVPGQEKXHDY-UHFFFAOYSA-N 1 3 373.501 0.917 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606701249 492127296 /nfs/dbraw/zinc/12/72/96/492127296.db2.gz ZBBNOHQEBOFDKJ-INIZCTEOSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccccc1F ZINC000607236607 492141548 /nfs/dbraw/zinc/14/15/48/492141548.db2.gz XMTYKCDLVLQBTN-UHFFFAOYSA-N 1 3 367.469 0.690 20 0 FCADHO C[NH+](C)C1(CNC(=O)NC2CCN(CCO)CC2)Cc2ccccc2C1 ZINC000608678434 492185873 /nfs/dbraw/zinc/18/58/73/492185873.db2.gz VSHAVASSPUFCCN-UHFFFAOYSA-N 1 3 360.502 0.842 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000608700192 492188066 /nfs/dbraw/zinc/18/80/66/492188066.db2.gz VWQFFFCLOMONQC-UHFFFAOYSA-N 1 3 362.540 0.477 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000619900057 492282493 /nfs/dbraw/zinc/28/24/93/492282493.db2.gz RMEIYEXFZBHRCT-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1 ZINC000619900057 492282495 /nfs/dbraw/zinc/28/24/95/492282495.db2.gz RMEIYEXFZBHRCT-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642104454 492334819 /nfs/dbraw/zinc/33/48/19/492334819.db2.gz UNPXXTMSGFYWQM-SQNIBIBYSA-N 1 3 358.486 0.486 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000642254036 492345482 /nfs/dbraw/zinc/34/54/82/492345482.db2.gz ZYOBDBGWUPOXPN-MSOLQXFVSA-N 1 3 358.486 0.883 20 0 FCADHO CN(CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642302690 492349608 /nfs/dbraw/zinc/34/96/08/492349608.db2.gz VDCNYJPTTJRASR-MSOLQXFVSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642330446 492352255 /nfs/dbraw/zinc/35/22/55/492352255.db2.gz KIEYYADTZMATMP-PMPSAXMXSA-N 1 3 350.507 0.824 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105064 492356443 /nfs/dbraw/zinc/35/64/43/492356443.db2.gz KPKLTDKCSJQXFQ-IAGOWNOFSA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105064 492356447 /nfs/dbraw/zinc/35/64/47/492356447.db2.gz KPKLTDKCSJQXFQ-IAGOWNOFSA-N 1 3 350.507 0.635 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000642439521 492358096 /nfs/dbraw/zinc/35/80/96/492358096.db2.gz KITWCMPKWGOPDH-OAHLLOKOSA-N 1 3 354.495 0.333 20 0 FCADHO CN1CCN(C(=O)CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634705223 492361853 /nfs/dbraw/zinc/36/18/53/492361853.db2.gz WSSNCDPUWXDDAC-FQEVSTJZSA-N 1 3 360.502 0.377 20 0 FCADHO CN1CCN(C(=O)CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634705223 492361857 /nfs/dbraw/zinc/36/18/57/492361857.db2.gz WSSNCDPUWXDDAC-FQEVSTJZSA-N 1 3 360.502 0.377 20 0 FCADHO CN1CCN(C(=O)CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634705223 492361860 /nfs/dbraw/zinc/36/18/60/492361860.db2.gz WSSNCDPUWXDDAC-FQEVSTJZSA-N 1 3 360.502 0.377 20 0 FCADHO CN1CCN(C(=O)CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634705224 492362261 /nfs/dbraw/zinc/36/22/61/492362261.db2.gz WSSNCDPUWXDDAC-HXUWFJFHSA-N 1 3 360.502 0.377 20 0 FCADHO CN1CCN(C(=O)CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634705224 492362265 /nfs/dbraw/zinc/36/22/65/492362265.db2.gz WSSNCDPUWXDDAC-HXUWFJFHSA-N 1 3 360.502 0.377 20 0 FCADHO CN1CCN(C(=O)CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634705224 492362268 /nfs/dbraw/zinc/36/22/68/492362268.db2.gz WSSNCDPUWXDDAC-HXUWFJFHSA-N 1 3 360.502 0.377 20 0 FCADHO CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000647816551 492365359 /nfs/dbraw/zinc/36/53/59/492365359.db2.gz XOSXEGALYPNLJP-UHFFFAOYSA-N 1 3 368.503 0.067 20 0 FCADHO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCNCC1 ZINC000647816551 492365362 /nfs/dbraw/zinc/36/53/62/492365362.db2.gz XOSXEGALYPNLJP-UHFFFAOYSA-N 1 3 368.503 0.067 20 0 FCADHO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCNCC1 ZINC000647816551 492365366 /nfs/dbraw/zinc/36/53/66/492365366.db2.gz XOSXEGALYPNLJP-UHFFFAOYSA-N 1 3 368.503 0.067 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000642640890 492369094 /nfs/dbraw/zinc/36/90/94/492369094.db2.gz IWMVLRBTUUDWRN-SFHVURJKSA-N 1 3 374.485 0.262 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976678 492390645 /nfs/dbraw/zinc/39/06/45/492390645.db2.gz RVZAHGCPERDCCS-OIISXLGYSA-N 1 3 350.507 0.810 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642806196 492395621 /nfs/dbraw/zinc/39/56/21/492395621.db2.gz KEFWJZPIKIMEAD-AWEZNQCLSA-N 1 3 354.495 0.250 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000642801803 492395824 /nfs/dbraw/zinc/39/58/24/492395824.db2.gz FNMAXHZHPSHMHO-YJBOKZPZSA-N 1 3 374.485 0.342 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887403 492397730 /nfs/dbraw/zinc/39/77/30/492397730.db2.gz SZJGHUCNVLBFKR-HPBDAGMYSA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1F ZINC000642887403 492397731 /nfs/dbraw/zinc/39/77/31/492397731.db2.gz SZJGHUCNVLBFKR-HPBDAGMYSA-N 1 3 374.460 0.822 20 0 FCADHO CN(C)[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096236 492402641 /nfs/dbraw/zinc/40/26/41/492402641.db2.gz PUBIHJQQQADJNV-BJLQDIEVSA-N 1 3 361.486 0.537 20 0 FCADHO CN(C)[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000655096236 492402643 /nfs/dbraw/zinc/40/26/43/492402643.db2.gz PUBIHJQQQADJNV-BJLQDIEVSA-N 1 3 361.486 0.537 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838028 492421544 /nfs/dbraw/zinc/42/15/44/492421544.db2.gz WMHGSGJBEDWFSX-ZWOKBUDYSA-N 1 3 358.486 0.615 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621841267 492422946 /nfs/dbraw/zinc/42/29/46/492422946.db2.gz SPQRWMWHBXAGLC-OXQOHEQNSA-N 1 3 374.485 0.583 20 0 FCADHO Cc1coc(CC(=O)NC[C@@H](C)[NH+](C)C)c1C(=O)NC[C@@H](C)N(C)C ZINC000635255283 492423667 /nfs/dbraw/zinc/42/36/67/492423667.db2.gz PIHDRXPENVAZPY-ZIAGYGMSSA-N 1 3 352.479 0.877 20 0 FCADHO Cc1coc(CC(=O)NC[C@@H](C)N(C)C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000635255283 492423670 /nfs/dbraw/zinc/42/36/70/492423670.db2.gz PIHDRXPENVAZPY-ZIAGYGMSSA-N 1 3 352.479 0.877 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845683 492426001 /nfs/dbraw/zinc/42/60/01/492426001.db2.gz NQNICEDFZIZREH-KUHUBIRLSA-N 1 3 366.506 0.332 20 0 FCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)CN3CCOCC3)C2)CC1 ZINC000635551279 492468579 /nfs/dbraw/zinc/46/85/79/492468579.db2.gz KYLHGMGRNNGVOZ-INIZCTEOSA-N 1 3 352.523 0.630 20 0 FCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)CN3CCOCC3)C2)CC1 ZINC000635551279 492468580 /nfs/dbraw/zinc/46/85/80/492468580.db2.gz KYLHGMGRNNGVOZ-INIZCTEOSA-N 1 3 352.523 0.630 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(C)(C)CN3CCOCC3)C2)CC1 ZINC000635551279 492468581 /nfs/dbraw/zinc/46/85/81/492468581.db2.gz KYLHGMGRNNGVOZ-INIZCTEOSA-N 1 3 352.523 0.630 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C[C@H]21 ZINC000643478978 492475218 /nfs/dbraw/zinc/47/52/18/492475218.db2.gz YBBXFEWEMRNQEL-DJIMGWMZSA-N 1 3 357.458 0.316 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)o1 ZINC000643494318 492481301 /nfs/dbraw/zinc/48/13/01/492481301.db2.gz QIUUZQVHILCFEG-HOCLYGCPSA-N 1 3 366.462 0.053 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000643500316 492483061 /nfs/dbraw/zinc/48/30/61/492483061.db2.gz BTOVXMYCGSYXQX-QGZVFWFLSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504143 492483873 /nfs/dbraw/zinc/48/38/73/492483873.db2.gz FTXNCJLXODNBOC-BZSNNMDCSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CCO1 ZINC000643524296 492490300 /nfs/dbraw/zinc/49/03/00/492490300.db2.gz DWMFXAHVUOBTGQ-HIFRSBDPSA-N 1 3 368.503 0.213 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643544151 492495507 /nfs/dbraw/zinc/49/55/07/492495507.db2.gz RMAZXDWZFGIZIB-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)cc2C1 ZINC000655958931 492497916 /nfs/dbraw/zinc/49/79/16/492497916.db2.gz PMSHWKIRQNGQDA-JLSDUUJJSA-N 1 3 371.485 0.969 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccco1 ZINC000643590319 492501671 /nfs/dbraw/zinc/50/16/71/492501671.db2.gz OHWVFFNSHNVNBH-RDJZCZTQSA-N 1 3 362.474 0.770 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028692 492521220 /nfs/dbraw/zinc/52/12/20/492521220.db2.gz OTGUKGLILHLKQA-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)N(C)C)N(C)C ZINC000635922048 492528447 /nfs/dbraw/zinc/52/84/47/492528447.db2.gz QOIKBHFGZCQJAC-IAGOWNOFSA-N 1 3 369.554 0.317 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc21 ZINC000635948331 492533486 /nfs/dbraw/zinc/53/34/86/492533486.db2.gz LJUCSFGJGNBYRH-HOTGVXAUSA-N 1 3 361.446 0.050 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347333 492543106 /nfs/dbraw/zinc/54/31/06/492543106.db2.gz QWZQVIZALSPIJT-GJZGRUSLSA-N 1 3 360.458 0.601 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000643782058 492557141 /nfs/dbraw/zinc/55/71/41/492557141.db2.gz XVSKABUJRLULSK-INIZCTEOSA-N 1 3 355.446 0.854 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656299092 492577631 /nfs/dbraw/zinc/57/76/31/492577631.db2.gz XAHNSNQWMGDNES-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656299092 492577634 /nfs/dbraw/zinc/57/76/34/492577634.db2.gz XAHNSNQWMGDNES-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCSC1 ZINC000656299369 492577704 /nfs/dbraw/zinc/57/77/04/492577704.db2.gz RGVHJKHMBUNZJP-DAYGRLMNSA-N 1 3 368.547 0.673 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357580 492611409 /nfs/dbraw/zinc/61/14/09/492611409.db2.gz ZMLLTTGCJXWWCG-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357580 492611412 /nfs/dbraw/zinc/61/14/12/492611412.db2.gz ZMLLTTGCJXWWCG-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629793570 492674248 /nfs/dbraw/zinc/67/42/48/492674248.db2.gz FZBVCSZFLHYFCX-QWHCGFSZSA-N 1 3 364.412 0.526 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629796788 492676692 /nfs/dbraw/zinc/67/66/92/492676692.db2.gz SNBOSQKXSZABFW-YNEHKIRRSA-N 1 3 364.412 0.525 20 0 FCADHO CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000629807746 492682240 /nfs/dbraw/zinc/68/22/40/492682240.db2.gz DAGXDGRMVKYOKC-ZWKOTPCHSA-N 1 3 374.485 0.153 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630889248 492781832 /nfs/dbraw/zinc/78/18/32/492781832.db2.gz KESGAUSOKABCDY-MRXNPFEDSA-N 1 3 364.494 0.117 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630926576 492785292 /nfs/dbraw/zinc/78/52/92/492785292.db2.gz YRCJSXAAYMHMCW-UHFFFAOYSA-N 1 3 364.494 0.071 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657874466 492808342 /nfs/dbraw/zinc/80/83/42/492808342.db2.gz VJWUHPVXDDOYBY-KRWDZBQOSA-N 1 3 359.474 0.673 20 0 FCADHO CCN1CCN(C[C@@H](C)CNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632032067 492915082 /nfs/dbraw/zinc/91/50/82/492915082.db2.gz SAIHUQRIFIRTNO-KRWDZBQOSA-N 1 3 360.568 0.665 20 0 FCADHO CCN1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652363177 492916274 /nfs/dbraw/zinc/91/62/74/492916274.db2.gz ZNTFFLUYKXQZDZ-JQHSSLGASA-N 1 3 352.523 0.948 20 0 FCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000638141423 492916657 /nfs/dbraw/zinc/91/66/57/492916657.db2.gz UHTMOJIPFZJGTQ-HKUYNNGSSA-N 1 3 361.490 0.477 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000652390335 492922590 /nfs/dbraw/zinc/92/25/90/492922590.db2.gz JKJNKJNYNYEXPJ-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000652424418 492928061 /nfs/dbraw/zinc/92/80/61/492928061.db2.gz LZNCJZFXIWBRNI-KRWDZBQOSA-N 1 3 368.522 0.500 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3CCCO[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638343000 492938041 /nfs/dbraw/zinc/93/80/41/492938041.db2.gz JSKJAHQWONIFPX-CQSZACIVSA-N 1 3 361.446 0.493 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000652547508 492966872 /nfs/dbraw/zinc/96/68/72/492966872.db2.gz LJFKHISOHFJCSS-LJQANCHMSA-N 1 3 350.507 0.875 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000652547508 492966878 /nfs/dbraw/zinc/96/68/78/492966878.db2.gz LJFKHISOHFJCSS-LJQANCHMSA-N 1 3 350.507 0.875 20 0 FCADHO CN(C)CCn1cc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000652612063 492971397 /nfs/dbraw/zinc/97/13/97/492971397.db2.gz GTPLIUXNUOOHGX-AWEZNQCLSA-N 1 3 350.467 0.664 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000652624758 492972793 /nfs/dbraw/zinc/97/27/93/492972793.db2.gz OAQFGHCLUWZFQH-KRWDZBQOSA-N 1 3 372.473 0.980 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638835999 492981346 /nfs/dbraw/zinc/98/13/46/492981346.db2.gz PPMHQOKZLIDERA-AYBZRNKSSA-N 1 3 360.502 0.970 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638835999 492981350 /nfs/dbraw/zinc/98/13/50/492981350.db2.gz PPMHQOKZLIDERA-AYBZRNKSSA-N 1 3 360.502 0.970 20 0 FCADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652673711 492984834 /nfs/dbraw/zinc/98/48/34/492984834.db2.gz YSQOENVWSLGNBR-WRQOLXDDSA-N 1 3 368.522 0.291 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)nn1 ZINC000638904369 492985096 /nfs/dbraw/zinc/98/50/96/492985096.db2.gz JXXJPKJTTQUBSC-MRXNPFEDSA-N 1 3 362.478 0.545 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724597 493004180 /nfs/dbraw/zinc/00/41/80/493004180.db2.gz GZANOZDYVCWSIR-INIZCTEOSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652733949 493011068 /nfs/dbraw/zinc/01/10/68/493011068.db2.gz VDPAMBOAJIFWIF-VVLHAWIVSA-N 1 3 366.506 0.284 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000652737326 493013294 /nfs/dbraw/zinc/01/32/94/493013294.db2.gz GOKWDQCGIIRHNQ-MRXNPFEDSA-N 1 3 366.506 0.145 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000652737935 493014097 /nfs/dbraw/zinc/01/40/97/493014097.db2.gz ZSAKFAJZFAQOCA-KRWDZBQOSA-N 1 3 350.507 0.779 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000652737936 493014283 /nfs/dbraw/zinc/01/42/83/493014283.db2.gz ZSAKFAJZFAQOCA-QGZVFWFLSA-N 1 3 350.507 0.779 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000626853372 493037459 /nfs/dbraw/zinc/03/74/59/493037459.db2.gz XRHDEDKJSWYRTF-UHFFFAOYSA-N 1 3 361.490 0.963 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000653181309 493081660 /nfs/dbraw/zinc/08/16/60/493081660.db2.gz DOPIYMAKHFFEGS-WCVJEAGWSA-N 1 3 352.479 0.071 20 0 FCADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000627251318 493117141 /nfs/dbraw/zinc/11/71/41/493117141.db2.gz GFEQADRYCZEVBC-MOPGFXCFSA-N 1 3 357.502 0.950 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633100016 493125348 /nfs/dbraw/zinc/12/53/48/493125348.db2.gz DVMWQOFESNXNOG-HOTGVXAUSA-N 1 3 360.458 0.158 20 0 FCADHO CC[NH+]1CCC(NC(=O)Cn2cc(COc3ccccc3CN)nn2)CC1 ZINC000640867188 493139378 /nfs/dbraw/zinc/13/93/78/493139378.db2.gz PAUOSLBHEUTHNY-UHFFFAOYSA-N 1 3 372.473 0.916 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000627325299 493153888 /nfs/dbraw/zinc/15/38/88/493153888.db2.gz DZTJEMHPBHGBPD-UHFFFAOYSA-N 1 3 352.504 0.884 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091758 493161423 /nfs/dbraw/zinc/16/14/23/493161423.db2.gz HKOIBAAYYZEUQQ-RCCFBDPRSA-N 1 3 371.485 0.303 20 0 FCADHO CN1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000627368539 493182809 /nfs/dbraw/zinc/18/28/09/493182809.db2.gz XHUKAWUNKXHERU-UMVBOHGHSA-N 1 3 350.488 0.725 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)N(C)C1CC1 ZINC000627372323 493184298 /nfs/dbraw/zinc/18/42/98/493184298.db2.gz JYVBAYWFKRJVEZ-NQBHXWOUSA-N 1 3 364.412 0.571 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@H+](C)C3CC3)nn2)c1 ZINC000641222883 493184369 /nfs/dbraw/zinc/18/43/69/493184369.db2.gz OHJQPFBPVRKSHK-MRXNPFEDSA-N 1 3 358.446 0.558 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@H](O)C[N@@H+](C)C3CC3)nn2)c1 ZINC000641222883 493184374 /nfs/dbraw/zinc/18/43/74/493184374.db2.gz OHJQPFBPVRKSHK-MRXNPFEDSA-N 1 3 358.446 0.558 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)c(C)c2)CC1 ZINC000659291744 493184727 /nfs/dbraw/zinc/18/47/27/493184727.db2.gz QPDXTNRFKQGMKU-UHFFFAOYSA-N 1 3 357.462 0.939 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659470733 493188970 /nfs/dbraw/zinc/18/89/70/493188970.db2.gz IKVYAHUYMDKLAH-CYBMUJFWSA-N 1 3 350.467 0.808 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659470733 493188974 /nfs/dbraw/zinc/18/89/74/493188974.db2.gz IKVYAHUYMDKLAH-CYBMUJFWSA-N 1 3 350.467 0.808 20 0 FCADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000681765321 493215547 /nfs/dbraw/zinc/21/55/47/493215547.db2.gz NRTOXEUOYZVRKT-PZJWPPBQSA-N 1 3 372.513 0.472 20 0 FCADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000681765321 493215550 /nfs/dbraw/zinc/21/55/50/493215550.db2.gz NRTOXEUOYZVRKT-PZJWPPBQSA-N 1 3 372.513 0.472 20 0 FCADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000681765320 493215609 /nfs/dbraw/zinc/21/56/09/493215609.db2.gz NRTOXEUOYZVRKT-FPOVZHCZSA-N 1 3 372.513 0.472 20 0 FCADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000681765320 493215613 /nfs/dbraw/zinc/21/56/13/493215613.db2.gz NRTOXEUOYZVRKT-FPOVZHCZSA-N 1 3 372.513 0.472 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631163 493225445 /nfs/dbraw/zinc/22/54/45/493225445.db2.gz ANRYZIHGZHYSNR-AWEZNQCLSA-N 1 3 366.466 0.283 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)[C@H](CN)C1 ZINC000659679608 493248074 /nfs/dbraw/zinc/24/80/74/493248074.db2.gz MARZZUGGCLKTGV-IWCQGFGOSA-N 1 3 366.506 0.066 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000659700173 493261595 /nfs/dbraw/zinc/26/15/95/493261595.db2.gz CRLIZGDJOILEDY-GZBFAFLISA-N 1 3 352.504 0.971 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659708310 493266035 /nfs/dbraw/zinc/26/60/35/493266035.db2.gz PXMWQTAMWABSFI-CABCVRRESA-N 1 3 368.522 0.578 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659726906 493274690 /nfs/dbraw/zinc/27/46/90/493274690.db2.gz COMKPAWNYREGOK-SFHVURJKSA-N 1 3 373.501 0.620 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H]1[NH3+] ZINC000659729128 493276276 /nfs/dbraw/zinc/27/62/76/493276276.db2.gz NIEDOGLHOSRERG-RHSMWYFYSA-N 1 3 359.474 0.215 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCCO1 ZINC000659734736 493278706 /nfs/dbraw/zinc/27/87/06/493278706.db2.gz BRKQLNDRFUSVMR-HOCLYGCPSA-N 1 3 352.479 0.086 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCO1 ZINC000659738028 493279819 /nfs/dbraw/zinc/27/98/19/493279819.db2.gz YARHFAGVVKMMAY-LZWOXQAQSA-N 1 3 352.479 0.084 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659738446 493279867 /nfs/dbraw/zinc/27/98/67/493279867.db2.gz DUMYRVYEOXLAGP-LUKYLMHMSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000667536580 493288965 /nfs/dbraw/zinc/28/89/65/493288965.db2.gz CZIHBKDIWCMPLU-YOEHRIQHSA-N 1 3 360.458 0.776 20 0 FCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000668538066 493372853 /nfs/dbraw/zinc/37/28/53/493372853.db2.gz SHWUJDKNAUPNJX-MRXNPFEDSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+](C)C1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCOCC1 ZINC000660710290 493374802 /nfs/dbraw/zinc/37/48/02/493374802.db2.gz MCMNNMBBAIUPRB-MRXNPFEDSA-N 1 3 354.495 0.650 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668624932 493386156 /nfs/dbraw/zinc/38/61/56/493386156.db2.gz CXZUQGZGYWKPML-HOCLYGCPSA-N 1 3 354.495 0.202 20 0 FCADHO COc1cc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cc(OC)c1O ZINC000684047439 493390140 /nfs/dbraw/zinc/39/01/40/493390140.db2.gz CAZQAEUQIBZYHV-UHFFFAOYSA-N 1 3 353.463 0.904 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000668893143 493430643 /nfs/dbraw/zinc/43/06/43/493430643.db2.gz MXUWFYXJAVRRCG-YOEHRIQHSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000669220136 493478502 /nfs/dbraw/zinc/47/85/02/493478502.db2.gz GBJISGAQBONVBU-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000669220136 493478507 /nfs/dbraw/zinc/47/85/07/493478507.db2.gz GBJISGAQBONVBU-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252448 493483361 /nfs/dbraw/zinc/48/33/61/493483361.db2.gz LMJXWXBMGUSFEE-HZPDHXFCSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252448 493483365 /nfs/dbraw/zinc/48/33/65/493483365.db2.gz LMJXWXBMGUSFEE-HZPDHXFCSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252446 493483707 /nfs/dbraw/zinc/48/37/07/493483707.db2.gz LMJXWXBMGUSFEE-CVEARBPZSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252446 493483710 /nfs/dbraw/zinc/48/37/10/493483710.db2.gz LMJXWXBMGUSFEE-CVEARBPZSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CCO1 ZINC000669426358 493502960 /nfs/dbraw/zinc/50/29/60/493502960.db2.gz WKJZNWYFYMBYNV-YOEHRIQHSA-N 1 3 350.463 0.885 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000669452559 493504339 /nfs/dbraw/zinc/50/43/39/493504339.db2.gz SHYDDODJHSZYEL-WMZOPIPTSA-N 1 3 373.501 0.871 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000669529897 493509011 /nfs/dbraw/zinc/50/90/11/493509011.db2.gz ICEVRWZIUILBCE-HZPDHXFCSA-N 1 3 353.511 0.890 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000676001468 493517866 /nfs/dbraw/zinc/51/78/66/493517866.db2.gz KIBVWBZSQAWTOH-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCNC2 ZINC000662559948 493526028 /nfs/dbraw/zinc/52/60/28/493526028.db2.gz CGYCUKHNRKIINV-CYBMUJFWSA-N 1 3 350.488 0.854 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000676166728 493528604 /nfs/dbraw/zinc/52/86/04/493528604.db2.gz DKLNSNRPTWCNPB-QZTJIDSGSA-N 1 3 368.522 0.774 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757711 493539063 /nfs/dbraw/zinc/53/90/63/493539063.db2.gz LRHNOMNDGGXYLU-HZPDHXFCSA-N 1 3 363.510 0.349 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842584 493546014 /nfs/dbraw/zinc/54/60/14/493546014.db2.gz PXKJTLNPXMHKNQ-IRXDYDNUSA-N 1 3 350.507 0.635 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000662867070 493548380 /nfs/dbraw/zinc/54/83/80/493548380.db2.gz RYNOQBHJTJLIQS-INMHGKMJSA-N 1 3 350.438 0.487 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1=O ZINC000662868065 493548415 /nfs/dbraw/zinc/54/84/15/493548415.db2.gz SPVNZKDJOWDAHZ-KZNAEPCWSA-N 1 3 358.486 0.658 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000662953551 493560091 /nfs/dbraw/zinc/56/00/91/493560091.db2.gz KHAKSASESKBNSK-ROUUACIJSA-N 1 3 358.486 0.569 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662954223 493560547 /nfs/dbraw/zinc/56/05/47/493560547.db2.gz SXMVTPAQIGVTBY-WDSOQIARSA-N 1 3 372.513 0.958 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000670509456 493576131 /nfs/dbraw/zinc/57/61/31/493576131.db2.gz BYJVOVXMTBPOKM-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CCOc1ccc(N2CCN(C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)nn1 ZINC000663506675 493593275 /nfs/dbraw/zinc/59/32/75/493593275.db2.gz NNJDETCYXYEGGB-OAHLLOKOSA-N 1 3 362.478 0.195 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000670983748 493619873 /nfs/dbraw/zinc/61/98/73/493619873.db2.gz JJZIWPNCCCHHNQ-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000670983748 493619875 /nfs/dbraw/zinc/61/98/75/493619875.db2.gz JJZIWPNCCCHHNQ-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000670983749 493619997 /nfs/dbraw/zinc/61/99/97/493619997.db2.gz JJZIWPNCCCHHNQ-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000670983749 493620000 /nfs/dbraw/zinc/62/00/00/493620000.db2.gz JJZIWPNCCCHHNQ-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663892664 493623754 /nfs/dbraw/zinc/62/37/54/493623754.db2.gz LKIIXYNRXLQNQN-UHFFFAOYSA-N 1 3 355.527 0.912 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000671103792 493634320 /nfs/dbraw/zinc/63/43/20/493634320.db2.gz IYVMTPAHELBXIW-BRWVUGGUSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000671103792 493634323 /nfs/dbraw/zinc/63/43/23/493634323.db2.gz IYVMTPAHELBXIW-BRWVUGGUSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671104239 493634433 /nfs/dbraw/zinc/63/44/33/493634433.db2.gz SSZVMCOKIMJPPA-CVEARBPZSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671104239 493634436 /nfs/dbraw/zinc/63/44/36/493634436.db2.gz SSZVMCOKIMJPPA-CVEARBPZSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108381 493636704 /nfs/dbraw/zinc/63/67/04/493636704.db2.gz XTPUUIWRUAQBTC-YYIAUSFCSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108381 493636705 /nfs/dbraw/zinc/63/67/05/493636705.db2.gz XTPUUIWRUAQBTC-YYIAUSFCSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)[NH+]1CCCCC1 ZINC000664643748 493675174 /nfs/dbraw/zinc/67/51/74/493675174.db2.gz XAJOSLQUKAZDQL-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000665054624 493697260 /nfs/dbraw/zinc/69/72/60/493697260.db2.gz BMBSLQHVBAMHSW-UHFFFAOYSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680011862 493705203 /nfs/dbraw/zinc/70/52/03/493705203.db2.gz GVCLDGHRCZKHFQ-WMZOPIPTSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680011862 493705205 /nfs/dbraw/zinc/70/52/05/493705205.db2.gz GVCLDGHRCZKHFQ-WMZOPIPTSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680011862 493705207 /nfs/dbraw/zinc/70/52/07/493705207.db2.gz GVCLDGHRCZKHFQ-WMZOPIPTSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000680011373 493705249 /nfs/dbraw/zinc/70/52/49/493705249.db2.gz YQJNYAHNSFBXJI-MRXNPFEDSA-N 1 3 352.523 0.630 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271270 493707989 /nfs/dbraw/zinc/70/79/89/493707989.db2.gz KNGSOEKUZSDMIA-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271270 493707990 /nfs/dbraw/zinc/70/79/90/493707990.db2.gz KNGSOEKUZSDMIA-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000672010707 493723987 /nfs/dbraw/zinc/72/39/87/493723987.db2.gz OQYNHKVJDJZZPI-HNNXBMFYSA-N 1 3 359.474 0.577 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010757 493724329 /nfs/dbraw/zinc/72/43/29/493724329.db2.gz DUVCRZDLJOIKTQ-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010755 493724353 /nfs/dbraw/zinc/72/43/53/493724353.db2.gz DUVCRZDLJOIKTQ-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C(=O)NCCN1CCSCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681218270 493752221 /nfs/dbraw/zinc/75/22/21/493752221.db2.gz JMHSPKFTPCPZBP-QGZVFWFLSA-N 1 3 369.579 0.845 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304045 493752319 /nfs/dbraw/zinc/75/23/19/493752319.db2.gz FXTGUIHMWUGUQB-SJORKVTESA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304045 493752322 /nfs/dbraw/zinc/75/23/22/493752322.db2.gz FXTGUIHMWUGUQB-SJORKVTESA-N 1 3 350.507 0.681 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672308021 493753534 /nfs/dbraw/zinc/75/35/34/493753534.db2.gz WLMCRBSSFMLWSP-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672308021 493753535 /nfs/dbraw/zinc/75/35/35/493753535.db2.gz WLMCRBSSFMLWSP-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411534948 533729122 /nfs/dbraw/zinc/72/91/22/533729122.db2.gz PEJFBLPDXQIMTD-LBPRGKRZSA-N 1 3 354.426 0.771 20 0 FCADHO CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410694449 527843800 /nfs/dbraw/zinc/84/38/00/527843800.db2.gz CBQWGPVIZGYIEA-QGZVFWFLSA-N 1 3 369.554 0.127 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000410483022 528139528 /nfs/dbraw/zinc/13/95/28/528139528.db2.gz CLPDTTYYRJOTPH-MRXNPFEDSA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000410434814 528282125 /nfs/dbraw/zinc/28/21/25/528282125.db2.gz PELGPIXWXIELDY-DLBZAZTESA-N 1 3 368.522 0.498 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782093 529070957 /nfs/dbraw/zinc/07/09/57/529070957.db2.gz KWKNUWWHUKSMAA-OAHLLOKOSA-N 1 3 374.493 0.682 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782093 529070962 /nfs/dbraw/zinc/07/09/62/529070962.db2.gz KWKNUWWHUKSMAA-OAHLLOKOSA-N 1 3 374.493 0.682 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000419535003 536542659 /nfs/dbraw/zinc/54/26/59/536542659.db2.gz KPNMAQJCQBSDDK-KRWDZBQOSA-N 1 3 368.522 0.627 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419695578 535072236 /nfs/dbraw/zinc/07/22/36/535072236.db2.gz LAHDWQDVRZPFFK-HZPDHXFCSA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419688440 535072541 /nfs/dbraw/zinc/07/25/41/535072541.db2.gz AQAJMHNFOVLMLV-BRWVUGGUSA-N 1 3 350.507 0.681 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419591400 535478799 /nfs/dbraw/zinc/47/87/99/535478799.db2.gz QZDXXDHCJZLHBI-FGTMMUONSA-N 1 3 358.486 0.930 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419945038 535597597 /nfs/dbraw/zinc/59/75/97/535597597.db2.gz BWPMGHCGVNXXCN-WBVHZDCISA-N 1 3 361.490 0.606 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419829365 535710472 /nfs/dbraw/zinc/71/04/72/535710472.db2.gz PRSODWHDZVFDMY-WBVHZDCISA-N 1 3 367.538 0.010 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423368784 535867009 /nfs/dbraw/zinc/86/70/09/535867009.db2.gz NNZDOQLCYWSEPJ-BHYGNILZSA-N 1 3 362.474 0.756 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423361998 535868962 /nfs/dbraw/zinc/86/89/62/535868962.db2.gz HMGJSAIWJCXVLM-CABCVRRESA-N 1 3 364.515 0.706 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419773074 535895034 /nfs/dbraw/zinc/89/50/34/535895034.db2.gz IPLJRQJGWYHMCE-JKSUJKDBSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586175 536140413 /nfs/dbraw/zinc/14/04/13/536140413.db2.gz NXELNYQTAWUWAP-DYVFJYSZSA-N 1 3 356.536 0.434 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCSC1 ZINC000414919217 536141708 /nfs/dbraw/zinc/14/17/08/536141708.db2.gz UJLLEEKSTXJCLI-SFHVURJKSA-N 1 3 362.499 0.824 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442601524 536347720 /nfs/dbraw/zinc/34/77/20/536347720.db2.gz RJXXXAWISOCGIW-UHFFFAOYSA-N 1 3 368.570 0.291 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442601524 536347724 /nfs/dbraw/zinc/34/77/24/536347724.db2.gz RJXXXAWISOCGIW-UHFFFAOYSA-N 1 3 368.570 0.291 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419771519 536481201 /nfs/dbraw/zinc/48/12/01/536481201.db2.gz XSOHOMBHNVKKCX-ROUUACIJSA-N 1 3 358.486 0.867 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000419786856 536481554 /nfs/dbraw/zinc/48/15/54/536481554.db2.gz ZJDDBOYCOHPHIU-MSOLQXFVSA-N 1 3 358.486 0.881 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000423721122 536776120 /nfs/dbraw/zinc/77/61/20/536776120.db2.gz ONZCZOVUTCHGAP-OAHLLOKOSA-N 1 3 356.511 0.389 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000423721122 536776124 /nfs/dbraw/zinc/77/61/24/536776124.db2.gz ONZCZOVUTCHGAP-OAHLLOKOSA-N 1 3 356.511 0.389 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715689 546928648 /nfs/dbraw/zinc/92/86/48/546928648.db2.gz JXMPXUTUCIJIRF-SJORKVTESA-N 1 3 356.511 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715689 546928651 /nfs/dbraw/zinc/92/86/51/546928651.db2.gz JXMPXUTUCIJIRF-SJORKVTESA-N 1 3 356.511 0.633 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550903874 547114041 /nfs/dbraw/zinc/11/40/41/547114041.db2.gz LARHLENHJVOUFE-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550903874 547114046 /nfs/dbraw/zinc/11/40/46/547114046.db2.gz LARHLENHJVOUFE-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000551214907 547134162 /nfs/dbraw/zinc/13/41/62/547134162.db2.gz IPIUEMVUZSDVSS-WMLDXEAASA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCSC1 ZINC000551216967 547135910 /nfs/dbraw/zinc/13/59/10/547135910.db2.gz GNWMGBYSOHQLKL-CRAIPNDOSA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCSC1 ZINC000551216967 547135913 /nfs/dbraw/zinc/13/59/13/547135913.db2.gz GNWMGBYSOHQLKL-CRAIPNDOSA-N 1 3 370.563 0.873 20 0 FCADHO CCCC[NH+]1CCC(Nc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000552993055 547245063 /nfs/dbraw/zinc/24/50/63/547245063.db2.gz KUJVSNHFTGLJOO-UHFFFAOYSA-N 1 3 351.499 0.038 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000141475282 568295621 /nfs/dbraw/zinc/29/56/21/568295621.db2.gz NNUPQKFPAQIOLV-IAGOWNOFSA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000141475282 568295622 /nfs/dbraw/zinc/29/56/22/568295622.db2.gz NNUPQKFPAQIOLV-IAGOWNOFSA-N 1 3 363.506 0.419 20 0 FCADHO COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1-c1nnn[n-]1 ZINC000821805900 599401716 /nfs/dbraw/zinc/40/17/16/599401716.db2.gz XNDRRPSEZNDTDH-UHFFFAOYSA-N 1 3 359.478 0.991 20 0 FCADHO COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1-c1nn[n-]n1 ZINC000821805900 599401718 /nfs/dbraw/zinc/40/17/18/599401718.db2.gz XNDRRPSEZNDTDH-UHFFFAOYSA-N 1 3 359.478 0.991 20 0 FCADHO CC[NH+]1CCC(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821242493 599448737 /nfs/dbraw/zinc/44/87/37/599448737.db2.gz TVXNFXJGDDWPJZ-CQSZACIVSA-N 1 3 359.482 0.817 20 0 FCADHO CC[NH+]1CCC(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821242493 599448739 /nfs/dbraw/zinc/44/87/39/599448739.db2.gz TVXNFXJGDDWPJZ-CQSZACIVSA-N 1 3 359.482 0.817 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC[N@@H+]1C ZINC000954413345 674497132 /nfs/dbraw/zinc/49/71/32/674497132.db2.gz ZMLNWKFKNMXKKQ-BBWFWOEESA-N 1 3 352.523 0.972 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC[N@H+]1C ZINC000954413345 674497133 /nfs/dbraw/zinc/49/71/33/674497133.db2.gz ZMLNWKFKNMXKKQ-BBWFWOEESA-N 1 3 352.523 0.972 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891481792 663408878 /nfs/dbraw/zinc/40/88/78/663408878.db2.gz GYQSGSJNHKENQE-JYJNAYRXSA-N 1 3 353.511 0.746 20 0 FCADHO C[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000891600571 663417922 /nfs/dbraw/zinc/41/79/22/663417922.db2.gz CRVIVRPTAZKAGO-MGPQQGTHSA-N 1 3 365.444 0.649 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000892082303 663474251 /nfs/dbraw/zinc/47/42/51/663474251.db2.gz IUFJLZADLUNVLG-OAHLLOKOSA-N 1 3 351.495 0.644 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001023377919 663620327 /nfs/dbraw/zinc/62/03/27/663620327.db2.gz XUIOAYZFNFLHMR-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001023377919 663620328 /nfs/dbraw/zinc/62/03/28/663620328.db2.gz XUIOAYZFNFLHMR-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892865137 664150798 /nfs/dbraw/zinc/15/07/98/664150798.db2.gz GDSHLDNIVLUNES-PBHICJAKSA-N 1 3 367.515 0.891 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892944938 664177149 /nfs/dbraw/zinc/17/71/49/664177149.db2.gz XCUKPMQXQFSIOQ-ZACQAIPSSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892944938 664177151 /nfs/dbraw/zinc/17/71/51/664177151.db2.gz XCUKPMQXQFSIOQ-ZACQAIPSSA-N 1 3 354.495 0.338 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974125203 664223748 /nfs/dbraw/zinc/22/37/48/664223748.db2.gz CPLWEYHJMTZEPW-NQNKBUKLSA-N 1 3 350.507 0.963 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974125203 664223750 /nfs/dbraw/zinc/22/37/50/664223750.db2.gz CPLWEYHJMTZEPW-NQNKBUKLSA-N 1 3 350.507 0.963 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001027416343 664396797 /nfs/dbraw/zinc/39/67/97/664396797.db2.gz FLDCSNGGBQOTCP-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001027416343 664396801 /nfs/dbraw/zinc/39/68/01/664396801.db2.gz FLDCSNGGBQOTCP-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH+](C)CC1(O)CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000931482798 664399716 /nfs/dbraw/zinc/39/97/16/664399716.db2.gz OLMRYSWURBINFJ-UHFFFAOYSA-N 1 3 354.373 0.153 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000982779685 664911902 /nfs/dbraw/zinc/91/19/02/664911902.db2.gz UWBZMTQSRHPYIQ-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000982779685 664911903 /nfs/dbraw/zinc/91/19/03/664911903.db2.gz UWBZMTQSRHPYIQ-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000944087154 666827637 /nfs/dbraw/zinc/82/76/37/666827637.db2.gz YPBZMZCLLYXCDC-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000944087154 666827639 /nfs/dbraw/zinc/82/76/39/666827639.db2.gz YPBZMZCLLYXCDC-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000732569598 666889129 /nfs/dbraw/zinc/88/91/29/666889129.db2.gz RVPRAPUDRGRUPQ-OAHLLOKOSA-N 1 3 354.495 0.949 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=S)NCCCN3CCOCC3)C2)CC1 ZINC000732721801 666896593 /nfs/dbraw/zinc/89/65/93/666896593.db2.gz VPSRKAFKWQKKQD-INIZCTEOSA-N 1 3 369.579 0.341 20 0 FCADHO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)N(C)C ZINC000997872922 667178587 /nfs/dbraw/zinc/17/85/87/667178587.db2.gz YLRWSBPSBVSJMR-QZWWFDLISA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001002263250 667527706 /nfs/dbraw/zinc/52/77/06/667527706.db2.gz NBCOHUNHFBURHG-HYVNUMGLSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)CN3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC001002263250 667527709 /nfs/dbraw/zinc/52/77/09/667527709.db2.gz NBCOHUNHFBURHG-HYVNUMGLSA-N 1 3 350.507 0.633 20 0 FCADHO CNC(=O)[C@@H](C)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186806 667775288 /nfs/dbraw/zinc/77/52/88/667775288.db2.gz JWQYJXVONRHDPY-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CNC(=O)[C@@H](C)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186806 667775289 /nfs/dbraw/zinc/77/52/89/667775289.db2.gz JWQYJXVONRHDPY-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006183548 667856467 /nfs/dbraw/zinc/85/64/67/667856467.db2.gz YVAGPXDHNYXVCV-CKEIUWERSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006183548 667856472 /nfs/dbraw/zinc/85/64/72/667856472.db2.gz YVAGPXDHNYXVCV-CKEIUWERSA-N 1 3 350.507 0.774 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3COC(C)(C)O3)CC2)CC1 ZINC000783201258 668605223 /nfs/dbraw/zinc/60/52/23/668605223.db2.gz CLKLRYWLORAOON-INIZCTEOSA-N 1 3 354.495 0.996 20 0 FCADHO Cc1cnc(Cl)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000787898943 668813219 /nfs/dbraw/zinc/81/32/19/668813219.db2.gz PONFLFKAWQOKIZ-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804048876 669353649 /nfs/dbraw/zinc/35/36/49/669353649.db2.gz ABZLISOHJSJUEA-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644266 669860020 /nfs/dbraw/zinc/86/00/20/669860020.db2.gz RCKQFJGBNURRMT-GJZGRUSLSA-N 1 3 351.882 0.939 20 0 FCADHO COC(=O)CS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817907784 670047901 /nfs/dbraw/zinc/04/79/01/670047901.db2.gz WLXHGXTXRFEJOY-HZPDHXFCSA-N 1 3 354.472 0.991 20 0 FCADHO CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC([NH3+])CC1 ZINC000843354219 670805366 /nfs/dbraw/zinc/80/53/66/670805366.db2.gz ZCMZNDQNKKWNDX-UHFFFAOYSA-N 1 3 366.487 0.425 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000851692343 671458386 /nfs/dbraw/zinc/45/83/86/671458386.db2.gz ZYFDJUKTUBVZTK-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000853347846 671546638 /nfs/dbraw/zinc/54/66/38/671546638.db2.gz RSUVFKQMRQTFDK-CVEARBPZSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000853347846 671546639 /nfs/dbraw/zinc/54/66/39/671546639.db2.gz RSUVFKQMRQTFDK-CVEARBPZSA-N 1 3 355.527 0.768 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868308876 672393482 /nfs/dbraw/zinc/39/34/82/672393482.db2.gz CIIPRRLUBPWFRZ-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868308876 672393485 /nfs/dbraw/zinc/39/34/85/672393485.db2.gz CIIPRRLUBPWFRZ-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357521 676017548 /nfs/dbraw/zinc/01/75/48/676017548.db2.gz QVKBBJOHEHSKDH-WCXIOVBPSA-N 1 3 350.507 0.585 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001055357521 676017549 /nfs/dbraw/zinc/01/75/49/676017549.db2.gz QVKBBJOHEHSKDH-WCXIOVBPSA-N 1 3 350.507 0.585 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001001423555 676071519 /nfs/dbraw/zinc/07/15/19/676071519.db2.gz DGVNXTJXVUGOSK-BBWFWOEESA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001001423555 676071522 /nfs/dbraw/zinc/07/15/22/676071522.db2.gz DGVNXTJXVUGOSK-BBWFWOEESA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247438 673106748 /nfs/dbraw/zinc/10/67/48/673106748.db2.gz ACGDEQPMJKNEJX-OAHLLOKOSA-N 1 3 350.507 0.907 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883204584 673368997 /nfs/dbraw/zinc/36/89/97/673368997.db2.gz DOEQHOCKPCJOGI-OAHLLOKOSA-N 1 3 351.495 0.596 20 0 FCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883204584 673369000 /nfs/dbraw/zinc/36/90/00/673369000.db2.gz DOEQHOCKPCJOGI-OAHLLOKOSA-N 1 3 351.495 0.596 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884576596 673463664 /nfs/dbraw/zinc/46/36/64/673463664.db2.gz LDNMDLSSCVQQNP-FRRDWIJNSA-N 1 3 364.412 0.430 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612499 673465919 /nfs/dbraw/zinc/46/59/19/673465919.db2.gz MSTXPVVHFSNJHU-GUYCJALGSA-N 1 3 356.536 0.434 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705839 673475361 /nfs/dbraw/zinc/47/53/61/673475361.db2.gz JHLKNKGCLAEACJ-FMHYQEOESA-N 1 3 354.495 0.595 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884787460 673482266 /nfs/dbraw/zinc/48/22/66/673482266.db2.gz SJOTWGCHHHPDCH-SDDRHHMPSA-N 1 3 350.385 0.183 20 0 FCADHO C[N@H+](CCO)C1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000927639831 673874198 /nfs/dbraw/zinc/87/41/98/673874198.db2.gz FXBNJLMMWVWFIO-KRWDZBQOSA-N 1 3 354.495 0.338 20 0 FCADHO C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000927639831 673874201 /nfs/dbraw/zinc/87/42/01/673874201.db2.gz FXBNJLMMWVWFIO-KRWDZBQOSA-N 1 3 354.495 0.338 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000968725384 675226788 /nfs/dbraw/zinc/22/67/88/675226788.db2.gz VFRGUXLPKLLHNU-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC000968725384 675226792 /nfs/dbraw/zinc/22/67/92/675226792.db2.gz VFRGUXLPKLLHNU-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614105 1168161934 /nfs/dbraw/zinc/16/19/34/1168161934.db2.gz JMUCHLJVQCHSOW-RWQQGDIJSA-N 1 3 368.485 0.897 20 0 FCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614105 1168161940 /nfs/dbraw/zinc/16/19/40/1168161940.db2.gz JMUCHLJVQCHSOW-RWQQGDIJSA-N 1 3 368.485 0.897 20 0 FCADHO CC[NH+]1CCC(C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001272091317 1192301887 /nfs/dbraw/zinc/30/18/87/1192301887.db2.gz UMZLGWBZNWMSCU-HDICACEKSA-N 1 3 364.534 0.977 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001104348447 1170199150 /nfs/dbraw/zinc/19/91/50/1170199150.db2.gz GFQKZCXWGZGFIG-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001691356029 1171192261 /nfs/dbraw/zinc/19/22/61/1171192261.db2.gz FGAJKMDUVATBEG-WCXIOVBPSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001691356029 1171192265 /nfs/dbraw/zinc/19/22/65/1171192265.db2.gz FGAJKMDUVATBEG-WCXIOVBPSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC001022471953 1171251791 /nfs/dbraw/zinc/25/17/91/1171251791.db2.gz CPKXSPPMUGUJJV-QBYUYEEZSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC001022471953 1171251812 /nfs/dbraw/zinc/25/18/12/1171251812.db2.gz CPKXSPPMUGUJJV-QBYUYEEZSA-N 1 3 359.474 0.742 20 0 FCADHO O=C(N1CCO[C@@H]2CN(CCC[C@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249427 1172021683 /nfs/dbraw/zinc/02/16/83/1172021683.db2.gz DUYXCYGBVCNRNV-OKZBNKHCSA-N 1 3 363.502 0.811 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000898005882 1192853457 /nfs/dbraw/zinc/85/34/57/1192853457.db2.gz KVDNNSFZTLMYMB-RKVPGOIHSA-N 1 3 371.485 0.718 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCCN(C)C3=O)C[C@H]2C1 ZINC001691579030 1192891414 /nfs/dbraw/zinc/89/14/14/1192891414.db2.gz WJUNBYKTNKIOKF-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCCN(C)C3=O)C[C@H]2C1 ZINC001691579030 1192891416 /nfs/dbraw/zinc/89/14/16/1192891416.db2.gz WJUNBYKTNKIOKF-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCCN(C)C3=O)C[C@H]2C1 ZINC001691579029 1192891443 /nfs/dbraw/zinc/89/14/43/1192891443.db2.gz WJUNBYKTNKIOKF-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCCN(C)C3=O)C[C@H]2C1 ZINC001691579029 1192891445 /nfs/dbraw/zinc/89/14/45/1192891445.db2.gz WJUNBYKTNKIOKF-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO COCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433406 1178839610 /nfs/dbraw/zinc/83/96/10/1178839610.db2.gz AZGXJAAJMNKTQH-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001211623671 1180213956 /nfs/dbraw/zinc/21/39/56/1180213956.db2.gz OFRDQJVAJPVMBR-FCGDIQPGSA-N 1 3 363.502 0.918 20 0 FCADHO Cn1nnnc1CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892521702 1181721366 /nfs/dbraw/zinc/72/13/66/1181721366.db2.gz BUHUPKARDVRZIK-UHFFFAOYSA-N 1 3 364.498 0.001 20 0 FCADHO Cc1cc(NC(=O)CNCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)no1 ZINC001104621623 1182291577 /nfs/dbraw/zinc/29/15/77/1182291577.db2.gz IQNHDBVVSKKXIV-UKRRQHHQSA-N 1 3 365.478 0.947 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1)N(C)C ZINC001104690485 1182371751 /nfs/dbraw/zinc/37/17/51/1182371751.db2.gz GFQKZCXWGZGFIG-ZACQAIPSSA-N 1 3 370.538 0.554 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776790 1182497694 /nfs/dbraw/zinc/49/76/94/1182497694.db2.gz IASSIAPRVSAYST-IRXDYDNUSA-N 1 3 368.522 0.897 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717962 1185635349 /nfs/dbraw/zinc/63/53/49/1185635349.db2.gz AZGVSQFGTZBQAG-BQFCYCMXSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21)C1CCC1 ZINC000975717962 1185635362 /nfs/dbraw/zinc/63/53/62/1185635362.db2.gz AZGVSQFGTZBQAG-BQFCYCMXSA-N 1 3 362.518 0.872 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC000976106482 1185887748 /nfs/dbraw/zinc/88/77/48/1185887748.db2.gz HYINZECIOVITJZ-JQHSSLGASA-N 1 3 371.485 0.743 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001211695214 1186214163 /nfs/dbraw/zinc/21/41/63/1186214163.db2.gz QJWXWOKJOSWPON-CEXWTWQISA-N 1 3 363.502 0.920 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1)C(N)=O ZINC001211709532 1186685493 /nfs/dbraw/zinc/68/54/93/1186685493.db2.gz PQHBJXDHGJXZAL-BHYGNILZSA-N 1 3 362.474 0.023 20 0 FCADHO C[C@@H](C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1)N1CCCC1 ZINC001270491793 1188172234 /nfs/dbraw/zinc/17/22/34/1188172234.db2.gz YHYCXQFAISALHV-QFBILLFUSA-N 1 3 366.506 0.110 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000550377918 1188343706 /nfs/dbraw/zinc/34/37/06/1188343706.db2.gz ZQPUCKQMYRBEMS-QGZVFWFLSA-N 1 3 368.522 0.545 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000550413851 1188367461 /nfs/dbraw/zinc/36/74/61/1188367461.db2.gz DQNGVLXCMBLLAO-MAUKXSAKSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000550413851 1188367464 /nfs/dbraw/zinc/36/74/64/1188367464.db2.gz DQNGVLXCMBLLAO-MAUKXSAKSA-N 1 3 360.502 0.874 20 0 FCADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088064592 1190343429 /nfs/dbraw/zinc/34/34/29/1190343429.db2.gz MAEBXMVPQUAPQL-IKGGRYGDSA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090681 1190544266 /nfs/dbraw/zinc/54/42/66/1190544266.db2.gz BFQRWJNRCFQRSF-SQNIBIBYSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105758 1190592190 /nfs/dbraw/zinc/59/21/90/1190592190.db2.gz BJFXIDSNOBIDKG-BBWFWOEESA-N 1 3 363.506 0.276 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088105758 1190592200 /nfs/dbraw/zinc/59/22/00/1190592200.db2.gz BJFXIDSNOBIDKG-BBWFWOEESA-N 1 3 363.506 0.276 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001075876556 1190795807 /nfs/dbraw/zinc/79/58/07/1190795807.db2.gz RAZSBXUOKYMBOP-RCCFBDPRSA-N 1 3 360.506 0.789 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001075876556 1190795812 /nfs/dbraw/zinc/79/58/12/1190795812.db2.gz RAZSBXUOKYMBOP-RCCFBDPRSA-N 1 3 360.506 0.789 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000985825175 1190825631 /nfs/dbraw/zinc/82/56/31/1190825631.db2.gz XHVGGIDLDLZLLO-IKGGRYGDSA-N 1 3 360.502 0.483 20 0 FCADHO C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1)C1CC1 ZINC000986137336 1190903816 /nfs/dbraw/zinc/90/38/16/1190903816.db2.gz PYSSOHILHJCVGP-AOIWGVFYSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1)[NH+](C)C ZINC000986482668 1191006404 /nfs/dbraw/zinc/00/64/04/1191006404.db2.gz LVWYDCUZBMLZTA-XMTFNYHQSA-N 1 3 364.534 0.974 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089242 1224140038 /nfs/dbraw/zinc/14/00/38/1224140038.db2.gz ILFFPVKSVXWGDI-BBATYDOGSA-N 1 3 364.446 0.672 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000550659727 1193727415 /nfs/dbraw/zinc/72/74/15/1193727415.db2.gz CRAVGRUGXFHKBF-MRXNPFEDSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001691581921 1193735670 /nfs/dbraw/zinc/73/56/70/1193735670.db2.gz IKNWFSNLFPINIS-ZACQAIPSSA-N 1 3 352.523 0.975 20 0 FCADHO CN1CCN(c2cc(NC(=O)c3ccc([C@H]([NH3+])CN)cc3)ncn2)CC1 ZINC001218573268 1224175994 /nfs/dbraw/zinc/17/59/94/1224175994.db2.gz SZLBETUSFMIPDK-OAHLLOKOSA-N 1 3 355.446 0.439 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC1=O ZINC000552351173 1193925004 /nfs/dbraw/zinc/92/50/04/1193925004.db2.gz RYSZLMWPJYVROZ-INIZCTEOSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@]1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188611 1194084604 /nfs/dbraw/zinc/08/46/04/1194084604.db2.gz IZPAQJVZCVOPMF-FXAWDEMLSA-N 1 3 374.485 0.119 20 0 FCADHO C[C@]1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188611 1194084610 /nfs/dbraw/zinc/08/46/10/1194084610.db2.gz IZPAQJVZCVOPMF-FXAWDEMLSA-N 1 3 374.485 0.119 20 0 FCADHO COC(=O)c1cc2cc(NC(=O)[C@H](N)CN3CCC([NH3+])CC3)cnc2[nH]1 ZINC001218671382 1224192985 /nfs/dbraw/zinc/19/29/85/1224192985.db2.gz SKOCEGFKFDAHDD-CYBMUJFWSA-N 1 3 360.418 0.038 20 0 FCADHO Cc1nnc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])ccn12 ZINC001218700425 1224198990 /nfs/dbraw/zinc/19/89/90/1224198990.db2.gz YWBQQOSBYYNFAH-GJZGRUSLSA-N 1 3 373.461 0.424 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243973 1194370948 /nfs/dbraw/zinc/37/09/48/1194370948.db2.gz JZDBUOFSPRSJNT-OKZBNKHCSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243973 1194370953 /nfs/dbraw/zinc/37/09/53/1194370953.db2.gz JZDBUOFSPRSJNT-OKZBNKHCSA-N 1 3 362.518 0.873 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076418491 1194465897 /nfs/dbraw/zinc/46/58/97/1194465897.db2.gz ADAPYYWURIFHIB-OKZBNKHCSA-N 1 3 362.518 0.870 20 0 FCADHO Cn1nnc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])ccc21 ZINC001218881615 1224248238 /nfs/dbraw/zinc/24/82/38/1224248238.db2.gz YCJRSEIAHFPEKM-BBRMVZONSA-N 1 3 373.461 0.354 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)CC1 ZINC001077015065 1195144578 /nfs/dbraw/zinc/14/45/78/1195144578.db2.gz AFHIAXRKAXSXLJ-MKXGPGLRSA-N 1 3 365.518 0.695 20 0 FCADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905046417 1195571666 /nfs/dbraw/zinc/57/16/66/1195571666.db2.gz ADFOGQMGVZSYQZ-VQTJNVASSA-N 1 3 363.502 0.426 20 0 FCADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC000905147315 1195577871 /nfs/dbraw/zinc/57/78/71/1195577871.db2.gz UWTNNPOZJCSVQM-WOJBJXKFSA-N 1 3 364.486 0.635 20 0 FCADHO O[C@@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC000905147315 1195577876 /nfs/dbraw/zinc/57/78/76/1195577876.db2.gz UWTNNPOZJCSVQM-WOJBJXKFSA-N 1 3 364.486 0.635 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000910827274 1195847054 /nfs/dbraw/zinc/84/70/54/1195847054.db2.gz BDGVCQANNUJMDC-OAHLLOKOSA-N 1 3 359.474 0.671 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961195 1195869269 /nfs/dbraw/zinc/86/92/69/1195869269.db2.gz BDYLPYMGRKAHTB-MSOLQXFVSA-N 1 3 360.502 0.924 20 0 FCADHO CN1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000911170842 1195909604 /nfs/dbraw/zinc/90/96/04/1195909604.db2.gz XSRFVFZFQNTXQS-KRWDZBQOSA-N 1 3 373.501 0.089 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000911259737 1195928659 /nfs/dbraw/zinc/92/86/59/1195928659.db2.gz ZVHIDUVXDWPXBD-QZTJIDSGSA-N 1 3 356.470 0.718 20 0 FCADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911324395 1195933532 /nfs/dbraw/zinc/93/35/32/1195933532.db2.gz BVBDPNRZNBMTPA-XWTMOSNGSA-N 1 3 356.470 0.860 20 0 FCADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001083668885 1196392468 /nfs/dbraw/zinc/39/24/68/1196392468.db2.gz KUQNFDIRYCIXFL-IPELMVKDSA-N 1 3 361.486 0.602 20 0 FCADHO C[NH+](C)CCN1CCCC2(CCN(C(=O)[C@@H](CO)n3ccnc3)CC2)C1 ZINC001272467132 1197103387 /nfs/dbraw/zinc/10/33/87/1197103387.db2.gz LFZSLYAKDVBEHZ-QGZVFWFLSA-N 1 3 363.506 0.683 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106249717 1197784270 /nfs/dbraw/zinc/78/42/70/1197784270.db2.gz OWHCZOUNAIFWHS-BJZITVGISA-N 1 3 364.534 0.927 20 0 FCADHO COc1cc2c(cc1NC(=O)c1ccc(CN)nc1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219506508 1224492063 /nfs/dbraw/zinc/49/20/63/1224492063.db2.gz KYVUXKJCIIDJDV-LJQANCHMSA-N 1 3 367.409 0.984 20 0 FCADHO CN1CCC(NC(=O)c2ccc(N(CC[NH3+])c3cccnc3)nn2)CC1 ZINC001168834160 1199036958 /nfs/dbraw/zinc/03/69/58/1199036958.db2.gz FMUMRJNNTOQKNI-UHFFFAOYSA-N 1 3 355.446 0.792 20 0 FCADHO N[C@@H](C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743969 1224589367 /nfs/dbraw/zinc/58/93/67/1224589367.db2.gz QAXPFKBOZUNFJR-HZPDHXFCSA-N 1 3 367.490 0.664 20 0 FCADHO CC(C)CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386163 1200110455 /nfs/dbraw/zinc/11/04/55/1200110455.db2.gz ZEEAAYAMDXSATN-SJORKVTESA-N 1 3 366.510 0.634 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109960988 1200637608 /nfs/dbraw/zinc/63/76/08/1200637608.db2.gz IKAYHCQLYQUFNB-YRXWBPOGSA-N 1 3 365.518 0.837 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001112567157 1200801742 /nfs/dbraw/zinc/80/17/42/1200801742.db2.gz ABQCJUMGEVOILM-KSSFIOAISA-N 1 3 367.494 0.002 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787130788 1200869358 /nfs/dbraw/zinc/86/93/58/1200869358.db2.gz PBKIZFPJWGRKDZ-KRWDZBQOSA-N 1 3 366.506 0.300 20 0 FCADHO COc1cccc([C@H](N)CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838755 1224647042 /nfs/dbraw/zinc/64/70/42/1224647042.db2.gz UFKGHHGJSOSENZ-YJLNNSPDSA-N 1 3 363.458 0.596 20 0 FCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837759 1224647299 /nfs/dbraw/zinc/64/72/99/1224647299.db2.gz LQXDJKXNVRCAIT-HBFSDRIKSA-N 1 3 361.486 0.848 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CCCCC1 ZINC000793703314 1201259195 /nfs/dbraw/zinc/25/91/95/1201259195.db2.gz UMTGXFCPONKLFV-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CCCCC1 ZINC000793703314 1201259200 /nfs/dbraw/zinc/25/92/00/1201259200.db2.gz UMTGXFCPONKLFV-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CC1 ZINC001219866924 1224661440 /nfs/dbraw/zinc/66/14/40/1224661440.db2.gz FDTNNRFSCGCPRX-FGTMMUONSA-N 1 3 365.518 0.839 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433943 1201315430 /nfs/dbraw/zinc/31/54/30/1201315430.db2.gz ZQQIXMTYBIHDRE-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433943 1201315437 /nfs/dbraw/zinc/31/54/37/1201315437.db2.gz ZQQIXMTYBIHDRE-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894513 1201428693 /nfs/dbraw/zinc/42/86/93/1201428693.db2.gz IGPMJHIGGQMSCL-OAGGEKHMSA-N 1 3 364.494 0.265 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898202 1224673920 /nfs/dbraw/zinc/67/39/20/1224673920.db2.gz HILYNVXNZYVINY-KGLIPLIRSA-N 1 3 362.409 0.165 20 0 FCADHO CC(C)COCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985034 1201464475 /nfs/dbraw/zinc/46/44/75/1201464475.db2.gz MTAILNJWFKYNAO-SJORKVTESA-N 1 3 366.510 0.634 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012085 1201471076 /nfs/dbraw/zinc/47/10/76/1201471076.db2.gz NVSHTIGDEQWWOV-CVEARBPZSA-N 1 3 364.494 0.388 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006231 1201476268 /nfs/dbraw/zinc/47/62/68/1201476268.db2.gz YRTJRTYKDDWBKF-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919606 1224680451 /nfs/dbraw/zinc/68/04/51/1224680451.db2.gz FLYZCMGUFMNIQC-MSOLQXFVSA-N 1 3 364.490 0.886 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130661836 1202750004 /nfs/dbraw/zinc/75/00/04/1202750004.db2.gz BHQGOBKUSRAKCZ-CGTJXYLNSA-N 1 3 365.522 0.927 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672298 1202752464 /nfs/dbraw/zinc/75/24/64/1202752464.db2.gz LWNZRBSKOBIGKK-SOLBZPMBSA-N 1 3 363.506 0.825 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130719665 1202766209 /nfs/dbraw/zinc/76/62/09/1202766209.db2.gz YNBFPWDNZQWQAW-SOLBZPMBSA-N 1 3 365.522 0.807 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010291 1202844237 /nfs/dbraw/zinc/84/42/37/1202844237.db2.gz HWKWPGPRAPHIIS-HZPDHXFCSA-N 1 3 363.506 0.825 20 0 FCADHO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001131121461 1202865994 /nfs/dbraw/zinc/86/59/94/1202865994.db2.gz UOUYIBSJFNMUTQ-GVDBMIGSSA-N 1 3 363.506 0.561 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131132414 1202869860 /nfs/dbraw/zinc/86/98/60/1202869860.db2.gz JUEUMLLRFSKLTR-BRWVUGGUSA-N 1 3 363.506 0.561 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131582981 1202918121 /nfs/dbraw/zinc/91/81/21/1202918121.db2.gz JNVQHKPZTHOUSW-RYRKJORJSA-N 1 3 366.506 0.202 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001131596948 1202919298 /nfs/dbraw/zinc/91/92/98/1202919298.db2.gz CAJKABFWUALGCK-SCTDSRPQSA-N 1 3 371.522 0.321 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086694394 1202967195 /nfs/dbraw/zinc/96/71/95/1202967195.db2.gz PXCFYGAEMJESFC-BBWFWOEESA-N 1 3 365.522 0.759 20 0 FCADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327209 1202993389 /nfs/dbraw/zinc/99/33/89/1202993389.db2.gz YZQHLEKYIUILJN-JSGCOSHPSA-N 1 3 373.457 0.454 20 0 FCADHO Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001086784980 1203092092 /nfs/dbraw/zinc/09/20/92/1203092092.db2.gz DORFKAMCEOLOJU-ZMSDIMECSA-N 1 3 365.478 0.862 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncccn3)C2)C1 ZINC001086784911 1203092694 /nfs/dbraw/zinc/09/26/94/1203092694.db2.gz APSAGHDWKHAOFO-BBWFWOEESA-N 1 3 361.490 0.960 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817927186 1203124601 /nfs/dbraw/zinc/12/46/01/1203124601.db2.gz ZCKPQYQJZIZFTG-FUHWJXTLSA-N 1 3 360.502 0.815 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000817926262 1203126681 /nfs/dbraw/zinc/12/66/81/1203126681.db2.gz CLXGESZUVGTDEL-OAQYLSRUSA-N 1 3 372.513 0.831 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000817926243 1203126699 /nfs/dbraw/zinc/12/66/99/1203126699.db2.gz BUNHYOJMFHAXBM-FQEVSTJZSA-N 1 3 360.502 0.817 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000817926261 1203126785 /nfs/dbraw/zinc/12/67/85/1203126785.db2.gz CLXGESZUVGTDEL-NRFANRHFSA-N 1 3 372.513 0.831 20 0 FCADHO CCn1nc(C)c(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000822951972 1203242466 /nfs/dbraw/zinc/24/24/66/1203242466.db2.gz ZPFDJLAVZAIJDY-UHFFFAOYSA-N 1 3 363.510 0.964 20 0 FCADHO CCOC(CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])OCC ZINC001220231174 1224810993 /nfs/dbraw/zinc/81/09/93/1224810993.db2.gz XFUAKHAWSHZMNM-GJZGRUSLSA-N 1 3 372.510 0.339 20 0 FCADHO COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220296583 1224822529 /nfs/dbraw/zinc/82/25/29/1224822529.db2.gz SIUYEKQAOGEPLJ-HNAYVOBHSA-N 1 3 370.453 0.567 20 0 FCADHO N[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)CC[NH2+]C1 ZINC001220356703 1224841538 /nfs/dbraw/zinc/84/15/38/1224841538.db2.gz CXJZLPXAFHTGTB-GPMSIDNRSA-N 1 3 360.458 0.253 20 0 FCADHO C[NH2+][C@H](C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@H](C)O ZINC001220358777 1224842485 /nfs/dbraw/zinc/84/24/85/1224842485.db2.gz XOOCECXFVPLRDD-SIXLDLHFSA-N 1 3 363.458 0.531 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059498 1204944552 /nfs/dbraw/zinc/94/45/52/1204944552.db2.gz IZOLOMROVFTFMW-SJLPKXTDSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087061093 1204948017 /nfs/dbraw/zinc/94/80/17/1204948017.db2.gz NLXCRYGHSVIDKV-KURKYZTESA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087081076 1204992958 /nfs/dbraw/zinc/99/29/58/1204992958.db2.gz UHNAEEHSLHYKIX-DJIMGWMZSA-N 1 3 366.510 0.354 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccnc1C ZINC001087100743 1204997118 /nfs/dbraw/zinc/99/71/18/1204997118.db2.gz BLULYUMCQWACIG-JFIYKMOQSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccnc1C ZINC001087100743 1204997132 /nfs/dbraw/zinc/99/71/32/1204997132.db2.gz BLULYUMCQWACIG-JFIYKMOQSA-N 1 3 361.490 0.690 20 0 FCADHO CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)N4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910335 1205069263 /nfs/dbraw/zinc/06/92/63/1205069263.db2.gz SLAAMBZJJDPVOY-QINHECLXSA-N 1 3 362.518 0.872 20 0 FCADHO CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C(C)(C)N4CCCC4)C[C@]3(C)C2)C1=O ZINC001091910335 1205069266 /nfs/dbraw/zinc/06/92/66/1205069266.db2.gz SLAAMBZJJDPVOY-QINHECLXSA-N 1 3 362.518 0.872 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1COC2(CNC2)CN1 ZINC001220491758 1224891268 /nfs/dbraw/zinc/89/12/68/1224891268.db2.gz CUKZNTZAZHLFOB-AKHDSKFASA-N 1 3 370.497 0.629 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1COC2(CNC2)CN1 ZINC001220491758 1224891271 /nfs/dbraw/zinc/89/12/71/1224891271.db2.gz CUKZNTZAZHLFOB-AKHDSKFASA-N 1 3 370.497 0.629 20 0 FCADHO CCOC(=O)C1=C(NC(=O)c2cccc(O[C@@H]3CC[NH2+]C3)c2)CCNC1 ZINC001220525388 1224906584 /nfs/dbraw/zinc/90/65/84/1224906584.db2.gz AXMIKINTSUMVGF-OAHLLOKOSA-N 1 3 359.426 0.968 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093223441 1206062117 /nfs/dbraw/zinc/06/21/17/1206062117.db2.gz ZDJLWHQUDHBZQF-ZTFGCOKTSA-N 1 3 358.486 0.934 20 0 FCADHO COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C)cc1=O ZINC001093674216 1206099798 /nfs/dbraw/zinc/09/97/98/1206099798.db2.gz CEFZNKOQLBHVNB-IIAWOOMASA-N 1 3 363.458 0.927 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(c2cccnc2)CC1 ZINC001220560386 1224930999 /nfs/dbraw/zinc/93/09/99/1224930999.db2.gz FZSWVYFNRVMMNQ-HOTGVXAUSA-N 1 3 359.474 0.634 20 0 FCADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094238591 1206209658 /nfs/dbraw/zinc/20/96/58/1206209658.db2.gz XBGFUCKFYOJQGN-OLMNPRSZSA-N 1 3 358.486 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094241584 1206209723 /nfs/dbraw/zinc/20/97/23/1206209723.db2.gz QLQOFZHUFPBCAA-QGPMSJSTSA-N 1 3 358.486 0.934 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)CC2 ZINC001172136211 1206257399 /nfs/dbraw/zinc/25/73/99/1206257399.db2.gz BZVODHTWDHPSTI-YQQQUEKLSA-N 1 3 374.529 0.672 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1C[C@@H]3COC[C@H](C1)N3C)CC2 ZINC001172136211 1206257404 /nfs/dbraw/zinc/25/74/04/1206257404.db2.gz BZVODHTWDHPSTI-YQQQUEKLSA-N 1 3 374.529 0.672 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)O4)CC2)C1=O ZINC001172226159 1206259562 /nfs/dbraw/zinc/25/95/62/1206259562.db2.gz YHISIJBPNOFRDA-AYHJJNSGSA-N 1 3 364.534 0.867 20 0 FCADHO C[C@H]1C[C@@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001178565271 1206360114 /nfs/dbraw/zinc/36/01/14/1206360114.db2.gz VYOVNFHYRAWDDS-ZDXZYRICSA-N 1 3 371.522 0.938 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001220642687 1224982332 /nfs/dbraw/zinc/98/23/32/1224982332.db2.gz IMPFRURECFWDON-FGTMMUONSA-N 1 3 369.506 0.074 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654530 1224993835 /nfs/dbraw/zinc/99/38/35/1224993835.db2.gz XHGTVWJSTCYEHJ-KSSFIOAISA-N 1 3 361.490 0.202 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190324316 1207676196 /nfs/dbraw/zinc/67/61/96/1207676196.db2.gz KFWQXYOQVHSFNR-ARFHVFGLSA-N 1 3 362.474 0.200 20 0 FCADHO CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802441 1207809905 /nfs/dbraw/zinc/80/99/05/1207809905.db2.gz RLSVFGJDSNILBF-FGTMMUONSA-N 1 3 365.449 0.850 20 0 FCADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802441 1207809906 /nfs/dbraw/zinc/80/99/06/1207809906.db2.gz RLSVFGJDSNILBF-FGTMMUONSA-N 1 3 365.449 0.850 20 0 FCADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802441 1207809909 /nfs/dbraw/zinc/80/99/09/1207809909.db2.gz RLSVFGJDSNILBF-FGTMMUONSA-N 1 3 365.449 0.850 20 0 FCADHO CN1CCN(c2cncc(C(=O)N3CC[NH+](C4CCOCC4)CC3)c2)CC1 ZINC001193943929 1207904688 /nfs/dbraw/zinc/90/46/88/1207904688.db2.gz LKOQKQUHWHOFSF-UHFFFAOYSA-N 1 3 373.501 0.770 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289237 1207934694 /nfs/dbraw/zinc/93/46/94/1207934694.db2.gz FLYZCMGUFMNIQC-QZTJIDSGSA-N 1 3 364.490 0.886 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790575 1225075577 /nfs/dbraw/zinc/07/55/77/1225075577.db2.gz SHADHBCAMZCMLU-QSPRXWTASA-N 1 3 361.490 0.727 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220984465 1225175135 /nfs/dbraw/zinc/17/51/35/1225175135.db2.gz ASCZFKBRTVCAPN-INIZCTEOSA-N 1 3 356.474 0.994 20 0 FCADHO NC(=O)c1ccc(CCN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665747 1210001064 /nfs/dbraw/zinc/00/10/64/1210001064.db2.gz GECVQAQCNQPANM-MSOLQXFVSA-N 1 3 371.485 0.548 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000868302168 1210050827 /nfs/dbraw/zinc/05/08/27/1210050827.db2.gz FPKXGUDOOKZAEJ-IYBDPMFKSA-N 1 3 373.501 0.929 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)n1 ZINC000873102885 1210235047 /nfs/dbraw/zinc/23/50/47/1210235047.db2.gz VFGXIDWUCRWTIB-MRXNPFEDSA-N 1 3 370.457 0.214 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221073462 1225211224 /nfs/dbraw/zinc/21/12/24/1225211224.db2.gz XMYJSYNKECYPDQ-QYZOEREBSA-N 1 3 367.534 0.965 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876780080 1210429050 /nfs/dbraw/zinc/42/90/50/1210429050.db2.gz CLJFDDSYADQAER-SJORKVTESA-N 1 3 362.522 0.872 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@](O)(C(=O)OC)C3)CC2)CC1 ZINC000882857550 1210639676 /nfs/dbraw/zinc/63/96/76/1210639676.db2.gz LXSSXYSODUGROW-IBGZPJMESA-N 1 3 367.490 0.319 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000130609911 1210645988 /nfs/dbraw/zinc/64/59/88/1210645988.db2.gz MRNZULAEXOVQIK-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439161 1210667667 /nfs/dbraw/zinc/66/76/67/1210667667.db2.gz KGSQIGCGBAFMNY-WCXIOVBPSA-N 1 3 365.474 0.829 20 0 FCADHO C[C@H]1C[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000883458001 1210669310 /nfs/dbraw/zinc/66/93/10/1210669310.db2.gz UJERAEPGJXGZIG-JKSUJKDBSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@H]1C[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000883458001 1210669314 /nfs/dbraw/zinc/66/93/14/1210669314.db2.gz UJERAEPGJXGZIG-JKSUJKDBSA-N 1 3 365.522 0.985 20 0 FCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000884560210 1210752240 /nfs/dbraw/zinc/75/22/40/1210752240.db2.gz QPZPBEQIBBOEAE-KHYOSLBOSA-N 1 3 366.506 0.189 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)Cc2ccccc2C1 ZINC000884566966 1210752777 /nfs/dbraw/zinc/75/27/77/1210752777.db2.gz YNXXJHIHVOXLCM-RZDIXWSQSA-N 1 3 372.513 0.836 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884577153 1210755886 /nfs/dbraw/zinc/75/58/86/1210755886.db2.gz YPFZELMUCIIFAZ-JKSUJKDBSA-N 1 3 366.506 0.109 20 0 FCADHO CCN(C(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884578028 1210755951 /nfs/dbraw/zinc/75/59/51/1210755951.db2.gz RCDJEAWUXBQDAS-GOSISDBHSA-N 1 3 358.486 0.761 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884656322 1210772950 /nfs/dbraw/zinc/77/29/50/1210772950.db2.gz BZCRKVXNUQMEID-HOTGVXAUSA-N 1 3 366.506 0.345 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706604 1210784472 /nfs/dbraw/zinc/78/44/72/1210784472.db2.gz IIFDZNWEJXRXJV-JKSUJKDBSA-N 1 3 368.522 0.940 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)Cc1ccccc1 ZINC000884886010 1210802942 /nfs/dbraw/zinc/80/29/42/1210802942.db2.gz GGZGUFUTRMZHQR-QZTJIDSGSA-N 1 3 358.486 0.759 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885154428 1210813721 /nfs/dbraw/zinc/81/37/21/1210813721.db2.gz WLMUQMCAPPJEQR-OLMNPRSZSA-N 1 3 358.486 0.616 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885154428 1210813722 /nfs/dbraw/zinc/81/37/22/1210813722.db2.gz WLMUQMCAPPJEQR-OLMNPRSZSA-N 1 3 358.486 0.616 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691713673 1210841170 /nfs/dbraw/zinc/84/11/70/1210841170.db2.gz YPFAISKJRYCBFB-BHYGNILZSA-N 1 3 351.495 0.679 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@@H](O)COC1CCOCC1 ZINC001691719348 1210843065 /nfs/dbraw/zinc/84/30/65/1210843065.db2.gz CTIOAOWYUNUKAP-INMHGKMJSA-N 1 3 357.495 0.074 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000890283997 1210853983 /nfs/dbraw/zinc/85/39/83/1210853983.db2.gz RYRJAVRFKWZKHA-YJBOKZPZSA-N 1 3 373.501 0.976 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000890283997 1210853984 /nfs/dbraw/zinc/85/39/84/1210853984.db2.gz RYRJAVRFKWZKHA-YJBOKZPZSA-N 1 3 373.501 0.976 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090888 1210879014 /nfs/dbraw/zinc/87/90/14/1210879014.db2.gz LRTDUPUXWQPXTB-WRWLIDTKSA-N 1 3 362.518 0.920 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143381 1211179585 /nfs/dbraw/zinc/17/95/85/1211179585.db2.gz UGTVJWMYPGBHHC-UYAOXDASSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143381 1211179588 /nfs/dbraw/zinc/17/95/88/1211179588.db2.gz UGTVJWMYPGBHHC-UYAOXDASSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143371 1211179649 /nfs/dbraw/zinc/17/96/49/1211179649.db2.gz UGTVJWMYPGBHHC-ICSRJNTNSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C[C@@H]3CCOC3)C2=O)CC1 ZINC001275143371 1211179651 /nfs/dbraw/zinc/17/96/51/1211179651.db2.gz UGTVJWMYPGBHHC-ICSRJNTNSA-N 1 3 364.534 0.727 20 0 FCADHO COC(C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1)OC ZINC001275493383 1211250733 /nfs/dbraw/zinc/25/07/33/1211250733.db2.gz JVORWTLEZBPPOB-LJQANCHMSA-N 1 3 368.522 0.167 20 0 FCADHO COC(C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1)OC ZINC001275493383 1211250736 /nfs/dbraw/zinc/25/07/36/1211250736.db2.gz JVORWTLEZBPPOB-LJQANCHMSA-N 1 3 368.522 0.167 20 0 FCADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C[C@@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820139 1225281848 /nfs/dbraw/zinc/28/18/48/1225281848.db2.gz YTKFXLGRSZNIPX-LSDHHAIUSA-N 1 3 369.506 0.469 20 0 FCADHO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221275347 1225286899 /nfs/dbraw/zinc/28/68/99/1225286899.db2.gz AYCNAYOECIHHMA-QZTJIDSGSA-N 1 3 370.497 0.535 20 0 FCADHO C(CN1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768333 1211508069 /nfs/dbraw/zinc/50/80/69/1211508069.db2.gz JOUHUBZNSWRZHB-LWYYNNOASA-N 1 3 366.550 0.530 20 0 FCADHO COc1ccccc1[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nnc(C)o1 ZINC001221336653 1225300239 /nfs/dbraw/zinc/30/02/39/1225300239.db2.gz MLRATVIJUOIRST-VVFCZOMOSA-N 1 3 371.441 0.791 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000929947080 1211673625 /nfs/dbraw/zinc/67/36/25/1211673625.db2.gz GNUUJFIZSRIBKN-UHFFFAOYSA-N 1 3 368.522 0.452 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1ccncc1)C1CC1 ZINC000934222980 1211859326 /nfs/dbraw/zinc/85/93/26/1211859326.db2.gz JUWTWVMBWALMQU-KRWDZBQOSA-N 1 3 361.490 0.601 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC000949318925 1212354088 /nfs/dbraw/zinc/35/40/88/1212354088.db2.gz CUSNMPKQKJYOSO-SRCQZFHVSA-N 1 3 359.474 0.566 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000957089614 1213250079 /nfs/dbraw/zinc/25/00/79/1213250079.db2.gz SIZDXGLFCGRFAT-HZPDHXFCSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001221771608 1225475925 /nfs/dbraw/zinc/47/59/25/1225475925.db2.gz DCPOUSQZWZVCNC-OWCLPIDISA-N 1 3 358.490 0.640 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419429386 1214181063 /nfs/dbraw/zinc/18/10/63/1214181063.db2.gz UPHMGGLQPXQZPF-OAQYLSRUSA-N 1 3 370.497 0.906 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001039865904 1214451177 /nfs/dbraw/zinc/45/11/77/1214451177.db2.gz UVKUNOACDRKXET-FCEWJHQRSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001039865904 1214451180 /nfs/dbraw/zinc/45/11/80/1214451180.db2.gz UVKUNOACDRKXET-FCEWJHQRSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001040103667 1214467758 /nfs/dbraw/zinc/46/77/58/1214467758.db2.gz BYFICUGKAJGQEA-FCEWJHQRSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](O)(CNC(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001040103667 1214467761 /nfs/dbraw/zinc/46/77/61/1214467761.db2.gz BYFICUGKAJGQEA-FCEWJHQRSA-N 1 3 368.522 0.137 20 0 FCADHO COC(=O)[C@H]1CNCCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001222415247 1225623810 /nfs/dbraw/zinc/62/38/10/1225623810.db2.gz UKFXURIIVLHHCK-MRXNPFEDSA-N 1 3 358.446 0.143 20 0 FCADHO CCN(CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055957080 1215926735 /nfs/dbraw/zinc/92/67/35/1215926735.db2.gz YGHWPJLJCJCLOX-MDZRGWNJSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055957080 1215926739 /nfs/dbraw/zinc/92/67/39/1215926739.db2.gz YGHWPJLJCJCLOX-MDZRGWNJSA-N 1 3 368.522 0.138 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)[C@@H](c2ccccc2)C1 ZINC001000359533 1216041821 /nfs/dbraw/zinc/04/18/21/1216041821.db2.gz SNZRNJQBCWZSMT-MSOLQXFVSA-N 1 3 367.453 0.625 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)[C@@H](c2ccccc2)C1 ZINC001000359533 1216041826 /nfs/dbraw/zinc/04/18/26/1216041826.db2.gz SNZRNJQBCWZSMT-MSOLQXFVSA-N 1 3 367.453 0.625 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050524605 1216331232 /nfs/dbraw/zinc/33/12/32/1216331232.db2.gz HWHORPWMEOZIAT-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050524605 1216331238 /nfs/dbraw/zinc/33/12/38/1216331238.db2.gz HWHORPWMEOZIAT-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001052393784 1216546422 /nfs/dbraw/zinc/54/64/22/1216546422.db2.gz QMQAWAFPIHADNV-OWCLPIDISA-N 1 3 364.490 0.446 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001052393784 1216546427 /nfs/dbraw/zinc/54/64/27/1216546427.db2.gz QMQAWAFPIHADNV-OWCLPIDISA-N 1 3 364.490 0.446 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223379855 1225702547 /nfs/dbraw/zinc/70/25/47/1225702547.db2.gz YXEPVOZVSQUOOD-CVEARBPZSA-N 1 3 364.490 0.400 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939971 1225752206 /nfs/dbraw/zinc/75/22/06/1225752206.db2.gz LXGAWQDKKUXVTN-FQEVSTJZSA-N 1 3 364.534 0.870 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC[N@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939971 1225752212 /nfs/dbraw/zinc/75/22/12/1225752212.db2.gz LXGAWQDKKUXVTN-FQEVSTJZSA-N 1 3 364.534 0.870 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)CC1 ZINC001095964740 1217789549 /nfs/dbraw/zinc/78/95/49/1217789549.db2.gz ABBWKILFCOVZKW-BDXSIMOUSA-N 1 3 361.490 0.307 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959471 1225768850 /nfs/dbraw/zinc/76/88/50/1225768850.db2.gz RGBWKVDQRHRVIZ-HXUWFJFHSA-N 1 3 366.550 0.709 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@H+]3CC(C)(C)CO)C2=O)CC1 ZINC001276959471 1225768855 /nfs/dbraw/zinc/76/88/55/1225768855.db2.gz RGBWKVDQRHRVIZ-HXUWFJFHSA-N 1 3 366.550 0.709 20 0 FCADHO O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000900601306 1218011220 /nfs/dbraw/zinc/01/12/20/1218011220.db2.gz MFPZMKOMNJGERD-WZOJCFFYSA-N 1 3 365.518 0.935 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(CC(=O)N(C)C4CC4)C[C@H]3C2)CC[N@@H+]1C ZINC001048827767 1218322402 /nfs/dbraw/zinc/32/24/02/1218322402.db2.gz FOEHVRNHSJNJBX-CIRFHOKZSA-N 1 3 362.518 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(CC(=O)N(C)C4CC4)C[C@H]3C2)CC[N@H+]1C ZINC001048827767 1218322408 /nfs/dbraw/zinc/32/24/08/1218322408.db2.gz FOEHVRNHSJNJBX-CIRFHOKZSA-N 1 3 362.518 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@H](C)C(=O)NC4CC4)C[C@H]3C2)CC[N@@H+]1C ZINC001048830418 1218325061 /nfs/dbraw/zinc/32/50/61/1218325061.db2.gz NMBYDBXOHLWRTA-OSBBLCOHSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN([C@H](C)C(=O)NC4CC4)C[C@H]3C2)CC[N@H+]1C ZINC001048830418 1218325066 /nfs/dbraw/zinc/32/50/66/1218325066.db2.gz NMBYDBXOHLWRTA-OSBBLCOHSA-N 1 3 362.518 0.774 20 0 FCADHO C(CN1CCC([NH2+][C@H]2CNCC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000903972083 1218576606 /nfs/dbraw/zinc/57/66/06/1218576606.db2.gz GOZPTJXVPAYOOK-LJQANCHMSA-N 1 3 366.550 0.531 20 0 FCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N1CCCCC1 ZINC001226267695 1225838171 /nfs/dbraw/zinc/83/81/71/1225838171.db2.gz PHPWGQVXZIPYJI-ZIAGYGMSSA-N 1 3 367.494 0.463 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCc3ncnn32)CC1 ZINC001097779549 1218845240 /nfs/dbraw/zinc/84/52/40/1218845240.db2.gz QPGUYGDXJANVKR-VQHPVUNQSA-N 1 3 358.490 0.829 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226817475 1225855195 /nfs/dbraw/zinc/85/51/95/1225855195.db2.gz DWGWKROOWGVAGS-NWANDNLSSA-N 1 3 367.494 0.332 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831093 1225855500 /nfs/dbraw/zinc/85/55/00/1225855500.db2.gz OAMXPMUXUUDXTI-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804058337 1219113086 /nfs/dbraw/zinc/11/30/86/1219113086.db2.gz ZVLLLJZMCCYPEQ-IXDOHACOSA-N 1 3 366.506 0.347 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804058337 1219113088 /nfs/dbraw/zinc/11/30/88/1219113088.db2.gz ZVLLLJZMCCYPEQ-IXDOHACOSA-N 1 3 366.506 0.347 20 0 FCADHO CN(CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208970 1219294843 /nfs/dbraw/zinc/29/48/43/1219294843.db2.gz GZUCILFNZMBVQY-UAGQMJEPSA-N 1 3 362.478 0.140 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070539264 1219459193 /nfs/dbraw/zinc/45/91/93/1219459193.db2.gz FPVAZELYQIZEQJ-DOTOQJQBSA-N 1 3 368.445 0.167 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070629703 1219494348 /nfs/dbraw/zinc/49/43/48/1219494348.db2.gz RWSUKENUPIUKBT-KURKYZTESA-N 1 3 368.485 0.994 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099122461 1219921368 /nfs/dbraw/zinc/92/13/68/1219921368.db2.gz VBOSHLCZTQKLRT-BXWFABGCSA-N 1 3 363.506 0.324 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)C1 ZINC001099122461 1219921371 /nfs/dbraw/zinc/92/13/71/1219921371.db2.gz VBOSHLCZTQKLRT-BXWFABGCSA-N 1 3 363.506 0.324 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001099445988 1219999086 /nfs/dbraw/zinc/99/90/86/1219999086.db2.gz FWXIACGWVVHSLY-FCEWJHQRSA-N 1 3 362.518 0.968 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C ZINC001228660789 1225940528 /nfs/dbraw/zinc/94/05/28/1225940528.db2.gz JJIATGGJDKKZRE-KFWWJZLASA-N 1 3 367.494 0.332 20 0 FCADHO CCn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099535650 1220026524 /nfs/dbraw/zinc/02/65/24/1220026524.db2.gz QTASZXANEFJFPR-GJYPPUQNSA-N 1 3 360.506 0.968 20 0 FCADHO CCn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099535650 1220026528 /nfs/dbraw/zinc/02/65/28/1220026528.db2.gz QTASZXANEFJFPR-GJYPPUQNSA-N 1 3 360.506 0.968 20 0 FCADHO C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1)C1CC1 ZINC001101267590 1220256072 /nfs/dbraw/zinc/25/60/72/1220256072.db2.gz LOXCUSZWFVFNTN-HLIPFELVSA-N 1 3 362.518 0.633 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400329 1220323760 /nfs/dbraw/zinc/32/37/60/1220323760.db2.gz RGBRXQJAQPILIF-AOIWGVFYSA-N 1 3 371.522 0.132 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400329 1220323765 /nfs/dbraw/zinc/32/37/65/1220323765.db2.gz RGBRXQJAQPILIF-AOIWGVFYSA-N 1 3 371.522 0.132 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228932575 1225963021 /nfs/dbraw/zinc/96/30/21/1225963021.db2.gz QKJBZKVUUOHRND-KFWWJZLASA-N 1 3 367.494 0.461 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975843 1220449853 /nfs/dbraw/zinc/44/98/53/1220449853.db2.gz DDDHZPMPHQHUFQ-NXHRZFHOSA-N 1 3 364.534 0.879 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048813 1220477581 /nfs/dbraw/zinc/47/75/81/1220477581.db2.gz PPLDACFBJCKCCI-OLMNPRSZSA-N 1 3 368.522 0.163 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048813 1220477585 /nfs/dbraw/zinc/47/75/85/1220477585.db2.gz PPLDACFBJCKCCI-OLMNPRSZSA-N 1 3 368.522 0.163 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001103426898 1220880111 /nfs/dbraw/zinc/88/01/11/1220880111.db2.gz SDCPTLGPFJYLCX-KFWWJZLASA-N 1 3 369.510 0.376 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436313 1220882164 /nfs/dbraw/zinc/88/21/64/1220882164.db2.gz SVNIUZRIRHHKOE-JFIYKMOQSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001103436313 1220882165 /nfs/dbraw/zinc/88/21/65/1220882165.db2.gz SVNIUZRIRHHKOE-JFIYKMOQSA-N 1 3 364.534 0.929 20 0 FCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1C ZINC001103612683 1220913344 /nfs/dbraw/zinc/91/33/44/1220913344.db2.gz PNKUGXPIDOFXDV-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1C ZINC001103612683 1220913350 /nfs/dbraw/zinc/91/33/50/1220913350.db2.gz PNKUGXPIDOFXDV-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642217 1220925688 /nfs/dbraw/zinc/92/56/88/1220925688.db2.gz VAYUAYXKVOFQJR-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOCC ZINC001229853354 1226036889 /nfs/dbraw/zinc/03/68/89/1226036889.db2.gz RLEGXCCZDSKAIO-IAGOWNOFSA-N 1 3 370.538 0.888 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOCC ZINC001229853354 1226036894 /nfs/dbraw/zinc/03/68/94/1226036894.db2.gz RLEGXCCZDSKAIO-IAGOWNOFSA-N 1 3 370.538 0.888 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(N)=O)c3ccccn3)CC2)CC1 ZINC001118317033 1221757440 /nfs/dbraw/zinc/75/74/40/1221757440.db2.gz HPWJLLISCOINFG-GOSISDBHSA-N 1 3 373.501 0.921 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001230284487 1226071497 /nfs/dbraw/zinc/07/14/97/1226071497.db2.gz HGZUAJPFOIEFHE-HUUCEWRRSA-N 1 3 367.494 0.286 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118678842 1221818427 /nfs/dbraw/zinc/81/84/27/1221818427.db2.gz RVLIQIMJNLDQOV-DLBZAZTESA-N 1 3 364.490 0.053 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118678842 1221818428 /nfs/dbraw/zinc/81/84/28/1221818428.db2.gz RVLIQIMJNLDQOV-DLBZAZTESA-N 1 3 364.490 0.053 20 0 FCADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)c2)CC1 ZINC001120376888 1222074582 /nfs/dbraw/zinc/07/45/82/1222074582.db2.gz NQNCBLWCBVVOFD-PMACEKPBSA-N 1 3 363.502 0.426 20 0 FCADHO C[C@H]1Cn2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147977 1222244643 /nfs/dbraw/zinc/24/46/43/1222244643.db2.gz GNNITLVCHSTFQZ-GOEBONIOSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@H]1Cn2nc(C(=O)N(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147977 1222244651 /nfs/dbraw/zinc/24/46/51/1222244651.db2.gz GNNITLVCHSTFQZ-GOEBONIOSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@H]1Cn2nc(C(=O)N(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2CN1 ZINC001122147977 1222244658 /nfs/dbraw/zinc/24/46/58/1222244658.db2.gz GNNITLVCHSTFQZ-GOEBONIOSA-N 1 3 360.506 0.615 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCc1ccccc1F ZINC000839285746 1222718838 /nfs/dbraw/zinc/71/88/38/1222718838.db2.gz GUXKTGOJPXJQTC-UHFFFAOYSA-N 1 3 366.481 0.778 20 0 FCADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCCNCC3)cc2)CC1 ZINC000841149054 1222810064 /nfs/dbraw/zinc/81/00/64/1222810064.db2.gz CNCIRVPODRZPGT-UHFFFAOYSA-N 1 3 359.474 0.589 20 0 FCADHO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCCNCC3)cc2)CC1 ZINC000841149054 1222810067 /nfs/dbraw/zinc/81/00/67/1222810067.db2.gz CNCIRVPODRZPGT-UHFFFAOYSA-N 1 3 359.474 0.589 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000841162870 1222811368 /nfs/dbraw/zinc/81/13/68/1222811368.db2.gz NEJGFHCNQJYUQP-OAHLLOKOSA-N 1 3 359.474 0.574 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)cc2)CC1 ZINC000841189393 1222812723 /nfs/dbraw/zinc/81/27/23/1222812723.db2.gz GKDVSLPPNHKLPZ-GOSISDBHSA-N 1 3 373.501 0.977 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703919 1226163997 /nfs/dbraw/zinc/16/39/97/1226163997.db2.gz ISTWFYDJLQGVJX-XLIONFOSSA-N 1 3 361.486 0.912 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703919 1226164003 /nfs/dbraw/zinc/16/40/03/1226164003.db2.gz ISTWFYDJLQGVJX-XLIONFOSSA-N 1 3 361.486 0.912 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001157169696 1223069175 /nfs/dbraw/zinc/06/91/75/1223069175.db2.gz SZYDFBWWKAHKMO-HNNXBMFYSA-N 1 3 365.522 0.700 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001158499073 1223100664 /nfs/dbraw/zinc/10/06/64/1223100664.db2.gz VPUOFRFLUMNNRX-AMVTXUCVSA-N 1 3 363.433 0.838 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891370 1223112077 /nfs/dbraw/zinc/11/20/77/1223112077.db2.gz YBQBFGBPSLWDRB-DHSIGJKJSA-N 1 3 374.420 0.368 20 0 FCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891370 1223112080 /nfs/dbraw/zinc/11/20/80/1223112080.db2.gz YBQBFGBPSLWDRB-DHSIGJKJSA-N 1 3 374.420 0.368 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935467 1223113328 /nfs/dbraw/zinc/11/33/28/1223113328.db2.gz STNAODVXMLUNQB-OKZBNKHCSA-N 1 3 373.501 0.843 20 0 FCADHO Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H]2C[NH2+]CC24CNC4)CC3)cn1 ZINC001158983655 1223114794 /nfs/dbraw/zinc/11/47/94/1223114794.db2.gz WJZMLUCQLAYRPT-HOCLYGCPSA-N 1 3 359.474 0.094 20 0 FCADHO CN(Cc1cccnc1)[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425114 1223126844 /nfs/dbraw/zinc/12/68/44/1223126844.db2.gz PSOYFPLUYSTWGG-MLHJIOFPSA-N 1 3 361.490 0.338 20 0 FCADHO O=C(N1CCCn2cnc(CNC3CCC3)c2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159548405 1223129120 /nfs/dbraw/zinc/12/91/20/1223129120.db2.gz ADBTZUIPKAZSKM-IFXJQAMLSA-N 1 3 358.490 0.209 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159584103 1223130033 /nfs/dbraw/zinc/13/00/33/1223130033.db2.gz GNLGNOQJUZWMBP-CVEARBPZSA-N 1 3 359.474 0.077 20 0 FCADHO N[C@H](C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887481 1223138731 /nfs/dbraw/zinc/13/87/31/1223138731.db2.gz WEZJHYYRNTUCDY-PKOBYXMFSA-N 1 3 374.489 0.001 20 0 FCADHO N[C@@H](C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887479 1223139064 /nfs/dbraw/zinc/13/90/64/1223139064.db2.gz WEZJHYYRNTUCDY-IEBWSBKVSA-N 1 3 374.489 0.001 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159980081 1223141465 /nfs/dbraw/zinc/14/14/65/1223141465.db2.gz ITPWFMSRGNGVDX-INIZCTEOSA-N 1 3 373.505 0.919 20 0 FCADHO Cc1ccc(N2C[C@]3(CCN(C(=O)[C@@H]4C[NH2+]CC45CNC5)C3)CC2=O)s1 ZINC001160095233 1223145138 /nfs/dbraw/zinc/14/51/38/1223145138.db2.gz UGDKJDMYDMSTFT-KBXCAEBGSA-N 1 3 374.510 0.821 20 0 FCADHO N[C@H](C(=O)N1CCc2onc(COc3ccccn3)c2C1)C1CC[NH2+]CC1 ZINC001160177891 1223148224 /nfs/dbraw/zinc/14/82/24/1223148224.db2.gz AIDVWKPQEPADMR-SFHVURJKSA-N 1 3 371.441 0.860 20 0 FCADHO Cc1cc(CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n(C)n1 ZINC001160476098 1223161943 /nfs/dbraw/zinc/16/19/43/1223161943.db2.gz ZKYILFFAFWGTBU-HOTGVXAUSA-N 1 3 364.494 0.134 20 0 FCADHO O=C(c1c[nH]c2ccccc12)N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160536787 1223164226 /nfs/dbraw/zinc/16/42/26/1223164226.db2.gz ABKPZZIGMSOGOA-MRXNPFEDSA-N 1 3 367.453 0.261 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2ncccc2C1 ZINC001160548199 1223164875 /nfs/dbraw/zinc/16/48/75/1223164875.db2.gz AEBMWWZRHXYFTH-RDJZCZTQSA-N 1 3 359.474 0.414 20 0 FCADHO N[C@H](Cc1cnc[nH]1)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585945 1223165493 /nfs/dbraw/zinc/16/54/93/1223165493.db2.gz UROLCUUAPPCYQV-CQSZACIVSA-N 1 3 354.414 0.136 20 0 FCADHO O=C(COC1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1)NC1CC1 ZINC001160743668 1223170714 /nfs/dbraw/zinc/17/07/14/1223170714.db2.gz YEWSGYAKVMTKLR-MRXNPFEDSA-N 1 3 364.490 0.147 20 0 FCADHO O=C(COC1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1)NC1CC1 ZINC001160743668 1223170717 /nfs/dbraw/zinc/17/07/17/1223170717.db2.gz YEWSGYAKVMTKLR-MRXNPFEDSA-N 1 3 364.490 0.147 20 0 FCADHO CN(C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001160839985 1223176551 /nfs/dbraw/zinc/17/65/51/1223176551.db2.gz STSGCLFPJIFEOZ-HQRMLTQVSA-N 1 3 358.486 0.501 20 0 FCADHO CO[C@H](CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1)c1ccccc1 ZINC001160905544 1223180367 /nfs/dbraw/zinc/18/03/67/1223180367.db2.gz PSQUTBKOKPPDPN-SFHLNBCPSA-N 1 3 372.513 0.717 20 0 FCADHO [NH3+]CCc1cn(-c2nc3c(c(N4CCOCC4)n2)CNC3)c2ccncc12 ZINC001160949788 1223181901 /nfs/dbraw/zinc/18/19/01/1223181901.db2.gz FJTMGWCNTBIBNR-UHFFFAOYSA-N 1 3 365.441 0.757 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967167 1223182355 /nfs/dbraw/zinc/18/23/55/1223182355.db2.gz JVLLMKOIDYOIFL-STQMWFEESA-N 1 3 369.416 0.504 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001161039349 1223184215 /nfs/dbraw/zinc/18/42/15/1223184215.db2.gz RWPGJSHCLMDJFT-HNNXBMFYSA-N 1 3 373.428 0.961 20 0 FCADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@@H]1c1ccc(F)cc1 ZINC001161085119 1223185062 /nfs/dbraw/zinc/18/50/62/1223185062.db2.gz NPMRGJXTLIHGKP-PMPSAXMXSA-N 1 3 361.417 0.350 20 0 FCADHO COc1ccc(C(=O)N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)cc1 ZINC001161303205 1223194874 /nfs/dbraw/zinc/19/48/74/1223194874.db2.gz BWDZZFZUKVKJKN-OXQOHEQNSA-N 1 3 372.469 0.179 20 0 FCADHO COc1ccnc(N(C(=O)[C@@H](N)Cc2cncn2C)C2CC[NH2+]CC2)c1 ZINC001161389509 1223198000 /nfs/dbraw/zinc/19/80/00/1223198000.db2.gz QOANNSHYWMMQBP-INIZCTEOSA-N 1 3 358.446 0.479 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)CC2 ZINC001161480609 1223200984 /nfs/dbraw/zinc/20/09/84/1223200984.db2.gz PMBKVPWDXJFPFH-VFVRVIDISA-N 1 3 369.462 0.189 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N ZINC001161529781 1223204374 /nfs/dbraw/zinc/20/43/74/1223204374.db2.gz HBOFHXAKASWOJD-HACGYAERSA-N 1 3 371.485 0.881 20 0 FCADHO c1cc(NCc2nnn3c2CNCCC3)cn2nc([C@@H]3CC[NH2+]C3)nc12 ZINC001162978178 1223222892 /nfs/dbraw/zinc/22/28/92/1223222892.db2.gz TULAUZUEBAAMFI-GFCCVEGCSA-N 1 3 353.434 0.503 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205499713 1223328579 /nfs/dbraw/zinc/32/85/79/1223328579.db2.gz LBNHRXBSTMWKEL-YESZJQIVSA-N 1 3 371.497 0.598 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750781 1223476279 /nfs/dbraw/zinc/47/62/79/1223476279.db2.gz YELVXPUSUUZLHI-ZIAGYGMSSA-N 1 3 367.494 0.095 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001207750781 1223476283 /nfs/dbraw/zinc/47/62/83/1223476283.db2.gz YELVXPUSUUZLHI-ZIAGYGMSSA-N 1 3 367.494 0.095 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405159 1223539993 /nfs/dbraw/zinc/53/99/93/1223539993.db2.gz MERCZHYPJJNSGO-OIISXLGYSA-N 1 3 366.506 0.058 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405159 1223539995 /nfs/dbraw/zinc/53/99/95/1223539995.db2.gz MERCZHYPJJNSGO-OIISXLGYSA-N 1 3 366.506 0.058 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496480 1223552560 /nfs/dbraw/zinc/55/25/60/1223552560.db2.gz VMIVGXYSOFPMDX-QGPMSJSTSA-N 1 3 367.465 0.954 20 0 FCADHO C[C@@H](COCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738931 1223575081 /nfs/dbraw/zinc/57/50/81/1223575081.db2.gz LWRWROGBCIGIAU-FGTMMUONSA-N 1 3 363.506 0.821 20 0 FCADHO CO[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369547 1223791246 /nfs/dbraw/zinc/79/12/46/1223791246.db2.gz VHOXHYWXQXAEDQ-KZNAEPCWSA-N 1 3 369.506 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001214343688 1223902938 /nfs/dbraw/zinc/90/29/38/1223902938.db2.gz CKXPMWDCVWURTL-KBRIMQKVSA-N 1 3 362.518 0.822 20 0 FCADHO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214863809 1223949192 /nfs/dbraw/zinc/94/91/92/1223949192.db2.gz XKAZJGQZKWBCKK-BFYDXBDKSA-N 1 3 368.522 0.448 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056677 1223969029 /nfs/dbraw/zinc/96/90/29/1223969029.db2.gz AQJQFLDCVXXGLH-HZPDHXFCSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215227123 1223984004 /nfs/dbraw/zinc/98/40/04/1223984004.db2.gz YSFGPBZXVSKZAS-ZIAGYGMSSA-N 1 3 367.494 0.130 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215234401 1223984840 /nfs/dbraw/zinc/98/48/40/1223984840.db2.gz SVEGCRZSITVCTN-MGPQQGTHSA-N 1 3 367.494 0.271 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NCc1ccco1 ZINC001215416761 1223998434 /nfs/dbraw/zinc/99/84/34/1223998434.db2.gz ZVWMDJUMRMFIOJ-GDBMZVCRSA-N 1 3 362.474 0.674 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCc1ccc(F)cc1 ZINC001215460751 1224000868 /nfs/dbraw/zinc/00/08/68/1224000868.db2.gz FOWVKTNHMFVFMF-RHSMWYFYSA-N 1 3 364.465 0.830 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215557946 1224005819 /nfs/dbraw/zinc/00/58/19/1224005819.db2.gz GBPWOPDJIHPZOP-HZPDHXFCSA-N 1 3 370.538 0.554 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773929 1224016958 /nfs/dbraw/zinc/01/69/58/1224016958.db2.gz DUMHBBNSLCJEGE-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1)C(C)C ZINC001215977149 1224028421 /nfs/dbraw/zinc/02/84/21/1224028421.db2.gz HTNKYRUMMAGZRE-IIAWOOMASA-N 1 3 369.510 0.245 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216002515 1224029228 /nfs/dbraw/zinc/02/92/28/1224029228.db2.gz SPSUTUJQAFHUIF-ZIAGYGMSSA-N 1 3 369.510 0.389 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216099585 1224034154 /nfs/dbraw/zinc/03/41/54/1224034154.db2.gz UUINKABMJOOJDH-JKIFEVAISA-N 1 3 366.506 0.201 20 0 FCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216324254 1224044579 /nfs/dbraw/zinc/04/45/79/1224044579.db2.gz SINZHJNEGBTZPZ-RBSFLKMASA-N 1 3 367.494 0.272 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216324254 1224044582 /nfs/dbraw/zinc/04/45/82/1224044582.db2.gz SINZHJNEGBTZPZ-RBSFLKMASA-N 1 3 367.494 0.272 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC[C@H](C)C1 ZINC001216401924 1224048746 /nfs/dbraw/zinc/04/87/46/1224048746.db2.gz QOVWXPCOTOGSQY-GVDBMIGSSA-N 1 3 368.522 0.260 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)Cc1ccco1 ZINC001216752411 1224068615 /nfs/dbraw/zinc/06/86/15/1224068615.db2.gz NXSDAMSWVQMCDR-BFYDXBDKSA-N 1 3 362.474 0.626 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)Cc1ccco1 ZINC001216752411 1224068617 /nfs/dbraw/zinc/06/86/17/1224068617.db2.gz NXSDAMSWVQMCDR-BFYDXBDKSA-N 1 3 362.474 0.626 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC001216754167 1224068659 /nfs/dbraw/zinc/06/86/59/1224068659.db2.gz JSQTXJUHLJIDSG-KBRIMQKVSA-N 1 3 362.518 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC001216754167 1224068661 /nfs/dbraw/zinc/06/86/61/1224068661.db2.gz JSQTXJUHLJIDSG-KBRIMQKVSA-N 1 3 362.518 0.679 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216774412 1224071385 /nfs/dbraw/zinc/07/13/85/1224071385.db2.gz WSNMWKFULPBZDW-QLFBSQMISA-N 1 3 367.494 0.272 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000986773294 1248995136 /nfs/dbraw/zinc/99/51/36/1248995136.db2.gz ZGMSNFZWJDOVBI-RYRKJORJSA-N 1 3 371.485 0.601 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848614829 1245375169 /nfs/dbraw/zinc/37/51/69/1245375169.db2.gz YGWNHYIWPILXFR-ZWKOTPCHSA-N 1 3 358.486 0.937 20 0 FCADHO [NH2+]=C(NCC(=O)N1CCOCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849076587 1245392187 /nfs/dbraw/zinc/39/21/87/1245392187.db2.gz PDPVQDGWMSGYEZ-UHFFFAOYSA-N 1 3 359.474 0.624 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)CC[N@@H+]1C ZINC000994091521 1250187125 /nfs/dbraw/zinc/18/71/25/1250187125.db2.gz WAXBXSMICFAVOL-TXCZRRACSA-N 1 3 361.490 0.893 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)CC[N@H+]1C ZINC000994091521 1250187132 /nfs/dbraw/zinc/18/71/32/1250187132.db2.gz WAXBXSMICFAVOL-TXCZRRACSA-N 1 3 361.490 0.893 20 0 FCADHO C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601468 1245457062 /nfs/dbraw/zinc/45/70/62/1245457062.db2.gz GABROYUMPHYTQA-SJORKVTESA-N 1 3 367.538 0.328 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517804 1245504226 /nfs/dbraw/zinc/50/42/26/1245504226.db2.gz XQDPOXSCSGOJOT-ATZDWAIDSA-N 1 3 370.497 0.918 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517804 1245504228 /nfs/dbraw/zinc/50/42/28/1245504228.db2.gz XQDPOXSCSGOJOT-ATZDWAIDSA-N 1 3 370.497 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000994485190 1250488653 /nfs/dbraw/zinc/48/86/53/1250488653.db2.gz DPSAVLKFIYVOBO-FXUDXRNXSA-N 1 3 361.490 0.893 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000994485190 1250488660 /nfs/dbraw/zinc/48/86/60/1250488660.db2.gz DPSAVLKFIYVOBO-FXUDXRNXSA-N 1 3 361.490 0.893 20 0 FCADHO 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359.474 0.923 20 0 FCADHO CN1CC[C@H](N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426354 1259912464 /nfs/dbraw/zinc/91/24/64/1259912464.db2.gz COMBLCDGRLAJNL-HFTRVMKXSA-N 1 3 365.453 0.521 20 0 FCADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCN(C(C)C)CC2)C[C@H]1C(=O)OC ZINC001257721400 1260025750 /nfs/dbraw/zinc/02/57/50/1260025750.db2.gz UXPNTQOVTAYRLI-BRWVUGGUSA-N 1 3 369.506 0.733 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC001261375481 1260128477 /nfs/dbraw/zinc/12/84/77/1260128477.db2.gz QHTHTBMMTPEWFZ-MOPGFXCFSA-N 1 3 357.502 0.937 20 0 FCADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500436 1260151830 /nfs/dbraw/zinc/15/18/30/1260151830.db2.gz RUBOIXGGBNIWGS-HNAYVOBHSA-N 1 3 368.522 0.578 20 0 FCADHO CCN1CCN(CC[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC001336732953 1260210990 /nfs/dbraw/zinc/21/09/90/1260210990.db2.gz IVGQLDKAUXARCY-GOSISDBHSA-N 1 3 364.490 0.612 20 0 FCADHO CN1CCN(c2ccccc2CNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC001262170282 1260274002 /nfs/dbraw/zinc/27/40/02/1260274002.db2.gz IUBRVQKTZPBWOU-UHFFFAOYSA-N 1 3 359.518 0.548 20 0 FCADHO CN1CCN(c2ccccc2CNC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC001262170282 1260274004 /nfs/dbraw/zinc/27/40/04/1260274004.db2.gz IUBRVQKTZPBWOU-UHFFFAOYSA-N 1 3 359.518 0.548 20 0 FCADHO CN(CC[NH+]1CCCCC1)c1nnc(C2CCN(CCO)CC2)n1C ZINC001338273318 1260605786 /nfs/dbraw/zinc/60/57/86/1260605786.db2.gz XWESWCYFERUZRV-UHFFFAOYSA-N 1 3 350.511 0.909 20 0 FCADHO COCCN1CC2(C1)CCOC[C@@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279720812 1260921224 /nfs/dbraw/zinc/92/12/24/1260921224.db2.gz JWWLCGULOGSPLW-MRXNPFEDSA-N 1 3 365.478 0.368 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C23CC(NCc4ccnnc4)(C2)C3)cn1 ZINC001279859448 1260945751 /nfs/dbraw/zinc/94/57/51/1260945751.db2.gz LXXTUMACGVHNHK-UHFFFAOYSA-N 1 3 355.446 0.886 20 0 FCADHO C[NH+]1CCC(C)(CN2C[C@@H]3C(C(=O)NCc4c[nH]cn4)=NO[C@@H]3C2)CC1 ZINC001280211261 1261034129 /nfs/dbraw/zinc/03/41/29/1261034129.db2.gz RRDASGSAUCJLHD-LSDHHAIUSA-N 1 3 360.462 0.444 20 0 FCADHO C[NH+]1CCC(C)(CN2CC3(C[C@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280211618 1261034434 /nfs/dbraw/zinc/03/44/34/1261034434.db2.gz YUKDDQHUFUMBBJ-HNNXBMFYSA-N 1 3 358.490 0.674 20 0 FCADHO CN(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218407 1261037897 /nfs/dbraw/zinc/03/78/97/1261037897.db2.gz IALQQHYLZIIWLJ-LJQANCHMSA-N 1 3 361.490 0.510 20 0 FCADHO CN(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218407 1261037902 /nfs/dbraw/zinc/03/79/02/1261037902.db2.gz IALQQHYLZIIWLJ-LJQANCHMSA-N 1 3 361.490 0.510 20 0 FCADHO C[NH+](C)CCCN1CCN(CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280223147 1261039384 /nfs/dbraw/zinc/03/93/84/1261039384.db2.gz CZOGOTMTDSSKPK-LJQANCHMSA-N 1 3 362.522 0.491 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580322782 1278122951 /nfs/dbraw/zinc/12/29/51/1278122951.db2.gz TYWKSRKXSNFVGI-KBRIMQKVSA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580322782 1278122955 /nfs/dbraw/zinc/12/29/55/1278122955.db2.gz TYWKSRKXSNFVGI-KBRIMQKVSA-N 1 3 369.473 0.755 20 0 FCADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001316703056 1263429726 /nfs/dbraw/zinc/42/97/26/1263429726.db2.gz CGOCLAPIPCLAGR-KGLIPLIRSA-N 1 3 367.494 0.001 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC001319273195 1263671824 /nfs/dbraw/zinc/67/18/24/1263671824.db2.gz SVHYMAAMFFWUKZ-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001580403000 1278235146 /nfs/dbraw/zinc/23/51/46/1278235146.db2.gz HYBMEGANNIJIFJ-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO COC[C@]1(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)CC[NH2+]C1 ZINC001326792438 1265167467 /nfs/dbraw/zinc/16/74/67/1265167467.db2.gz HTOMOTHKXYIFTB-FQEVSTJZSA-N 1 3 360.502 0.676 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001514949495 1265385030 /nfs/dbraw/zinc/38/50/30/1265385030.db2.gz LXACUZUXABGWIX-DMRKSPOLSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC001514949495 1265385044 /nfs/dbraw/zinc/38/50/44/1265385044.db2.gz LXACUZUXABGWIX-DMRKSPOLSA-N 1 3 350.507 0.679 20 0 FCADHO CNC(=O)CN1CCC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC001333088761 1266535609 /nfs/dbraw/zinc/53/56/09/1266535609.db2.gz BSVMKOAJRCTFMY-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO Cn1cc([C@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@H]2[NH3+])cn1 ZINC001549074330 1267798717 /nfs/dbraw/zinc/79/87/17/1267798717.db2.gz QTMYBDOWCQJVDP-IAGOWNOFSA-N 1 3 361.490 0.708 20 0 FCADHO CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486177 1268127318 /nfs/dbraw/zinc/12/73/18/1268127318.db2.gz KENYMCKZBHEERW-VBXOEGAOSA-N 1 3 365.518 0.836 20 0 FCADHO CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486177 1268127322 /nfs/dbraw/zinc/12/73/22/1268127322.db2.gz KENYMCKZBHEERW-VBXOEGAOSA-N 1 3 365.518 0.836 20 0 FCADHO Cn1nccc1[C@@H]1[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704548 1268153274 /nfs/dbraw/zinc/15/32/74/1268153274.db2.gz ZUMGYSXUZZXWDG-FCEWJHQRSA-N 1 3 373.501 0.973 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)N(C)C1 ZINC001550762510 1268164059 /nfs/dbraw/zinc/16/40/59/1268164059.db2.gz POSYPHWMEAIJQA-ARFHVFGLSA-N 1 3 354.495 0.506 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001339153243 1268177379 /nfs/dbraw/zinc/17/73/79/1268177379.db2.gz PDCCVSRQSADDHS-HOTGVXAUSA-N 1 3 370.563 0.921 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)CSCC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339153243 1268177385 /nfs/dbraw/zinc/17/73/85/1268177385.db2.gz PDCCVSRQSADDHS-HOTGVXAUSA-N 1 3 370.563 0.921 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC001550911270 1268183358 /nfs/dbraw/zinc/18/33/58/1268183358.db2.gz AANDQWXCPJZENC-SUMWQHHRSA-N 1 3 365.865 0.910 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001551156007 1268208925 /nfs/dbraw/zinc/20/89/25/1268208925.db2.gz ACOIKYDZHSZPND-DHADLLTHSA-N 1 3 351.491 0.999 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001551156007 1268208932 /nfs/dbraw/zinc/20/89/32/1268208932.db2.gz ACOIKYDZHSZPND-DHADLLTHSA-N 1 3 351.491 0.999 20 0 FCADHO CC1([NH+]2CCOCC2)CCC(NC(=O)N[C@@H]2CCCN(CCO)C2)CC1 ZINC001551279128 1268220885 /nfs/dbraw/zinc/22/08/85/1268220885.db2.gz XWIOBKUDGYUQIC-TVRKMHQQSA-N 1 3 368.522 0.776 20 0 FCADHO CN1C[C@@H](O)C[C@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275659 1268221525 /nfs/dbraw/zinc/22/15/25/1268221525.db2.gz WEFOULPGDYUCAR-LPMVOBIJSA-N 1 3 354.495 0.384 20 0 FCADHO CC(C)[NH+]1CCN(CCCC(=O)N2CC(N3CCN(C)CC3)C2)CC1 ZINC001339426089 1268235528 /nfs/dbraw/zinc/23/55/28/1268235528.db2.gz GJKIREQHHHDABV-UHFFFAOYSA-N 1 3 351.539 0.251 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202168 1268408112 /nfs/dbraw/zinc/40/81/12/1268408112.db2.gz BUAIZRWHICNVGJ-TZIWHRDSSA-N 1 3 372.513 0.676 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606550 1268488897 /nfs/dbraw/zinc/48/88/97/1268488897.db2.gz CGBFXMVBSYPCBC-BZUAXINKSA-N 1 3 363.510 0.895 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606550 1268488900 /nfs/dbraw/zinc/48/89/00/1268488900.db2.gz CGBFXMVBSYPCBC-BZUAXINKSA-N 1 3 363.510 0.895 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC001552798893 1268549860 /nfs/dbraw/zinc/54/98/60/1268549860.db2.gz GERRVTNDLMXSRX-KZNAEPCWSA-N 1 3 368.522 0.726 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC2CCN(CCO)CC2)C1 ZINC001552798893 1268549868 /nfs/dbraw/zinc/54/98/68/1268549868.db2.gz GERRVTNDLMXSRX-KZNAEPCWSA-N 1 3 368.522 0.726 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)N3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)c2)CC1 ZINC001553440737 1268650479 /nfs/dbraw/zinc/65/04/79/1268650479.db2.gz BCVZNRRYECKSSC-LDLYASANSA-N 1 3 357.502 0.780 20 0 FCADHO O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553503107 1268660002 /nfs/dbraw/zinc/66/00/02/1268660002.db2.gz MRIGJKGSAVAEJJ-XMTFNYHQSA-N 1 3 366.506 0.384 20 0 FCADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H](N)C(C)(C)O)CC1 ZINC001340891941 1268694898 /nfs/dbraw/zinc/69/48/98/1268694898.db2.gz CRSFXYHJJFATEY-QGZVFWFLSA-N 1 3 364.490 0.374 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341731988 1269175738 /nfs/dbraw/zinc/17/57/38/1269175738.db2.gz HSSBMFPUCCLNOO-NRFANRHFSA-N 1 3 374.529 0.945 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCNC3=O)CC2)CC1 ZINC001563842725 1269399334 /nfs/dbraw/zinc/39/93/34/1269399334.db2.gz JADNAMOLVJTHPN-CQSZACIVSA-N 1 3 351.495 0.370 20 0 FCADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001342271918 1269413898 /nfs/dbraw/zinc/41/38/98/1269413898.db2.gz PUWGPLZBXCSQFE-SQWLQELKSA-N 1 3 357.376 0.890 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001567035922 1269675394 /nfs/dbraw/zinc/67/53/94/1269675394.db2.gz LARIHNYVAUCBGV-SJLPKXTDSA-N 1 3 353.507 0.696 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001571331261 1269927753 /nfs/dbraw/zinc/92/77/53/1269927753.db2.gz OHFVIMPEVIORTL-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001571331261 1269927757 /nfs/dbraw/zinc/92/77/57/1269927757.db2.gz OHFVIMPEVIORTL-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596083 1271395231 /nfs/dbraw/zinc/39/52/31/1271395231.db2.gz HVTDGTFZHVVAGB-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596083 1271395238 /nfs/dbraw/zinc/39/52/38/1271395238.db2.gz HVTDGTFZHVVAGB-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596083 1271395244 /nfs/dbraw/zinc/39/52/44/1271395244.db2.gz HVTDGTFZHVVAGB-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596083 1271395249 /nfs/dbraw/zinc/39/52/49/1271395249.db2.gz HVTDGTFZHVVAGB-CJNGLKHVSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896673 1271659450 /nfs/dbraw/zinc/65/94/50/1271659450.db2.gz GGRVIWKBMQIMQY-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896673 1271659453 /nfs/dbraw/zinc/65/94/53/1271659453.db2.gz GGRVIWKBMQIMQY-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896673 1271659459 /nfs/dbraw/zinc/65/94/59/1271659459.db2.gz GGRVIWKBMQIMQY-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896673 1271659465 /nfs/dbraw/zinc/65/94/65/1271659465.db2.gz GGRVIWKBMQIMQY-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCC[C@](N)(CO)C2)CC1 ZINC001575172692 1271763074 /nfs/dbraw/zinc/76/30/74/1271763074.db2.gz OBDJQCVHBVRPFJ-CRAIPNDOSA-N 1 3 357.495 0.780 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2CCC[C@](N)(CO)C2)CC1 ZINC001575172692 1271763084 /nfs/dbraw/zinc/76/30/84/1271763084.db2.gz OBDJQCVHBVRPFJ-CRAIPNDOSA-N 1 3 357.495 0.780 20 0 FCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575391182 1272036765 /nfs/dbraw/zinc/03/67/65/1272036765.db2.gz HBYFAROSWBTWTB-UONOGXRCSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H](NCc1c[nH]nn1)[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702729 1272326171 /nfs/dbraw/zinc/32/61/71/1272326171.db2.gz OYUOYPMVVMVSBF-NVXWUHKLSA-N 1 3 364.494 0.776 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@H](CNCc2cn[nH]n2)C(C)(C)C)n1 ZINC001576750124 1273620766 /nfs/dbraw/zinc/62/07/66/1273620766.db2.gz MIRTWANVXUXHJT-OAHLLOKOSA-N 1 3 362.482 0.497 20 0 FCADHO C[NH+]1CCC(OCC(=O)NCC[C@@H]2CCN(Cc3c[nH]nn3)C2)CC1 ZINC001576882096 1273862844 /nfs/dbraw/zinc/86/28/44/1273862844.db2.gz HOBCDJDQIJVZMU-CQSZACIVSA-N 1 3 350.467 0.244 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902878 1273908825 /nfs/dbraw/zinc/90/88/25/1273908825.db2.gz GHEAOACJRZJPSZ-HZPDHXFCSA-N 1 3 362.478 0.181 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902878 1273908832 /nfs/dbraw/zinc/90/88/32/1273908832.db2.gz GHEAOACJRZJPSZ-HZPDHXFCSA-N 1 3 362.478 0.181 20 0 FCADHO O=C(CCN1CCOCC1)NCCC1=CC[N@H+](CCc2cn[nH]n2)CC1 ZINC001577872964 1275063940 /nfs/dbraw/zinc/06/39/40/1275063940.db2.gz RDPLYMBIHLISBI-UHFFFAOYSA-N 1 3 362.478 0.208 20 0 FCADHO O=C(CCN1CCOCC1)NCCC1=CC[N@@H+](CCc2cn[nH]n2)CC1 ZINC001577872964 1275063945 /nfs/dbraw/zinc/06/39/45/1275063945.db2.gz RDPLYMBIHLISBI-UHFFFAOYSA-N 1 3 362.478 0.208 20 0 FCADHO O=C(CN1CCCC1)N1C[C@@H](C[NH2+]CCc2cn[nH]n2)[C@@H](C(F)(F)F)C1 ZINC001577922629 1275129268 /nfs/dbraw/zinc/12/92/68/1275129268.db2.gz FMXCHCBALSIECI-OCCSQVGLSA-N 1 3 374.411 0.670 20 0 FCADHO CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001578109821 1275411957 /nfs/dbraw/zinc/41/19/57/1275411957.db2.gz JIPBYQCRLRLBRD-ZDUSSCGKSA-N 1 3 372.477 0.594 20 0 FCADHO CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001578109821 1275411963 /nfs/dbraw/zinc/41/19/63/1275411963.db2.gz JIPBYQCRLRLBRD-ZDUSSCGKSA-N 1 3 372.477 0.594 20 0 FCADHO CCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001578326641 1275672655 /nfs/dbraw/zinc/67/26/55/1275672655.db2.gz MQAFTOQOXYHQKO-HNNXBMFYSA-N 1 3 365.526 0.030 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001578973538 1276521050 /nfs/dbraw/zinc/52/10/50/1276521050.db2.gz RWZNOOJXIKACPL-SHTZXODSSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001578973538 1276521051 /nfs/dbraw/zinc/52/10/51/1276521051.db2.gz RWZNOOJXIKACPL-SHTZXODSSA-N 1 3 369.473 0.945 20 0 FCADHO COC[C@@]1(CN(C)C)COCCN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC001578981115 1276541996 /nfs/dbraw/zinc/54/19/96/1276541996.db2.gz RIHRIBSAWBMUMA-SLYIFPAJSA-N 1 3 353.507 0.946 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578990482 1276563930 /nfs/dbraw/zinc/56/39/30/1276563930.db2.gz CDUHAFMBHDZUGE-GASCZTMLSA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578990482 1276563931 /nfs/dbraw/zinc/56/39/31/1276563931.db2.gz CDUHAFMBHDZUGE-GASCZTMLSA-N 1 3 357.462 0.945 20 0 FCADHO COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579022449 1276601510 /nfs/dbraw/zinc/60/15/10/1276601510.db2.gz VSDRCUNLMJXFCK-INIZCTEOSA-N 1 3 373.505 0.640 20 0 FCADHO CN(CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579326587 1277149776 /nfs/dbraw/zinc/14/97/76/1277149776.db2.gz PRKORLKSQKIAPY-LBPRGKRZSA-N 1 3 361.425 0.506 20 0 FCADHO CN(CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579326587 1277149778 /nfs/dbraw/zinc/14/97/78/1277149778.db2.gz PRKORLKSQKIAPY-LBPRGKRZSA-N 1 3 361.425 0.506 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331354 1277160269 /nfs/dbraw/zinc/16/02/69/1277160269.db2.gz AUXZVINJRJZYOI-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331354 1277160272 /nfs/dbraw/zinc/16/02/72/1277160272.db2.gz AUXZVINJRJZYOI-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333362 1277169419 /nfs/dbraw/zinc/16/94/19/1277169419.db2.gz QEHDLNDTLBMGSE-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333362 1277169422 /nfs/dbraw/zinc/16/94/22/1277169422.db2.gz QEHDLNDTLBMGSE-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333362 1277169423 /nfs/dbraw/zinc/16/94/23/1277169423.db2.gz QEHDLNDTLBMGSE-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333362 1277169426 /nfs/dbraw/zinc/16/94/26/1277169426.db2.gz QEHDLNDTLBMGSE-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579334944 1277173357 /nfs/dbraw/zinc/17/33/57/1277173357.db2.gz KEDNLBUHBGOXPG-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579334944 1277173358 /nfs/dbraw/zinc/17/33/58/1277173358.db2.gz KEDNLBUHBGOXPG-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579334944 1277173359 /nfs/dbraw/zinc/17/33/59/1277173359.db2.gz KEDNLBUHBGOXPG-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579334944 1277173360 /nfs/dbraw/zinc/17/33/60/1277173360.db2.gz KEDNLBUHBGOXPG-WIHSUSGWSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339562 1277182893 /nfs/dbraw/zinc/18/28/93/1277182893.db2.gz JLNGUORAAYUXPX-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339562 1277182898 /nfs/dbraw/zinc/18/28/98/1277182898.db2.gz JLNGUORAAYUXPX-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339562 1277182903 /nfs/dbraw/zinc/18/29/03/1277182903.db2.gz JLNGUORAAYUXPX-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339562 1277182905 /nfs/dbraw/zinc/18/29/05/1277182905.db2.gz JLNGUORAAYUXPX-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579347952 1277203086 /nfs/dbraw/zinc/20/30/86/1277203086.db2.gz RCJVGKKFXXKBMD-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579347952 1277203088 /nfs/dbraw/zinc/20/30/88/1277203088.db2.gz RCJVGKKFXXKBMD-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579347952 1277203090 /nfs/dbraw/zinc/20/30/90/1277203090.db2.gz RCJVGKKFXXKBMD-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579347952 1277203092 /nfs/dbraw/zinc/20/30/92/1277203092.db2.gz RCJVGKKFXXKBMD-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001579440077 1277317001 /nfs/dbraw/zinc/31/70/01/1277317001.db2.gz NPYQXDFOMWAJPZ-CQSZACIVSA-N 1 3 350.463 0.597 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580277024 1278073132 /nfs/dbraw/zinc/07/31/32/1278073132.db2.gz QVBBAVPGSHKHOV-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580277024 1278073139 /nfs/dbraw/zinc/07/31/39/1278073139.db2.gz QVBBAVPGSHKHOV-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580277024 1278073151 /nfs/dbraw/zinc/07/31/51/1278073151.db2.gz QVBBAVPGSHKHOV-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580277024 1278073162 /nfs/dbraw/zinc/07/31/62/1278073162.db2.gz QVBBAVPGSHKHOV-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949103 1279155418 /nfs/dbraw/zinc/15/54/18/1279155418.db2.gz NSYPKEBKJNUZHI-ZIAGYGMSSA-N 1 3 372.477 0.995 20 0 FCADHO Cc1cc(N[C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991414 1279195066 /nfs/dbraw/zinc/19/50/66/1279195066.db2.gz OQFWJEJYACMHCU-CHWSQXEVSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(N[C@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991414 1279195072 /nfs/dbraw/zinc/19/50/72/1279195072.db2.gz OQFWJEJYACMHCU-CHWSQXEVSA-N 1 3 372.477 0.641 20 0 FCADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716103411 1287373362 /nfs/dbraw/zinc/37/33/62/1287373362.db2.gz PIPBKTRDFXVXLH-QRVBRYPASA-N 1 3 371.485 0.332 20 0 FCADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001716103411 1287373363 /nfs/dbraw/zinc/37/33/63/1287373363.db2.gz PIPBKTRDFXVXLH-QRVBRYPASA-N 1 3 371.485 0.332 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1 ZINC001719069218 1287652178 /nfs/dbraw/zinc/65/21/78/1287652178.db2.gz HBFPAFVOOGXINA-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001591175953 1284266518 /nfs/dbraw/zinc/26/65/18/1284266518.db2.gz AHODPUPLNZKFFU-CWRNSKLLSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001591175953 1284266525 /nfs/dbraw/zinc/26/65/25/1284266525.db2.gz AHODPUPLNZKFFU-CWRNSKLLSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001591175953 1284266537 /nfs/dbraw/zinc/26/65/37/1284266537.db2.gz AHODPUPLNZKFFU-CWRNSKLLSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001591175953 1284266542 /nfs/dbraw/zinc/26/65/42/1284266542.db2.gz AHODPUPLNZKFFU-CWRNSKLLSA-N 1 3 369.473 0.945 20 0 FCADHO Cc1cc(NCCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047170 1285089853 /nfs/dbraw/zinc/08/98/53/1285089853.db2.gz KGARKCIOHJLWCL-ZDUSSCGKSA-N 1 3 372.477 0.594 20 0 FCADHO Cc1cc(NCCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047170 1285089856 /nfs/dbraw/zinc/08/98/56/1285089856.db2.gz KGARKCIOHJLWCL-ZDUSSCGKSA-N 1 3 372.477 0.594 20 0 FCADHO O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001592844978 1285752966 /nfs/dbraw/zinc/75/29/66/1285752966.db2.gz LINYRZKIHRWQRP-UHFFFAOYSA-N 1 3 357.462 0.949 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038324 1285921729 /nfs/dbraw/zinc/92/17/29/1285921729.db2.gz RYXJVJLESTZUPS-NVXWUHKLSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038324 1285921735 /nfs/dbraw/zinc/92/17/35/1285921735.db2.gz RYXJVJLESTZUPS-NVXWUHKLSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038324 1285921738 /nfs/dbraw/zinc/92/17/38/1285921738.db2.gz RYXJVJLESTZUPS-NVXWUHKLSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038324 1285921742 /nfs/dbraw/zinc/92/17/42/1285921742.db2.gz RYXJVJLESTZUPS-NVXWUHKLSA-N 1 3 369.473 0.947 20 0 FCADHO Cc1cc(NCCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001605733542 1288065335 /nfs/dbraw/zinc/06/53/35/1288065335.db2.gz FWSHXZSMRZUMIS-MRXNPFEDSA-N 1 3 374.493 0.839 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001735781532 1288906729 /nfs/dbraw/zinc/90/67/29/1288906729.db2.gz KIQHOPFUPKGGEE-HZPDHXFCSA-N 1 3 368.522 0.281 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001735781532 1288906736 /nfs/dbraw/zinc/90/67/36/1288906736.db2.gz KIQHOPFUPKGGEE-HZPDHXFCSA-N 1 3 368.522 0.281 20 0 FCADHO CN(CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1)CC(C)(C)C ZINC001691978656 1289355139 /nfs/dbraw/zinc/35/51/39/1289355139.db2.gz OVQJFMQROXPQSA-DLBZAZTESA-N 1 3 365.522 0.664 20 0 FCADHO CO[C@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001692130296 1289402477 /nfs/dbraw/zinc/40/24/77/1289402477.db2.gz HOAREAJSCJZXSK-YRGRVCCFSA-N 1 3 351.451 0.263 20 0 FCADHO CO[C@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001692130296 1289402482 /nfs/dbraw/zinc/40/24/82/1289402482.db2.gz HOAREAJSCJZXSK-YRGRVCCFSA-N 1 3 351.451 0.263 20 0 FCADHO CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001692278261 1289441381 /nfs/dbraw/zinc/44/13/81/1289441381.db2.gz ZVJZARGYGYLVTR-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001692319610 1289446688 /nfs/dbraw/zinc/44/66/88/1289446688.db2.gz RKDJJYWKOKKRID-OWCLPIDISA-N 1 3 359.536 0.732 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001692319610 1289446693 /nfs/dbraw/zinc/44/66/93/1289446693.db2.gz RKDJJYWKOKKRID-OWCLPIDISA-N 1 3 359.536 0.732 20 0 FCADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001693508497 1289472472 /nfs/dbraw/zinc/47/24/72/1289472472.db2.gz OFYZDALTEUOLML-UHFFFAOYSA-N 1 3 362.522 0.965 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001739447528 1290009987 /nfs/dbraw/zinc/00/99/87/1290009987.db2.gz BIVRROLGOJLNCP-BRWVUGGUSA-N 1 3 368.522 0.281 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001739447528 1290009997 /nfs/dbraw/zinc/00/99/97/1290009997.db2.gz BIVRROLGOJLNCP-BRWVUGGUSA-N 1 3 368.522 0.281 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cc(C)no3)C2)CC[N@@H+]1C ZINC001752732068 1290614758 /nfs/dbraw/zinc/61/47/58/1290614758.db2.gz ZSYUDEPMWHWTFN-LJISPDSOSA-N 1 3 363.462 0.889 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3cc(C)no3)C2)CC[N@H+]1C ZINC001752732068 1290614767 /nfs/dbraw/zinc/61/47/67/1290614767.db2.gz ZSYUDEPMWHWTFN-LJISPDSOSA-N 1 3 363.462 0.889 20 0 FCADHO CCOC(=O)C[C@@H](O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001652554703 1291284550 /nfs/dbraw/zinc/28/45/50/1291284550.db2.gz HSDTVKSJYPCXIF-MRXNPFEDSA-N 1 3 371.522 0.717 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001676422619 1292202622 /nfs/dbraw/zinc/20/26/22/1292202622.db2.gz XRHKYKIBYUXODQ-PBHICJAKSA-N 1 3 354.495 0.242 20 0 FCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001689098656 1294617457 /nfs/dbraw/zinc/61/74/57/1294617457.db2.gz VWGQXGGUQPEMNY-MCIONIFRSA-N 1 3 367.494 0.128 20 0 FCADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001691759164 1294919422 /nfs/dbraw/zinc/91/94/22/1294919422.db2.gz GUDMEKOMMCNFOH-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO c1ncc(O[C@@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164744164 720730128 /nfs/dbraw/zinc/73/01/28/720730128.db2.gz RIGJFWRLKIUBIS-LSDHHAIUSA-N 1 3 353.430 0.254 20 0 FCADHO Cn1cc(CN2CC[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164765743 721164047 /nfs/dbraw/zinc/16/40/47/721164047.db2.gz IDYRALTXHANCFL-RDJZCZTQSA-N 1 3 353.474 0.814 20 0 FCADHO Cn1cc(CN2CC[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@@H]3C2)cn1 ZINC001164765746 721165847 /nfs/dbraw/zinc/16/58/47/721165847.db2.gz IDYRALTXHANCFL-WBVHZDCISA-N 1 3 353.474 0.814 20 0 FCADHO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4CNC5)C3)O2)CC1 ZINC001164889753 721398979 /nfs/dbraw/zinc/39/89/79/721398979.db2.gz MEBMAWRTCCNQLB-OXJNMPFZSA-N 1 3 372.517 0.845 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187768 836066490 /nfs/dbraw/zinc/06/64/90/836066490.db2.gz YPPKBXRXFMZENY-NVXWUHKLSA-N 1 3 352.504 0.637 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440970 844186632 /nfs/dbraw/zinc/18/66/32/844186632.db2.gz DSPOALPTHCEZLZ-FCEWJHQRSA-N 1 3 352.523 0.975 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440970 844186636 /nfs/dbraw/zinc/18/66/36/844186636.db2.gz DSPOALPTHCEZLZ-FCEWJHQRSA-N 1 3 352.523 0.975 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101440848 844186881 /nfs/dbraw/zinc/18/68/81/844186881.db2.gz XLELQRHQWHVJSN-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001101440848 844186885 /nfs/dbraw/zinc/18/68/85/844186885.db2.gz XLELQRHQWHVJSN-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974770 844357069 /nfs/dbraw/zinc/35/70/69/844357069.db2.gz PHRIVUKSMYFTQP-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045016 844394319 /nfs/dbraw/zinc/39/43/19/844394319.db2.gz NWZKLASYWNBWBU-QLFBSQMISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045016 844394327 /nfs/dbraw/zinc/39/43/27/844394327.db2.gz NWZKLASYWNBWBU-QLFBSQMISA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001077923750 839234155 /nfs/dbraw/zinc/23/41/55/839234155.db2.gz BIXZQOFKGXMMKF-KZNAEPCWSA-N 1 3 353.507 0.837 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102189161 844438931 /nfs/dbraw/zinc/43/89/31/844438931.db2.gz YZUBETJMIJAYMG-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@H](C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21)N(C)C ZINC001079248411 839499452 /nfs/dbraw/zinc/49/94/52/839499452.db2.gz XTEZZIGLMZGTPX-GVDBMIGSSA-N 1 3 353.507 0.648 20 0 FCADHO C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290744 844460112 /nfs/dbraw/zinc/46/01/12/844460112.db2.gz TZKCNYUMPYKMCS-RBSFLKMASA-N 1 3 350.507 0.679 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370105 844477655 /nfs/dbraw/zinc/47/76/55/844477655.db2.gz REKIWFVPYKUQNH-ARFHVFGLSA-N 1 3 351.495 0.038 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001102370105 844477658 /nfs/dbraw/zinc/47/76/58/844477658.db2.gz REKIWFVPYKUQNH-ARFHVFGLSA-N 1 3 351.495 0.038 20 0 FCADHO CO[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095874 840182744 /nfs/dbraw/zinc/18/27/44/840182744.db2.gz MVRNUAZRCBQBJW-CGTJXYLNSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082557658 840465051 /nfs/dbraw/zinc/46/50/51/840465051.db2.gz WSDAIDZVJMMWRJ-RBSFLKMASA-N 1 3 357.520 0.342 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082561867 840466002 /nfs/dbraw/zinc/46/60/02/840466002.db2.gz XDMJXJMWGMCVOL-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCCC3)C2)C1 ZINC001082741743 840542575 /nfs/dbraw/zinc/54/25/75/840542575.db2.gz AHHUIVZCZCEIKJ-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082743881 840544209 /nfs/dbraw/zinc/54/42/09/840544209.db2.gz HHGRXNFSCBWMDJ-OWCLPIDISA-N 1 3 371.547 0.590 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102525759 844552898 /nfs/dbraw/zinc/55/28/98/844552898.db2.gz TWISDJDMFZRPTB-BRWVUGGUSA-N 1 3 351.495 0.270 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102525759 844552904 /nfs/dbraw/zinc/55/29/04/844552904.db2.gz TWISDJDMFZRPTB-BRWVUGGUSA-N 1 3 351.495 0.270 20 0 FCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083470094 841042763 /nfs/dbraw/zinc/04/27/63/841042763.db2.gz YTFNBBPPFHGVFX-BDXSIMOUSA-N 1 3 353.507 0.551 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083475065 841050604 /nfs/dbraw/zinc/05/06/04/841050604.db2.gz PRHHVTTZYFDLQW-MLHJIOFPSA-N 1 3 353.507 0.695 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083475065 841050613 /nfs/dbraw/zinc/05/06/13/841050613.db2.gz PRHHVTTZYFDLQW-MLHJIOFPSA-N 1 3 353.507 0.695 20 0 FCADHO CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001275878239 861241365 /nfs/dbraw/zinc/24/13/65/861241365.db2.gz JIYVUTXYRFEXEX-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001275878239 861241373 /nfs/dbraw/zinc/24/13/73/861241373.db2.gz JIYVUTXYRFEXEX-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001087088115 842280751 /nfs/dbraw/zinc/28/07/51/842280751.db2.gz KJLPFRTXXJPINJ-HYVNUMGLSA-N 1 3 350.463 0.974 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnc(C)o1 ZINC001087101179 842290094 /nfs/dbraw/zinc/29/00/94/842290094.db2.gz XJZUNGVENAIPGJ-BFYDXBDKSA-N 1 3 350.463 0.888 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnc(C)o1 ZINC001087101179 842290105 /nfs/dbraw/zinc/29/01/05/842290105.db2.gz XJZUNGVENAIPGJ-BFYDXBDKSA-N 1 3 350.463 0.888 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnc(C)o1 ZINC001087101180 842291013 /nfs/dbraw/zinc/29/10/13/842291013.db2.gz XJZUNGVENAIPGJ-ZMSDIMECSA-N 1 3 350.463 0.888 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnc(C)o1 ZINC001087101180 842291022 /nfs/dbraw/zinc/29/10/22/842291022.db2.gz XJZUNGVENAIPGJ-ZMSDIMECSA-N 1 3 350.463 0.888 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087175575 842307988 /nfs/dbraw/zinc/30/79/88/842307988.db2.gz VFNDZSKTGFERAW-PVAVHDDUSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087213067 842318737 /nfs/dbraw/zinc/31/87/37/842318737.db2.gz CTGUNJLASZOMBX-PMPSAXMXSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCCO ZINC001087601295 842372807 /nfs/dbraw/zinc/37/28/07/842372807.db2.gz KMWBCRMGZNQJMC-RCCFBDPRSA-N 1 3 353.507 0.981 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@H+]1CCCO ZINC001087601295 842372814 /nfs/dbraw/zinc/37/28/14/842372814.db2.gz KMWBCRMGZNQJMC-RCCFBDPRSA-N 1 3 353.507 0.981 20 0 FCADHO CC(C)[C@H](C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1)N(C)C ZINC001276048669 861303207 /nfs/dbraw/zinc/30/32/07/861303207.db2.gz GJPYSLBVPYQPGC-HZPDHXFCSA-N 1 3 350.507 0.632 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087796827 842433317 /nfs/dbraw/zinc/43/33/17/842433317.db2.gz NUKLMOLQILZNGQ-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087796827 842433323 /nfs/dbraw/zinc/43/33/23/842433323.db2.gz NUKLMOLQILZNGQ-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910169 843122003 /nfs/dbraw/zinc/12/20/03/843122003.db2.gz KPXRIJZLAUYFLG-CLCXKQKWSA-N 1 3 350.507 0.905 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092772724 843296661 /nfs/dbraw/zinc/29/66/61/843296661.db2.gz BPAFVUKFRXGVOS-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093825626 843475261 /nfs/dbraw/zinc/47/52/61/843475261.db2.gz MXNVLPOSBYQWEO-BZUAXINKSA-N 1 3 371.547 0.590 20 0 FCADHO COCC[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276358071 861429589 /nfs/dbraw/zinc/42/95/89/861429589.db2.gz XXIZHOFVQMVLJR-UHFFFAOYSA-N 1 3 352.523 0.585 20 0 FCADHO O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001099162644 843967200 /nfs/dbraw/zinc/96/72/00/843967200.db2.gz OBYWCELNMNMULM-BQFCYCMXSA-N 1 3 369.531 0.488 20 0 FCADHO O=C(CN1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001099162644 843967201 /nfs/dbraw/zinc/96/72/01/843967201.db2.gz OBYWCELNMNMULM-BQFCYCMXSA-N 1 3 369.531 0.488 20 0 FCADHO O=C(CN1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001099162644 843967202 /nfs/dbraw/zinc/96/72/02/843967202.db2.gz OBYWCELNMNMULM-BQFCYCMXSA-N 1 3 369.531 0.488 20 0 FCADHO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087882 844698927 /nfs/dbraw/zinc/69/89/27/844698927.db2.gz OGRQPIWHHMOULM-KYJSFNMBSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087882 844698933 /nfs/dbraw/zinc/69/89/33/844698933.db2.gz OGRQPIWHHMOULM-KYJSFNMBSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001103111653 844703386 /nfs/dbraw/zinc/70/33/86/844703386.db2.gz GMBZKGQULZVMED-ZACQAIPSSA-N 1 3 350.511 0.939 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001103111653 844703389 /nfs/dbraw/zinc/70/33/89/844703389.db2.gz GMBZKGQULZVMED-ZACQAIPSSA-N 1 3 350.511 0.939 20 0 FCADHO COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250058 844727290 /nfs/dbraw/zinc/72/72/90/844727290.db2.gz ZRBFVDCNMMXVCT-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250058 844727297 /nfs/dbraw/zinc/72/72/97/844727297.db2.gz ZRBFVDCNMMXVCT-LDBBTLTOSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001103249860 844727623 /nfs/dbraw/zinc/72/76/23/844727623.db2.gz VAJJXUQULCYACI-QCZOYZIOSA-N 1 3 351.491 0.306 20 0 FCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001103249860 844727626 /nfs/dbraw/zinc/72/76/26/844727626.db2.gz VAJJXUQULCYACI-QCZOYZIOSA-N 1 3 351.491 0.306 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395726 844750682 /nfs/dbraw/zinc/75/06/82/844750682.db2.gz ITSVBLCLJODKFQ-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436252 844757136 /nfs/dbraw/zinc/75/71/36/844757136.db2.gz QHPFOGVGCUUUKQ-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)C1 ZINC001103436252 844757142 /nfs/dbraw/zinc/75/71/42/844757142.db2.gz QHPFOGVGCUUUKQ-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550568 844779212 /nfs/dbraw/zinc/77/92/12/844779212.db2.gz XDHUXSWXFCHVDD-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550568 844779219 /nfs/dbraw/zinc/77/92/19/844779219.db2.gz XDHUXSWXFCHVDD-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103642163 844793780 /nfs/dbraw/zinc/79/37/80/844793780.db2.gz SLMQOMSZUGSQJT-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103642163 844793782 /nfs/dbraw/zinc/79/37/82/844793782.db2.gz SLMQOMSZUGSQJT-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647170 844794683 /nfs/dbraw/zinc/79/46/83/844794683.db2.gz XJSXFZPDQNDVST-HZPDHXFCSA-N 1 3 350.507 0.681 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755698 844816837 /nfs/dbraw/zinc/81/68/37/844816837.db2.gz NVOUCELFFWANGM-JFIYKMOQSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001104322451 844894364 /nfs/dbraw/zinc/89/43/64/844894364.db2.gz KNOAVFFLYMBNKP-INMHGKMJSA-N 1 3 350.511 0.976 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104676348 844931643 /nfs/dbraw/zinc/93/16/43/844931643.db2.gz GJENVWUENHRWPI-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104678726 844932239 /nfs/dbraw/zinc/93/22/39/844932239.db2.gz ASPVHLLNLLOQRS-GVDBMIGSSA-N 1 3 352.523 0.929 20 0 FCADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683929 844932878 /nfs/dbraw/zinc/93/28/78/844932878.db2.gz VLHJNSYYWUJGHY-ZACQAIPSSA-N 1 3 355.523 0.800 20 0 FCADHO CCS(=O)(=O)CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732291 844936397 /nfs/dbraw/zinc/93/63/97/844936397.db2.gz RUDAOZDXTGZACX-HUUCEWRRSA-N 1 3 370.519 0.851 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CCOCCO ZINC001104832732 844948959 /nfs/dbraw/zinc/94/89/59/844948959.db2.gz QRTALGWFTIQSFK-QZTJIDSGSA-N 1 3 355.523 0.801 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CCNCc1cnns1 ZINC001104907958 844958733 /nfs/dbraw/zinc/95/87/33/844958733.db2.gz BTTPAHUHJNULMA-ZIAGYGMSSA-N 1 3 355.508 0.691 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104938576 844961680 /nfs/dbraw/zinc/96/16/80/844961680.db2.gz VWNPKXMRBXYOOA-HZPDHXFCSA-N 1 3 361.552 0.837 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104937492 844961902 /nfs/dbraw/zinc/96/19/02/844961902.db2.gz AUQQFFAFIFMXBK-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655352 845010203 /nfs/dbraw/zinc/01/02/03/845010203.db2.gz HRRQVAGGESPVMW-AHCXZYCDSA-N 1 3 350.463 0.565 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106244484 845141764 /nfs/dbraw/zinc/14/17/64/845141764.db2.gz MDFPPAVKQOMWJV-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106249531 845142968 /nfs/dbraw/zinc/14/29/68/845142968.db2.gz JRDKMHIBJYEPNB-MZMPZRCHSA-N 1 3 350.507 0.537 20 0 FCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(=O)N(C)C ZINC001106668480 845219750 /nfs/dbraw/zinc/21/97/50/845219750.db2.gz MIEDRTCJGVEPHL-OWCLPIDISA-N 1 3 352.523 0.879 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001106779655 845251366 /nfs/dbraw/zinc/25/13/66/845251366.db2.gz UGUVKQKMYQNSAW-CHWSQXEVSA-N 1 3 366.428 0.691 20 0 FCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797309 845255143 /nfs/dbraw/zinc/25/51/43/845255143.db2.gz NFCMZFRDLDGMNK-IAGOWNOFSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106797289 845255916 /nfs/dbraw/zinc/25/59/16/845255916.db2.gz MMMHVCJBLWCTSH-IAGOWNOFSA-N 1 3 350.507 0.635 20 0 FCADHO CCn1ccc(CNC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001106880846 845277389 /nfs/dbraw/zinc/27/73/89/845277389.db2.gz OTAWCOZFQYWTRU-HZPDHXFCSA-N 1 3 351.495 0.665 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106908167 845284035 /nfs/dbraw/zinc/28/40/35/845284035.db2.gz TVFHBVCPEXPDPC-BFYDXBDKSA-N 1 3 352.523 0.927 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001107036652 845315741 /nfs/dbraw/zinc/31/57/41/845315741.db2.gz OLAOMHWUGRQJQM-OAGGEKHMSA-N 1 3 359.536 0.590 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001107036677 845315926 /nfs/dbraw/zinc/31/59/26/845315926.db2.gz PCRMUFANWZNQRT-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042662 845318640 /nfs/dbraw/zinc/31/86/40/845318640.db2.gz XBGRHOVUDZYWBR-ZACQAIPSSA-N 1 3 359.511 0.035 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCOCCO)CC3)C1 ZINC001107546677 845396475 /nfs/dbraw/zinc/39/64/75/845396475.db2.gz LHRNIBIDCXTJEO-ZHALLVOQSA-N 1 3 353.507 0.698 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCCO)CC3)C1 ZINC001107546677 845396487 /nfs/dbraw/zinc/39/64/87/845396487.db2.gz LHRNIBIDCXTJEO-ZHALLVOQSA-N 1 3 353.507 0.698 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565150 845689613 /nfs/dbraw/zinc/68/96/13/845689613.db2.gz BUABRVIPABASQL-QZWWFDLISA-N 1 3 353.507 0.980 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654094 845705857 /nfs/dbraw/zinc/70/58/57/845705857.db2.gz VTALXPKQWQWTBX-NCOADZHNSA-N 1 3 357.495 0.074 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494347 846127180 /nfs/dbraw/zinc/12/71/80/846127180.db2.gz KXUQBJKOZRLHNN-XDNAFOTISA-N 1 3 353.507 0.981 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111952571 846273955 /nfs/dbraw/zinc/27/39/55/846273955.db2.gz ONKBOLOVOONVJY-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001111952571 846273962 /nfs/dbraw/zinc/27/39/62/846273962.db2.gz ONKBOLOVOONVJY-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001112166995 846431082 /nfs/dbraw/zinc/43/10/82/846431082.db2.gz CGAHMZMXMQGVHH-LOWDOPEQSA-N 1 3 355.401 0.313 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112189904 846448707 /nfs/dbraw/zinc/44/87/07/846448707.db2.gz BQCKPDKHGREPPT-JHJVBQTASA-N 1 3 355.401 0.314 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112189904 846448716 /nfs/dbraw/zinc/44/87/16/846448716.db2.gz BQCKPDKHGREPPT-JHJVBQTASA-N 1 3 355.401 0.314 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401612 846501389 /nfs/dbraw/zinc/50/13/89/846501389.db2.gz OECKPFFVPGNRBW-KXBFYZLASA-N 1 3 350.507 0.825 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001112425574 846502794 /nfs/dbraw/zinc/50/27/94/846502794.db2.gz RTTCWKWZPPMXMS-GMBSWORKSA-N 1 3 350.507 0.824 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524264 846514401 /nfs/dbraw/zinc/51/44/01/846514401.db2.gz DQMJCZYVXDNLHX-WDYCEAGBSA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112548524 846521598 /nfs/dbraw/zinc/52/15/98/846521598.db2.gz DSHUNMMWDSOHBP-KXBFYZLASA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958793 861703184 /nfs/dbraw/zinc/70/31/84/861703184.db2.gz APYUCGOELTTXLQ-HKUYNNGSSA-N 1 3 352.523 0.462 20 0 FCADHO C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958793 861703188 /nfs/dbraw/zinc/70/31/88/861703188.db2.gz APYUCGOELTTXLQ-HKUYNNGSSA-N 1 3 352.523 0.462 20 0 FCADHO C[C@@H](O)CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)CO ZINC001116719671 846745814 /nfs/dbraw/zinc/74/58/14/846745814.db2.gz NPMCXQMISHTTGF-LSDHHAIUSA-N 1 3 356.511 0.318 20 0 FCADHO C[NH+](C)CCCOc1cnccc1CNCC1(O)CCS(=O)(=O)CC1 ZINC001118156132 847300962 /nfs/dbraw/zinc/30/09/62/847300962.db2.gz RODHKXIYAGZMSF-UHFFFAOYSA-N 1 3 371.503 0.441 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](CC(N)=O)C3)CC2)CC1 ZINC001118377862 847404379 /nfs/dbraw/zinc/40/43/79/847404379.db2.gz FZTWMYUODLSPGV-HNNXBMFYSA-N 1 3 350.507 0.907 20 0 FCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001119310321 847808355 /nfs/dbraw/zinc/80/83/55/847808355.db2.gz YKWXOELVGGPDOU-RHSMWYFYSA-N 1 3 352.479 0.086 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001127689933 848733051 /nfs/dbraw/zinc/73/30/51/848733051.db2.gz CMGXTZHGQBWAKO-CZUORRHYSA-N 1 3 350.438 0.488 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001127689933 848733059 /nfs/dbraw/zinc/73/30/59/848733059.db2.gz CMGXTZHGQBWAKO-CZUORRHYSA-N 1 3 350.438 0.488 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1 ZINC001130047735 848936129 /nfs/dbraw/zinc/93/61/29/848936129.db2.gz PWWDYMMFLAMAKP-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCOCC)[C@@H](n2ccnn2)C1 ZINC001130107165 848945808 /nfs/dbraw/zinc/94/58/08/848945808.db2.gz GTZURJHAALXWAP-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130137122 848949933 /nfs/dbraw/zinc/94/99/33/848949933.db2.gz KCBBUEUOIZHRRZ-PMPSAXMXSA-N 1 3 350.467 0.140 20 0 FCADHO CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1)OC ZINC001130137064 848950055 /nfs/dbraw/zinc/95/00/55/848950055.db2.gz HJRFQHHGISSGHU-XHSDSOJGSA-N 1 3 352.483 0.385 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCOC)C1 ZINC001130695258 849027362 /nfs/dbraw/zinc/02/73/62/849027362.db2.gz KGEOFSIGWAHHSR-DOTOQJQBSA-N 1 3 351.495 0.682 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001131091239 849078432 /nfs/dbraw/zinc/07/84/32/849078432.db2.gz BIEDEPKTKZBAQD-ARFHVFGLSA-N 1 3 351.495 0.681 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131132374 849083022 /nfs/dbraw/zinc/08/30/22/849083022.db2.gz HKBZUXJSOFZXDY-HZPDHXFCSA-N 1 3 351.495 0.681 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131573299 849125641 /nfs/dbraw/zinc/12/56/41/849125641.db2.gz WBCRSAOLSKVGJE-XCRHUMRWSA-N 1 3 350.463 0.973 20 0 FCADHO C[NH+](C)CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001131596925 849128689 /nfs/dbraw/zinc/12/86/89/849128689.db2.gz BEBZHCCXTJCSNI-QAPCUYQASA-N 1 3 354.495 0.189 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716150 849988308 /nfs/dbraw/zinc/98/83/08/849988308.db2.gz LKRHKEMBHCBBKU-CVEARBPZSA-N 1 3 352.504 0.531 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834934 850139239 /nfs/dbraw/zinc/13/92/39/850139239.db2.gz WUHBQMZEWMRRGS-MELADBBJSA-N 1 3 369.560 0.585 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160477917 850175358 /nfs/dbraw/zinc/17/53/58/850175358.db2.gz HQWSGMDQMNNICU-MRVPVSSYSA-N 1 3 352.386 0.272 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2c(Br)cnc2C1 ZINC001160546245 850180668 /nfs/dbraw/zinc/18/06/68/850180668.db2.gz XAHYRCYBVFUQTH-NSHDSACASA-N 1 3 368.279 0.862 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2c(Br)cnc2C1 ZINC001160546245 850180671 /nfs/dbraw/zinc/18/06/71/850180671.db2.gz XAHYRCYBVFUQTH-NSHDSACASA-N 1 3 368.279 0.862 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705396 850193935 /nfs/dbraw/zinc/19/39/35/850193935.db2.gz XJFABOHRWQUSOJ-QMHWVQJVSA-N 1 3 370.563 0.618 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705396 850193940 /nfs/dbraw/zinc/19/39/40/850193940.db2.gz XJFABOHRWQUSOJ-QMHWVQJVSA-N 1 3 370.563 0.618 20 0 FCADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1c1ccc(F)cc1 ZINC001161084975 850227927 /nfs/dbraw/zinc/22/79/27/850227927.db2.gz LORARVADVHXJNN-PMPSAXMXSA-N 1 3 351.422 0.997 20 0 FCADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813653 862116102 /nfs/dbraw/zinc/11/61/02/862116102.db2.gz QZFTUNRONOZSLF-GOSISDBHSA-N 1 3 353.507 0.794 20 0 FCADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813653 862116109 /nfs/dbraw/zinc/11/61/09/862116109.db2.gz QZFTUNRONOZSLF-GOSISDBHSA-N 1 3 353.507 0.794 20 0 FCADHO CC1(Nc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)CC[NH2+]CC1 ZINC001168184383 850574510 /nfs/dbraw/zinc/57/45/10/850574510.db2.gz YTIQMFDEXUQGNP-UHFFFAOYSA-N 1 3 353.492 0.717 20 0 FCADHO CCN1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001169254414 850609852 /nfs/dbraw/zinc/60/98/52/850609852.db2.gz VJFQHCLTQZGNCR-UHFFFAOYSA-N 1 3 355.508 0.275 20 0 FCADHO Cc1nc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc(N2CCOCC2)n1 ZINC001170271037 850648981 /nfs/dbraw/zinc/64/89/81/850648981.db2.gz SANDYEWHWJVJRO-CPUCHLNUSA-N 1 3 351.451 0.758 20 0 FCADHO CCOCC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001172424633 850710546 /nfs/dbraw/zinc/71/05/46/850710546.db2.gz FQQAMQOHJQVJQB-KRWDZBQOSA-N 1 3 354.539 0.972 20 0 FCADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CCN(C(C)C)CC2)C[C@@H]1C(=O)OC ZINC001173567872 850728192 /nfs/dbraw/zinc/72/81/92/850728192.db2.gz LDEVAQHPPNFAFD-PHZGNYQRSA-N 1 3 355.479 0.343 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178735858 850922089 /nfs/dbraw/zinc/92/20/89/850922089.db2.gz GLLDAZJZQRFJBP-QSPRXWTASA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178735858 850922093 /nfs/dbraw/zinc/92/20/93/850922093.db2.gz GLLDAZJZQRFJBP-QSPRXWTASA-N 1 3 350.507 0.822 20 0 FCADHO COCCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C1CCN(C)CC1 ZINC001180609771 851053021 /nfs/dbraw/zinc/05/30/21/851053021.db2.gz XWSJMFDZQZZMNN-UHFFFAOYSA-N 1 3 354.495 0.143 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccs3)C2)CC[N@@H+]1C ZINC001182684002 851191632 /nfs/dbraw/zinc/19/16/32/851191632.db2.gz IUJNJLQDLCTPQG-IIAWOOMASA-N 1 3 364.515 0.895 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccs3)C2)CC[N@H+]1C ZINC001182684002 851191640 /nfs/dbraw/zinc/19/16/40/851191640.db2.gz IUJNJLQDLCTPQG-IIAWOOMASA-N 1 3 364.515 0.895 20 0 FCADHO CCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001278430964 862326208 /nfs/dbraw/zinc/32/62/08/862326208.db2.gz PXFFOESQUCZNOL-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CC1 ZINC001195677573 852811816 /nfs/dbraw/zinc/81/18/16/852811816.db2.gz STUXVEBMCHSTBA-IAGOWNOFSA-N 1 3 353.507 0.696 20 0 FCADHO CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199017734 853355273 /nfs/dbraw/zinc/35/52/73/853355273.db2.gz LHTCZAFZNASGEM-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001199057268 853361504 /nfs/dbraw/zinc/36/15/04/853361504.db2.gz FUNKJSLFLUDCRK-RCCFBDPRSA-N 1 3 353.507 0.840 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205519463 853620324 /nfs/dbraw/zinc/62/03/24/853620324.db2.gz OOBQSVLDXDWTCL-YESZJQIVSA-N 1 3 353.507 0.647 20 0 FCADHO Cc1noc(C)c1CN1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001207135041 853789550 /nfs/dbraw/zinc/78/95/50/853789550.db2.gz UOLVPEHRGIZBIN-NVXWUHKLSA-N 1 3 350.463 0.902 20 0 FCADHO Cc1noc(C)c1CN1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001207135041 853789555 /nfs/dbraw/zinc/78/95/55/853789555.db2.gz UOLVPEHRGIZBIN-NVXWUHKLSA-N 1 3 350.463 0.902 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@H]1C ZINC001207758010 853855386 /nfs/dbraw/zinc/85/53/86/853855386.db2.gz ROSVDNHGXDMDEV-BZUAXINKSA-N 1 3 359.511 0.177 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@H]1C ZINC001207758010 853855397 /nfs/dbraw/zinc/85/53/97/853855397.db2.gz ROSVDNHGXDMDEV-BZUAXINKSA-N 1 3 359.511 0.177 20 0 FCADHO COC(C)(C)CC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001209402642 854023894 /nfs/dbraw/zinc/02/38/94/854023894.db2.gz HQNQSGSKQCSYSH-UHFFFAOYSA-N 1 3 354.539 0.972 20 0 FCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836674 854058138 /nfs/dbraw/zinc/05/81/38/854058138.db2.gz OZDZQIJGSDYNOT-NVXWUHKLSA-N 1 3 357.495 0.197 20 0 FCADHO C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297382 854097762 /nfs/dbraw/zinc/09/77/62/854097762.db2.gz FBMHEZANQKJQJX-BRWVUGGUSA-N 1 3 357.495 0.197 20 0 FCADHO C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297384 854097788 /nfs/dbraw/zinc/09/77/88/854097788.db2.gz FBMHEZANQKJQJX-IXDOHACOSA-N 1 3 357.495 0.197 20 0 FCADHO COCCCN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704923 854727170 /nfs/dbraw/zinc/72/71/70/854727170.db2.gz WJTUUCPWRZYBDW-QZTJIDSGSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001214662142 854988403 /nfs/dbraw/zinc/98/84/03/854988403.db2.gz VXJBVLPNKYCIBK-FDYHWXHSSA-N 1 3 364.412 0.442 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001214662142 854988405 /nfs/dbraw/zinc/98/84/05/854988405.db2.gz VXJBVLPNKYCIBK-FDYHWXHSSA-N 1 3 364.412 0.442 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845491 855021959 /nfs/dbraw/zinc/02/19/59/855021959.db2.gz WKKDROJAASEZON-IXDOHACOSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845491 855021965 /nfs/dbraw/zinc/02/19/65/855021965.db2.gz WKKDROJAASEZON-IXDOHACOSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H](C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214847787 855022093 /nfs/dbraw/zinc/02/20/93/855022093.db2.gz SJOQGWQHGICGOL-RBSFLKMASA-N 1 3 359.536 0.588 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001214855521 855022889 /nfs/dbraw/zinc/02/28/89/855022889.db2.gz FCVIYYJMLLGRAW-DJIMGWMZSA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001214855521 855022896 /nfs/dbraw/zinc/02/28/96/855022896.db2.gz FCVIYYJMLLGRAW-DJIMGWMZSA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214947803 855038544 /nfs/dbraw/zinc/03/85/44/855038544.db2.gz FFAPHHLDVCMISV-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184752 855079004 /nfs/dbraw/zinc/07/90/04/855079004.db2.gz RSOGJDRBVSSHSH-QCZOYZIOSA-N 1 3 351.491 0.711 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001215225956 855084691 /nfs/dbraw/zinc/08/46/91/855084691.db2.gz AIMFOQDNERGGCG-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474105 855119519 /nfs/dbraw/zinc/11/95/19/855119519.db2.gz LEFBSAGYOBPPTA-DJIMGWMZSA-N 1 3 356.511 0.162 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215536117 855126300 /nfs/dbraw/zinc/12/63/00/855126300.db2.gz JAPVEDTXZZPANY-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C)C1CC1 ZINC001215539918 855126380 /nfs/dbraw/zinc/12/63/80/855126380.db2.gz COCRPUUGUKJPSO-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001215998944 855163800 /nfs/dbraw/zinc/16/38/00/855163800.db2.gz IXYWTZAOTHFUPI-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001215998962 855164032 /nfs/dbraw/zinc/16/40/32/855164032.db2.gz JPSUXRODUOPWNS-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216002312 855164244 /nfs/dbraw/zinc/16/42/44/855164244.db2.gz RCVQMLIYCMKYSO-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001216217241 855180356 /nfs/dbraw/zinc/18/03/56/855180356.db2.gz MHBWELLWVIFUEB-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001216217241 855180359 /nfs/dbraw/zinc/18/03/59/855180359.db2.gz MHBWELLWVIFUEB-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001216503337 855208092 /nfs/dbraw/zinc/20/80/92/855208092.db2.gz PPTMGJLFNJEBOU-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001216511226 855209788 /nfs/dbraw/zinc/20/97/88/855209788.db2.gz NHKJEWLKKANZPY-HZSPNIEDSA-N 1 3 369.428 0.705 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1cccs1 ZINC001216752555 855231821 /nfs/dbraw/zinc/23/18/21/855231821.db2.gz TXOFXCIELDFCGJ-IIAWOOMASA-N 1 3 364.515 0.753 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1cccs1 ZINC001216752555 855231829 /nfs/dbraw/zinc/23/18/29/855231829.db2.gz TXOFXCIELDFCGJ-IIAWOOMASA-N 1 3 364.515 0.753 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216835997 855253505 /nfs/dbraw/zinc/25/35/05/855253505.db2.gz RKMHJUKKQBCEMU-BFYDXBDKSA-N 1 3 350.507 0.966 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218183804 855405225 /nfs/dbraw/zinc/40/52/25/855405225.db2.gz DMVSHZZZFORUBB-JGPRNRPPSA-N 1 3 350.419 0.423 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]CCC1(F)F ZINC001218446385 855426930 /nfs/dbraw/zinc/42/69/30/855426930.db2.gz ACLQRZLHTWINEO-QMMMGPOBSA-N 1 3 360.361 0.137 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H]3CN(CC[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001218550883 855438822 /nfs/dbraw/zinc/43/88/22/855438822.db2.gz RUWYTIAXPKIXIW-IXDOHACOSA-N 1 3 351.491 0.666 20 0 FCADHO Nc1ncc(Cl)nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218652784 855458474 /nfs/dbraw/zinc/45/84/74/855458474.db2.gz PXZRWVLZFRUUID-UWVGGRQHSA-N 1 3 369.857 0.098 20 0 FCADHO N[C@@H](C(=O)Nc1ccc(Br)c2c1C(=O)NC2)C1CC[NH2+]CC1 ZINC001219446897 855674152 /nfs/dbraw/zinc/67/41/52/855674152.db2.gz ZNZVJHONBWUVFK-CYBMUJFWSA-N 1 3 367.247 0.958 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743772 855795038 /nfs/dbraw/zinc/79/50/38/855795038.db2.gz LRQUMHAMCDEIAL-KGLIPLIRSA-N 1 3 355.479 0.724 20 0 FCADHO N[C@@H](CC(=O)OC1CCCCC1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809703 855826981 /nfs/dbraw/zinc/82/69/81/855826981.db2.gz QZOQDPXLLMQKHV-ZDUSSCGKSA-N 1 3 350.419 0.530 20 0 FCADHO Cc1nn(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C)c1Br ZINC001219997305 855911336 /nfs/dbraw/zinc/91/13/36/855911336.db2.gz RKEVPBYCTFJYOL-NSHDSACASA-N 1 3 356.268 0.188 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC(=N)SCC[NH3+] ZINC001220106142 855963714 /nfs/dbraw/zinc/96/37/14/855963714.db2.gz CCRGWVNZWAXKLQ-DCAQKATOSA-N 1 3 363.553 0.341 20 0 FCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)O1 ZINC001220481554 856147789 /nfs/dbraw/zinc/14/77/89/856147789.db2.gz KIEOKPAFEKGUCO-JXFSHQFZSA-N 1 3 359.467 0.277 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)COC1(C)C ZINC001220716471 856259912 /nfs/dbraw/zinc/25/99/12/856259912.db2.gz IOAUNZQKVRTXHP-LXFSFDBISA-N 1 3 352.479 0.429 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)COC1(C)C ZINC001220716471 856259920 /nfs/dbraw/zinc/25/99/20/856259920.db2.gz IOAUNZQKVRTXHP-LXFSFDBISA-N 1 3 352.479 0.429 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@H]2CCCC2(F)F)C[C@@H]1O ZINC001220768561 856289162 /nfs/dbraw/zinc/28/91/62/856289162.db2.gz RDGHIMDXSQJNIL-KFWWJZLASA-N 1 3 363.449 0.551 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCCC2(F)F)C[C@@H]1O ZINC001220768562 856290863 /nfs/dbraw/zinc/29/08/63/856290863.db2.gz RDGHIMDXSQJNIL-ZNMIVQPWSA-N 1 3 363.449 0.551 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220994611 856413622 /nfs/dbraw/zinc/41/36/22/856413622.db2.gz YWZXSJZEAKPDGO-KURKYZTESA-N 1 3 353.507 0.840 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)COC1(C)C ZINC001221250729 856528749 /nfs/dbraw/zinc/52/87/49/856528749.db2.gz WWZNHZCIRXELFC-XAYKYTGQSA-N 1 3 352.479 0.336 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367309 856555477 /nfs/dbraw/zinc/55/54/77/856555477.db2.gz PMZMMGPHOINMPD-VJTDZRGJSA-N 1 3 362.515 0.414 20 0 FCADHO CC(C)(C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1)[NH+]1CCCC1 ZINC001223247026 856905862 /nfs/dbraw/zinc/90/58/62/856905862.db2.gz ZMJVLDKTCUPOJN-SJORKVTESA-N 1 3 353.507 0.793 20 0 FCADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)N1CCCC1 ZINC001223247026 856905869 /nfs/dbraw/zinc/90/58/69/856905869.db2.gz ZMJVLDKTCUPOJN-SJORKVTESA-N 1 3 353.507 0.793 20 0 FCADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)N1CCCC1 ZINC001223247026 856905877 /nfs/dbraw/zinc/90/58/77/856905877.db2.gz ZMJVLDKTCUPOJN-SJORKVTESA-N 1 3 353.507 0.793 20 0 FCADHO CC(C)NC(=O)NCCN1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430999 856917183 /nfs/dbraw/zinc/91/71/83/856917183.db2.gz TXTYRNVZGJEWQY-CVEARBPZSA-N 1 3 353.511 0.569 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226891914 857130272 /nfs/dbraw/zinc/13/02/72/857130272.db2.gz WKBMOFWLEZXODQ-MGPQQGTHSA-N 1 3 353.467 0.073 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226891914 857130274 /nfs/dbraw/zinc/13/02/74/857130274.db2.gz WKBMOFWLEZXODQ-MGPQQGTHSA-N 1 3 353.467 0.073 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229232314 857259525 /nfs/dbraw/zinc/25/95/25/857259525.db2.gz ZUUADNKAXGPUAN-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284465 857322814 /nfs/dbraw/zinc/32/28/14/857322814.db2.gz GLHBEFKADAERHT-ZIAGYGMSSA-N 1 3 355.483 0.189 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@H]2CCCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279474377 862904032 /nfs/dbraw/zinc/90/40/32/862904032.db2.gz NCIPTWVWSBYYJI-IEBWSBKVSA-N 1 3 352.523 0.774 20 0 FCADHO [O-]c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1Br ZINC001235874564 857434436 /nfs/dbraw/zinc/43/44/36/857434436.db2.gz SIKMQHHGNPXNBN-UHFFFAOYSA-N 1 3 357.296 0.739 20 0 FCADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc([O-])c1Br ZINC001236310592 857439078 /nfs/dbraw/zinc/43/90/78/857439078.db2.gz IFGUJRBJRZQHCC-UHFFFAOYSA-N 1 3 373.295 0.771 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2c(c1)CCO2 ZINC001238243336 857464747 /nfs/dbraw/zinc/46/47/47/857464747.db2.gz TUUFGDQNRMGUBU-CQSZACIVSA-N 1 3 351.472 0.774 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2c(c1)CCO2 ZINC001238243336 857464754 /nfs/dbraw/zinc/46/47/54/857464754.db2.gz TUUFGDQNRMGUBU-CQSZACIVSA-N 1 3 351.472 0.774 20 0 FCADHO COc1cccc(CS(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238244287 857466346 /nfs/dbraw/zinc/46/63/46/857466346.db2.gz ZROVKUDNXZRVFW-OAHLLOKOSA-N 1 3 353.488 0.989 20 0 FCADHO COc1cccc(CS(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238244287 857466351 /nfs/dbraw/zinc/46/63/51/857466351.db2.gz ZROVKUDNXZRVFW-OAHLLOKOSA-N 1 3 353.488 0.989 20 0 FCADHO COC(=O)CCc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1 ZINC001238879837 857485561 /nfs/dbraw/zinc/48/55/61/857485561.db2.gz XFYHWOSYJSTSAD-UHFFFAOYSA-N 1 3 357.476 0.399 20 0 FCADHO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1Cl ZINC001238878604 857485688 /nfs/dbraw/zinc/48/56/88/857485688.db2.gz INWFPMGMYYPSBD-UHFFFAOYSA-N 1 3 362.883 0.905 20 0 FCADHO CCC(CC)[C@@H]([NH2+][C@H]1CCCN(C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246410486 857577628 /nfs/dbraw/zinc/57/76/28/857577628.db2.gz HLTFPKIUEBRCAF-DWMDIXPDSA-N 1 3 355.523 0.972 20 0 FCADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733746 857594847 /nfs/dbraw/zinc/59/48/47/857594847.db2.gz BIPSFARUDNUWQU-VXNCWWDNSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733746 857594857 /nfs/dbraw/zinc/59/48/57/857594857.db2.gz BIPSFARUDNUWQU-VXNCWWDNSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736219 857595695 /nfs/dbraw/zinc/59/56/95/857595695.db2.gz KFGVIRQORGSYNU-MTNOOBJLSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736219 857595703 /nfs/dbraw/zinc/59/57/03/857595703.db2.gz KFGVIRQORGSYNU-MTNOOBJLSA-N 1 3 351.491 0.714 20 0 FCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CN1 ZINC001247010943 857609633 /nfs/dbraw/zinc/60/96/33/857609633.db2.gz WWZHPJCDFUXBER-KKUMJFAQSA-N 1 3 353.463 0.145 20 0 FCADHO CCOC(=O)[C@H]1CN([C@@H]2CC[C@@H](C(=O)OCC)NC2)CCC12C[NH2+]C2 ZINC001247010942 857609899 /nfs/dbraw/zinc/60/98/99/857609899.db2.gz WWZHPJCDFUXBER-KFWWJZLASA-N 1 3 353.463 0.145 20 0 FCADHO COc1ccc(Br)c(-c2noc(C34CNCC3C[NH2+]C4)n2)n1 ZINC001247849409 857617710 /nfs/dbraw/zinc/61/77/10/857617710.db2.gz CWJRTXZLFNDWGQ-UHFFFAOYSA-N 1 3 366.219 0.963 20 0 FCADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)N1C(=O)CCC1=O ZINC001251552015 857730401 /nfs/dbraw/zinc/73/04/01/857730401.db2.gz ZHXMJSHXMCGHPR-CYBMUJFWSA-N 1 3 350.463 0.199 20 0 FCADHO COC(=O)[C@@H](O)CNC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001252436130 857806977 /nfs/dbraw/zinc/80/69/77/857806977.db2.gz NTDNAFFNVDLZDU-RDBSUJKOSA-N 1 3 357.451 0.051 20 0 FCADHO COC(=O)[C@@H](O)CNC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001252436130 857806982 /nfs/dbraw/zinc/80/69/82/857806982.db2.gz NTDNAFFNVDLZDU-RDBSUJKOSA-N 1 3 357.451 0.051 20 0 FCADHO CC(C)OC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252675873 857830998 /nfs/dbraw/zinc/83/09/98/857830998.db2.gz JMJHXDCCWFSOLU-KRWDZBQOSA-N 1 3 351.491 0.596 20 0 FCADHO CC(C)OC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252675873 857831005 /nfs/dbraw/zinc/83/10/05/857831005.db2.gz JMJHXDCCWFSOLU-KRWDZBQOSA-N 1 3 351.491 0.596 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001256204642 858057395 /nfs/dbraw/zinc/05/73/95/858057395.db2.gz JEQSRDURZMXOFY-UHFFFAOYSA-N 1 3 352.523 0.583 20 0 FCADHO CN1CCCC[C@H]1C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001271138742 859903722 /nfs/dbraw/zinc/90/37/22/859903722.db2.gz HBOPHHMNIFMGCB-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651465 859984745 /nfs/dbraw/zinc/98/47/45/859984745.db2.gz UIRFALRQMFVOAR-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651465 859984753 /nfs/dbraw/zinc/98/47/53/859984753.db2.gz UIRFALRQMFVOAR-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]1CCC[N@H+](C)C1 ZINC001271657640 859987391 /nfs/dbraw/zinc/98/73/91/859987391.db2.gz AYTVPOLOCAYRBX-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC001271657640 859987396 /nfs/dbraw/zinc/98/73/96/859987396.db2.gz AYTVPOLOCAYRBX-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831548 860275123 /nfs/dbraw/zinc/27/51/23/860275123.db2.gz NRLRYXSRMAOJIZ-APWZRJJASA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H]2CC1 ZINC001273121607 860382094 /nfs/dbraw/zinc/38/20/94/860382094.db2.gz SEGFDTZYLUZMEJ-CALCHBBNSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)CC[NH+]1CCCC1)CC2 ZINC001273120665 860382457 /nfs/dbraw/zinc/38/24/57/860382457.db2.gz JVDQXWYGNWXMQA-UHFFFAOYSA-N 1 3 350.507 0.875 20 0 FCADHO CN(C)CC[NH2+][C@@]12CC[C@@](NC(=O)C3(O)CCN(C)CC3)(C1)CCC2 ZINC001274204946 860706738 /nfs/dbraw/zinc/70/67/38/860706738.db2.gz ZJPLIYLBGNQNJT-ZWKOTPCHSA-N 1 3 352.523 0.556 20 0 FCADHO CCNC(=O)CN1C[C@@]2(CC[N@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275508498 861116949 /nfs/dbraw/zinc/11/69/49/861116949.db2.gz UZKXIFRTPIOCCR-SFHVURJKSA-N 1 3 354.495 0.014 20 0 FCADHO CCNC(=O)CN1C[C@@]2(CC[N@@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275508498 861116953 /nfs/dbraw/zinc/11/69/53/861116953.db2.gz UZKXIFRTPIOCCR-SFHVURJKSA-N 1 3 354.495 0.014 20 0 FCADHO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCCN(CC1CC[NH+](C)CC1)C2 ZINC001275556643 861128019 /nfs/dbraw/zinc/12/80/19/861128019.db2.gz NGUKEXAZVYGUCQ-BEFAXECRSA-N 1 3 351.491 0.857 20 0 FCADHO C[NH+]1CCC(CN2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)CC1 ZINC001280126566 863277972 /nfs/dbraw/zinc/27/79/72/863277972.db2.gz WIJAPXPITPLPGG-INIZCTEOSA-N 1 3 371.547 0.591 20 0 FCADHO CN(C)CCC[NH+]1CCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)CC1 ZINC001280225094 863347945 /nfs/dbraw/zinc/34/79/45/863347945.db2.gz QIUGHFOLQQGFPK-UHFFFAOYSA-N 1 3 355.508 0.458 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257156 863365355 /nfs/dbraw/zinc/36/53/55/863365355.db2.gz GJWYJCLEYBDPTQ-RANZSIQMSA-N 1 3 351.491 0.570 20 0 FCADHO C[N@H+]1CCC[C@H](CN2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257156 863365368 /nfs/dbraw/zinc/36/53/68/863365368.db2.gz GJWYJCLEYBDPTQ-RANZSIQMSA-N 1 3 351.491 0.570 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC001351364971 866841628 /nfs/dbraw/zinc/84/16/28/866841628.db2.gz VWKSXJKYZWDMAT-HUUCEWRRSA-N 1 3 350.467 0.508 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC001322519842 868841873 /nfs/dbraw/zinc/84/18/73/868841873.db2.gz HUBALMSRBLUZGF-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC001322519842 868841882 /nfs/dbraw/zinc/84/18/82/868841882.db2.gz HUBALMSRBLUZGF-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CCCCC1 ZINC001325861296 870065666 /nfs/dbraw/zinc/06/56/66/870065666.db2.gz DESGIISDXGTWGP-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCS(C)(=O)=O)CC2)CC1 ZINC001326202310 870208333 /nfs/dbraw/zinc/20/83/33/870208333.db2.gz WXGITEOUHVIJKB-UHFFFAOYSA-N 1 3 374.551 0.669 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC2(F)F)CC1 ZINC001327339677 870801639 /nfs/dbraw/zinc/80/16/39/870801639.db2.gz CMUVLWOIPJUYKJ-UHFFFAOYSA-N 1 3 360.449 0.586 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001345184274 871216898 /nfs/dbraw/zinc/21/68/98/871216898.db2.gz HEKKEXYZRQYSBH-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331670544 873189506 /nfs/dbraw/zinc/18/95/06/873189506.db2.gz XXAZGXGIPJEWAZ-FZNQNYSPSA-N 1 3 350.438 0.569 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001332517414 873540924 /nfs/dbraw/zinc/54/09/24/873540924.db2.gz QSTZTVBZZZAXNU-MSOLQXFVSA-N 1 3 352.523 0.759 20 0 FCADHO C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091720 951782296 /nfs/dbraw/zinc/78/22/96/951782296.db2.gz WUMIAEVGGZATSQ-LBPRGKRZSA-N 1 3 363.441 0.799 20 0 FCADHO OCCCN(CCO)Cc1cc(Cl)cc(C[N@H+](CCO)CCCO)c1 ZINC000297409890 214396704 /nfs/dbraw/zinc/39/67/04/214396704.db2.gz GHJJOMPXXAUVFT-UHFFFAOYSA-N 1 3 374.909 0.693 20 0 FCADHO OCCCN(CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)CCCO)c1 ZINC000297409890 214396707 /nfs/dbraw/zinc/39/67/07/214396707.db2.gz GHJJOMPXXAUVFT-UHFFFAOYSA-N 1 3 374.909 0.693 20 0 FCADHO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000291474039 214037248 /nfs/dbraw/zinc/03/72/48/214037248.db2.gz POMGRRJLHJZAPW-KZNAEPCWSA-N 1 3 366.531 0.883 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472845 529860959 /nfs/dbraw/zinc/86/09/59/529860959.db2.gz SFUJYQUVFUXRQF-IRXDYDNUSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472845 529860960 /nfs/dbraw/zinc/86/09/60/529860960.db2.gz SFUJYQUVFUXRQF-IRXDYDNUSA-N 1 3 350.507 0.729 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719231 530059513 /nfs/dbraw/zinc/05/95/13/530059513.db2.gz NPMHWBUTSIHGQI-YLJYHZDGSA-N 1 3 362.518 0.875 20 0 FCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399608 214990763 /nfs/dbraw/zinc/99/07/63/214990763.db2.gz SAUQSFJLGMIUEL-FQEVSTJZSA-N 1 3 366.550 0.852 20 0 FCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399608 214990768 /nfs/dbraw/zinc/99/07/68/214990768.db2.gz SAUQSFJLGMIUEL-FQEVSTJZSA-N 1 3 366.550 0.852 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1=CCN(C)CC1 ZINC000331536821 215012284 /nfs/dbraw/zinc/01/22/84/215012284.db2.gz DRBYDSYCHOJNHG-CRAIPNDOSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331566862 215015940 /nfs/dbraw/zinc/01/59/40/215015940.db2.gz LAGHIUMBAFRHFW-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000331566862 215015943 /nfs/dbraw/zinc/01/59/43/215015943.db2.gz LAGHIUMBAFRHFW-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331684052 215034331 /nfs/dbraw/zinc/03/43/31/215034331.db2.gz SAQXMOKBENBOOF-BYNSBNAKSA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331684052 215034334 /nfs/dbraw/zinc/03/43/34/215034334.db2.gz SAQXMOKBENBOOF-BYNSBNAKSA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000332156680 215103547 /nfs/dbraw/zinc/10/35/47/215103547.db2.gz ONTXAVCTFFVVQK-GJYPPUQNSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1=CC[N@@H+](C)CC1 ZINC000332885073 215216556 /nfs/dbraw/zinc/21/65/56/215216556.db2.gz QSJQLLSRMTWDNP-NVXWUHKLSA-N 1 3 363.506 0.585 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333508574 215291248 /nfs/dbraw/zinc/29/12/48/215291248.db2.gz FCVRZJLGJUWNEO-LJQANCHMSA-N 1 3 372.517 0.987 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCOC2(CNC2)C1 ZINC000333747772 215316804 /nfs/dbraw/zinc/31/68/04/215316804.db2.gz YPKNFDTTYDVHFB-WBVHZDCISA-N 1 3 362.449 0.903 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333809898 215321559 /nfs/dbraw/zinc/32/15/59/215321559.db2.gz JBJHETUIAYEXCA-OAHLLOKOSA-N 1 3 351.495 0.596 20 0 FCADHO C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1[NH+](C)C ZINC000334128386 215347873 /nfs/dbraw/zinc/34/78/73/215347873.db2.gz RHZYCDJRHKATRP-IRXDYDNUSA-N 1 3 367.538 0.375 20 0 FCADHO CN1CCC(NC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000284659188 213192621 /nfs/dbraw/zinc/19/26/21/213192621.db2.gz CPTSVLMRAJNUAK-UHFFFAOYSA-N 1 3 362.474 0.454 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284115782 213077847 /nfs/dbraw/zinc/07/78/47/213077847.db2.gz NNBPSBCWLJYWMP-UHFFFAOYSA-N 1 3 364.490 0.449 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284115782 213077851 /nfs/dbraw/zinc/07/78/51/213077851.db2.gz NNBPSBCWLJYWMP-UHFFFAOYSA-N 1 3 364.490 0.449 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000366595519 216002251 /nfs/dbraw/zinc/00/22/51/216002251.db2.gz GUDILJHSFNLXSD-RBSFLKMASA-N 1 3 353.429 0.884 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CN2CCN1CCC2 ZINC000368575579 216265864 /nfs/dbraw/zinc/26/58/64/216265864.db2.gz IWUYONXUNBYQQN-FGTMMUONSA-N 1 3 350.507 0.260 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368992166 216330106 /nfs/dbraw/zinc/33/01/06/216330106.db2.gz MDGITJPZOZXKGZ-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368992166 216330109 /nfs/dbraw/zinc/33/01/09/216330109.db2.gz MDGITJPZOZXKGZ-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000277537989 212371338 /nfs/dbraw/zinc/37/13/38/212371338.db2.gz LWQSYWYAUZSLLF-FGTMMUONSA-N 1 3 373.501 0.165 20 0 FCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000414908803 245330096 /nfs/dbraw/zinc/33/00/96/245330096.db2.gz DCNRQTNYRFXEHL-KRWDZBQOSA-N 1 3 350.488 0.898 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954528 245337367 /nfs/dbraw/zinc/33/73/67/245337367.db2.gz LIYQITMXISPMEB-MLGOLLRUSA-N 1 3 358.442 0.706 20 0 FCADHO Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000415324407 245386434 /nfs/dbraw/zinc/38/64/34/245386434.db2.gz CGVRIQCRDWNDTF-INIZCTEOSA-N 1 3 373.501 0.942 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931567871 674120069 /nfs/dbraw/zinc/12/00/69/674120069.db2.gz ZGLCASSHLCUCRD-CABCVRRESA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931567871 674120071 /nfs/dbraw/zinc/12/00/71/674120071.db2.gz ZGLCASSHLCUCRD-CABCVRRESA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931567876 674120112 /nfs/dbraw/zinc/12/01/12/674120112.db2.gz ZGLCASSHLCUCRD-LSDHHAIUSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931567876 674120114 /nfs/dbraw/zinc/12/01/14/674120114.db2.gz ZGLCASSHLCUCRD-LSDHHAIUSA-N 1 3 350.467 0.508 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c(C)c2)CC1 ZINC000415464359 245417025 /nfs/dbraw/zinc/41/70/25/245417025.db2.gz LYYYOJMWGGOOJP-UHFFFAOYSA-N 1 3 361.490 0.929 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183375784 209145987 /nfs/dbraw/zinc/14/59/87/209145987.db2.gz DTOKTRNNFLXFLE-CVEARBPZSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848891 245862440 /nfs/dbraw/zinc/86/24/40/245862440.db2.gz LVRMAYKQILSTPM-FXAWDEMLSA-N 1 3 358.486 0.488 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419159817 246024197 /nfs/dbraw/zinc/02/41/97/246024197.db2.gz ZPJPPNFFWHZCEE-DUVNUKRYSA-N 1 3 350.438 0.535 20 0 FCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161601 246025504 /nfs/dbraw/zinc/02/55/04/246025504.db2.gz DNICLTMXBJDUDG-QZTJIDSGSA-N 1 3 374.485 0.343 20 0 FCADHO O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419136148 246011167 /nfs/dbraw/zinc/01/11/67/246011167.db2.gz ORUDPZOPYOYBOM-CQSZACIVSA-N 1 3 350.488 0.554 20 0 FCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419162344 246026639 /nfs/dbraw/zinc/02/66/39/246026639.db2.gz GZYNPTSGSNLZPA-MSOLQXFVSA-N 1 3 374.485 0.343 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000419162923 246026688 /nfs/dbraw/zinc/02/66/88/246026688.db2.gz VQEOOQRBVRSDOE-YYIAUSFCSA-N 1 3 350.507 0.727 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223471 246060934 /nfs/dbraw/zinc/06/09/34/246060934.db2.gz DAMBXHVHIMUISW-NXHRZFHOSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223473 246061056 /nfs/dbraw/zinc/06/10/56/246061056.db2.gz DAMBXHVHIMUISW-RYQLBKOJSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225461 246064420 /nfs/dbraw/zinc/06/44/20/246064420.db2.gz HBQNBHJRRBVQDW-NXHRZFHOSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419225189 246065905 /nfs/dbraw/zinc/06/59/05/246065905.db2.gz GRWNGDICVXLCKE-KBAYOESNSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226542 246066035 /nfs/dbraw/zinc/06/60/35/246066035.db2.gz JEUZHPCFCJYTIR-NQYYFHDYSA-N 1 3 370.497 0.834 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)C[C@H]21 ZINC000419228623 246068158 /nfs/dbraw/zinc/06/81/58/246068158.db2.gz MOHKARMAIDUCAQ-BRSBDYLESA-N 1 3 362.518 0.953 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000419227842 246068703 /nfs/dbraw/zinc/06/87/03/246068703.db2.gz LJNWLKGWHZBZKU-YESZJQIVSA-N 1 3 366.506 0.332 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235358 246070615 /nfs/dbraw/zinc/07/06/15/246070615.db2.gz YVQALCBVNNIEJG-SJORKVTESA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419336334 246103938 /nfs/dbraw/zinc/10/39/38/246103938.db2.gz ACXZHKZLAUUSJO-IAGOWNOFSA-N 1 3 368.522 0.354 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419370452 246121005 /nfs/dbraw/zinc/12/10/05/246121005.db2.gz HJZZJGUYWWTLEO-MRXNPFEDSA-N 1 3 372.513 0.708 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419371674 246122899 /nfs/dbraw/zinc/12/28/99/246122899.db2.gz JJASVQJCQYLMHZ-CRAIPNDOSA-N 1 3 372.513 0.788 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419382409 246126519 /nfs/dbraw/zinc/12/65/19/246126519.db2.gz YYUGZXZUNQHFQR-UHFFFAOYSA-N 1 3 370.497 0.628 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419412021 246148192 /nfs/dbraw/zinc/14/81/92/246148192.db2.gz CGNGUAIHAVFGFW-RDJZCZTQSA-N 1 3 358.486 0.747 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419415677 246149157 /nfs/dbraw/zinc/14/91/57/246149157.db2.gz GEQNVEJGUIGSMQ-GOSISDBHSA-N 1 3 358.486 0.761 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000419416557 246150329 /nfs/dbraw/zinc/15/03/29/246150329.db2.gz WIJJIOXEHACVAX-IAGOWNOFSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000419416557 246150334 /nfs/dbraw/zinc/15/03/34/246150334.db2.gz WIJJIOXEHACVAX-IAGOWNOFSA-N 1 3 368.522 0.722 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399361 246134055 /nfs/dbraw/zinc/13/40/55/246134055.db2.gz JHLQWRMAFPYNJO-QGTPRVQTSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399361 246134058 /nfs/dbraw/zinc/13/40/58/246134058.db2.gz JHLQWRMAFPYNJO-QGTPRVQTSA-N 1 3 358.486 0.867 20 0 FCADHO [NH3+]CC1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000419426762 246157585 /nfs/dbraw/zinc/15/75/85/246157585.db2.gz QYTJDXNPZUIYBS-UHFFFAOYSA-N 1 3 358.486 0.748 20 0 FCADHO COCCNCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000419664144 246236845 /nfs/dbraw/zinc/23/68/45/246236845.db2.gz LPUSHWSARITQRB-UHFFFAOYSA-N 1 3 354.495 0.252 20 0 FCADHO COCC[NH2+]CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419684515 246248069 /nfs/dbraw/zinc/24/80/69/246248069.db2.gz VSVNTRXHAKSFAS-UHFFFAOYSA-N 1 3 368.522 0.501 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419687805 246250388 /nfs/dbraw/zinc/25/03/88/246250388.db2.gz QBQXQTLGJOYJDK-JKSUJKDBSA-N 1 3 366.506 0.476 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000419688985 246252608 /nfs/dbraw/zinc/25/26/08/246252608.db2.gz SHPLFTQHJAGONY-HZPDHXFCSA-N 1 3 366.506 0.191 20 0 FCADHO C[C@]1(CNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CCC[NH2+]C1 ZINC000419690159 246252749 /nfs/dbraw/zinc/25/27/49/246252749.db2.gz UWBULPAUGBXMHT-SFHVURJKSA-N 1 3 366.506 0.254 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@H](CN)C1 ZINC000419717851 246267521 /nfs/dbraw/zinc/26/75/21/246267521.db2.gz VHPAKOUJRTWIMB-OWCLPIDISA-N 1 3 354.495 0.332 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C1CC1 ZINC000419761531 246289264 /nfs/dbraw/zinc/28/92/64/246289264.db2.gz KJKAWXRSXVXVMU-ZWKOTPCHSA-N 1 3 358.486 0.963 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419726613 246272301 /nfs/dbraw/zinc/27/23/01/246272301.db2.gz VBMCZNLNIRLTIQ-AEFFLSMTSA-N 1 3 356.470 0.588 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](CN)C1 ZINC000419822154 246306140 /nfs/dbraw/zinc/30/61/40/246306140.db2.gz OXNFUZREYQAFDQ-HUUCEWRRSA-N 1 3 354.495 0.332 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419872779 246340945 /nfs/dbraw/zinc/34/09/45/246340945.db2.gz FKGSOHFPCHWHDM-BPQIPLTHSA-N 1 3 358.486 0.976 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419837870 246314409 /nfs/dbraw/zinc/31/44/09/246314409.db2.gz XBRVMHYWIISAKL-INIZCTEOSA-N 1 3 367.538 0.154 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)o1 ZINC000419854013 246323619 /nfs/dbraw/zinc/32/36/19/246323619.db2.gz FSBFVUHLHDSYKF-OAHLLOKOSA-N 1 3 350.463 0.594 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000419869435 246337596 /nfs/dbraw/zinc/33/75/96/246337596.db2.gz BMYKOEIQCVRICH-HOTGVXAUSA-N 1 3 364.490 0.983 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419920710 246370830 /nfs/dbraw/zinc/37/08/30/246370830.db2.gz XBSJUDFFCFDAMU-HNNXBMFYSA-N 1 3 364.465 0.832 20 0 FCADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419889303 246352960 /nfs/dbraw/zinc/35/29/60/246352960.db2.gz SAJFCZSHKBYDLG-WIYYLYMNSA-N 1 3 370.497 0.979 20 0 FCADHO CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000419899338 246357924 /nfs/dbraw/zinc/35/79/24/246357924.db2.gz YOOJEEORCUGEOT-QGZVFWFLSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000419905365 246362478 /nfs/dbraw/zinc/36/24/78/246362478.db2.gz WFKDXPBPNANWHE-GJZGRUSLSA-N 1 3 350.463 0.674 20 0 FCADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398566 247019526 /nfs/dbraw/zinc/01/95/26/247019526.db2.gz VOXFKDUERJSMNW-XQQFMLRXSA-N 1 3 357.442 0.768 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1C1CCN(C)CC1 ZINC000423394075 247019663 /nfs/dbraw/zinc/01/96/63/247019663.db2.gz ZLCUKNCKIKADSS-HNNXBMFYSA-N 1 3 367.538 0.057 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCN1C1CCN(C)CC1 ZINC000423394080 247019919 /nfs/dbraw/zinc/01/99/19/247019919.db2.gz ZLCUKNCKIKADSS-OAHLLOKOSA-N 1 3 367.538 0.057 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530551 247044756 /nfs/dbraw/zinc/04/47/56/247044756.db2.gz PPSHROWYMNRVNV-SJORKVTESA-N 1 3 367.538 0.199 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530551 247044763 /nfs/dbraw/zinc/04/47/63/247044763.db2.gz PPSHROWYMNRVNV-SJORKVTESA-N 1 3 367.538 0.199 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573311 247057481 /nfs/dbraw/zinc/05/74/81/247057481.db2.gz WBRGPNDVJSABML-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573311 247057486 /nfs/dbraw/zinc/05/74/86/247057486.db2.gz WBRGPNDVJSABML-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423609917 247074810 /nfs/dbraw/zinc/07/48/10/247074810.db2.gz MDVGXVOSKLFZSA-HZPDHXFCSA-N 1 3 364.515 0.706 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423730587 247131292 /nfs/dbraw/zinc/13/12/92/247131292.db2.gz LIVCPDJZLDTXJQ-GOEBONIOSA-N 1 3 350.463 0.756 20 0 FCADHO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@H]1CNCCO1 ZINC000423747784 247137644 /nfs/dbraw/zinc/13/76/44/247137644.db2.gz PZLYEEDWIHZODM-CVEARBPZSA-N 1 3 355.479 0.631 20 0 FCADHO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@H]1CNCCO1 ZINC000423747784 247137648 /nfs/dbraw/zinc/13/76/48/247137648.db2.gz PZLYEEDWIHZODM-CVEARBPZSA-N 1 3 355.479 0.631 20 0 FCADHO CCN1CCO[C@H](C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000424019477 247161190 /nfs/dbraw/zinc/16/11/90/247161190.db2.gz LWLZOBDMFBASLM-SFHVURJKSA-N 1 3 360.502 0.817 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCO1 ZINC000424470122 247229404 /nfs/dbraw/zinc/22/94/04/247229404.db2.gz AVAYPMVIPXGEQM-HYVNUMGLSA-N 1 3 364.494 0.357 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054675 247287838 /nfs/dbraw/zinc/28/78/38/247287838.db2.gz FQHKSUDMBIZZRG-XWTMOSNGSA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054675 247287841 /nfs/dbraw/zinc/28/78/41/247287841.db2.gz FQHKSUDMBIZZRG-XWTMOSNGSA-N 1 3 362.518 0.872 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424542985 247258215 /nfs/dbraw/zinc/25/82/15/247258215.db2.gz JAIIGJVVRRPETE-RCCFBDPRSA-N 1 3 356.470 0.588 20 0 FCADHO C[NH2+]CC1CCN(Cc2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000435387431 247994641 /nfs/dbraw/zinc/99/46/41/247994641.db2.gz AIVGHJOKCFDKFO-UHFFFAOYSA-N 1 3 351.447 0.999 20 0 FCADHO C[C@H](NCCCC[NH+]1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000439586841 248134746 /nfs/dbraw/zinc/13/47/46/248134746.db2.gz JRUKMALRMDATLP-KRWDZBQOSA-N 1 3 373.505 0.703 20 0 FCADHO C[C@@H](NCCCC[NH+]1CCN(CCO)CC1)c1nnnn1-c1ccccc1 ZINC000439586844 248134773 /nfs/dbraw/zinc/13/47/73/248134773.db2.gz JRUKMALRMDATLP-QGZVFWFLSA-N 1 3 373.505 0.703 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452801455 249332434 /nfs/dbraw/zinc/33/24/34/249332434.db2.gz YEJPBBYXKWWCEH-KRWDZBQOSA-N 1 3 353.507 0.985 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452801455 249332438 /nfs/dbraw/zinc/33/24/38/249332438.db2.gz YEJPBBYXKWWCEH-KRWDZBQOSA-N 1 3 353.507 0.985 20 0 FCADHO COC(=O)CCn1nc(C)c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000470009097 250020661 /nfs/dbraw/zinc/02/06/61/250020661.db2.gz PBSKHHXHGDFKQV-OAHLLOKOSA-N 1 3 365.478 0.350 20 0 FCADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCOCC2 ZINC000469783021 250003707 /nfs/dbraw/zinc/00/37/07/250003707.db2.gz IQTXKOWGRWPVLY-RBUKOAKNSA-N 1 3 369.550 0.940 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000471470803 250104154 /nfs/dbraw/zinc/10/41/54/250104154.db2.gz JYJZLWSSUSWUES-OWCLPIDISA-N 1 3 369.510 0.077 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000471470803 250104159 /nfs/dbraw/zinc/10/41/59/250104159.db2.gz JYJZLWSSUSWUES-OWCLPIDISA-N 1 3 369.510 0.077 20 0 FCADHO C[NH+](C)CCOCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000471651712 250113242 /nfs/dbraw/zinc/11/32/42/250113242.db2.gz GPVYCILMTGWFFR-GOSISDBHSA-N 1 3 364.490 0.631 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H](NC(=O)CN(CC)CC)c1cnn(C)c1 ZINC000269776485 211075294 /nfs/dbraw/zinc/07/52/94/211075294.db2.gz DOIJDFPFNMGJSP-MRXNPFEDSA-N 1 3 366.510 0.377 20 0 FCADHO CCN(CC)CC(=O)N[C@H](CNC(=O)C[NH+](CC)CC)c1cnn(C)c1 ZINC000269776485 211075298 /nfs/dbraw/zinc/07/52/98/211075298.db2.gz DOIJDFPFNMGJSP-MRXNPFEDSA-N 1 3 366.510 0.377 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H](NC(=O)C[NH+](CC)CC)c1cnn(C)c1 ZINC000269776485 211075302 /nfs/dbraw/zinc/07/53/02/211075302.db2.gz DOIJDFPFNMGJSP-MRXNPFEDSA-N 1 3 366.510 0.377 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077622051 208072378 /nfs/dbraw/zinc/07/23/78/208072378.db2.gz QJBKXXYYNQBLGJ-INIZCTEOSA-N 1 3 356.511 0.707 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000092587471 208146535 /nfs/dbraw/zinc/14/65/35/208146535.db2.gz KMAOINRRTJYRBM-HUUCEWRRSA-N 1 3 364.490 0.405 20 0 FCADHO CN(CCN1CCOCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000105211128 208192618 /nfs/dbraw/zinc/19/26/18/208192618.db2.gz KKZNONOGYKZQDW-UHFFFAOYSA-N 1 3 367.538 0.519 20 0 FCADHO CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000119290280 208359147 /nfs/dbraw/zinc/35/91/47/208359147.db2.gz GKFGCRBCJVQBEQ-QGZVFWFLSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000410738297 230227835 /nfs/dbraw/zinc/22/78/35/230227835.db2.gz WEVNAXFWOGJQKK-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000410738297 230227841 /nfs/dbraw/zinc/22/78/41/230227841.db2.gz WEVNAXFWOGJQKK-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000410738299 230228259 /nfs/dbraw/zinc/22/82/59/230228259.db2.gz WEVNAXFWOGJQKK-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000410738299 230228264 /nfs/dbraw/zinc/22/82/64/230228264.db2.gz WEVNAXFWOGJQKK-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921615 488892991 /nfs/dbraw/zinc/89/29/91/488892991.db2.gz OTJCVRARSNBJCL-YJBOKZPZSA-N 1 3 363.506 0.940 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000364232366 488939029 /nfs/dbraw/zinc/93/90/29/488939029.db2.gz YUJWBXZJVQMXBU-HZPDHXFCSA-N 1 3 369.506 0.877 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)CC1 ZINC000050799290 488114715 /nfs/dbraw/zinc/11/47/15/488114715.db2.gz BFGROSSNQDJHOR-INIZCTEOSA-N 1 3 372.535 0.085 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000569810235 491193713 /nfs/dbraw/zinc/19/37/13/491193713.db2.gz HYQPURDMZSWTEW-RRFJBIMHSA-N 1 3 361.490 0.965 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O ZINC000073429844 488384569 /nfs/dbraw/zinc/38/45/69/488384569.db2.gz VFSMAEKZCCQPHS-MRXNPFEDSA-N 1 3 366.506 0.158 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000186620359 488407361 /nfs/dbraw/zinc/40/73/61/488407361.db2.gz BVEJQRTWZJILRD-OAHLLOKOSA-N 1 3 357.524 0.776 20 0 FCADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](CO)O1 ZINC000189183258 488414238 /nfs/dbraw/zinc/41/42/38/488414238.db2.gz UOSQFRMKTFUYEN-WMLDXEAASA-N 1 3 354.495 0.336 20 0 FCADHO CC(C)[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)N1CCOCC1 ZINC000079100720 488427202 /nfs/dbraw/zinc/42/72/02/488427202.db2.gz CPPDEOXUWABPFF-SFHVURJKSA-N 1 3 369.554 0.668 20 0 FCADHO CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)N(CC)CC ZINC000269164571 488475569 /nfs/dbraw/zinc/47/55/69/488475569.db2.gz CNNWCDBDUZZANI-HNNXBMFYSA-N 1 3 356.492 0.983 20 0 FCADHO Cc1cc(N2CC[C@H](N(C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)n(C)n1 ZINC000247498900 488486323 /nfs/dbraw/zinc/48/63/23/488486323.db2.gz LNGVENHOMPSEAW-RDJZCZTQSA-N 1 3 363.506 0.858 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000269301736 488488995 /nfs/dbraw/zinc/48/89/95/488488995.db2.gz QSZCDAMFVDRRHA-IBGZPJMESA-N 1 3 360.502 0.819 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000103210963 488500159 /nfs/dbraw/zinc/50/01/59/488500159.db2.gz UYNXGCOYSBSWKS-GOSISDBHSA-N 1 3 360.502 0.987 20 0 FCADHO CN1CCN(CCCCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000103509917 488502418 /nfs/dbraw/zinc/50/24/18/488502418.db2.gz YZLLCCGVNIDDIT-UHFFFAOYSA-N 1 3 360.506 0.941 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000103607478 488503177 /nfs/dbraw/zinc/50/31/77/488503177.db2.gz NSLWPTLDGXLZIU-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000104800792 488505579 /nfs/dbraw/zinc/50/55/79/488505579.db2.gz JYDKDCWJDGXQLN-MRXNPFEDSA-N 1 3 374.489 0.501 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000104800792 488505581 /nfs/dbraw/zinc/50/55/81/488505581.db2.gz JYDKDCWJDGXQLN-MRXNPFEDSA-N 1 3 374.489 0.501 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000562961476 491203661 /nfs/dbraw/zinc/20/36/61/491203661.db2.gz VVXDNWSQNBMUJW-AWEZNQCLSA-N 1 3 352.504 0.836 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000569925069 491204010 /nfs/dbraw/zinc/20/40/10/491204010.db2.gz YXFHTKRBCVVVRV-NRFANRHFSA-N 1 3 372.513 0.977 20 0 FCADHO CCN1CCN([C@@H]2CCN(CC(=O)NC3CC[NH+](CC)CC3)C2)CC1 ZINC000107371351 488517278 /nfs/dbraw/zinc/51/72/78/488517278.db2.gz BDGMZESVCNLZMV-GOSISDBHSA-N 1 3 351.539 0.299 20 0 FCADHO Cc1cc(NC(=O)CCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261687031 488531102 /nfs/dbraw/zinc/53/11/02/488531102.db2.gz CYJRSVFWLVRKLS-GJZGRUSLSA-N 1 3 363.462 0.892 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NCCN3CCC(O)CC3)CC2)CC1 ZINC000569942138 491205117 /nfs/dbraw/zinc/20/51/17/491205117.db2.gz YTQBIJPUROMPJL-UHFFFAOYSA-N 1 3 366.550 0.756 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122072041 488574895 /nfs/dbraw/zinc/57/48/95/488574895.db2.gz KJSHCWFLZPMKHG-SQNIBIBYSA-N 1 3 358.486 0.663 20 0 FCADHO CC[NH+]1CCN(CCC(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000263736836 488622779 /nfs/dbraw/zinc/62/27/79/488622779.db2.gz ZQAQQUYOYBPGAK-UHFFFAOYSA-N 1 3 374.533 0.477 20 0 FCADHO C(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@H](CN2CCOCC2)C1 ZINC000129565926 488631994 /nfs/dbraw/zinc/63/19/94/488631994.db2.gz OHAMIXMWNOTAQZ-PMACEKPBSA-N 1 3 366.550 0.295 20 0 FCADHO C(C[N@H+]1CC[C@H](CN2CCOCC2)C1)N1CC[C@H](CN2CCOCC2)C1 ZINC000129565926 488631995 /nfs/dbraw/zinc/63/19/95/488631995.db2.gz OHAMIXMWNOTAQZ-PMACEKPBSA-N 1 3 366.550 0.295 20 0 FCADHO Cc1cc(N(C)C)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130597024 488638631 /nfs/dbraw/zinc/63/86/31/488638631.db2.gz PEAZZFDKRINUBY-UHFFFAOYSA-N 1 3 363.506 0.951 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000133308267 488658762 /nfs/dbraw/zinc/65/87/62/488658762.db2.gz WHMMUMOKZHCFHZ-UHFFFAOYSA-N 1 3 364.494 0.764 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C[NH+]1CCCC1 ZINC000137121137 488680119 /nfs/dbraw/zinc/68/01/19/488680119.db2.gz YLZKMLRSSCKIQB-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nncn1-c1ccccc1 ZINC000153676809 488733995 /nfs/dbraw/zinc/73/39/95/488733995.db2.gz KTMMPILFMDWTMS-UHFFFAOYSA-N 1 3 359.478 0.902 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154048557 488738156 /nfs/dbraw/zinc/73/81/56/488738156.db2.gz FPKRRGJMSDUAHH-CQSZACIVSA-N 1 3 350.467 0.326 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154513991 488743797 /nfs/dbraw/zinc/74/37/97/488743797.db2.gz GKQBHRHMYZTLFP-SFHVURJKSA-N 1 3 352.523 0.774 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000154513991 488743798 /nfs/dbraw/zinc/74/37/98/488743798.db2.gz GKQBHRHMYZTLFP-SFHVURJKSA-N 1 3 352.523 0.774 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000570153441 491220235 /nfs/dbraw/zinc/22/02/35/491220235.db2.gz FKHCZGIVLBNSAF-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CN1CCO[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C[C@H]21 ZINC000158869900 488781181 /nfs/dbraw/zinc/78/11/81/488781181.db2.gz JTOAREQMZKEOFC-QZTJIDSGSA-N 1 3 365.522 0.269 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563151962 491222328 /nfs/dbraw/zinc/22/23/28/491222328.db2.gz BJAHOTHETDJQQO-SJORKVTESA-N 1 3 366.506 0.252 20 0 FCADHO COCC[N@H+](C)CCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000171212204 488821252 /nfs/dbraw/zinc/82/12/52/488821252.db2.gz FIHWQXHZOQHGBP-GOSISDBHSA-N 1 3 364.490 0.283 20 0 FCADHO COCC[N@@H+](C)CCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000171212204 488821253 /nfs/dbraw/zinc/82/12/53/488821253.db2.gz FIHWQXHZOQHGBP-GOSISDBHSA-N 1 3 364.490 0.283 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000563163449 491224629 /nfs/dbraw/zinc/22/46/29/491224629.db2.gz VAIXVZQZAVDFPA-UHFFFAOYSA-N 1 3 353.488 0.531 20 0 FCADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000175798097 488855571 /nfs/dbraw/zinc/85/55/71/488855571.db2.gz LPBKXBMDIPOOKI-GGPKGHCWSA-N 1 3 369.550 0.891 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000176013636 488856902 /nfs/dbraw/zinc/85/69/02/488856902.db2.gz HTMXGOLJJSDLLT-SJLPKXTDSA-N 1 3 354.539 0.779 20 0 FCADHO NS(=O)(=O)CCCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179449467 488861297 /nfs/dbraw/zinc/86/12/97/488861297.db2.gz SZJNQHOXHQRVDY-UHFFFAOYSA-N 1 3 374.551 0.369 20 0 FCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)CC1 ZINC000364734859 488994457 /nfs/dbraw/zinc/99/44/57/488994457.db2.gz LSMVISNCUXHLLQ-INIZCTEOSA-N 1 3 353.511 0.176 20 0 FCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)CC1 ZINC000364734859 488994461 /nfs/dbraw/zinc/99/44/61/488994461.db2.gz LSMVISNCUXHLLQ-INIZCTEOSA-N 1 3 353.511 0.176 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)CC1 ZINC000364734859 488994464 /nfs/dbraw/zinc/99/44/64/488994464.db2.gz LSMVISNCUXHLLQ-INIZCTEOSA-N 1 3 353.511 0.176 20 0 FCADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(O)(C[NH3+])CC1 ZINC000563211064 491227727 /nfs/dbraw/zinc/22/77/27/491227727.db2.gz KADDIZFNZNMEAO-QGZVFWFLSA-N 1 3 374.529 0.941 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CN1C1CC1 ZINC000289036039 489037426 /nfs/dbraw/zinc/03/74/26/489037426.db2.gz WHMNWSKZZKNFLV-GJZGRUSLSA-N 1 3 362.474 0.911 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280960265 489044234 /nfs/dbraw/zinc/04/42/34/489044234.db2.gz YRQYKJVHFGEEBU-YLJYHZDGSA-N 1 3 358.486 0.984 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000289324432 489058570 /nfs/dbraw/zinc/05/85/70/489058570.db2.gz IRRIPWCLBITUKW-UHFFFAOYSA-N 1 3 373.501 0.967 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000365420843 489074383 /nfs/dbraw/zinc/07/43/83/489074383.db2.gz HIHZNQCJAKVPDI-GOSISDBHSA-N 1 3 367.538 0.376 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CNc3ccccc3C(N)=O)CC2)CC1 ZINC000289932843 489103082 /nfs/dbraw/zinc/10/30/82/489103082.db2.gz ZAJBJPNDLQGOJB-UHFFFAOYSA-N 1 3 373.501 0.872 20 0 FCADHO CCN1CCN(C(=O)CC2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000554934397 491233324 /nfs/dbraw/zinc/23/33/24/491233324.db2.gz LYMYBWJNANLTAM-IBGZPJMESA-N 1 3 366.550 0.708 20 0 FCADHO CCN1CCN(C(=O)CC2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000554934397 491233329 /nfs/dbraw/zinc/23/33/29/491233329.db2.gz LYMYBWJNANLTAM-IBGZPJMESA-N 1 3 366.550 0.708 20 0 FCADHO CCN1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CN(C)C3CC3)CC2)CC1 ZINC000554934397 491233334 /nfs/dbraw/zinc/23/33/34/491233334.db2.gz LYMYBWJNANLTAM-IBGZPJMESA-N 1 3 366.550 0.708 20 0 FCADHO CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290253615 489124616 /nfs/dbraw/zinc/12/46/16/489124616.db2.gz WPPLVCSXAAGMOB-IRXDYDNUSA-N 1 3 361.490 0.416 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1N(C)C ZINC000331381245 489204146 /nfs/dbraw/zinc/20/41/46/489204146.db2.gz FNPUZAHQJSCVGP-YOEHRIQHSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000331445785 489212812 /nfs/dbraw/zinc/21/28/12/489212812.db2.gz CFYFAJOBPLMXAE-BYNSBNAKSA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000331445785 489212814 /nfs/dbraw/zinc/21/28/14/489212814.db2.gz CFYFAJOBPLMXAE-BYNSBNAKSA-N 1 3 352.479 0.158 20 0 FCADHO O=C1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1CCN1CCOCC1 ZINC000297734467 489232159 /nfs/dbraw/zinc/23/21/59/489232159.db2.gz SOORGZZBWFFITQ-GOSISDBHSA-N 1 3 373.501 0.573 20 0 FCADHO CN1CCN(CCC(C)(C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000563391613 491241134 /nfs/dbraw/zinc/24/11/34/491241134.db2.gz XSDBCBFCEYYIGT-UHFFFAOYSA-N 1 3 350.511 0.591 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000369479638 489243248 /nfs/dbraw/zinc/24/32/48/489243248.db2.gz BGHXRJILGQFEEW-DOTOQJQBSA-N 1 3 354.495 0.507 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000283664763 489288894 /nfs/dbraw/zinc/28/88/94/489288894.db2.gz DSEXHBALDVRUEN-UHFFFAOYSA-N 1 3 364.490 0.701 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000283664763 489288897 /nfs/dbraw/zinc/28/88/97/489288897.db2.gz DSEXHBALDVRUEN-UHFFFAOYSA-N 1 3 364.490 0.701 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000370075982 489313729 /nfs/dbraw/zinc/31/37/29/489313729.db2.gz CUWUBCXMYRUHFK-IRXDYDNUSA-N 1 3 353.511 0.175 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000370271234 489338094 /nfs/dbraw/zinc/33/80/94/489338094.db2.gz RIRDFRXUDNMNLM-UHFFFAOYSA-N 1 3 373.501 0.793 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000286605072 489408954 /nfs/dbraw/zinc/40/89/54/489408954.db2.gz XMCKZXHFSCDGEF-AWEZNQCLSA-N 1 3 365.478 0.095 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(CCOC)C2)CC1=O ZINC000363394466 489462169 /nfs/dbraw/zinc/46/21/69/489462169.db2.gz AQJOZIUNCKAYNK-GVDBMIGSSA-N 1 3 366.506 0.156 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(CCOC)C2)CC1=O ZINC000363394466 489462171 /nfs/dbraw/zinc/46/21/71/489462171.db2.gz AQJOZIUNCKAYNK-GVDBMIGSSA-N 1 3 366.506 0.156 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)[C@@H](C)C1 ZINC000371342872 489478550 /nfs/dbraw/zinc/47/85/50/489478550.db2.gz ZYFOBFOIBFWCDF-BZSNNMDCSA-N 1 3 352.523 0.630 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)[C@@H](C)C1 ZINC000371342872 489478552 /nfs/dbraw/zinc/47/85/52/489478552.db2.gz ZYFOBFOIBFWCDF-BZSNNMDCSA-N 1 3 352.523 0.630 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676696 491256950 /nfs/dbraw/zinc/25/69/50/491256950.db2.gz UZLVNDBRAIXCKZ-VXIBKDFQSA-N 1 3 355.523 0.547 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676696 491256952 /nfs/dbraw/zinc/25/69/52/491256952.db2.gz UZLVNDBRAIXCKZ-VXIBKDFQSA-N 1 3 355.523 0.547 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000423161799 489498440 /nfs/dbraw/zinc/49/84/40/489498440.db2.gz JRJIHSKUODYLNP-WMLDXEAASA-N 1 3 364.465 0.912 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000423165166 489498757 /nfs/dbraw/zinc/49/87/57/489498757.db2.gz APBBRZUNULBWHG-HOCLYGCPSA-N 1 3 364.490 0.922 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423170290 489499710 /nfs/dbraw/zinc/49/97/10/489499710.db2.gz XSDOIHKXEOOKIH-OAHLLOKOSA-N 1 3 350.463 0.689 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423202736 489501928 /nfs/dbraw/zinc/50/19/28/489501928.db2.gz LDXIIPHDYYOALM-ZBFHGGJFSA-N 1 3 364.465 0.912 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423204234 489502117 /nfs/dbraw/zinc/50/21/17/489502117.db2.gz DFDUXOBYHBDHQP-QAETUUGQSA-N 1 3 366.506 0.141 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000423201277 489502165 /nfs/dbraw/zinc/50/21/65/489502165.db2.gz OICUIPRIAWNGEQ-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423199994 489502262 /nfs/dbraw/zinc/50/22/62/489502262.db2.gz DDMKEICRFRBKPH-CYBMUJFWSA-N 1 3 368.428 0.662 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423200216 489502380 /nfs/dbraw/zinc/50/23/80/489502380.db2.gz DYJFZSFTHMEBCP-CQSZACIVSA-N 1 3 368.428 0.662 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423204620 489502819 /nfs/dbraw/zinc/50/28/19/489502819.db2.gz OBCSFVRBRJJUDS-IBGZPJMESA-N 1 3 364.465 0.913 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423205410 489502940 /nfs/dbraw/zinc/50/29/40/489502940.db2.gz VMGZKJGDGGREIP-SFHVURJKSA-N 1 3 360.502 0.817 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000423210114 489503028 /nfs/dbraw/zinc/50/30/28/489503028.db2.gz JSDNJXVUCSYELP-JKSUJKDBSA-N 1 3 356.511 0.387 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423210765 489503044 /nfs/dbraw/zinc/50/30/44/489503044.db2.gz XHTCJBRBXOQVHI-QGZVFWFLSA-N 1 3 364.465 0.926 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423211274 489503346 /nfs/dbraw/zinc/50/33/46/489503346.db2.gz KSJKKFFTGDYPSN-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000423218109 489504132 /nfs/dbraw/zinc/50/41/32/489504132.db2.gz UWOJZYJMKBWTTR-HOCLYGCPSA-N 1 3 354.495 0.141 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423219159 489504810 /nfs/dbraw/zinc/50/48/10/489504810.db2.gz WHAUAGSTYGLOSW-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423267130 489509197 /nfs/dbraw/zinc/50/91/97/489509197.db2.gz SUHODSJPBXNSLG-INIZCTEOSA-N 1 3 368.522 0.260 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423272834 489509891 /nfs/dbraw/zinc/50/98/91/489509891.db2.gz ZNUMCGJSNKXGNR-HOTGVXAUSA-N 1 3 356.511 0.389 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415310687 489514784 /nfs/dbraw/zinc/51/47/84/489514784.db2.gz XKGFQHAYOPXHDH-UHFFFAOYSA-N 1 3 373.501 0.883 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000415404612 489517390 /nfs/dbraw/zinc/51/73/90/489517390.db2.gz NGMRAIJKPRLLBU-OAHLLOKOSA-N 1 3 362.474 0.990 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415413664 489518012 /nfs/dbraw/zinc/51/80/12/489518012.db2.gz IZXDREMEKNSACP-AWEZNQCLSA-N 1 3 350.463 0.846 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415413574 489518350 /nfs/dbraw/zinc/51/83/50/489518350.db2.gz IQSOTPQQUITPCM-CYBMUJFWSA-N 1 3 350.463 0.846 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c2)CC1 ZINC000415448643 489522628 /nfs/dbraw/zinc/52/26/28/489522628.db2.gz VFDMZECBNNQCKJ-QGZVFWFLSA-N 1 3 361.490 0.867 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1CN(C)C ZINC000415727291 489546725 /nfs/dbraw/zinc/54/67/25/489546725.db2.gz QEMIKWQCZOMELK-SFHVURJKSA-N 1 3 373.501 0.501 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000415753847 489550232 /nfs/dbraw/zinc/55/02/32/489550232.db2.gz YYCZWZMGIXQBNY-LSDHHAIUSA-N 1 3 360.458 0.633 20 0 FCADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)CC1 ZINC000415873034 489562432 /nfs/dbraw/zinc/56/24/32/489562432.db2.gz XRQXKNRANDGUHW-SFHVURJKSA-N 1 3 374.485 0.962 20 0 FCADHO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCOC3(CNC3)C2)c1)C1CC1 ZINC000415903061 489564873 /nfs/dbraw/zinc/56/48/73/489564873.db2.gz YNLBOTWAXIQEEA-UHFFFAOYSA-N 1 3 372.469 0.463 20 0 FCADHO C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCOC3(CNC3)C2)c1)C1CC1 ZINC000415903061 489564875 /nfs/dbraw/zinc/56/48/75/489564875.db2.gz YNLBOTWAXIQEEA-UHFFFAOYSA-N 1 3 372.469 0.463 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007255 489567281 /nfs/dbraw/zinc/56/72/81/489567281.db2.gz MLCFDHKYNLWMLL-NEPJUHHUSA-N 1 3 365.400 0.214 20 0 FCADHO [NH3+]CC[C@H](NC(=O)NCC(=O)NCCN1CCCCCC1)C(F)(F)F ZINC000416050925 489568391 /nfs/dbraw/zinc/56/83/91/489568391.db2.gz SJWGXNDGLIDWEU-LBPRGKRZSA-N 1 3 367.416 0.558 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426550020 489574284 /nfs/dbraw/zinc/57/42/84/489574284.db2.gz VNRGSMIUZXRKLY-HOTGVXAUSA-N 1 3 354.495 0.120 20 0 FCADHO CN(C)CCn1nccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000455661189 489597930 /nfs/dbraw/zinc/59/79/30/489597930.db2.gz TVLZQHGIIIIEPJ-OAHLLOKOSA-N 1 3 352.483 0.803 20 0 FCADHO CN(C)CCn1nccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000455661189 489597933 /nfs/dbraw/zinc/59/79/33/489597933.db2.gz TVLZQHGIIIIEPJ-OAHLLOKOSA-N 1 3 352.483 0.803 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591689 489615060 /nfs/dbraw/zinc/61/50/60/489615060.db2.gz MMTCUUGOVFLXLX-BBRMVZONSA-N 1 3 374.489 0.687 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000416971290 489637409 /nfs/dbraw/zinc/63/74/09/489637409.db2.gz CRXCZBVANVLMKE-QGZVFWFLSA-N 1 3 350.463 0.805 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000416971572 489637559 /nfs/dbraw/zinc/63/75/59/489637559.db2.gz PUUQISHGDWEOAM-UHFFFAOYSA-N 1 3 363.506 0.722 20 0 FCADHO CCN1CCC[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417219775 489645135 /nfs/dbraw/zinc/64/51/35/489645135.db2.gz WPEXEXJTEZOHMR-INMHGKMJSA-N 1 3 351.495 0.417 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417342191 489648924 /nfs/dbraw/zinc/64/89/24/489648924.db2.gz CKKCOBCYDRYFNR-MRXNPFEDSA-N 1 3 350.463 0.805 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417362056 489649299 /nfs/dbraw/zinc/64/92/99/489649299.db2.gz DIXCMVRKEARCFD-IAGOWNOFSA-N 1 3 360.506 0.972 20 0 FCADHO C[C@H]1CN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000417383750 489650987 /nfs/dbraw/zinc/65/09/87/489650987.db2.gz KQDZIJUCCNJRPM-FUHWJXTLSA-N 1 3 360.506 0.972 20 0 FCADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)N1CCN(C)CC1 ZINC000457622628 489651460 /nfs/dbraw/zinc/65/14/60/489651460.db2.gz QNRVSAYNTZHKNI-MSOLQXFVSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622628 489651463 /nfs/dbraw/zinc/65/14/63/489651463.db2.gz QNRVSAYNTZHKNI-MSOLQXFVSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622628 489651465 /nfs/dbraw/zinc/65/14/65/489651465.db2.gz QNRVSAYNTZHKNI-MSOLQXFVSA-N 1 3 369.554 0.404 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417428357 489652921 /nfs/dbraw/zinc/65/29/21/489652921.db2.gz KUTIEIUCGZWVLI-PMPSAXMXSA-N 1 3 353.511 0.746 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000417460902 489654732 /nfs/dbraw/zinc/65/47/32/489654732.db2.gz RPUSEJVQECIKAM-INIZCTEOSA-N 1 3 350.463 0.805 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417572043 489658741 /nfs/dbraw/zinc/65/87/41/489658741.db2.gz YACAIIAPPHUQMN-HOCLYGCPSA-N 1 3 353.511 0.746 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417750246 489664256 /nfs/dbraw/zinc/66/42/56/489664256.db2.gz KKZPVIIRNDNPOJ-AEFFLSMTSA-N 1 3 355.527 0.328 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417753358 489664598 /nfs/dbraw/zinc/66/45/98/489664598.db2.gz OLKPJLPTMCDJGY-DLBZAZTESA-N 1 3 356.511 0.883 20 0 FCADHO CC(C)N1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000428839291 489666242 /nfs/dbraw/zinc/66/62/42/489666242.db2.gz JFSPNZYHVLNYLO-INIZCTEOSA-N 1 3 365.522 0.854 20 0 FCADHO CN(C)CCOc1cc(CNC(=O)NCCCN2CC[NH2+]CC2)ccn1 ZINC000417947259 489673273 /nfs/dbraw/zinc/67/32/73/489673273.db2.gz HJUWAJYOYGIQNY-UHFFFAOYSA-N 1 3 364.494 0.117 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000418067977 489677354 /nfs/dbraw/zinc/67/73/54/489677354.db2.gz CONHRLGJFIOEHY-ZWKOTPCHSA-N 1 3 362.474 0.647 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418305913 489691097 /nfs/dbraw/zinc/69/10/97/489691097.db2.gz PUYZGEXNDUYSNJ-UHFFFAOYSA-N 1 3 351.470 0.804 20 0 FCADHO C[NH2+]CCNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418335948 489692860 /nfs/dbraw/zinc/69/28/60/489692860.db2.gz WNLVIJFXCJFMDD-QGZVFWFLSA-N 1 3 360.506 0.845 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000418347708 489693434 /nfs/dbraw/zinc/69/34/34/489693434.db2.gz QUHJLASOZAPLHI-HOTGVXAUSA-N 1 3 353.511 0.570 20 0 FCADHO C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418512976 489703094 /nfs/dbraw/zinc/70/30/94/489703094.db2.gz LXNAIDXAGIQPKQ-SJORKVTESA-N 1 3 360.506 0.972 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418636575 489713595 /nfs/dbraw/zinc/71/35/95/489713595.db2.gz MJLLIYLXVAVJAP-FUHWJXTLSA-N 1 3 373.501 0.903 20 0 FCADHO C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459539824 489737977 /nfs/dbraw/zinc/73/79/77/489737977.db2.gz QCVFLVQTUVAHGC-WBVHZDCISA-N 1 3 354.520 0.883 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418847282 489754734 /nfs/dbraw/zinc/75/47/34/489754734.db2.gz HTFIEEOXPMWXAO-SJORKVTESA-N 1 3 362.474 0.372 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418855851 489759410 /nfs/dbraw/zinc/75/94/10/489759410.db2.gz VSTMPFJOUZAVIN-MSOLQXFVSA-N 1 3 360.502 0.734 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418855264 489759671 /nfs/dbraw/zinc/75/96/71/489759671.db2.gz UPKBUBJWEDAZGK-OKYOBFRVSA-N 1 3 372.513 0.861 20 0 FCADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418863597 489764055 /nfs/dbraw/zinc/76/40/55/489764055.db2.gz PMPBCHGPDMYEKM-IRXDYDNUSA-N 1 3 360.458 0.044 20 0 FCADHO COCC[C@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000430714837 489766855 /nfs/dbraw/zinc/76/68/55/489766855.db2.gz PWAHVBRDVDNXBC-GOSISDBHSA-N 1 3 354.495 0.062 20 0 FCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)N[C@H](CN)C3CC3)CC2)CC1 ZINC000418873922 489768866 /nfs/dbraw/zinc/76/88/66/489768866.db2.gz YPPXJCUNJBUNQN-OFLPRAFFSA-N 1 3 350.507 0.999 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418873651 489768941 /nfs/dbraw/zinc/76/89/41/489768941.db2.gz IICKKEGSKJTALY-KURKYZTESA-N 1 3 358.486 0.343 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418875047 489769522 /nfs/dbraw/zinc/76/95/22/489769522.db2.gz CMAGATGWEMMEAY-OAHLLOKOSA-N 1 3 354.495 0.381 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418877452 489770784 /nfs/dbraw/zinc/77/07/84/489770784.db2.gz IYEKTAUQENFMGN-PMPSAXMXSA-N 1 3 354.495 0.332 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418878998 489771362 /nfs/dbraw/zinc/77/13/62/489771362.db2.gz MVLMNFUEPWSAGQ-GDBMZVCRSA-N 1 3 354.495 0.237 20 0 FCADHO C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430932014 489778936 /nfs/dbraw/zinc/77/89/36/489778936.db2.gz DCPQUYLLAPBQBG-CZUORRHYSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N(C)CCN(C)C)CC2)C[C@H](C)O1 ZINC000459891309 489782716 /nfs/dbraw/zinc/78/27/16/489782716.db2.gz BBJJZYCOHJSNQN-IYBDPMFKSA-N 1 3 368.522 0.354 20 0 FCADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N(C)CCN(C)C)CC2)C[C@H](C)O1 ZINC000459891309 489782718 /nfs/dbraw/zinc/78/27/18/489782718.db2.gz BBJJZYCOHJSNQN-IYBDPMFKSA-N 1 3 368.522 0.354 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000459896049 489783794 /nfs/dbraw/zinc/78/37/94/489783794.db2.gz DVIPJZFDQBMHJK-IBGZPJMESA-N 1 3 352.523 0.977 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000459896049 489783797 /nfs/dbraw/zinc/78/37/97/489783797.db2.gz DVIPJZFDQBMHJK-IBGZPJMESA-N 1 3 352.523 0.977 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000570991090 491278788 /nfs/dbraw/zinc/27/87/88/491278788.db2.gz TXQDWFYYGDVKCC-IRXDYDNUSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915238 489790292 /nfs/dbraw/zinc/79/02/92/489790292.db2.gz IBVIXCASPHWLRB-GJRWTSMGSA-N 1 3 368.522 0.842 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418930721 489793813 /nfs/dbraw/zinc/79/38/13/489793813.db2.gz DUTGRSFSWQIGJL-HNNXBMFYSA-N 1 3 354.495 0.108 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000459921170 489794181 /nfs/dbraw/zinc/79/41/81/489794181.db2.gz OKDVNNFJNAIHPD-KRWDZBQOSA-N 1 3 367.538 0.025 20 0 FCADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 ZINC000563955695 491279444 /nfs/dbraw/zinc/27/94/44/491279444.db2.gz SUXOJADPIGHMAR-CYBMUJFWSA-N 1 3 358.446 0.833 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418955405 489803689 /nfs/dbraw/zinc/80/36/89/489803689.db2.gz XXSKUCPKNAIPFZ-XIRDDKMYSA-N 1 3 368.522 0.578 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000418984951 489810658 /nfs/dbraw/zinc/81/06/58/489810658.db2.gz FKKIMIOBVRBVEL-OKZBNKHCSA-N 1 3 358.486 0.950 20 0 FCADHO CN(CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419005837 489815266 /nfs/dbraw/zinc/81/52/66/489815266.db2.gz RUYBNMBCXXVZMC-QGZVFWFLSA-N 1 3 362.474 0.119 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419017555 489819728 /nfs/dbraw/zinc/81/97/28/489819728.db2.gz BBMYDKFNDRZDGM-XUWVNRHRSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419022317 489821810 /nfs/dbraw/zinc/82/18/10/489821810.db2.gz IEOAJWLWHYWBBL-KFWWJZLASA-N 1 3 368.522 0.842 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000419022317 489821813 /nfs/dbraw/zinc/82/18/13/489821813.db2.gz IEOAJWLWHYWBBL-KFWWJZLASA-N 1 3 368.522 0.842 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419030257 489825737 /nfs/dbraw/zinc/82/57/37/489825737.db2.gz SVVMWUAXXBMADF-ZHCJQAHYSA-N 1 3 368.522 0.434 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CN)[C@H](C)C1 ZINC000419043227 489831554 /nfs/dbraw/zinc/83/15/54/489831554.db2.gz QVCVLURFKPFUOE-IKGGRYGDSA-N 1 3 368.522 0.579 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CN)[C@H](C)C1 ZINC000419043227 489831558 /nfs/dbraw/zinc/83/15/58/489831558.db2.gz QVCVLURFKPFUOE-IKGGRYGDSA-N 1 3 368.522 0.579 20 0 FCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000419046536 489833205 /nfs/dbraw/zinc/83/32/05/489833205.db2.gz VPTKPWJZPWZQLH-UHFFFAOYSA-N 1 3 356.511 0.626 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069169 489843530 /nfs/dbraw/zinc/84/35/30/489843530.db2.gz GBXUQUYREMOEPQ-WBVHZDCISA-N 1 3 362.474 0.754 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000460081673 489846927 /nfs/dbraw/zinc/84/69/27/489846927.db2.gz MHYMAJASNBCGLZ-IBGZPJMESA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000460081673 489846930 /nfs/dbraw/zinc/84/69/30/489846930.db2.gz MHYMAJASNBCGLZ-IBGZPJMESA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419076962 489847025 /nfs/dbraw/zinc/84/70/25/489847025.db2.gz IJNNBBICZCIVOF-ZNMIVQPWSA-N 1 3 354.495 0.596 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551379 489847459 /nfs/dbraw/zinc/84/74/59/489847459.db2.gz DVFYTWLHHGYPQK-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551379 489847464 /nfs/dbraw/zinc/84/74/64/489847464.db2.gz DVFYTWLHHGYPQK-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO COc1cccc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000555929972 491284008 /nfs/dbraw/zinc/28/40/08/491284008.db2.gz VQSUMCYRACOABH-OAHLLOKOSA-N 1 3 364.490 0.824 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993322 489875752 /nfs/dbraw/zinc/87/57/52/489875752.db2.gz FBRGOAMOFKOWJA-NJAFHUGGSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993322 489875754 /nfs/dbraw/zinc/87/57/54/489875754.db2.gz FBRGOAMOFKOWJA-NJAFHUGGSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420012147 489880845 /nfs/dbraw/zinc/88/08/45/489880845.db2.gz ASVSPJZLRJOMGV-KCQAQPDRSA-N 1 3 354.495 0.404 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000420015290 489881071 /nfs/dbraw/zinc/88/10/71/489881071.db2.gz LSFUUJTYVYHRPN-QGZVFWFLSA-N 1 3 361.490 0.856 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040946 489890975 /nfs/dbraw/zinc/89/09/75/489890975.db2.gz PLYYMMLGWMWBDL-ZFWWWQNUSA-N 1 3 352.479 0.302 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)C2)CC1 ZINC000420058068 489896512 /nfs/dbraw/zinc/89/65/12/489896512.db2.gz DTERSGAQZWVYMP-SJORKVTESA-N 1 3 350.507 0.810 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H](CN)C3CCCC3)C2)CC1 ZINC000420058062 489896910 /nfs/dbraw/zinc/89/69/10/489896910.db2.gz DTERSGAQZWVYMP-DLBZAZTESA-N 1 3 350.507 0.810 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420087415 489907240 /nfs/dbraw/zinc/90/72/40/489907240.db2.gz POQXRKICXBDWRY-SJORKVTESA-N 1 3 368.522 0.579 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097686 489911592 /nfs/dbraw/zinc/91/15/92/489911592.db2.gz AFQJTXLYLKSDQH-WMLDXEAASA-N 1 3 364.465 0.973 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000420112035 489916293 /nfs/dbraw/zinc/91/62/93/489916293.db2.gz XIRDKYSEDYFOPQ-VQIMIIECSA-N 1 3 350.507 0.969 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000420141253 489928724 /nfs/dbraw/zinc/92/87/24/489928724.db2.gz ZBSPHNOFSFWSLL-ZFWWWQNUSA-N 1 3 350.463 0.735 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171941 489939627 /nfs/dbraw/zinc/93/96/27/489939627.db2.gz USENZCZYJPPIBR-CVEARBPZSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420197151 489948618 /nfs/dbraw/zinc/94/86/18/489948618.db2.gz LIJYKHKDFWNYLW-DZGCQCFKSA-N 1 3 352.504 0.882 20 0 FCADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345295 489965725 /nfs/dbraw/zinc/96/57/25/489965725.db2.gz ALOYISKPPJQQCR-MOPGFXCFSA-N 1 3 359.518 0.385 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000420392353 489971781 /nfs/dbraw/zinc/97/17/81/489971781.db2.gz PJSDUKOERWEDNN-SZMVWBNQSA-N 1 3 352.523 0.757 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000477626592 489979336 /nfs/dbraw/zinc/97/93/36/489979336.db2.gz LTPVDYPEJZEKCU-CVEARBPZSA-N 1 3 354.495 0.202 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000477650081 489981748 /nfs/dbraw/zinc/98/17/48/489981748.db2.gz XKYIOHRHISIOGZ-AWEZNQCLSA-N 1 3 356.511 0.306 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000477652062 489981811 /nfs/dbraw/zinc/98/18/11/489981811.db2.gz KSIOIRFMFYMXOP-UHFFFAOYSA-N 1 3 370.538 0.791 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420473202 489983012 /nfs/dbraw/zinc/98/30/12/489983012.db2.gz DGZZEINAJMKIJN-DOMZBBRYSA-N 1 3 357.524 0.667 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887232 489994964 /nfs/dbraw/zinc/99/49/64/489994964.db2.gz ACBYWBNZGKNXAA-XLAORIBOSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085947 491293726 /nfs/dbraw/zinc/29/37/26/491293726.db2.gz YSWAXLJQDRGXJJ-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085947 491293729 /nfs/dbraw/zinc/29/37/29/491293729.db2.gz YSWAXLJQDRGXJJ-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438715871 490036540 /nfs/dbraw/zinc/03/65/40/490036540.db2.gz XSWOTTHMZPPWMR-UHFFFAOYSA-N 1 3 366.510 1.456 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395848 490059194 /nfs/dbraw/zinc/05/91/94/490059194.db2.gz CDHAAGVIEPABTQ-IRXDYDNUSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000571289399 491298130 /nfs/dbraw/zinc/29/81/30/491298130.db2.gz ABOVFFAXAPSWJZ-QUCCMNQESA-N 1 3 361.534 0.886 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506440296 490091904 /nfs/dbraw/zinc/09/19/04/490091904.db2.gz UFZFNWBYYLLWJN-UHFFFAOYSA-N 1 3 372.513 0.756 20 0 FCADHO CCc1nncn1CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000545260337 490106486 /nfs/dbraw/zinc/10/64/86/490106486.db2.gz UDVSGCFMOPRVNG-MRXNPFEDSA-N 1 3 365.526 0.898 20 0 FCADHO CCc1nncn1CCNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000545260337 490106490 /nfs/dbraw/zinc/10/64/90/490106490.db2.gz UDVSGCFMOPRVNG-MRXNPFEDSA-N 1 3 365.526 0.898 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCNCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677477 490125205 /nfs/dbraw/zinc/12/52/05/490125205.db2.gz CPIQACGNTQKIFU-FUHWJXTLSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCNCC2)CC[N@H+]1Cc1ccccc1 ZINC000379677477 490125220 /nfs/dbraw/zinc/12/52/20/490125220.db2.gz CPIQACGNTQKIFU-FUHWJXTLSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839717 490147536 /nfs/dbraw/zinc/14/75/36/490147536.db2.gz JJUXCQDMSIHEGR-OAGGEKHMSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839717 490147543 /nfs/dbraw/zinc/14/75/43/490147543.db2.gz JJUXCQDMSIHEGR-OAGGEKHMSA-N 1 3 353.511 0.711 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000556206746 491302918 /nfs/dbraw/zinc/30/29/18/491302918.db2.gz QJWIPJHQHHBWGF-SFHVURJKSA-N 1 3 370.563 0.778 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422126702 490178286 /nfs/dbraw/zinc/17/82/86/490178286.db2.gz XAJNSMJGACKGCZ-IAGOWNOFSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H](C)C1 ZINC000556363873 491312315 /nfs/dbraw/zinc/31/23/15/491312315.db2.gz PFEXHRSEBZDBNB-QBPKDAKJSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](C)C1 ZINC000556363873 491312316 /nfs/dbraw/zinc/31/23/16/491312316.db2.gz PFEXHRSEBZDBNB-QBPKDAKJSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897326 490309656 /nfs/dbraw/zinc/30/96/56/490309656.db2.gz BGJMKTBTVMGNDH-RDJZCZTQSA-N 1 3 361.490 0.476 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484091 490351354 /nfs/dbraw/zinc/35/13/54/490351354.db2.gz BWIWKBXXKMHBSO-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484091 490351362 /nfs/dbraw/zinc/35/13/62/490351362.db2.gz BWIWKBXXKMHBSO-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000522187722 490351492 /nfs/dbraw/zinc/35/14/92/490351492.db2.gz ZMKRZXZTRGYLSE-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000522187722 490351498 /nfs/dbraw/zinc/35/14/98/490351498.db2.gz ZMKRZXZTRGYLSE-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522443411 490378646 /nfs/dbraw/zinc/37/86/46/490378646.db2.gz DUGOFBKWCHSLCS-ULQDDVLXSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000522443411 490378648 /nfs/dbraw/zinc/37/86/48/490378648.db2.gz DUGOFBKWCHSLCS-ULQDDVLXSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522443412 490378737 /nfs/dbraw/zinc/37/87/37/490378737.db2.gz DUGOFBKWCHSLCS-ZACQAIPSSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000522443412 490378740 /nfs/dbraw/zinc/37/87/40/490378740.db2.gz DUGOFBKWCHSLCS-ZACQAIPSSA-N 1 3 365.522 0.855 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)N(C)C)ccc1OCC[NH+](C)C ZINC000411147869 490395032 /nfs/dbraw/zinc/39/50/32/490395032.db2.gz YVOLGJUGALUPGH-AWEZNQCLSA-N 1 3 350.463 0.940 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739114 491323949 /nfs/dbraw/zinc/32/39/49/491323949.db2.gz BHGVUVJPFWASBD-OKZBNKHCSA-N 1 3 371.485 0.462 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739114 491323950 /nfs/dbraw/zinc/32/39/50/491323950.db2.gz BHGVUVJPFWASBD-OKZBNKHCSA-N 1 3 371.485 0.462 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000509266014 490409225 /nfs/dbraw/zinc/40/92/25/490409225.db2.gz XETGYABOSZPPFB-UHFFFAOYSA-N 1 3 367.538 0.914 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423521 490425986 /nfs/dbraw/zinc/42/59/86/490425986.db2.gz AUXUSDVKDZTUAA-QGZVFWFLSA-N 1 3 370.538 0.976 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCOCC1 ZINC000509423521 490425990 /nfs/dbraw/zinc/42/59/90/490425990.db2.gz AUXUSDVKDZTUAA-QGZVFWFLSA-N 1 3 370.538 0.976 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535007803 490435411 /nfs/dbraw/zinc/43/54/11/490435411.db2.gz NMLIFYNPRMNPIL-OTWHNJEPSA-N 1 3 363.550 0.393 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535007803 490435416 /nfs/dbraw/zinc/43/54/16/490435416.db2.gz NMLIFYNPRMNPIL-OTWHNJEPSA-N 1 3 363.550 0.393 20 0 FCADHO CC1[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000449944334 490438035 /nfs/dbraw/zinc/43/80/35/490438035.db2.gz HLQMMFMOQKKZRX-WNRNVDISSA-N 1 3 364.534 0.974 20 0 FCADHO CC1[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000449944334 490438042 /nfs/dbraw/zinc/43/80/42/490438042.db2.gz HLQMMFMOQKKZRX-WNRNVDISSA-N 1 3 364.534 0.974 20 0 FCADHO C[C@@]1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000571746817 491326459 /nfs/dbraw/zinc/32/64/59/491326459.db2.gz XMDQAYMTXGWSFY-GOSISDBHSA-N 1 3 351.495 0.326 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000509723937 490458548 /nfs/dbraw/zinc/45/85/48/490458548.db2.gz ZZPZTHWFMRRIFL-QGZVFWFLSA-N 1 3 368.522 0.548 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000509739909 490459029 /nfs/dbraw/zinc/45/90/29/490459029.db2.gz WTBNCDZUMCDHCY-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000509739909 490459034 /nfs/dbraw/zinc/45/90/34/490459034.db2.gz WTBNCDZUMCDHCY-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CC(=O)N1CCN(CCOc2ccc(CCN[C@@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000422702157 490459888 /nfs/dbraw/zinc/45/98/88/490459888.db2.gz DGTYSWLJWMEIFD-KRWDZBQOSA-N 1 3 374.529 0.970 20 0 FCADHO CC(=O)N1CCN(CCOc2ccc(CC[NH2+][C@@H](C)C3CNC3)cc2)CC1 ZINC000422702157 490459896 /nfs/dbraw/zinc/45/98/96/490459896.db2.gz DGTYSWLJWMEIFD-KRWDZBQOSA-N 1 3 374.529 0.970 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909478 490477712 /nfs/dbraw/zinc/47/77/12/490477712.db2.gz SPRCSQBPUANTDF-ZFWWWQNUSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422837260 490483752 /nfs/dbraw/zinc/48/37/52/490483752.db2.gz LRUVRSHFTVDYRG-NVXWUHKLSA-N 1 3 354.539 0.970 20 0 FCADHO C[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000523915384 490503199 /nfs/dbraw/zinc/50/31/99/490503199.db2.gz BLEYWHKRGNIVCE-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000422969871 490507894 /nfs/dbraw/zinc/50/78/94/490507894.db2.gz DTBLIUOQARJKJM-ZGUYJTEBSA-N 1 3 358.486 0.929 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000510381833 490512465 /nfs/dbraw/zinc/51/24/65/490512465.db2.gz ZQAXUCWOMLTWPU-BBWFWOEESA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000510381833 490512471 /nfs/dbraw/zinc/51/24/71/490512471.db2.gz ZQAXUCWOMLTWPU-BBWFWOEESA-N 1 3 352.523 0.881 20 0 FCADHO CN(CCNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CC1 ZINC000485484245 490533812 /nfs/dbraw/zinc/53/38/12/490533812.db2.gz YOUAOTPQYKSWOI-UHFFFAOYSA-N 1 3 354.495 0.156 20 0 FCADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000485562853 490543528 /nfs/dbraw/zinc/54/35/28/490543528.db2.gz QRTJKKOCEJHIQP-UHFFFAOYSA-N 1 3 373.501 0.967 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1Cn1cncn1 ZINC000548963481 490557373 /nfs/dbraw/zinc/55/73/73/490557373.db2.gz YAALFBDIKALREA-UHFFFAOYSA-N 1 3 373.505 0.961 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000524935577 490570601 /nfs/dbraw/zinc/57/06/01/490570601.db2.gz NWIAFHDOCQULPR-UHFFFAOYSA-N 1 3 353.511 0.522 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000556794335 491336710 /nfs/dbraw/zinc/33/67/10/491336710.db2.gz AAAUZIWGUZFNHR-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000525302924 490594857 /nfs/dbraw/zinc/59/48/57/490594857.db2.gz ZNBLNHXGFUFVRZ-IRXDYDNUSA-N 1 3 365.522 0.844 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000525302924 490594865 /nfs/dbraw/zinc/59/48/65/490594865.db2.gz ZNBLNHXGFUFVRZ-IRXDYDNUSA-N 1 3 365.522 0.844 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000525302922 490595353 /nfs/dbraw/zinc/59/53/53/490595353.db2.gz ZNBLNHXGFUFVRZ-DLBZAZTESA-N 1 3 365.522 0.844 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000525302922 490595358 /nfs/dbraw/zinc/59/53/58/490595358.db2.gz ZNBLNHXGFUFVRZ-DLBZAZTESA-N 1 3 365.522 0.844 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619629 490623957 /nfs/dbraw/zinc/62/39/57/490623957.db2.gz CQXMJFJLEKSDGB-HFTRVMKXSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619629 490623964 /nfs/dbraw/zinc/62/39/64/490623964.db2.gz CQXMJFJLEKSDGB-HFTRVMKXSA-N 1 3 362.518 0.966 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1=O ZINC000501628691 490625803 /nfs/dbraw/zinc/62/58/03/490625803.db2.gz JMUVAUBMDUJJKY-KRWDZBQOSA-N 1 3 352.523 0.977 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1N(C)C ZINC000501632858 490628569 /nfs/dbraw/zinc/62/85/69/490628569.db2.gz BJDKZQFWKXDWBJ-PVAVHDDUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1N(C)C ZINC000501632858 490628574 /nfs/dbraw/zinc/62/85/74/490628574.db2.gz BJDKZQFWKXDWBJ-PVAVHDDUSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640296 490629396 /nfs/dbraw/zinc/62/93/96/490629396.db2.gz OZRAZTRSCANDNO-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640296 490629400 /nfs/dbraw/zinc/62/94/00/490629400.db2.gz OZRAZTRSCANDNO-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000550132158 490629490 /nfs/dbraw/zinc/62/94/90/490629490.db2.gz BXTTUIZZYLDFDH-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645985 490630740 /nfs/dbraw/zinc/63/07/40/490630740.db2.gz MVKHMZJKRPNDNY-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645985 490630746 /nfs/dbraw/zinc/63/07/46/490630746.db2.gz MVKHMZJKRPNDNY-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1nc2cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc2n1C ZINC000525882480 490645325 /nfs/dbraw/zinc/64/53/25/490645325.db2.gz PSASPEKJJVAJAJ-UHFFFAOYSA-N 1 3 374.489 0.772 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550319226 490659354 /nfs/dbraw/zinc/65/93/54/490659354.db2.gz JIMXSINVOLKIOP-QGZVFWFLSA-N 1 3 366.506 0.299 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000556952048 491344776 /nfs/dbraw/zinc/34/47/76/491344776.db2.gz SKJKSGDNTSSOAI-UHFFFAOYSA-N 1 3 362.474 0.745 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000526131706 490677613 /nfs/dbraw/zinc/67/76/13/490677613.db2.gz LQVTXVHBQWUIEA-UHFFFAOYSA-N 1 3 364.446 0.348 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000512666942 490692773 /nfs/dbraw/zinc/69/27/73/490692773.db2.gz MYBUTJKDLLPNHE-ROUUACIJSA-N 1 3 367.538 0.303 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000512666942 490692776 /nfs/dbraw/zinc/69/27/76/490692776.db2.gz MYBUTJKDLLPNHE-ROUUACIJSA-N 1 3 367.538 0.303 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527124399 490701210 /nfs/dbraw/zinc/70/12/10/490701210.db2.gz PKRMEDDHEJAYLN-HNNXBMFYSA-N 1 3 362.474 0.752 20 0 FCADHO CCn1nc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C1CC1 ZINC000527124270 490701514 /nfs/dbraw/zinc/70/15/14/490701514.db2.gz RAKKZOIWIXYTSP-UHFFFAOYSA-N 1 3 364.494 0.671 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1 ZINC000527374036 490720760 /nfs/dbraw/zinc/72/07/60/490720760.db2.gz FXEWZHKZERBMAC-UHFFFAOYSA-N 1 3 351.451 0.289 20 0 FCADHO CCOCCOC1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000538632116 490741510 /nfs/dbraw/zinc/74/15/10/490741510.db2.gz AXVAWMDJBVZPPJ-UHFFFAOYSA-N 1 3 368.522 0.992 20 0 FCADHO COC(=O)[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000503356377 490752431 /nfs/dbraw/zinc/75/24/31/490752431.db2.gz FTPTUMGGZHJLEO-MRXNPFEDSA-N 1 3 368.478 0.128 20 0 FCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000514663238 490779874 /nfs/dbraw/zinc/77/98/74/490779874.db2.gz HZUGRZLEGQFEDN-GJZGRUSLSA-N 1 3 359.465 0.795 20 0 FCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000514663238 490779876 /nfs/dbraw/zinc/77/98/76/490779876.db2.gz HZUGRZLEGQFEDN-GJZGRUSLSA-N 1 3 359.465 0.795 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000514861880 490793457 /nfs/dbraw/zinc/79/34/57/490793457.db2.gz VKTQZMFMUOTUKE-JJRVBVJISA-N 1 3 362.474 0.111 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156137 491356306 /nfs/dbraw/zinc/35/63/06/491356306.db2.gz IEELOITYNQCWHS-UKRRQHHQSA-N 1 3 368.503 0.194 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000515188380 490812323 /nfs/dbraw/zinc/81/23/23/490812323.db2.gz FQHFXAPNPIJUAA-UHFFFAOYSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC000515346945 490820307 /nfs/dbraw/zinc/82/03/07/490820307.db2.gz HCPHOTLHCYCDQX-HZPDHXFCSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC000515346943 490820574 /nfs/dbraw/zinc/82/05/74/490820574.db2.gz HCPHOTLHCYCDQX-CVEARBPZSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557237402 491360773 /nfs/dbraw/zinc/36/07/73/491360773.db2.gz QXUGOJDTENBZRD-ZRNYENFQSA-N 1 3 369.513 0.806 20 0 FCADHO C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1=CCN(C)CC1 ZINC000540965234 490843065 /nfs/dbraw/zinc/84/30/65/490843065.db2.gz QEDUESPIVWBSME-HNNXBMFYSA-N 1 3 365.522 0.879 20 0 FCADHO CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)CC1 ZINC000541809488 490872890 /nfs/dbraw/zinc/87/28/90/490872890.db2.gz IUTCDJAVNCAWGY-GOSISDBHSA-N 1 3 363.550 0.252 20 0 FCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000516786821 490878234 /nfs/dbraw/zinc/87/82/34/490878234.db2.gz GWNLHDQRJPFNHR-OWCLPIDISA-N 1 3 351.495 0.452 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000516786821 490878236 /nfs/dbraw/zinc/87/82/36/490878236.db2.gz GWNLHDQRJPFNHR-OWCLPIDISA-N 1 3 351.495 0.452 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000516970998 490888331 /nfs/dbraw/zinc/88/83/31/490888331.db2.gz HQIGQLAPXWSSJT-OALUTQOASA-N 1 3 361.486 0.488 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241527 490895188 /nfs/dbraw/zinc/89/51/88/490895188.db2.gz QNZSUOZJPONMNJ-QAPCUYQASA-N 1 3 366.506 0.156 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241538 490895326 /nfs/dbraw/zinc/89/53/26/490895326.db2.gz QQOVSBDFSRUPCJ-HYVNUMGLSA-N 1 3 366.506 0.189 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000517562157 490912079 /nfs/dbraw/zinc/91/20/79/490912079.db2.gz MRLITXDKRLAZCT-GOSISDBHSA-N 1 3 358.486 0.979 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000530641487 490917272 /nfs/dbraw/zinc/91/72/72/490917272.db2.gz JVZWBYRGHMJGCL-UHFFFAOYSA-N 1 3 370.519 0.259 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797894 490952382 /nfs/dbraw/zinc/95/23/82/490952382.db2.gz YGJZUMCIWSPKEF-DLBZAZTESA-N 1 3 363.506 0.737 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000531356911 490953628 /nfs/dbraw/zinc/95/36/28/490953628.db2.gz SCBZVRGDWYKHTE-OAHLLOKOSA-N 1 3 350.463 0.580 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565256387 491366340 /nfs/dbraw/zinc/36/63/40/491366340.db2.gz ZJURSNJBKHCQBO-BZUAXINKSA-N 1 3 365.522 0.840 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565256387 491366342 /nfs/dbraw/zinc/36/63/42/491366342.db2.gz ZJURSNJBKHCQBO-BZUAXINKSA-N 1 3 365.522 0.840 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000531935304 490981275 /nfs/dbraw/zinc/98/12/75/490981275.db2.gz YUEHXSPKPGCUAC-QZTJIDSGSA-N 1 3 369.554 0.765 20 0 FCADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)COC1CCOCC1 ZINC000569568173 491169087 /nfs/dbraw/zinc/16/90/87/491169087.db2.gz GLLHXLMYRMUNMC-NZSAHSFTSA-N 1 3 356.507 0.900 20 0 FCADHO O[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)COC1CCOCC1 ZINC000569568173 491169093 /nfs/dbraw/zinc/16/90/93/491169093.db2.gz GLLHXLMYRMUNMC-NZSAHSFTSA-N 1 3 356.507 0.900 20 0 FCADHO CN1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526663 491171778 /nfs/dbraw/zinc/17/17/78/491171778.db2.gz NSBXPFGTINEYTN-OAQYLSRUSA-N 1 3 374.529 0.766 20 0 FCADHO CN1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000562526663 491171781 /nfs/dbraw/zinc/17/17/81/491171781.db2.gz NSBXPFGTINEYTN-OAQYLSRUSA-N 1 3 374.529 0.766 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000572752158 491391262 /nfs/dbraw/zinc/39/12/62/491391262.db2.gz IZNIQHQHHUGVBU-UHFFFAOYSA-N 1 3 356.511 0.260 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCOCCN(C)C)CC1 ZINC000572752158 491391263 /nfs/dbraw/zinc/39/12/63/491391263.db2.gz IZNIQHQHHUGVBU-UHFFFAOYSA-N 1 3 356.511 0.260 20 0 FCADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000557952631 491406411 /nfs/dbraw/zinc/40/64/11/491406411.db2.gz CXMVVQKAXUFNFE-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070848 491410373 /nfs/dbraw/zinc/41/03/73/491410373.db2.gz ASXIDAGRMKGRPI-OCCSQVGLSA-N 1 3 350.467 1.384 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000558209456 491419396 /nfs/dbraw/zinc/41/93/96/491419396.db2.gz OHVUBKFLHKFVLH-ARFHVFGLSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000558209456 491419399 /nfs/dbraw/zinc/41/93/99/491419399.db2.gz OHVUBKFLHKFVLH-ARFHVFGLSA-N 1 3 354.495 0.202 20 0 FCADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+](C)C ZINC000573221455 491420224 /nfs/dbraw/zinc/42/02/24/491420224.db2.gz DCEFHOYGWUSCGT-IDCNUPLLSA-N 1 3 373.501 0.940 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNc3cnccn3)CC2)CC1 ZINC000573503145 491437426 /nfs/dbraw/zinc/43/74/26/491437426.db2.gz JJBHSWAPTOCONF-UHFFFAOYSA-N 1 3 360.506 1.201 20 0 FCADHO CCNC(=O)NCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566461099 491445487 /nfs/dbraw/zinc/44/54/87/491445487.db2.gz FNKKQSQWJNBOCC-UHFFFAOYSA-N 1 3 353.511 0.618 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512661 491450272 /nfs/dbraw/zinc/45/02/72/491450272.db2.gz NHIUZAAZISOZLG-ROUUACIJSA-N 1 3 371.485 0.736 20 0 FCADHO N[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000566615490 491456197 /nfs/dbraw/zinc/45/61/97/491456197.db2.gz MKLMWODTLKUUHB-QKLQHJQFSA-N 1 3 358.486 0.710 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000559410602 491470546 /nfs/dbraw/zinc/47/05/46/491470546.db2.gz AEDIPDNMLPBLBN-SFHVURJKSA-N 1 3 360.502 0.876 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000559462714 491475584 /nfs/dbraw/zinc/47/55/84/491475584.db2.gz KPAYOSIBXZDCKZ-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000574167815 491478633 /nfs/dbraw/zinc/47/86/33/491478633.db2.gz UWMNPFUAAKREGN-XMTFNYHQSA-N 1 3 351.539 0.947 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567098800 491485830 /nfs/dbraw/zinc/48/58/30/491485830.db2.gz CENZNVQCFMSELR-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000559615946 491486800 /nfs/dbraw/zinc/48/68/00/491486800.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 1 3 351.499 0.108 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(c2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000559615946 491486802 /nfs/dbraw/zinc/48/68/02/491486802.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 1 3 351.499 0.108 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000574326486 491489297 /nfs/dbraw/zinc/48/92/97/491489297.db2.gz CCPVVNVCZBBZES-GOSISDBHSA-N 1 3 374.533 0.589 20 0 FCADHO CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000559744775 491495037 /nfs/dbraw/zinc/49/50/37/491495037.db2.gz CNRUTNLCDYFDIM-QGZVFWFLSA-N 1 3 350.507 0.968 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H]1c1cccc(F)c1 ZINC000574637209 491510121 /nfs/dbraw/zinc/51/01/21/491510121.db2.gz TXAQGYJLFDTZNG-HRCADAONSA-N 1 3 358.421 0.736 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)n2)CC1 ZINC000560150991 491521211 /nfs/dbraw/zinc/52/12/11/491521211.db2.gz DMYMPWIPKVCCFM-LJQANCHMSA-N 1 3 374.489 0.643 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)n2)CC1 ZINC000560150991 491521213 /nfs/dbraw/zinc/52/12/13/491521213.db2.gz DMYMPWIPKVCCFM-LJQANCHMSA-N 1 3 374.489 0.643 20 0 FCADHO CN(C[C@H](O)C[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725659 491525182 /nfs/dbraw/zinc/52/51/82/491525182.db2.gz DKMQJRYGKYJTNS-QGZVFWFLSA-N 1 3 354.539 0.658 20 0 FCADHO CCn1ccnc1CN(C(=O)C[C@@H]1CNCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000567736040 491526047 /nfs/dbraw/zinc/52/60/47/491526047.db2.gz CCTQIIYIWIBMNF-CVEARBPZSA-N 1 3 361.490 0.752 20 0 FCADHO CCn1ccnc1CN(C(=O)C[C@H]1CNCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000567736041 491526058 /nfs/dbraw/zinc/52/60/58/491526058.db2.gz CCTQIIYIWIBMNF-HOTGVXAUSA-N 1 3 361.490 0.752 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038291 491535416 /nfs/dbraw/zinc/53/54/16/491535416.db2.gz LTEHPTVZIYHRGJ-QWHCGFSZSA-N 1 3 351.417 0.558 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cc(Cl)cn1C ZINC000560637404 491548194 /nfs/dbraw/zinc/54/81/94/491548194.db2.gz JDYWJEWCLDPSRS-UHFFFAOYSA-N 1 3 371.913 0.589 20 0 FCADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000568061212 491551150 /nfs/dbraw/zinc/55/11/50/491551150.db2.gz ONFODLPNCWEZRP-MRXNPFEDSA-N 1 3 358.486 0.748 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000568292321 491567533 /nfs/dbraw/zinc/56/75/33/491567533.db2.gz KFGHTBUBVBGASX-CQSZACIVSA-N 1 3 352.504 0.884 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000575933176 491571285 /nfs/dbraw/zinc/57/12/85/491571285.db2.gz FSSOPYAIAHQQFQ-QGZVFWFLSA-N 1 3 350.507 0.872 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000576015912 491576468 /nfs/dbraw/zinc/57/64/68/491576468.db2.gz FOMXRPGYELZSTB-TVFCKZIOSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@H]1[NH3+] ZINC000577085003 491588855 /nfs/dbraw/zinc/58/88/55/491588855.db2.gz QKHMMDBMPMHLGK-HUUCEWRRSA-N 1 3 368.547 0.660 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(F)c(F)c1 ZINC000584426788 491590390 /nfs/dbraw/zinc/59/03/90/491590390.db2.gz QSNBRSWKKDKFSV-UHFFFAOYSA-N 1 3 370.444 0.575 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000584520256 491599753 /nfs/dbraw/zinc/59/97/53/491599753.db2.gz LKKKHMAQMYSETJ-ZIAGYGMSSA-N 1 3 352.479 0.302 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000568857694 491613848 /nfs/dbraw/zinc/61/38/48/491613848.db2.gz MBNPZZQRODGNHU-FUHIMQAGSA-N 1 3 368.566 0.605 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1=CCN(C)CC1 ZINC000577554958 491632230 /nfs/dbraw/zinc/63/22/30/491632230.db2.gz NSMQUCCHWVKXKV-JKSUJKDBSA-N 1 3 366.506 0.370 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1=CCN(C)CC1 ZINC000577554958 491632231 /nfs/dbraw/zinc/63/22/31/491632231.db2.gz NSMQUCCHWVKXKV-JKSUJKDBSA-N 1 3 366.506 0.370 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798403 491653279 /nfs/dbraw/zinc/65/32/79/491653279.db2.gz PCGHDFSDBOKENK-YOEHRIQHSA-N 1 3 366.506 0.155 20 0 FCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576959179 491660124 /nfs/dbraw/zinc/66/01/24/491660124.db2.gz XWVBKCCKCLQDIA-BZUAXINKSA-N 1 3 351.495 0.594 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576959179 491660127 /nfs/dbraw/zinc/66/01/27/491660127.db2.gz XWVBKCCKCLQDIA-BZUAXINKSA-N 1 3 351.495 0.594 20 0 FCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576959180 491660358 /nfs/dbraw/zinc/66/03/58/491660358.db2.gz XWVBKCCKCLQDIA-OAGGEKHMSA-N 1 3 351.495 0.594 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576959180 491660359 /nfs/dbraw/zinc/66/03/59/491660359.db2.gz XWVBKCCKCLQDIA-OAGGEKHMSA-N 1 3 351.495 0.594 20 0 FCADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000576987027 491662983 /nfs/dbraw/zinc/66/29/83/491662983.db2.gz STJLCKNYAKUFIJ-OALUTQOASA-N 1 3 357.502 0.800 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000577955749 491665623 /nfs/dbraw/zinc/66/56/23/491665623.db2.gz GREGELHLQLWFTJ-SJLPKXTDSA-N 1 3 352.523 0.805 20 0 FCADHO [NH3+]CCCn1ccc2cc(C(=O)Nc3nc(N4CCNCC4)n[nH]3)ccc21 ZINC000578068509 491669055 /nfs/dbraw/zinc/66/90/55/491669055.db2.gz HBQGWZSCVBRXEJ-UHFFFAOYSA-N 1 3 368.445 0.770 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000578135031 491670745 /nfs/dbraw/zinc/67/07/45/491670745.db2.gz OCWSMVPUFNTORX-QGZVFWFLSA-N 1 3 363.510 0.363 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000578301045 491674112 /nfs/dbraw/zinc/67/41/12/491674112.db2.gz DOSTXOJECHXJLY-UHFFFAOYSA-N 1 3 372.473 0.967 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000579952820 491710726 /nfs/dbraw/zinc/71/07/26/491710726.db2.gz QWDONJWAUWJYGQ-CABCVRRESA-N 1 3 364.490 0.827 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000579956652 491711086 /nfs/dbraw/zinc/71/10/86/491711086.db2.gz PNOQBWLGDGCJFY-SFHVURJKSA-N 1 3 374.485 0.698 20 0 FCADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781704 491714302 /nfs/dbraw/zinc/71/43/02/491714302.db2.gz OOGLTJXPRGIBIX-IRXDYDNUSA-N 1 3 374.485 0.886 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584793678 491714877 /nfs/dbraw/zinc/71/48/77/491714877.db2.gz RLQLKXCOAZFZOH-DDBAPUKQSA-N 1 3 371.485 0.460 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584793678 491714878 /nfs/dbraw/zinc/71/48/78/491714878.db2.gz RLQLKXCOAZFZOH-DDBAPUKQSA-N 1 3 371.485 0.460 20 0 FCADHO Cc1cc(=O)n2nc(CN(C)CCCN(C)CC[NH+](C)C)sc2n1 ZINC000580240524 491722911 /nfs/dbraw/zinc/72/29/11/491722911.db2.gz OIINLKYXEYCQAC-UHFFFAOYSA-N 1 3 352.508 0.775 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301670 491724744 /nfs/dbraw/zinc/72/47/44/491724744.db2.gz HBLRNPNANDPXDN-CVEARBPZSA-N 1 3 366.506 0.012 20 0 FCADHO O=C(NCCN1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1 ZINC000580419860 491730469 /nfs/dbraw/zinc/73/04/69/491730469.db2.gz LVIORLGDJIFINE-UHFFFAOYSA-N 1 3 355.552 0.552 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000580548449 491735594 /nfs/dbraw/zinc/73/55/94/491735594.db2.gz XWXKTJSZFUAHGK-KRWDZBQOSA-N 1 3 362.474 0.154 20 0 FCADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000580812446 491746876 /nfs/dbraw/zinc/74/68/76/491746876.db2.gz WTXNQNXATHYUBB-VDGAXYAQSA-N 1 3 374.529 0.762 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000589220986 491757748 /nfs/dbraw/zinc/75/77/48/491757748.db2.gz WSCWMSWTLKJVMP-CVEARBPZSA-N 1 3 355.527 0.959 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000589220986 491757750 /nfs/dbraw/zinc/75/77/50/491757750.db2.gz WSCWMSWTLKJVMP-CVEARBPZSA-N 1 3 355.527 0.959 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000589220995 491757786 /nfs/dbraw/zinc/75/77/86/491757786.db2.gz WSCWMSWTLKJVMP-JKSUJKDBSA-N 1 3 355.527 0.959 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000589220995 491757788 /nfs/dbraw/zinc/75/77/88/491757788.db2.gz WSCWMSWTLKJVMP-JKSUJKDBSA-N 1 3 355.527 0.959 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000581261001 491766337 /nfs/dbraw/zinc/76/63/37/491766337.db2.gz HDHHRKPPNZPLGV-UHFFFAOYSA-N 1 3 350.463 0.093 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000581408455 491771885 /nfs/dbraw/zinc/77/18/85/491771885.db2.gz QTYNYNLLZYJONU-UHFFFAOYSA-N 1 3 369.554 0.547 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000581548342 491777286 /nfs/dbraw/zinc/77/72/86/491777286.db2.gz DNLKSHXWQBOGMF-KBPBESRZSA-N 1 3 350.463 0.485 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cn(CC[NH3+])nn1 ZINC000581619102 491780196 /nfs/dbraw/zinc/78/01/96/491780196.db2.gz YAMSZEPBXHVMEZ-UHFFFAOYSA-N 1 3 352.389 0.719 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(C)(C)N3CC[NH2+]CC3)C2)CC1 ZINC000581665987 491782037 /nfs/dbraw/zinc/78/20/37/491782037.db2.gz SIZSGTVAUPKYHW-KRWDZBQOSA-N 1 3 351.539 0.297 20 0 FCADHO COc1cccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000581940541 491791015 /nfs/dbraw/zinc/79/10/15/491791015.db2.gz OYYOJLRAAQWXHH-ZWKOTPCHSA-N 1 3 374.485 0.817 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028226 491794909 /nfs/dbraw/zinc/79/49/09/491794909.db2.gz GINCNLQPHIQTJN-IJEWVQPXSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028226 491794910 /nfs/dbraw/zinc/79/49/10/491794910.db2.gz GINCNLQPHIQTJN-IJEWVQPXSA-N 1 3 350.507 0.964 20 0 FCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582122838 491798715 /nfs/dbraw/zinc/79/87/15/491798715.db2.gz GOBRPKBXEBUKSA-DLBZAZTESA-N 1 3 374.485 0.488 20 0 FCADHO O=C(CCN1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000591448478 491806025 /nfs/dbraw/zinc/80/60/25/491806025.db2.gz IRWMGCYZCVVVSO-QGZVFWFLSA-N 1 3 359.474 0.382 20 0 FCADHO NC[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424162 491811860 /nfs/dbraw/zinc/81/18/60/491811860.db2.gz XQPCMTDQQAXODS-SFHVURJKSA-N 1 3 364.465 0.914 20 0 FCADHO NC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000582424162 491811861 /nfs/dbraw/zinc/81/18/61/491811861.db2.gz XQPCMTDQQAXODS-SFHVURJKSA-N 1 3 364.465 0.914 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000582653475 491821391 /nfs/dbraw/zinc/82/13/91/491821391.db2.gz DUAVEXWNHJNBBA-HNNXBMFYSA-N 1 3 362.474 0.744 20 0 FCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000582846341 491829291 /nfs/dbraw/zinc/82/92/91/491829291.db2.gz JKSXHXJMWLDBCS-ROUUACIJSA-N 1 3 370.501 0.492 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCCO1 ZINC000583045812 491837006 /nfs/dbraw/zinc/83/70/06/491837006.db2.gz URRWPBRBRVXAHI-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CCCO1 ZINC000583045812 491837007 /nfs/dbraw/zinc/83/70/07/491837007.db2.gz URRWPBRBRVXAHI-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000583555158 491847315 /nfs/dbraw/zinc/84/73/15/491847315.db2.gz GKSAIMJQXRCMJN-APIJFGDWSA-N 1 3 352.479 0.301 20 0 FCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000583555158 491847316 /nfs/dbraw/zinc/84/73/16/491847316.db2.gz GKSAIMJQXRCMJN-APIJFGDWSA-N 1 3 352.479 0.301 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 ZINC000583624332 491848692 /nfs/dbraw/zinc/84/86/92/491848692.db2.gz JBTPHLVKVBDNLG-KRWDZBQOSA-N 1 3 363.462 0.869 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 ZINC000583624333 491848820 /nfs/dbraw/zinc/84/88/20/491848820.db2.gz JBTPHLVKVBDNLG-QGZVFWFLSA-N 1 3 363.462 0.869 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008467 491856539 /nfs/dbraw/zinc/85/65/39/491856539.db2.gz SRWKCQWRFQMCQY-QAPCUYQASA-N 1 3 370.563 0.921 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000584099141 491858346 /nfs/dbraw/zinc/85/83/46/491858346.db2.gz CNTNMBDVICTBHN-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000584099141 491858347 /nfs/dbraw/zinc/85/83/47/491858347.db2.gz CNTNMBDVICTBHN-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000584349041 491863621 /nfs/dbraw/zinc/86/36/21/491863621.db2.gz YYPLTPMSSWXXCL-PASDCYSWSA-N 1 3 353.507 0.728 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000611651036 491865670 /nfs/dbraw/zinc/86/56/70/491865670.db2.gz UASRGAVNSSLQAY-ZOBUZTSGSA-N 1 3 350.507 0.822 20 0 FCADHO CCN1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594885714 491871227 /nfs/dbraw/zinc/87/12/27/491871227.db2.gz DHCCJRXMAGNCRF-ZWKOTPCHSA-N 1 3 371.485 0.213 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000601369155 491909628 /nfs/dbraw/zinc/90/96/28/491909628.db2.gz CGOZEKZGASJBFP-GOSISDBHSA-N 1 3 372.579 0.902 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271356 491909747 /nfs/dbraw/zinc/90/97/47/491909747.db2.gz QTQIAFXXOVLZDZ-VVLHAWIVSA-N 1 3 357.458 0.086 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612444577 491918502 /nfs/dbraw/zinc/91/85/02/491918502.db2.gz NRFKEZJKGLGXJS-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612444577 491918505 /nfs/dbraw/zinc/91/85/05/491918505.db2.gz NRFKEZJKGLGXJS-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612485779 491924880 /nfs/dbraw/zinc/92/48/80/491924880.db2.gz JESZRHNLQIKZLT-QGZVFWFLSA-N 1 3 373.501 0.967 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612593144 491936226 /nfs/dbraw/zinc/93/62/26/491936226.db2.gz YBOQVZJTXLARAY-QGZVFWFLSA-N 1 3 366.506 0.300 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612595707 491936750 /nfs/dbraw/zinc/93/67/50/491936750.db2.gz KCWGLLMPZMMOBM-IRXDYDNUSA-N 1 3 366.506 0.299 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612598764 491937681 /nfs/dbraw/zinc/93/76/81/491937681.db2.gz IYOOSHXBEFOMOT-SJORKVTESA-N 1 3 366.506 0.345 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612772817 491949943 /nfs/dbraw/zinc/94/99/43/491949943.db2.gz JSOHFRXAPUKZIJ-QGZVFWFLSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612780002 491950274 /nfs/dbraw/zinc/95/02/74/491950274.db2.gz CJWDPRULDILPMY-QGZVFWFLSA-N 1 3 350.507 0.777 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896743 491959801 /nfs/dbraw/zinc/95/98/01/491959801.db2.gz WYCIKPJPXWRKRS-XUWVNRHRSA-N 1 3 353.463 0.369 20 0 FCADHO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633826 492125345 /nfs/dbraw/zinc/12/53/45/492125345.db2.gz WMWLPQNTXPGUQO-IAGOWNOFSA-N 1 3 355.527 0.278 20 0 FCADHO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633826 492125346 /nfs/dbraw/zinc/12/53/46/492125346.db2.gz WMWLPQNTXPGUQO-IAGOWNOFSA-N 1 3 355.527 0.278 20 0 FCADHO C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)CN1CCN(C)CC1 ZINC000608708516 492188563 /nfs/dbraw/zinc/18/85/63/492188563.db2.gz MYBZCCYIOHQMFW-QGZVFWFLSA-N 1 3 360.506 0.797 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000647594853 492331497 /nfs/dbraw/zinc/33/14/97/492331497.db2.gz SIRXSEBHMHCGBF-KSSFIOAISA-N 1 3 358.486 0.918 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642094916 492333703 /nfs/dbraw/zinc/33/37/03/492333703.db2.gz ROONYMSLJCJXOC-FGTMMUONSA-N 1 3 358.486 0.486 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000642439519 492357722 /nfs/dbraw/zinc/35/77/22/492357722.db2.gz KHYJSYKKVCRUTD-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000621153062 492359471 /nfs/dbraw/zinc/35/94/71/492359471.db2.gz JZUCXPCROOJFLN-GVDBMIGSSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000621153062 492359476 /nfs/dbraw/zinc/35/94/76/492359476.db2.gz JZUCXPCROOJFLN-GVDBMIGSSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642538008 492362856 /nfs/dbraw/zinc/36/28/56/492362856.db2.gz YOTMYZHEBAXKJD-NVXWUHKLSA-N 1 3 374.485 0.454 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000642722789 492380129 /nfs/dbraw/zinc/38/01/29/492380129.db2.gz BZHBVQSZPXNYMI-BRWVUGGUSA-N 1 3 368.522 0.434 20 0 FCADHO CC[C@H]1CN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937832 492385981 /nfs/dbraw/zinc/38/59/81/492385981.db2.gz CSUOZRICIRSFHW-SWLSCSKDSA-N 1 3 354.476 0.722 20 0 FCADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977445 492389859 /nfs/dbraw/zinc/38/98/59/492389859.db2.gz BJWBRCJGYCHMTN-ZWKOTPCHSA-N 1 3 362.518 0.779 20 0 FCADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977323 492390589 /nfs/dbraw/zinc/39/05/89/492390589.db2.gz AAABHPVMUQXVSN-CABCVRRESA-N 1 3 355.508 0.410 20 0 FCADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977117 492390603 /nfs/dbraw/zinc/39/06/03/492390603.db2.gz XYRXXKQNNADJPD-SJORKVTESA-N 1 3 350.507 0.827 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902298 492399134 /nfs/dbraw/zinc/39/91/34/492399134.db2.gz OYJYOMUMBGLMNP-ZWKOTPCHSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903938 492400260 /nfs/dbraw/zinc/40/02/60/492400260.db2.gz PCYIRVHOHAZRCS-OAHLLOKOSA-N 1 3 352.504 0.897 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000642958552 492406589 /nfs/dbraw/zinc/40/65/89/492406589.db2.gz NTZSJXBDDQVLSI-XHSDSOJGSA-N 1 3 366.506 0.693 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCNCC1 ZINC000648143670 492407085 /nfs/dbraw/zinc/40/70/85/492407085.db2.gz XONRHLWSIUXJGI-GJZGRUSLSA-N 1 3 357.520 0.391 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCNCC1 ZINC000648143672 492407110 /nfs/dbraw/zinc/40/71/10/492407110.db2.gz XONRHLWSIUXJGI-LSDHHAIUSA-N 1 3 357.520 0.391 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983099 492410887 /nfs/dbraw/zinc/41/08/87/492410887.db2.gz GFVFNOOGVIGECN-FUHWJXTLSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983099 492410890 /nfs/dbraw/zinc/41/08/90/492410890.db2.gz GFVFNOOGVIGECN-FUHWJXTLSA-N 1 3 356.470 0.849 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984284 492411399 /nfs/dbraw/zinc/41/13/99/492411399.db2.gz BXICLCQMLURPPB-KBAYOESNSA-N 1 3 358.486 0.976 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)Cc1ccccc1 ZINC000621838026 492421570 /nfs/dbraw/zinc/42/15/70/492421570.db2.gz WMHGSGJBEDWFSX-FUHIMQAGSA-N 1 3 358.486 0.615 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621841266 492423029 /nfs/dbraw/zinc/42/30/29/492423029.db2.gz SPQRWMWHBXAGLC-OXJNMPFZSA-N 1 3 374.485 0.583 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621840366 492423302 /nfs/dbraw/zinc/42/33/02/492423302.db2.gz HSGXAZJLCSWICN-OXQOHEQNSA-N 1 3 374.485 0.583 20 0 FCADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000621844883 492425287 /nfs/dbraw/zinc/42/52/87/492425287.db2.gz YTJKJMKYTVOFEA-GHTZIAJQSA-N 1 3 370.497 0.891 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635542789 492468018 /nfs/dbraw/zinc/46/80/18/492468018.db2.gz GPTZUBPCWVBEBD-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)CN1CCOCC1 ZINC000635562194 492472605 /nfs/dbraw/zinc/47/26/05/492472605.db2.gz XXEKNUGXQVJDEN-UHFFFAOYSA-N 1 3 354.539 0.829 20 0 FCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)CN1CCOCC1 ZINC000635562194 492472608 /nfs/dbraw/zinc/47/26/08/492472608.db2.gz XXEKNUGXQVJDEN-UHFFFAOYSA-N 1 3 354.539 0.829 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(C)(C)CN1CCOCC1 ZINC000635562194 492472612 /nfs/dbraw/zinc/47/26/12/492472612.db2.gz XXEKNUGXQVJDEN-UHFFFAOYSA-N 1 3 354.539 0.829 20 0 FCADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000643478942 492475276 /nfs/dbraw/zinc/47/52/76/492475276.db2.gz TWKLPLCKYYGLGT-GOSISDBHSA-N 1 3 371.485 0.721 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500565 492482626 /nfs/dbraw/zinc/48/26/26/492482626.db2.gz CDVDLVBYGGHLJP-ARFHVFGLSA-N 1 3 350.507 0.905 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000643531798 492490621 /nfs/dbraw/zinc/49/06/21/492490621.db2.gz LRCARXOKQHFKJE-JQHSSLGASA-N 1 3 374.485 0.294 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531823 492491313 /nfs/dbraw/zinc/49/13/13/492491313.db2.gz OQYXWPCJNYVKRG-MSOLQXFVSA-N 1 3 358.486 0.930 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531755 492491391 /nfs/dbraw/zinc/49/13/91/492491391.db2.gz GHAMHPKMZARPDJ-ROUUACIJSA-N 1 3 358.486 0.787 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000643531888 492491731 /nfs/dbraw/zinc/49/17/31/492491731.db2.gz SRSJXPYXDWVKOG-IPMKNSEASA-N 1 3 370.497 0.930 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000649365657 492548476 /nfs/dbraw/zinc/54/84/76/492548476.db2.gz IIZWZKYILXKMLE-VVLHAWIVSA-N 1 3 350.507 0.953 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)CC1 ZINC000643961700 492615288 /nfs/dbraw/zinc/61/52/88/492615288.db2.gz CZKXQUVCOQVVLG-KURKYZTESA-N 1 3 352.523 0.553 20 0 FCADHO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629581286 492656635 /nfs/dbraw/zinc/65/66/35/492656635.db2.gz UWORMYSRKWIMHO-JKSUJKDBSA-N 1 3 355.504 0.790 20 0 FCADHO CCN(CCN)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000629810994 492683686 /nfs/dbraw/zinc/68/36/86/492683686.db2.gz AHXRFPBACKCHDA-HXUWFJFHSA-N 1 3 358.486 0.918 20 0 FCADHO CCN(CCN)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000629810994 492683692 /nfs/dbraw/zinc/68/36/92/492683692.db2.gz AHXRFPBACKCHDA-HXUWFJFHSA-N 1 3 358.486 0.918 20 0 FCADHO COCCN1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651180717 492719068 /nfs/dbraw/zinc/71/90/68/492719068.db2.gz FFCDYXJZWVZVRW-MSOLQXFVSA-N 1 3 353.507 0.960 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000658118038 492840741 /nfs/dbraw/zinc/84/07/41/492840741.db2.gz BMVGRXNSIGNZKB-AWEZNQCLSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000658118038 492840744 /nfs/dbraw/zinc/84/07/44/492840744.db2.gz BMVGRXNSIGNZKB-AWEZNQCLSA-N 1 3 364.494 0.620 20 0 FCADHO CCCN(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000645305421 492890874 /nfs/dbraw/zinc/89/08/74/492890874.db2.gz RMDIQUGTMFBNCW-HZPDHXFCSA-N 1 3 353.511 0.700 20 0 FCADHO CCCN(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000645305421 492890879 /nfs/dbraw/zinc/89/08/79/492890879.db2.gz RMDIQUGTMFBNCW-HZPDHXFCSA-N 1 3 353.511 0.700 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658449873 492898133 /nfs/dbraw/zinc/89/81/33/492898133.db2.gz KMAQNUKJOLENTB-GOSISDBHSA-N 1 3 360.502 0.782 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658449873 492898136 /nfs/dbraw/zinc/89/81/36/492898136.db2.gz KMAQNUKJOLENTB-GOSISDBHSA-N 1 3 360.502 0.782 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000638080390 492900905 /nfs/dbraw/zinc/90/09/05/492900905.db2.gz VCQUJJKKFKTOOG-IBGZPJMESA-N 1 3 362.518 0.955 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000645419841 492904111 /nfs/dbraw/zinc/90/41/11/492904111.db2.gz UVCPEPCPIWUTAS-SFHVURJKSA-N 1 3 358.486 0.809 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000638123189 492910678 /nfs/dbraw/zinc/91/06/78/492910678.db2.gz PPQLALADRUACFT-GOSISDBHSA-N 1 3 373.501 0.697 20 0 FCADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348597 492912980 /nfs/dbraw/zinc/91/29/80/492912980.db2.gz JUXLDSGVPCFAOW-ARFHVFGLSA-N 1 3 363.524 0.161 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000652380216 492920382 /nfs/dbraw/zinc/92/03/82/492920382.db2.gz JQCUOWMHEBQWJW-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO [NH3+]C1(CC(=O)N2CC[C@@H]3OCCN[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226407 492923732 /nfs/dbraw/zinc/92/37/32/492923732.db2.gz ILFVTSKRWLYGSL-OALUTQOASA-N 1 3 372.513 0.959 20 0 FCADHO CC(C)O[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000652431331 492930933 /nfs/dbraw/zinc/93/09/33/492930933.db2.gz INYAMQBZKJIEOK-MRXNPFEDSA-N 1 3 356.511 0.354 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632113167 492932368 /nfs/dbraw/zinc/93/23/68/492932368.db2.gz SKPMJTKDVSSYRK-INIZCTEOSA-N 1 3 372.535 0.041 20 0 FCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000638349291 492939325 /nfs/dbraw/zinc/93/93/25/492939325.db2.gz ZWSRJSFYQFMVIG-XHSDSOJGSA-N 1 3 351.495 0.497 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652479659 492947471 /nfs/dbraw/zinc/94/74/71/492947471.db2.gz SRMNCTWPLHIFKC-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000652479659 492947473 /nfs/dbraw/zinc/94/74/73/492947473.db2.gz SRMNCTWPLHIFKC-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000652621862 492972177 /nfs/dbraw/zinc/97/21/77/492972177.db2.gz WXDJMTYEAZMEAP-HNNXBMFYSA-N 1 3 350.467 0.407 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000652623291 492972211 /nfs/dbraw/zinc/97/22/11/492972211.db2.gz FMHNNDWPWKUPFM-UHFFFAOYSA-N 1 3 362.478 0.375 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000652624241 492972683 /nfs/dbraw/zinc/97/26/83/492972683.db2.gz DQQITZHEWOPKGU-CABCVRRESA-N 1 3 362.478 0.231 20 0 FCADHO NS(=O)(=O)c1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000638748043 492974951 /nfs/dbraw/zinc/97/49/51/492974951.db2.gz GSCCGVFNIZROTF-IAGOWNOFSA-N 1 3 353.488 0.801 20 0 FCADHO CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC000638808818 492980349 /nfs/dbraw/zinc/98/03/49/492980349.db2.gz OJTICCMYBVNTKM-LVQVYYBASA-N 1 3 362.478 0.493 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000632369270 492984334 /nfs/dbraw/zinc/98/43/34/492984334.db2.gz NQRFYEGJESTHHO-HIFRSBDPSA-N 1 3 357.524 0.775 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)nn1 ZINC000638903704 492986050 /nfs/dbraw/zinc/98/60/50/492986050.db2.gz TZIZDJBEHBCNPI-KRWDZBQOSA-N 1 3 354.458 0.832 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)N(C)C1CC1 ZINC000652686263 492990358 /nfs/dbraw/zinc/99/03/58/492990358.db2.gz CNNULBDTUBYOBB-JYYAWHABSA-N 1 3 366.506 0.330 20 0 FCADHO CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000652704537 492995678 /nfs/dbraw/zinc/99/56/78/492995678.db2.gz MXWFGJDHRZFHRX-INIZCTEOSA-N 1 3 354.495 0.252 20 0 FCADHO CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000652704537 492995681 /nfs/dbraw/zinc/99/56/81/492995681.db2.gz MXWFGJDHRZFHRX-INIZCTEOSA-N 1 3 354.495 0.252 20 0 FCADHO CN1CCC[C@@H](N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003165 492999400 /nfs/dbraw/zinc/99/94/00/492999400.db2.gz VCVINLINPWAVDG-ZWKOTPCHSA-N 1 3 360.506 0.660 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@@H]1CN1CCCCC1 ZINC000627228177 493111424 /nfs/dbraw/zinc/11/14/24/493111424.db2.gz HZXNKAZRJWDNOR-IAGOWNOFSA-N 1 3 361.494 0.972 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000658944520 493114393 /nfs/dbraw/zinc/11/43/93/493114393.db2.gz GNTUMQXMGLERRW-MRXNPFEDSA-N 1 3 373.501 0.919 20 0 FCADHO NC[C@H]1c2ccccc2CCN1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627234657 493114468 /nfs/dbraw/zinc/11/44/68/493114468.db2.gz KCXPUCRKZCNETN-RDJZCZTQSA-N 1 3 355.446 0.580 20 0 FCADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000633105264 493127747 /nfs/dbraw/zinc/12/77/47/493127747.db2.gz AMMGMHHSPSIOOE-INDMIFKZSA-N 1 3 368.481 0.682 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627293457 493137811 /nfs/dbraw/zinc/13/78/11/493137811.db2.gz UHYKBAPSEHCULD-YPMHNXCESA-N 1 3 364.412 0.573 20 0 FCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659095309 493149741 /nfs/dbraw/zinc/14/97/41/493149741.db2.gz BOURKCSBZIYYTA-KGLIPLIRSA-N 1 3 359.474 0.825 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)c(C)c2)CC1 ZINC000659114225 493160581 /nfs/dbraw/zinc/16/05/81/493160581.db2.gz MFRSTNVTTCRJPC-OAHLLOKOSA-N 1 3 361.490 0.800 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659434314 493175725 /nfs/dbraw/zinc/17/57/25/493175725.db2.gz LCXCNWTXXIFBAL-BETUJISGSA-N 1 3 350.467 0.808 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659434314 493175729 /nfs/dbraw/zinc/17/57/29/493175729.db2.gz LCXCNWTXXIFBAL-BETUJISGSA-N 1 3 350.467 0.808 20 0 FCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659436817 493178094 /nfs/dbraw/zinc/17/80/94/493178094.db2.gz ZIENBEIYQGCWDS-CYBMUJFWSA-N 1 3 350.467 0.952 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659436817 493178098 /nfs/dbraw/zinc/17/80/98/493178098.db2.gz ZIENBEIYQGCWDS-CYBMUJFWSA-N 1 3 350.467 0.952 20 0 FCADHO COCC[NH2+]CCc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641229984 493186153 /nfs/dbraw/zinc/18/61/53/493186153.db2.gz NXFYTRHIIMVCBJ-IBGZPJMESA-N 1 3 359.474 0.694 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627389804 493196984 /nfs/dbraw/zinc/19/69/84/493196984.db2.gz QNQFFYGHWVBWCD-VXGBXAGGSA-N 1 3 352.401 0.430 20 0 FCADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581970 493216791 /nfs/dbraw/zinc/21/67/91/493216791.db2.gz BJBPFKBQNGDCNC-IAGOWNOFSA-N 1 3 352.454 0.885 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000672695130 493234561 /nfs/dbraw/zinc/23/45/61/493234561.db2.gz JKYVLQUKEFIAOL-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000672695130 493234566 /nfs/dbraw/zinc/23/45/66/493234566.db2.gz JKYVLQUKEFIAOL-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672696207 493234575 /nfs/dbraw/zinc/23/45/75/493234575.db2.gz JORRGWXBNRWFFE-MRXNPFEDSA-N 1 3 359.474 0.721 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000659674623 493245248 /nfs/dbraw/zinc/24/52/48/493245248.db2.gz NMEYHZUKELBSBJ-NJAFHUGGSA-N 1 3 360.502 0.861 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CCN([C@H]2CCOC2)CC1 ZINC000666978219 493245456 /nfs/dbraw/zinc/24/54/56/493245456.db2.gz UQQLUOHMTDNCPL-IRXDYDNUSA-N 1 3 354.495 0.386 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CCN([C@H]2CCOC2)CC1 ZINC000666978219 493245460 /nfs/dbraw/zinc/24/54/60/493245460.db2.gz UQQLUOHMTDNCPL-IRXDYDNUSA-N 1 3 354.495 0.386 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)CCCC1 ZINC000659703589 493263587 /nfs/dbraw/zinc/26/35/87/493263587.db2.gz AOLIWHVNQNBXKZ-UHFFFAOYSA-N 1 3 359.474 0.802 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000659723973 493272829 /nfs/dbraw/zinc/27/28/29/493272829.db2.gz PCYPCCOSPAFOQD-UHFFFAOYSA-N 1 3 359.474 0.407 20 0 FCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727163 493274576 /nfs/dbraw/zinc/27/45/76/493274576.db2.gz HSAHQAYDANFZJZ-ROUUACIJSA-N 1 3 373.501 0.653 20 0 FCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727161 493274617 /nfs/dbraw/zinc/27/46/17/493274617.db2.gz HSAHQAYDANFZJZ-MSOLQXFVSA-N 1 3 373.501 0.653 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659729357 493275969 /nfs/dbraw/zinc/27/59/69/493275969.db2.gz QZLQMFDPYXOBTA-LSDHHAIUSA-N 1 3 361.490 0.652 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659738173 493279961 /nfs/dbraw/zinc/27/99/61/493279961.db2.gz BCUKTJVFZYDITO-CVEARBPZSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659739288 493280381 /nfs/dbraw/zinc/28/03/81/493280381.db2.gz QHMSZYYUYLEBPA-NUEKZKHPSA-N 1 3 352.479 0.084 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659739286 493280487 /nfs/dbraw/zinc/28/04/87/493280487.db2.gz QHMSZYYUYLEBPA-CWRNSKLLSA-N 1 3 352.479 0.084 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000667402874 493282849 /nfs/dbraw/zinc/28/28/49/493282849.db2.gz OJBXONHUPBRNHV-CZUORRHYSA-N 1 3 364.446 0.140 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000667402875 493283024 /nfs/dbraw/zinc/28/30/24/493283024.db2.gz OJBXONHUPBRNHV-XJKSGUPXSA-N 1 3 364.446 0.140 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000682271970 493284327 /nfs/dbraw/zinc/28/43/27/493284327.db2.gz DMDWSIFOZNJPMK-CQSZACIVSA-N 1 3 350.467 0.374 20 0 FCADHO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000667559130 493289726 /nfs/dbraw/zinc/28/97/26/493289726.db2.gz CNIWUVWGKSAMNR-ZDUSSCGKSA-N 1 3 350.488 0.680 20 0 FCADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673116227 493291926 /nfs/dbraw/zinc/29/19/26/493291926.db2.gz BYSSYPOHOFOSRE-UHFFFAOYSA-N 1 3 364.494 0.718 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811306 493303048 /nfs/dbraw/zinc/30/30/48/493303048.db2.gz JHYZODKKZUIASQ-OAHLLOKOSA-N 1 3 365.526 0.845 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000667811306 493303051 /nfs/dbraw/zinc/30/30/51/493303051.db2.gz JHYZODKKZUIASQ-OAHLLOKOSA-N 1 3 365.526 0.845 20 0 FCADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000667820469 493304023 /nfs/dbraw/zinc/30/40/23/493304023.db2.gz PUVSEIUBWPQIDY-INIZCTEOSA-N 1 3 359.478 0.978 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000673268644 493309604 /nfs/dbraw/zinc/30/96/04/493309604.db2.gz JLPRWMCSZCNACY-SFHVURJKSA-N 1 3 373.501 0.967 20 0 FCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673428024 493327375 /nfs/dbraw/zinc/32/73/75/493327375.db2.gz SMRWLVDZNGHARL-GVDBMIGSSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673428024 493327377 /nfs/dbraw/zinc/32/73/77/493327377.db2.gz SMRWLVDZNGHARL-GVDBMIGSSA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)(CO)N1CCN(C/C=C/CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896577 493372752 /nfs/dbraw/zinc/37/27/52/493372752.db2.gz XKABHAFONVJRAI-AATRIKPKSA-N 1 3 368.566 0.320 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853372 493386959 /nfs/dbraw/zinc/38/69/59/493386959.db2.gz WPQRIXNIWSTPPT-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000660853372 493386960 /nfs/dbraw/zinc/38/69/60/493386960.db2.gz WPQRIXNIWSTPPT-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000661024889 493403527 /nfs/dbraw/zinc/40/35/27/493403527.db2.gz IEWQIQIKCUIBAW-KRWDZBQOSA-N 1 3 367.538 0.023 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000661024889 493403530 /nfs/dbraw/zinc/40/35/30/493403530.db2.gz IEWQIQIKCUIBAW-KRWDZBQOSA-N 1 3 367.538 0.023 20 0 FCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329505 493408936 /nfs/dbraw/zinc/40/89/36/493408936.db2.gz DAQKHQBJYRZDSV-INIZCTEOSA-N 1 3 367.538 0.565 20 0 FCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329505 493408938 /nfs/dbraw/zinc/40/89/38/493408938.db2.gz DAQKHQBJYRZDSV-INIZCTEOSA-N 1 3 367.538 0.565 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000661314078 493426773 /nfs/dbraw/zinc/42/67/73/493426773.db2.gz ZVAKDPGTVQTIJZ-KRWDZBQOSA-N 1 3 367.538 0.567 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000661314078 493426777 /nfs/dbraw/zinc/42/67/77/493426777.db2.gz ZVAKDPGTVQTIJZ-KRWDZBQOSA-N 1 3 367.538 0.567 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)CCO1 ZINC000669139232 493467098 /nfs/dbraw/zinc/46/70/98/493467098.db2.gz SGWZOEQMGKPLFU-RHSMWYFYSA-N 1 3 350.463 0.885 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290657 493503701 /nfs/dbraw/zinc/50/37/01/493503701.db2.gz HHTWHHZXLIKXJC-DJIMGWMZSA-N 1 3 350.507 0.810 20 0 FCADHO CC[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000669444054 493504595 /nfs/dbraw/zinc/50/45/95/493504595.db2.gz QBRYVTCKEFHOHG-BZUAXINKSA-N 1 3 353.511 0.698 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662296734 493504860 /nfs/dbraw/zinc/50/48/60/493504860.db2.gz MHZWFQDGGXEHOJ-KRWDZBQOSA-N 1 3 350.507 0.825 20 0 FCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2cccc3c2CCNC3)c1 ZINC000662402595 493513187 /nfs/dbraw/zinc/51/31/87/493513187.db2.gz LHFHCQJBNAMYKT-UHFFFAOYSA-N 1 3 374.466 0.822 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662659327 493530287 /nfs/dbraw/zinc/53/02/87/493530287.db2.gz SBKFJMHMMNBDCB-ZWKOTPCHSA-N 1 3 358.486 0.630 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662727374 493535526 /nfs/dbraw/zinc/53/55/26/493535526.db2.gz WMFABAPOYCHFNO-HNNXBMFYSA-N 1 3 364.412 0.587 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757709 493539296 /nfs/dbraw/zinc/53/92/96/493539296.db2.gz LRHNOMNDGGXYLU-HOTGVXAUSA-N 1 3 363.510 0.349 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676307223 493544530 /nfs/dbraw/zinc/54/45/30/493544530.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 1 3 369.554 0.763 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676307223 493544533 /nfs/dbraw/zinc/54/45/33/493544533.db2.gz OEDDUGUCHSCNSR-RCCFBDPRSA-N 1 3 369.554 0.763 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000662940327 493557379 /nfs/dbraw/zinc/55/73/79/493557379.db2.gz LUXSQIBTBWMXMY-UHFFFAOYSA-N 1 3 350.463 0.393 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670444835 493568570 /nfs/dbraw/zinc/56/85/70/493568570.db2.gz RXGVVNACVABUQY-PMPSAXMXSA-N 1 3 350.507 0.918 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000670444835 493568571 /nfs/dbraw/zinc/56/85/71/493568571.db2.gz RXGVVNACVABUQY-PMPSAXMXSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000670984504 493619536 /nfs/dbraw/zinc/61/95/36/493619536.db2.gz MYDYFULBNYEHSG-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCSC1 ZINC000671071099 493629175 /nfs/dbraw/zinc/62/91/75/493629175.db2.gz GRDBMJMOWJCACZ-GOSISDBHSA-N 1 3 370.563 0.778 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100307 493632743 /nfs/dbraw/zinc/63/27/43/493632743.db2.gz BJPUYIAHZWGCAT-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100307 493632745 /nfs/dbraw/zinc/63/27/45/493632745.db2.gz BJPUYIAHZWGCAT-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109921 493636626 /nfs/dbraw/zinc/63/66/26/493636626.db2.gz ZFFDTBJJHVVWJF-WBVHZDCISA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109921 493636627 /nfs/dbraw/zinc/63/66/27/493636627.db2.gz ZFFDTBJJHVVWJF-WBVHZDCISA-N 1 3 357.458 0.473 20 0 FCADHO C[C@H](CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)[NH+](C)C ZINC000665128264 493701438 /nfs/dbraw/zinc/70/14/38/493701438.db2.gz ODDHHAQPBVSZFP-MRXNPFEDSA-N 1 3 355.527 0.422 20 0 FCADHO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665639886 493729244 /nfs/dbraw/zinc/72/92/44/493729244.db2.gz HSGKNJGAQFJVIN-JKSUJKDBSA-N 1 3 355.527 0.959 20 0 FCADHO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665639886 493729245 /nfs/dbraw/zinc/72/92/45/493729245.db2.gz HSGKNJGAQFJVIN-JKSUJKDBSA-N 1 3 355.527 0.959 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304041 493751751 /nfs/dbraw/zinc/75/17/51/493751751.db2.gz FXTGUIHMWUGUQB-DLBZAZTESA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304041 493751753 /nfs/dbraw/zinc/75/17/53/493751753.db2.gz FXTGUIHMWUGUQB-DLBZAZTESA-N 1 3 350.507 0.681 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672305055 493752357 /nfs/dbraw/zinc/75/23/57/493752357.db2.gz YQBNNMMPAUUDOA-KRWDZBQOSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cn1 ZINC000666239302 493764169 /nfs/dbraw/zinc/76/41/69/493764169.db2.gz WQCJFUOOZFPIFM-MRXNPFEDSA-N 1 3 350.467 0.820 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000410945932 527891049 /nfs/dbraw/zinc/89/10/49/527891049.db2.gz ONPPYLUKEYESLN-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000410945932 527891057 /nfs/dbraw/zinc/89/10/57/527891057.db2.gz ONPPYLUKEYESLN-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410503272 528122929 /nfs/dbraw/zinc/12/29/29/528122929.db2.gz MJLGXVJWWVDIHH-IBGZPJMESA-N 1 3 368.522 0.357 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410503272 528122932 /nfs/dbraw/zinc/12/29/32/528122932.db2.gz MJLGXVJWWVDIHH-IBGZPJMESA-N 1 3 368.522 0.357 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419587905 535478304 /nfs/dbraw/zinc/47/83/04/535478304.db2.gz NWUGHCMWPULJHW-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419882759 535523798 /nfs/dbraw/zinc/52/37/98/535523798.db2.gz MKRKEKKGVZSPPK-LBPRGKRZSA-N 1 3 352.401 0.587 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397203 535669024 /nfs/dbraw/zinc/66/90/24/535669024.db2.gz UKBJGVGVCVTLQQ-MSOLQXFVSA-N 1 3 360.502 0.924 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415274781 535750924 /nfs/dbraw/zinc/75/09/24/535750924.db2.gz XQBOQLPGXKIJOK-OAHLLOKOSA-N 1 3 359.474 0.717 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419855585 535864272 /nfs/dbraw/zinc/86/42/72/535864272.db2.gz DCVXBDVCVMLYIP-INIZCTEOSA-N 1 3 350.438 0.569 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423362000 535867812 /nfs/dbraw/zinc/86/78/12/535867812.db2.gz HMGJSAIWJCXVLM-HUUCEWRRSA-N 1 3 364.515 0.706 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000419196424 535903821 /nfs/dbraw/zinc/90/38/21/535903821.db2.gz AYAPNBHBOYFYAV-LJQANCHMSA-N 1 3 362.474 0.441 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCSC1 ZINC000419592905 536140650 /nfs/dbraw/zinc/14/06/50/536140650.db2.gz XLBPSKXZORIYGJ-SFHVURJKSA-N 1 3 370.563 0.969 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000419191133 536368427 /nfs/dbraw/zinc/36/84/27/536368427.db2.gz NVVJNCRFLDEJDK-GOSISDBHSA-N 1 3 358.486 0.896 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000419657275 536368768 /nfs/dbraw/zinc/36/87/68/536368768.db2.gz JMZOQMXBPATUMD-KBAYOESNSA-N 1 3 358.486 0.976 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000419657271 536368777 /nfs/dbraw/zinc/36/87/77/536368777.db2.gz JMZOQMXBPATUMD-BPQIPLTHSA-N 1 3 358.486 0.976 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000419221464 536368961 /nfs/dbraw/zinc/36/89/61/536368961.db2.gz AQJSBOHGSHRUNE-KBAYOESNSA-N 1 3 358.486 0.834 20 0 FCADHO C[N@H+](CCN1CCN(c2ccccc2)CC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414700105 536372630 /nfs/dbraw/zinc/37/26/30/536372630.db2.gz KFVKULBHQZPCNG-IBGZPJMESA-N 1 3 373.545 0.938 20 0 FCADHO C[N@@H+](CCN1CCN(c2ccccc2)CC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414700105 536372632 /nfs/dbraw/zinc/37/26/32/536372632.db2.gz KFVKULBHQZPCNG-IBGZPJMESA-N 1 3 373.545 0.938 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419228832 536442657 /nfs/dbraw/zinc/44/26/57/536442657.db2.gz NDPMYNIWANDACC-KRWDZBQOSA-N 1 3 350.507 0.825 20 0 FCADHO COC[C@]1(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360270 536653580 /nfs/dbraw/zinc/65/35/80/536653580.db2.gz QIWMYIKSWQTVEY-FCEWJHQRSA-N 1 3 353.507 0.960 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419757550 536746101 /nfs/dbraw/zinc/74/61/01/536746101.db2.gz UQAQSDDUTYGJIH-CABCVRRESA-N 1 3 368.522 0.578 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423656336 536775601 /nfs/dbraw/zinc/77/56/01/536775601.db2.gz WSJKDOJHKFDEJP-QGZVFWFLSA-N 1 3 368.522 0.533 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423656336 536775609 /nfs/dbraw/zinc/77/56/09/536775609.db2.gz WSJKDOJHKFDEJP-QGZVFWFLSA-N 1 3 368.522 0.533 20 0 FCADHO COc1ccc2c(c1)C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)CO2 ZINC000453109382 536990822 /nfs/dbraw/zinc/99/08/22/536990822.db2.gz ALHLRLDTCDCMNB-SFHVURJKSA-N 1 3 363.502 0.978 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550385512 547084890 /nfs/dbraw/zinc/08/48/90/547084890.db2.gz HSLCKCHXGKUTMF-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550658345 547094755 /nfs/dbraw/zinc/09/47/55/547094755.db2.gz JWADJXPBASADIM-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000550838432 547109824 /nfs/dbraw/zinc/10/98/24/547109824.db2.gz HITIMYWZQRZKNN-YOEHRIQHSA-N 1 3 356.536 0.340 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000550838432 547109827 /nfs/dbraw/zinc/10/98/27/547109827.db2.gz HITIMYWZQRZKNN-YOEHRIQHSA-N 1 3 356.536 0.340 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H]1C ZINC000550840956 547111124 /nfs/dbraw/zinc/11/11/24/547111124.db2.gz XXBKAQOWWKWLKW-RLFYNMQTSA-N 1 3 370.563 0.871 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H]1C ZINC000550840956 547111130 /nfs/dbraw/zinc/11/11/30/547111130.db2.gz XXBKAQOWWKWLKW-RLFYNMQTSA-N 1 3 370.563 0.871 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@H]1C ZINC000550952352 547117030 /nfs/dbraw/zinc/11/70/30/547117030.db2.gz SALLWYHROGUBMU-CVEARBPZSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@H]1C ZINC000550952352 547117037 /nfs/dbraw/zinc/11/70/37/547117037.db2.gz SALLWYHROGUBMU-CVEARBPZSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000551210837 547134715 /nfs/dbraw/zinc/13/47/15/547134715.db2.gz ABDPSOSVZBVLAH-RHSMWYFYSA-N 1 3 356.536 0.340 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000551210837 547134719 /nfs/dbraw/zinc/13/47/19/547134719.db2.gz ABDPSOSVZBVLAH-RHSMWYFYSA-N 1 3 356.536 0.340 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(C)C ZINC000551215296 547135186 /nfs/dbraw/zinc/13/51/86/547135186.db2.gz JYUAVPIMTANRMA-QGZVFWFLSA-N 1 3 358.552 0.775 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216694 547135672 /nfs/dbraw/zinc/13/56/72/547135672.db2.gz ABTLKDJSVHEUOO-RDTXWAMCSA-N 1 3 368.547 0.673 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216694 547135678 /nfs/dbraw/zinc/13/56/78/547135678.db2.gz ABTLKDJSVHEUOO-RDTXWAMCSA-N 1 3 368.547 0.673 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551499698 547149963 /nfs/dbraw/zinc/14/99/63/547149963.db2.gz VWUIBRUBJBCXFA-QZWWFDLISA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551499698 547149968 /nfs/dbraw/zinc/14/99/68/547149968.db2.gz VWUIBRUBJBCXFA-QZWWFDLISA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000552289404 547198592 /nfs/dbraw/zinc/19/85/92/547198592.db2.gz XBOGSGCYJOLKSG-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)N1CCC(C)CC1 ZINC000552687196 547223574 /nfs/dbraw/zinc/22/35/74/547223574.db2.gz CENBWOJGINCQNZ-UXLLHSPISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552687196 547223580 /nfs/dbraw/zinc/22/35/80/547223580.db2.gz CENBWOJGINCQNZ-UXLLHSPISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N(C)C1CC1 ZINC000553367727 547273425 /nfs/dbraw/zinc/27/34/25/547273425.db2.gz YQZVVPKWJPFWKI-CABCVRRESA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N(C)C1CC1 ZINC000553367727 547273429 /nfs/dbraw/zinc/27/34/29/547273429.db2.gz YQZVVPKWJPFWKI-CABCVRRESA-N 1 3 354.495 0.202 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNC(=O)N(C)C)CC2)CC1 ZINC000553539184 547286662 /nfs/dbraw/zinc/28/66/62/547286662.db2.gz YRWJIXYUVVBURR-UHFFFAOYSA-N 1 3 353.511 0.570 20 0 FCADHO COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000553600705 547293448 /nfs/dbraw/zinc/29/34/48/547293448.db2.gz WDNYWUCRZJBLIY-QGZVFWFLSA-N 1 3 356.511 0.849 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000553686884 547300616 /nfs/dbraw/zinc/30/06/16/547300616.db2.gz JZEOZXPBSZROJF-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000553686884 547300620 /nfs/dbraw/zinc/30/06/20/547300620.db2.gz JZEOZXPBSZROJF-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000553704966 547302100 /nfs/dbraw/zinc/30/21/00/547302100.db2.gz LAWKHBLRBIXGNF-FLOBVVSRSA-N 1 3 352.479 0.986 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C1=CCN(C)CC1 ZINC000568802303 547317703 /nfs/dbraw/zinc/31/77/03/547317703.db2.gz LODBNMMAIKMHIM-CABCVRRESA-N 1 3 350.507 0.942 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356760 547337510 /nfs/dbraw/zinc/33/75/10/547337510.db2.gz WFSRYXHSJOVMKG-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356760 547337512 /nfs/dbraw/zinc/33/75/12/547337512.db2.gz WFSRYXHSJOVMKG-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000949943500 674416514 /nfs/dbraw/zinc/41/65/14/674416514.db2.gz CLULTJYWPLNWIV-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000949943500 674416515 /nfs/dbraw/zinc/41/65/15/674416515.db2.gz CLULTJYWPLNWIV-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000950390225 674426635 /nfs/dbraw/zinc/42/66/35/674426635.db2.gz QRLJCIKFLSASLV-MUIFIZLQSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000950390225 674426637 /nfs/dbraw/zinc/42/66/37/674426637.db2.gz QRLJCIKFLSASLV-MUIFIZLQSA-N 1 3 350.507 0.774 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882870 598530231 /nfs/dbraw/zinc/53/02/31/598530231.db2.gz USAOZUIWUSNSAN-KGLIPLIRSA-N 1 3 359.482 0.815 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882870 598530233 /nfs/dbraw/zinc/53/02/33/598530233.db2.gz USAOZUIWUSNSAN-KGLIPLIRSA-N 1 3 359.482 0.815 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000954408364 674496448 /nfs/dbraw/zinc/49/64/48/674496448.db2.gz BYUJKOSVMFBZKQ-GDBMZVCRSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000954408364 674496451 /nfs/dbraw/zinc/49/64/51/674496451.db2.gz BYUJKOSVMFBZKQ-GDBMZVCRSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000955339541 674511299 /nfs/dbraw/zinc/51/12/99/674511299.db2.gz JHSGVYUFGFLNMZ-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000955339541 674511300 /nfs/dbraw/zinc/51/13/00/674511300.db2.gz JHSGVYUFGFLNMZ-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCCN2CCCC2=O)C1 ZINC000969701251 663189864 /nfs/dbraw/zinc/18/98/64/663189864.db2.gz ULEMFLQNOWQRBT-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCCN2CCCC2=O)C1 ZINC000969701251 663189865 /nfs/dbraw/zinc/18/98/65/663189865.db2.gz ULEMFLQNOWQRBT-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC001022022487 663389057 /nfs/dbraw/zinc/38/90/57/663389057.db2.gz WSGMQBMIKOCDCA-YLFCFFPRSA-N 1 3 352.523 0.972 20 0 FCADHO COCCN1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891439224 663391337 /nfs/dbraw/zinc/39/13/37/663391337.db2.gz FZMSLANAEOLEMU-INIZCTEOSA-N 1 3 354.495 0.555 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891536036 663412326 /nfs/dbraw/zinc/41/23/26/663412326.db2.gz BJCSRGHVQYVFEX-XQQFMLRXSA-N 1 3 352.401 0.876 20 0 FCADHO COCCC1(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC[NH2+]CC1 ZINC000891604590 663418187 /nfs/dbraw/zinc/41/81/87/663418187.db2.gz ZCBRLJNDYCSYET-INIZCTEOSA-N 1 3 355.527 0.328 20 0 FCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892090090 663474957 /nfs/dbraw/zinc/47/49/57/663474957.db2.gz CMRFLJFHRMSDJT-CABCVRRESA-N 1 3 351.495 0.500 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000892336034 663574692 /nfs/dbraw/zinc/57/46/92/663574692.db2.gz YKNSQCPOSRGQBJ-IAGOWNOFSA-N 1 3 354.495 0.338 20 0 FCADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892865140 664150792 /nfs/dbraw/zinc/15/07/92/664150792.db2.gz GDSHLDNIVLUNES-YOEHRIQHSA-N 1 3 367.515 0.891 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000977796496 664424256 /nfs/dbraw/zinc/42/42/56/664424256.db2.gz CPZOYRJALDLXEE-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000977796496 664424261 /nfs/dbraw/zinc/42/42/61/664424261.db2.gz CPZOYRJALDLXEE-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000896455277 665085412 /nfs/dbraw/zinc/08/54/12/665085412.db2.gz MKDQFNMBMQAQRD-UHFFFAOYSA-N 1 3 351.491 0.668 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CO)C(=O)OC)CC2)CC1 ZINC000909591293 665162439 /nfs/dbraw/zinc/16/24/39/665162439.db2.gz WIKPORVCCZQSHT-SFHVURJKSA-N 1 3 355.479 0.223 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000728791456 665165716 /nfs/dbraw/zinc/16/57/16/665165716.db2.gz DHTIQFALBUINCM-UHFFFAOYSA-N 1 3 355.552 0.441 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000897488215 665293771 /nfs/dbraw/zinc/29/37/71/665293771.db2.gz YBAUOSFUXSKPSW-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000897488215 665293772 /nfs/dbraw/zinc/29/37/72/665293772.db2.gz YBAUOSFUXSKPSW-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCSC1 ZINC000911201107 666322760 /nfs/dbraw/zinc/32/27/60/666322760.db2.gz WMZJGZHHEOKHGI-RKVPGOIHSA-N 1 3 362.499 0.281 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911253841 666329950 /nfs/dbraw/zinc/32/99/50/666329950.db2.gz BIRQMFUSHSKAQE-CQSZACIVSA-N 1 3 354.495 0.189 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000911529218 666362263 /nfs/dbraw/zinc/36/22/63/666362263.db2.gz AIQSXZJWODDLEN-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@@]3(C)CO)CC2)CC1 ZINC000912658028 666465478 /nfs/dbraw/zinc/46/54/78/666465478.db2.gz NILFYIWEUIMKEO-MJGOQNOKSA-N 1 3 353.507 0.527 20 0 FCADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000912811522 666479212 /nfs/dbraw/zinc/47/92/12/666479212.db2.gz KLZZMVGYBLRYPA-BRWVUGGUSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000939880518 666530789 /nfs/dbraw/zinc/53/07/89/666530789.db2.gz PFRJTGYNZVANKL-DJIMGWMZSA-N 1 3 352.523 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000992400825 666636133 /nfs/dbraw/zinc/63/61/33/666636133.db2.gz NXJBCGYCNDWBRC-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000992400825 666636135 /nfs/dbraw/zinc/63/61/35/666636135.db2.gz NXJBCGYCNDWBRC-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=S)NC2CCN(C)CC2)CC1 ZINC000731490604 666822850 /nfs/dbraw/zinc/82/28/50/666822850.db2.gz OZJAQJWOHUJLCO-UHFFFAOYSA-N 1 3 355.552 0.487 20 0 FCADHO COCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091055 667669857 /nfs/dbraw/zinc/66/98/57/667669857.db2.gz JTDJDHJNGGVGSJ-KURKYZTESA-N 1 3 353.507 0.912 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760497548 667852001 /nfs/dbraw/zinc/85/20/01/667852001.db2.gz UGUYSECBGIFYNY-INIZCTEOSA-N 1 3 367.563 0.441 20 0 FCADHO O=S(=O)(NC1CCN(CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000923587424 667852542 /nfs/dbraw/zinc/85/25/42/667852542.db2.gz OCFRSCAWLZBCNQ-UHFFFAOYSA-N 1 3 352.504 0.433 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000793701410 668943152 /nfs/dbraw/zinc/94/31/52/668943152.db2.gz QDZIBTHXHOUCIN-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793713354 668944871 /nfs/dbraw/zinc/94/48/71/668944871.db2.gz ONRUQLSCKPEKGH-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO CSC1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH+](C)CC1 ZINC000811876805 669776736 /nfs/dbraw/zinc/77/67/36/669776736.db2.gz ZZVZHYXGRGVGRM-GJZGRUSLSA-N 1 3 356.536 0.976 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCOCC1 ZINC000849115684 671318856 /nfs/dbraw/zinc/31/88/56/671318856.db2.gz AXEYPQBXUNBLTP-INIZCTEOSA-N 1 3 353.511 0.466 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000852746658 671523132 /nfs/dbraw/zinc/52/31/32/671523132.db2.gz NWZOMPCWCHCLKL-OAHLLOKOSA-N 1 3 354.495 0.997 20 0 FCADHO CON(C)C(=O)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858189108 671751977 /nfs/dbraw/zinc/75/19/77/671751977.db2.gz FSZQECXIPVIVHP-CYBMUJFWSA-N 1 3 355.483 0.253 20 0 FCADHO CN1CCN(C[C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740725 675966050 /nfs/dbraw/zinc/96/60/50/675966050.db2.gz KJFKOOVYJJJMHD-QZTJIDSGSA-N 1 3 352.523 0.093 20 0 FCADHO COCCN1CCC(NC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC000864784018 672210363 /nfs/dbraw/zinc/21/03/63/672210363.db2.gz DBQFMKHDOMANCW-GOEBONIOSA-N 1 3 350.467 0.561 20 0 FCADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877015928 672993463 /nfs/dbraw/zinc/99/34/63/672993463.db2.gz GCLIJLIJWFOOGG-OAHLLOKOSA-N 1 3 354.520 0.697 20 0 FCADHO CN(C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560393 673462282 /nfs/dbraw/zinc/46/22/82/673462282.db2.gz WULPOIOTZSLCFG-GJZGRUSLSA-N 1 3 352.479 0.086 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000884576441 673463309 /nfs/dbraw/zinc/46/33/09/673463309.db2.gz HQECXTQQWFBQLS-OLZOCXBDSA-N 1 3 364.412 0.430 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612541 673465879 /nfs/dbraw/zinc/46/58/79/673465879.db2.gz NWDCEPATFIQTME-QZTJIDSGSA-N 1 3 368.547 0.532 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000884631480 673468108 /nfs/dbraw/zinc/46/81/08/673468108.db2.gz LRKOBSNBOPMSBH-UPJWGTAASA-N 1 3 362.396 0.183 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884786339 673482291 /nfs/dbraw/zinc/48/22/91/673482291.db2.gz OCTIWDCXWLFYAO-ZIAGYGMSSA-N 1 3 360.449 0.584 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967444 673494117 /nfs/dbraw/zinc/49/41/17/673494117.db2.gz FSPJWFZDDVTOQW-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000885275420 673511060 /nfs/dbraw/zinc/51/10/60/673511060.db2.gz FCSHOMGZZQYXIA-KBPBESRZSA-N 1 3 358.433 0.434 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926347995 673825408 /nfs/dbraw/zinc/82/54/08/673825408.db2.gz SRCMKJFYBBMIPZ-AWEZNQCLSA-N 1 3 352.504 0.836 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926347996 673825491 /nfs/dbraw/zinc/82/54/91/673825491.db2.gz SRCMKJFYBBMIPZ-CQSZACIVSA-N 1 3 352.504 0.836 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001007377600 675288564 /nfs/dbraw/zinc/28/85/64/675288564.db2.gz WXWOKUXXHGRQLC-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001007377600 675288566 /nfs/dbraw/zinc/28/85/66/675288566.db2.gz WXWOKUXXHGRQLC-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011209808 675377007 /nfs/dbraw/zinc/37/70/07/675377007.db2.gz RMTNFRWOECTARD-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011209808 675377011 /nfs/dbraw/zinc/37/70/11/675377011.db2.gz RMTNFRWOECTARD-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)N(C)C ZINC001019151696 675422056 /nfs/dbraw/zinc/42/20/56/675422056.db2.gz IDKPCWMSCGDHHO-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)N(C)C ZINC001019151696 675422057 /nfs/dbraw/zinc/42/20/57/675422057.db2.gz IDKPCWMSCGDHHO-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001772503059 1167729426 /nfs/dbraw/zinc/72/94/26/1167729426.db2.gz PMUFSADORQZEOM-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104289005 1169390388 /nfs/dbraw/zinc/39/03/88/1169390388.db2.gz BRHIHGYCWNJGDB-HZSPNIEDSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104291311 1169650847 /nfs/dbraw/zinc/65/08/47/1169650847.db2.gz LPXUNNBZZZHIPC-LSBZLQRGSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104294697 1169691104 /nfs/dbraw/zinc/69/11/04/1169691104.db2.gz XZRRNAPTIYTCLF-MGPQQGTHSA-N 1 3 367.494 0.128 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581474653 1170363933 /nfs/dbraw/zinc/36/39/33/1170363933.db2.gz BJAFIDOICGBIJO-INIZCTEOSA-N 1 3 362.474 0.867 20 0 FCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1OCC ZINC001691338182 1171144967 /nfs/dbraw/zinc/14/49/67/1171144967.db2.gz YBYJICRKZHCIAB-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691382405 1171242788 /nfs/dbraw/zinc/24/27/88/1171242788.db2.gz SOIQQCVYKLQPDN-IKGGRYGDSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691382405 1171242805 /nfs/dbraw/zinc/24/28/05/1171242805.db2.gz SOIQQCVYKLQPDN-IKGGRYGDSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022718200 1171807590 /nfs/dbraw/zinc/80/75/90/1171807590.db2.gz SNZVOERKFUGXBP-BPQIPLTHSA-N 1 3 362.518 0.872 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022842648 1172049638 /nfs/dbraw/zinc/04/96/38/1172049638.db2.gz XRNGBSFFNCYFCB-USXIJHARSA-N 1 3 357.458 0.353 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001022846127 1172054974 /nfs/dbraw/zinc/05/49/74/1172054974.db2.gz RBDYGADDTDNOOE-USXIJHARSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001022846127 1172054985 /nfs/dbraw/zinc/05/49/85/1172054985.db2.gz RBDYGADDTDNOOE-USXIJHARSA-N 1 3 359.474 0.886 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@@H+]1C ZINC001022845832 1172057249 /nfs/dbraw/zinc/05/72/49/1172057249.db2.gz CUXCNYBGMYAXPI-QBYUYEEZSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@H+]1C ZINC001022845832 1172057261 /nfs/dbraw/zinc/05/72/61/1172057261.db2.gz CUXCNYBGMYAXPI-QBYUYEEZSA-N 1 3 359.474 0.742 20 0 FCADHO COCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433407 1178839346 /nfs/dbraw/zinc/83/93/46/1178839346.db2.gz AZGXJAAJMNKTQH-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CC1 ZINC000972649980 1180188661 /nfs/dbraw/zinc/18/86/61/1180188661.db2.gz WNTXBZVSHSRCLP-KURKYZTESA-N 1 3 362.518 0.728 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)N(C)C ZINC000972665262 1180218229 /nfs/dbraw/zinc/21/82/29/1180218229.db2.gz PXFIHAVWCGOFCA-ZACQAIPSSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[n-]2)CC[N@@H+]1C ZINC001087257525 1180337705 /nfs/dbraw/zinc/33/77/05/1180337705.db2.gz XHNOSHGLVXHYFT-VNHYZAJKSA-N 1 3 363.462 0.265 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[n-]2)CC[N@H+]1C ZINC001087257525 1180337716 /nfs/dbraw/zinc/33/77/16/1180337716.db2.gz XHNOSHGLVXHYFT-VNHYZAJKSA-N 1 3 363.462 0.265 20 0 FCADHO CN(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC000972994501 1181865118 /nfs/dbraw/zinc/86/51/18/1181865118.db2.gz LKPCHNXEKQKPAM-KURKYZTESA-N 1 3 362.518 0.728 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892601437 1181914594 /nfs/dbraw/zinc/91/45/94/1181914594.db2.gz CRWWMNINMMSMOD-BJWYYQGGSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000892650818 1182003790 /nfs/dbraw/zinc/00/37/90/1182003790.db2.gz QZBWYAUQXIGXDX-IKGGRYGDSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000892650818 1182003796 /nfs/dbraw/zinc/00/37/96/1182003796.db2.gz QZBWYAUQXIGXDX-IKGGRYGDSA-N 1 3 365.522 0.807 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892788108 1182507138 /nfs/dbraw/zinc/50/71/38/1182507138.db2.gz BJLDWOVTFOJBGF-MSOLQXFVSA-N 1 3 373.501 0.730 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001104811903 1182933839 /nfs/dbraw/zinc/93/38/39/1182933839.db2.gz JFQLCAIDJKOZBN-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104938282 1183011618 /nfs/dbraw/zinc/01/16/18/1183011618.db2.gz RSXYPJODKRIRLB-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578244 1183349810 /nfs/dbraw/zinc/34/98/10/1183349810.db2.gz XRSOTTVDHMGNRL-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578244 1183349815 /nfs/dbraw/zinc/34/98/15/1183349815.db2.gz XRSOTTVDHMGNRL-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001211703005 1186597285 /nfs/dbraw/zinc/59/72/85/1186597285.db2.gz PGGPSKCKWHXGKO-RCCFBDPRSA-N 1 3 358.486 0.801 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001211703005 1186597289 /nfs/dbraw/zinc/59/72/89/1186597289.db2.gz PGGPSKCKWHXGKO-RCCFBDPRSA-N 1 3 358.486 0.801 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC)cn1 ZINC000893871303 1187519955 /nfs/dbraw/zinc/51/99/55/1187519955.db2.gz JJKVTRLNZOXNGK-HZPDHXFCSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cn1 ZINC000893871303 1187519958 /nfs/dbraw/zinc/51/99/58/1187519958.db2.gz JJKVTRLNZOXNGK-HZPDHXFCSA-N 1 3 359.474 0.730 20 0 FCADHO Cc1cc(CN2CC[C@H]3CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]3CC2)n(C)n1 ZINC001269992284 1187961462 /nfs/dbraw/zinc/96/14/62/1187961462.db2.gz FFGOYXWXXWNPOX-GASCZTMLSA-N 1 3 361.494 0.224 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033758 1188212938 /nfs/dbraw/zinc/21/29/38/1188212938.db2.gz HLACFYDTXWFAIX-IEBWSBKVSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033758 1188212942 /nfs/dbraw/zinc/21/29/42/1188212942.db2.gz HLACFYDTXWFAIX-IEBWSBKVSA-N 1 3 372.513 0.876 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000550377917 1188343511 /nfs/dbraw/zinc/34/35/11/1188343511.db2.gz ZQPUCKQMYRBEMS-KRWDZBQOSA-N 1 3 368.522 0.545 20 0 FCADHO Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)n1 ZINC001087908792 1189893665 /nfs/dbraw/zinc/89/36/65/1189893665.db2.gz NLFYLHMFBIOJSA-FGTMMUONSA-N 1 3 360.506 0.769 20 0 FCADHO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)n1 ZINC001087908792 1189893667 /nfs/dbraw/zinc/89/36/67/1189893667.db2.gz NLFYLHMFBIOJSA-FGTMMUONSA-N 1 3 360.506 0.769 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896748650 1190121108 /nfs/dbraw/zinc/12/11/08/1190121108.db2.gz KPDQJDYWUZNGGC-OKZBNKHCSA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896748650 1190121112 /nfs/dbraw/zinc/12/11/12/1190121112.db2.gz KPDQJDYWUZNGGC-OKZBNKHCSA-N 1 3 366.506 0.480 20 0 FCADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)C1=O ZINC001088026012 1190261198 /nfs/dbraw/zinc/26/11/98/1190261198.db2.gz NXIKLMTVJURFEY-IXDOHACOSA-N 1 3 360.502 0.626 20 0 FCADHO O=C(N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026399 1190261715 /nfs/dbraw/zinc/26/17/15/1190261715.db2.gz HZSGBILLYWOAAD-IKGGRYGDSA-N 1 3 360.502 0.674 20 0 FCADHO CN1CCC[C@@H](N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090316 1190538862 /nfs/dbraw/zinc/53/88/62/1190538862.db2.gz HNJUWBOQRCOTEE-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106664 1190594477 /nfs/dbraw/zinc/59/44/77/1190594477.db2.gz LPAAGTPGGOQEHV-KSZLIROESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)C1 ZINC001088106664 1190594483 /nfs/dbraw/zinc/59/44/83/1190594483.db2.gz LPAAGTPGGOQEHV-KSZLIROESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@](CNCC(N)=O)(c3ccccc3)C2)CC[N@@H+]1C ZINC001105425622 1190856415 /nfs/dbraw/zinc/85/64/15/1190856415.db2.gz RUJXEGPNEWAFAT-OYRIPWCXSA-N 1 3 358.486 0.618 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@](CNCC(N)=O)(c3ccccc3)C2)CC[N@H+]1C ZINC001105425622 1190856417 /nfs/dbraw/zinc/85/64/17/1190856417.db2.gz RUJXEGPNEWAFAT-OYRIPWCXSA-N 1 3 358.486 0.618 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986418825 1190984387 /nfs/dbraw/zinc/98/43/87/1190984387.db2.gz PAQOKMOUSSXZIZ-XHSDSOJGSA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC000986418825 1190984393 /nfs/dbraw/zinc/98/43/93/1190984393.db2.gz PAQOKMOUSSXZIZ-XHSDSOJGSA-N 1 3 359.474 0.601 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000550652283 1193725060 /nfs/dbraw/zinc/72/50/60/1193725060.db2.gz BOBCWNCUNIJWPU-INIZCTEOSA-N 1 3 368.522 0.452 20 0 FCADHO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])on1 ZINC001218501692 1224163632 /nfs/dbraw/zinc/16/36/32/1224163632.db2.gz SHHFUDARSODMNY-RCBQFDQVSA-N 1 3 365.478 0.478 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1CCN1C(=O)CNC1=O ZINC001088708354 1193827968 /nfs/dbraw/zinc/82/79/68/1193827968.db2.gz QFZCTIPTQFUZCI-DOMZBBRYSA-N 1 3 370.413 0.079 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CCN1CCN1CCNC1=O ZINC001088710331 1193833740 /nfs/dbraw/zinc/83/37/40/1193833740.db2.gz IRDJGAVPVSWKIA-CJNGLKHVSA-N 1 3 356.430 0.552 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@@H+]1CCN1CCNC1=O ZINC001088710331 1193833743 /nfs/dbraw/zinc/83/37/43/1193833743.db2.gz IRDJGAVPVSWKIA-CJNGLKHVSA-N 1 3 356.430 0.552 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@H+]1CCN1CCNC1=O ZINC001088710331 1193833746 /nfs/dbraw/zinc/83/37/46/1193833746.db2.gz IRDJGAVPVSWKIA-CJNGLKHVSA-N 1 3 356.430 0.552 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105641471 1193844829 /nfs/dbraw/zinc/84/48/29/1193844829.db2.gz BNWBHNABLJAJDX-ZLHSVIROSA-N 1 3 368.522 0.168 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105641471 1193844831 /nfs/dbraw/zinc/84/48/31/1193844831.db2.gz BNWBHNABLJAJDX-ZLHSVIROSA-N 1 3 368.522 0.168 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@@H]2O)n1 ZINC001083470451 1193867359 /nfs/dbraw/zinc/86/73/59/1193867359.db2.gz SSPBZTHVQMPEDJ-MSOLQXFVSA-N 1 3 363.506 0.800 20 0 FCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3ccc4c(n3)OCCO4)C2)C1=O ZINC001276790108 1224177698 /nfs/dbraw/zinc/17/76/98/1224177698.db2.gz WDPLBMYPZFRDCI-IBGZPJMESA-N 1 3 360.458 0.839 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CCn1cccn1 ZINC001088757359 1193892492 /nfs/dbraw/zinc/89/24/92/1193892492.db2.gz VAJAAKQIKVAGQO-AFRNSKEISA-N 1 3 359.474 0.325 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CCn1cccn1 ZINC001088757359 1193892493 /nfs/dbraw/zinc/89/24/93/1193892493.db2.gz VAJAAKQIKVAGQO-AFRNSKEISA-N 1 3 359.474 0.325 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC1=O ZINC000552351175 1193924623 /nfs/dbraw/zinc/92/46/23/1193924623.db2.gz RYSZLMWPJYVROZ-MRXNPFEDSA-N 1 3 366.506 0.156 20 0 FCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3ccc4c(n3)OCCO4)C2)C1=O ZINC001276790110 1224177978 /nfs/dbraw/zinc/17/79/78/1224177978.db2.gz WDPLBMYPZFRDCI-LJQANCHMSA-N 1 3 360.458 0.839 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@H]1C(C)C ZINC001105667314 1193930310 /nfs/dbraw/zinc/93/03/10/1193930310.db2.gz QIWWYKBDJBOOEE-RGCFKVTRSA-N 1 3 368.522 0.040 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@H]1C(C)C ZINC001105667314 1193930314 /nfs/dbraw/zinc/93/03/14/1193930314.db2.gz QIWWYKBDJBOOEE-RGCFKVTRSA-N 1 3 368.522 0.040 20 0 FCADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3CNCc4ccnn4C3)cn2)CC1 ZINC001218725600 1224205524 /nfs/dbraw/zinc/20/55/24/1224205524.db2.gz YOUNZONKSPYDBY-ZDUSSCGKSA-N 1 3 355.446 0.564 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723878 1224205634 /nfs/dbraw/zinc/20/56/34/1224205634.db2.gz GZVGLUXEAUGYRZ-SJCJKPOMSA-N 1 3 362.478 0.437 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001076177029 1194339660 /nfs/dbraw/zinc/33/96/60/1194339660.db2.gz GTOIGACPLJVKSR-XLAORIBOSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(CCN4CCCC4=O)C[C@H]32)CC[N@H+]1C ZINC001076177029 1194339663 /nfs/dbraw/zinc/33/96/63/1194339663.db2.gz GTOIGACPLJVKSR-XLAORIBOSA-N 1 3 362.518 0.872 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457520 1194497391 /nfs/dbraw/zinc/49/73/91/1194497391.db2.gz GYYPLFBVIAWSBM-BPQIPLTHSA-N 1 3 358.486 0.760 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457520 1194497401 /nfs/dbraw/zinc/49/74/01/1194497401.db2.gz GYYPLFBVIAWSBM-BPQIPLTHSA-N 1 3 358.486 0.760 20 0 FCADHO COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218929161 1224261659 /nfs/dbraw/zinc/26/16/59/1224261659.db2.gz AIGSCYQIRTZYFX-SNVBAGLBSA-N 1 3 361.377 0.247 20 0 FCADHO COC(=O)c1c2[nH]ncc2ccc1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218987847 1224278825 /nfs/dbraw/zinc/27/88/25/1224278825.db2.gz NROAUMVJRWZVOZ-GFCCVEGCSA-N 1 3 360.418 0.038 20 0 FCADHO C[NH+](C)C[C@H](O)CNC[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347244 1195582147 /nfs/dbraw/zinc/58/21/47/1195582147.db2.gz XKDTVJMBWKRKTO-MJGOQNOKSA-N 1 3 365.474 0.662 20 0 FCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029228 1195880151 /nfs/dbraw/zinc/88/01/51/1195880151.db2.gz LSXOLJJJNYPLTC-MJSCVDMRSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029228 1195880155 /nfs/dbraw/zinc/88/01/55/1195880155.db2.gz LSXOLJJJNYPLTC-MJSCVDMRSA-N 1 3 358.486 0.964 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911258022 1195927864 /nfs/dbraw/zinc/92/78/64/1195927864.db2.gz LRAAYDDRNLOWOZ-BRWVUGGUSA-N 1 3 358.486 0.964 20 0 FCADHO NC(=O)c1cc(Oc2cccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)c2)ccn1 ZINC001219072297 1224336534 /nfs/dbraw/zinc/33/65/34/1224336534.db2.gz NEZZQUIDQCCVOK-HNNXBMFYSA-N 1 3 367.409 0.720 20 0 FCADHO N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219090195 1224349924 /nfs/dbraw/zinc/34/99/24/1224349924.db2.gz LCZKJIYLYIEUER-NSHDSACASA-N 1 3 358.377 0.325 20 0 FCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1-n1ccnc1C(N)=[NH2+] ZINC001168409429 1196761239 /nfs/dbraw/zinc/76/12/39/1196761239.db2.gz BZPWSWAHEQBVJD-GFCCVEGCSA-N 1 3 374.445 0.657 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085217882 1197691909 /nfs/dbraw/zinc/69/19/09/1197691909.db2.gz WCINTYWHSDTJLV-BRWVUGGUSA-N 1 3 365.522 0.903 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033692 1197702517 /nfs/dbraw/zinc/70/25/17/1197702517.db2.gz SCLUNKYGLUOWSM-FCEWJHQRSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033692 1197702526 /nfs/dbraw/zinc/70/25/26/1197702526.db2.gz SCLUNKYGLUOWSM-FCEWJHQRSA-N 1 3 362.518 0.729 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106244508 1197776260 /nfs/dbraw/zinc/77/62/60/1197776260.db2.gz NPGYPMQOBVGRFG-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249562 1197781630 /nfs/dbraw/zinc/78/16/30/1197781630.db2.gz KVUIRQKMTCQTGZ-QGPMSJSTSA-N 1 3 368.522 0.163 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)N(C)C ZINC001106281758 1197824848 /nfs/dbraw/zinc/82/48/48/1197824848.db2.gz AZMGWFRWFNVJAI-CPUCHLNUSA-N 1 3 365.478 0.883 20 0 FCADHO O=C(Nc1ccc(O[C@@H]2CCNCC2(F)F)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219453698 1224475687 /nfs/dbraw/zinc/47/56/87/1224475687.db2.gz NNGRWCULOQVGMW-LSDHHAIUSA-N 1 3 366.412 0.810 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@H]1CCC3(CNC3)O1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501519 1224488890 /nfs/dbraw/zinc/48/88/90/1224488890.db2.gz VVLJYYATJIUKIU-KUHUBIRLSA-N 1 3 372.425 0.338 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1C[C@H](OC)CCN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503851 1224490250 /nfs/dbraw/zinc/49/02/50/1224490250.db2.gz OBGKAXNYVDCOSN-KOXAJKMWSA-N 1 3 374.441 0.584 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129370441 1199129982 /nfs/dbraw/zinc/12/99/82/1199129982.db2.gz UTEPHAPSPPZOTE-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCOC)C[C@@H]1n1ccnn1 ZINC001129370441 1199129986 /nfs/dbraw/zinc/12/99/86/1199129986.db2.gz UTEPHAPSPPZOTE-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007168 1200698796 /nfs/dbraw/zinc/69/87/96/1200698796.db2.gz KZHUMEULMDAISV-SQNIBIBYSA-N 1 3 368.522 0.593 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000786330040 1200834946 /nfs/dbraw/zinc/83/49/46/1200834946.db2.gz BCRWVKZLKLLAQR-IAGOWNOFSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910158 1201422534 /nfs/dbraw/zinc/42/25/34/1201422534.db2.gz GLGZJSZUQLRCTC-ZACQAIPSSA-N 1 3 366.510 0.777 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910509 1201423365 /nfs/dbraw/zinc/42/33/65/1201423365.db2.gz WNFONWOSIYWIJU-ZACQAIPSSA-N 1 3 366.510 0.775 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899755 1201433208 /nfs/dbraw/zinc/43/32/08/1201433208.db2.gz KJKIQVGKSGJVHI-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899755 1201433212 /nfs/dbraw/zinc/43/32/12/1201433212.db2.gz KJKIQVGKSGJVHI-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919036 1201441006 /nfs/dbraw/zinc/44/10/06/1201441006.db2.gz OSVUCZMHUHKTRU-OAGGEKHMSA-N 1 3 366.510 0.511 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130081403 1201492647 /nfs/dbraw/zinc/49/26/47/1201492647.db2.gz MPOQTFQYBWIBGU-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130081403 1201492651 /nfs/dbraw/zinc/49/26/51/1201492651.db2.gz MPOQTFQYBWIBGU-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130107143 1201501898 /nfs/dbraw/zinc/50/18/98/1201501898.db2.gz FWMAHGSKOZOULH-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130136980 1201514487 /nfs/dbraw/zinc/51/44/87/1201514487.db2.gz CHQQRGFGUVCYLR-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130136979 1201514776 /nfs/dbraw/zinc/51/47/76/1201514776.db2.gz CHQQRGFGUVCYLR-BBWFWOEESA-N 1 3 364.494 0.529 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130232195 1201557320 /nfs/dbraw/zinc/55/73/20/1201557320.db2.gz CFVWNTWWNYPOME-OFQRWUPVSA-N 1 3 366.510 0.879 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[n-]1 ZINC001130237868 1201560634 /nfs/dbraw/zinc/56/06/34/1201560634.db2.gz HITSRUSCWISRCH-ILXRZTDVSA-N 1 3 364.494 0.776 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[n-]1 ZINC001130237868 1201560636 /nfs/dbraw/zinc/56/06/36/1201560636.db2.gz HITSRUSCWISRCH-ILXRZTDVSA-N 1 3 364.494 0.776 20 0 FCADHO COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001130307709 1201582264 /nfs/dbraw/zinc/58/22/64/1201582264.db2.gz ZRTJTYHUNBBMHO-APWZRJJASA-N 1 3 368.522 0.448 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130719296 1202765568 /nfs/dbraw/zinc/76/55/68/1202765568.db2.gz IBMZGLYFSBDGMK-SOLBZPMBSA-N 1 3 363.506 0.682 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130733926 1202767989 /nfs/dbraw/zinc/76/79/89/1202767989.db2.gz AJCMYXFPJTUONW-CGTJXYLNSA-N 1 3 363.506 0.561 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001130736784 1202769488 /nfs/dbraw/zinc/76/94/88/1202769488.db2.gz OCYUNYSAJMCDFI-XYJFISCASA-N 1 3 363.506 0.681 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010472 1202844174 /nfs/dbraw/zinc/84/41/74/1202844174.db2.gz MSJIQNGBWSGOCV-BZUAXINKSA-N 1 3 363.506 0.823 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010470 1202844194 /nfs/dbraw/zinc/84/41/94/1202844194.db2.gz MSJIQNGBWSGOCV-ARFHVFGLSA-N 1 3 363.506 0.823 20 0 FCADHO CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464477 1202900151 /nfs/dbraw/zinc/90/01/51/1202900151.db2.gz SKPXDHVSYKMOKV-RYRKJORJSA-N 1 3 366.506 0.155 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001131517416 1202907736 /nfs/dbraw/zinc/90/77/36/1202907736.db2.gz PKNINXFGIDOUHI-NJAFHUGGSA-N 1 3 366.506 0.058 20 0 FCADHO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1)C(N)=O ZINC001131582830 1202918164 /nfs/dbraw/zinc/91/81/64/1202918164.db2.gz BPOILOYJSCTAMS-NUJGCVRESA-N 1 3 368.522 0.578 20 0 FCADHO O=C(CN1CCCC1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131604980 1202918752 /nfs/dbraw/zinc/91/87/52/1202918752.db2.gz QIUDEXQTVITPLW-MJGOQNOKSA-N 1 3 369.506 0.077 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001131597211 1202919685 /nfs/dbraw/zinc/91/96/85/1202919685.db2.gz QSGKMTIRGNBYPN-LESCRADOSA-N 1 3 368.522 0.448 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000817926203 1203126619 /nfs/dbraw/zinc/12/66/19/1203126619.db2.gz ADWPPJAUKUTMPI-GOSISDBHSA-N 1 3 360.502 0.817 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090881037 1203329397 /nfs/dbraw/zinc/32/93/97/1203329397.db2.gz WEMOHYWXWUGOPC-ZYSHUDEJSA-N 1 3 361.486 0.913 20 0 FCADHO O=C(NCCCCCCN1C(=O)C=CC1=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220127520 1224780286 /nfs/dbraw/zinc/78/02/86/1224780286.db2.gz YBHQSFVWGNKGGP-HNNXBMFYSA-N 1 3 362.474 0.462 20 0 FCADHO O=C(NCCCCCCN1C(=O)C=CC1=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220127520 1224780293 /nfs/dbraw/zinc/78/02/93/1224780293.db2.gz YBHQSFVWGNKGGP-HNNXBMFYSA-N 1 3 362.474 0.462 20 0 FCADHO [NH3+]C1CCN([C@@H](C(=O)NCc2ncn3c2CNCCC3)c2ccco2)CC1 ZINC001220312143 1224826227 /nfs/dbraw/zinc/82/62/27/1224826227.db2.gz YGDJCWHWRMPGBK-GOSISDBHSA-N 1 3 372.473 0.750 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000846143274 1204595984 /nfs/dbraw/zinc/59/59/84/1204595984.db2.gz DDDAPIPZGSNEAQ-SFFUCWETSA-N 1 3 366.506 0.778 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1C[NH2+]C[C@H]1O ZINC001220356473 1224841627 /nfs/dbraw/zinc/84/16/27/1224841627.db2.gz AGRCXIVMUUPHPG-YYIAUSFCSA-N 1 3 361.442 0.142 20 0 FCADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358018 1224842584 /nfs/dbraw/zinc/84/25/84/1224842584.db2.gz OGWKIQBPONOHOE-QAETUUGQSA-N 1 3 360.458 0.109 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1[NH2+]CC[C@H]1O ZINC001220357335 1224842704 /nfs/dbraw/zinc/84/27/04/1224842704.db2.gz KJHBANJKHOPUMZ-VQHPVUNQSA-N 1 3 361.442 0.285 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742685 1204838939 /nfs/dbraw/zinc/83/89/39/1204838939.db2.gz FRXZRWOTAAIPPT-BEFAXECRSA-N 1 3 363.506 0.276 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742685 1204838940 /nfs/dbraw/zinc/83/89/40/1204838940.db2.gz FRXZRWOTAAIPPT-BEFAXECRSA-N 1 3 363.506 0.276 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083497 1204970962 /nfs/dbraw/zinc/97/09/62/1204970962.db2.gz HVRLKKWXUXLCGL-ZMSDIMECSA-N 1 3 364.494 0.110 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083564 1204971507 /nfs/dbraw/zinc/97/15/07/1204971507.db2.gz KVHLMUUWBCNVLF-JFIYKMOQSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(C)ncn1 ZINC001087100974 1204996934 /nfs/dbraw/zinc/99/69/34/1204996934.db2.gz NJBPRUMPMAGQFD-LZLYRXPVSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(C)ncn1 ZINC001087100974 1204996951 /nfs/dbraw/zinc/99/69/51/1204996951.db2.gz NJBPRUMPMAGQFD-LZLYRXPVSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001087096696 1205004423 /nfs/dbraw/zinc/00/44/23/1205004423.db2.gz XTCRKHCRGHVYFR-LZLYRXPVSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001087096696 1205004427 /nfs/dbraw/zinc/00/44/27/1205004427.db2.gz XTCRKHCRGHVYFR-LZLYRXPVSA-N 1 3 363.506 0.715 20 0 FCADHO Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1=O ZINC001092051705 1205125648 /nfs/dbraw/zinc/12/56/48/1205125648.db2.gz JZXMBEJLDYBCAF-BEFAXECRSA-N 1 3 355.442 0.631 20 0 FCADHO Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1=O ZINC001092051705 1205125653 /nfs/dbraw/zinc/12/56/53/1205125653.db2.gz JZXMBEJLDYBCAF-BEFAXECRSA-N 1 3 355.442 0.631 20 0 FCADHO Cn1cc(-c2cc(CNC(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)ccn2)cn1 ZINC001220454454 1224878356 /nfs/dbraw/zinc/87/83/56/1224878356.db2.gz VYGQJCKVUOPUAF-MRXNPFEDSA-N 1 3 354.458 0.973 20 0 FCADHO Cn1cc(-c2cc(CNC(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)ccn2)cn1 ZINC001220454454 1224878359 /nfs/dbraw/zinc/87/83/59/1224878359.db2.gz VYGQJCKVUOPUAF-MRXNPFEDSA-N 1 3 354.458 0.973 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611311 1205319817 /nfs/dbraw/zinc/31/98/17/1205319817.db2.gz RAPISNJKRGNKDR-NXHRZFHOSA-N 1 3 362.518 0.635 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220502030 1224895167 /nfs/dbraw/zinc/89/51/67/1224895167.db2.gz XRHPKOLWWRHFQL-GJZGRUSLSA-N 1 3 356.430 0.130 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120738 1206027223 /nfs/dbraw/zinc/02/72/23/1206027223.db2.gz LOAFZTQJIBRVFF-OLMNPRSZSA-N 1 3 362.518 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093281610 1206071605 /nfs/dbraw/zinc/07/16/05/1206071605.db2.gz SJTPBKJOJYGONC-IIAWOOMASA-N 1 3 364.490 0.350 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093281608 1206071750 /nfs/dbraw/zinc/07/17/50/1206071750.db2.gz SJTPBKJOJYGONC-FMKPAKJESA-N 1 3 364.490 0.350 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(n3cc(CNC[C@H]4CCOC4)nn3)C2)CC[N@@H+]1C ZINC001093322712 1206074958 /nfs/dbraw/zinc/07/49/58/1206074958.db2.gz QNZRHGMJTDERAP-CKEIUWERSA-N 1 3 362.478 0.128 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(n3cc(CNC[C@H]4CCOC4)nn3)C2)CC[N@H+]1C ZINC001093322712 1206074960 /nfs/dbraw/zinc/07/49/60/1206074960.db2.gz QNZRHGMJTDERAP-CKEIUWERSA-N 1 3 362.478 0.128 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CNCc1ccn(C)n1 ZINC001094136910 1206190760 /nfs/dbraw/zinc/19/07/60/1206190760.db2.gz CQQZHOVPAUCMHY-HZPDHXFCSA-N 1 3 363.506 0.715 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CNCc1nncn1C ZINC001094137616 1206191185 /nfs/dbraw/zinc/19/11/85/1206191185.db2.gz SOOQUFOXDCBENN-HUUCEWRRSA-N 1 3 364.494 0.110 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cn(CC2CC2)nn1 ZINC001094219149 1206202940 /nfs/dbraw/zinc/20/29/40/1206202940.db2.gz FQNKFNYQTSFQEQ-DJIMGWMZSA-N 1 3 360.506 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cn(CC2CC2)nn1 ZINC001094219149 1206202944 /nfs/dbraw/zinc/20/29/44/1206202944.db2.gz FQNKFNYQTSFQEQ-DJIMGWMZSA-N 1 3 360.506 0.824 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736274 1206364248 /nfs/dbraw/zinc/36/42/48/1206364248.db2.gz SIOKYLULNLKFAC-LUKYLMHMSA-N 1 3 368.522 0.448 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736274 1206364251 /nfs/dbraw/zinc/36/42/51/1206364251.db2.gz SIOKYLULNLKFAC-LUKYLMHMSA-N 1 3 368.522 0.448 20 0 FCADHO O=C(CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCN(C2CCCCC2)CC1 ZINC001182017908 1206419705 /nfs/dbraw/zinc/41/97/05/1206419705.db2.gz UTZFBHZWGYHNMO-GOSISDBHSA-N 1 3 362.518 0.921 20 0 FCADHO CC(=O)N1CC(NC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C1 ZINC001220599408 1224959312 /nfs/dbraw/zinc/95/93/12/1224959312.db2.gz WBISSKRQBBHCGY-WIYYLYMNSA-N 1 3 370.497 0.835 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189127328 1207509477 /nfs/dbraw/zinc/50/94/77/1207509477.db2.gz UKWNTENGGLAKGV-FRQCXROJSA-N 1 3 371.497 0.741 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189127328 1207509478 /nfs/dbraw/zinc/50/94/78/1207509478.db2.gz UKWNTENGGLAKGV-FRQCXROJSA-N 1 3 371.497 0.741 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001197319463 1208152800 /nfs/dbraw/zinc/15/28/00/1208152800.db2.gz IMPFRURECFWDON-KURKYZTESA-N 1 3 369.506 0.074 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC1CCC(O)CC1 ZINC001220758942 1225058698 /nfs/dbraw/zinc/05/86/98/1225058698.db2.gz NFSMFLWTYXPESV-GQGLESIBSA-N 1 3 368.522 0.491 20 0 FCADHO CCN(CC)CC(=O)N1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001273855888 1208434502 /nfs/dbraw/zinc/43/45/02/1208434502.db2.gz YDVLHZASFPFETH-IBGZPJMESA-N 1 3 367.538 0.073 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001489056296 1208616569 /nfs/dbraw/zinc/61/65/69/1208616569.db2.gz RIMLELFNZRFEKT-RDBSUJKOSA-N 1 3 355.483 0.128 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc(O)cc1F ZINC001220821436 1225087780 /nfs/dbraw/zinc/08/77/80/1225087780.db2.gz JXGPJSFOLPUDLY-HOTGVXAUSA-N 1 3 366.437 0.595 20 0 FCADHO N[C@H](C(=O)NCC1CCN(C(=O)c2cccnc2)CC1)C1CC[NH2+]CC1 ZINC001220928015 1225145513 /nfs/dbraw/zinc/14/55/13/1225145513.db2.gz DBQFLKLYRJFGGY-KRWDZBQOSA-N 1 3 359.474 0.377 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(C)c2)CC1 ZINC000861538578 1209870145 /nfs/dbraw/zinc/87/01/45/1209870145.db2.gz DCZDYHRXEJODIF-HNNXBMFYSA-N 1 3 361.490 0.881 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863750569 1209949425 /nfs/dbraw/zinc/94/94/25/1209949425.db2.gz QUYZIDZNIAJRDN-WBVHZDCISA-N 1 3 361.490 0.700 20 0 FCADHO O=C(NCc1cn(Cc2ccncc2)cn1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221025813 1225190992 /nfs/dbraw/zinc/19/09/92/1225190992.db2.gz ISBXOPYBOGHORS-QGZVFWFLSA-N 1 3 354.458 0.817 20 0 FCADHO O=C(NCc1cn(Cc2ccncc2)cn1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221025813 1225190995 /nfs/dbraw/zinc/19/09/95/1225190995.db2.gz ISBXOPYBOGHORS-QGZVFWFLSA-N 1 3 354.458 0.817 20 0 FCADHO CCC(CC)[C@@H](NC(=O)[C@H](N)C(C)(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070569 1225208647 /nfs/dbraw/zinc/20/86/47/1225208647.db2.gz XJBZHCZCUHRBPG-JTAWPXLSSA-N 1 3 371.522 0.778 20 0 FCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCCN1CCN(C)CC1 ZINC000876781201 1210430357 /nfs/dbraw/zinc/43/03/57/1210430357.db2.gz MFZBURPAZLKODU-QGZVFWFLSA-N 1 3 362.522 0.873 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000882483484 1210623484 /nfs/dbraw/zinc/62/34/84/1210623484.db2.gz BLCLFTLAUQWNIS-CALCHBBNSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@@H]2CC[N@H+]2CC)c1 ZINC000882483484 1210623486 /nfs/dbraw/zinc/62/34/86/1210623486.db2.gz BLCLFTLAUQWNIS-CALCHBBNSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000882483484 1210623489 /nfs/dbraw/zinc/62/34/89/1210623489.db2.gz BLCLFTLAUQWNIS-CALCHBBNSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CC[N@H+]2CC)c1 ZINC000882483484 1210623492 /nfs/dbraw/zinc/62/34/92/1210623492.db2.gz BLCLFTLAUQWNIS-CALCHBBNSA-N 1 3 359.474 0.730 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883423826 1210666481 /nfs/dbraw/zinc/66/64/81/1210666481.db2.gz WIHLYXJTCSYWQS-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883423826 1210666492 /nfs/dbraw/zinc/66/64/92/1210666492.db2.gz WIHLYXJTCSYWQS-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000884341476 1210731278 /nfs/dbraw/zinc/73/12/78/1210731278.db2.gz YNGRMLWQDIEREI-MRXNPFEDSA-N 1 3 358.446 0.812 20 0 FCADHO CCC1([NH+]2CCC2)CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000884475001 1210736961 /nfs/dbraw/zinc/73/69/61/1210736961.db2.gz UBLVSZDXOUDTGJ-UHFFFAOYSA-N 1 3 363.506 0.910 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000884508271 1210740986 /nfs/dbraw/zinc/74/09/86/1210740986.db2.gz ZGOMVJBTBPZZOF-OAHLLOKOSA-N 1 3 367.538 0.023 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884577327 1210756010 /nfs/dbraw/zinc/75/60/10/1210756010.db2.gz CJFNPLLLAOCSJD-RTBURBONSA-N 1 3 370.497 0.904 20 0 FCADHO [NH3+][C@@H](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)Cc1ccccc1 ZINC000884631519 1210767744 /nfs/dbraw/zinc/76/77/44/1210767744.db2.gz MZBDSBMWILXQBW-ROUUACIJSA-N 1 3 358.486 0.663 20 0 FCADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000884706107 1210785271 /nfs/dbraw/zinc/78/52/71/1210785271.db2.gz RXSGIONRZCLRJO-HOCLYGCPSA-N 1 3 368.522 0.842 20 0 FCADHO CCN(C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884778687 1210794275 /nfs/dbraw/zinc/79/42/75/1210794275.db2.gz DBNFOKBZPYODFN-SFHVURJKSA-N 1 3 373.501 0.620 20 0 FCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000884787210 1210796055 /nfs/dbraw/zinc/79/60/55/1210796055.db2.gz KLMXMPHNGWJIFW-JKSUJKDBSA-N 1 3 366.506 0.250 20 0 FCADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885156022 1210813419 /nfs/dbraw/zinc/81/34/19/1210813419.db2.gz JCTVUDCKOKRHDK-GOSISDBHSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000885156030 1210813582 /nfs/dbraw/zinc/81/35/82/1210813582.db2.gz JHMZDWSHNCUABA-RBUKOAKNSA-N 1 3 370.497 0.904 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885163033 1210814532 /nfs/dbraw/zinc/81/45/32/1210814532.db2.gz WWYUAVRLZGHWGZ-CRAIPNDOSA-N 1 3 358.486 0.617 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885163033 1210814533 /nfs/dbraw/zinc/81/45/33/1210814533.db2.gz WWYUAVRLZGHWGZ-CRAIPNDOSA-N 1 3 358.486 0.617 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090878 1210879028 /nfs/dbraw/zinc/87/90/28/1210879028.db2.gz LPHBOVDBNQCMGW-IRXDYDNUSA-N 1 3 362.518 0.920 20 0 FCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771193 1210949760 /nfs/dbraw/zinc/94/97/60/1210949760.db2.gz XYMWPIPASYHIJD-SFHLNBCPSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771193 1210949763 /nfs/dbraw/zinc/94/97/63/1210949763.db2.gz XYMWPIPASYHIJD-SFHLNBCPSA-N 1 3 373.497 0.681 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2CC1 ZINC001274419196 1211050056 /nfs/dbraw/zinc/05/00/56/1211050056.db2.gz QZSYSIQRQOTBIJ-KSZLIROESA-N 1 3 362.518 0.587 20 0 FCADHO CC(C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275064174 1211173318 /nfs/dbraw/zinc/17/33/18/1211173318.db2.gz OZLILWYYGBFVIJ-FQEVSTJZSA-N 1 3 366.550 0.831 20 0 FCADHO CC(C)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275064174 1211173321 /nfs/dbraw/zinc/17/33/21/1211173321.db2.gz OZLILWYYGBFVIJ-FQEVSTJZSA-N 1 3 366.550 0.831 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143005 1211179626 /nfs/dbraw/zinc/17/96/26/1211179626.db2.gz QLKNPXQSKTYUNN-QUCCMNQESA-N 1 3 364.534 0.585 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143005 1211179628 /nfs/dbraw/zinc/17/96/28/1211179628.db2.gz QLKNPXQSKTYUNN-QUCCMNQESA-N 1 3 364.534 0.585 20 0 FCADHO Cc1nn(C)c(C)c1CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275162483 1211186153 /nfs/dbraw/zinc/18/61/53/1211186153.db2.gz VGQVMZLBDXAUCD-LJQANCHMSA-N 1 3 361.490 0.940 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170313 1211187460 /nfs/dbraw/zinc/18/74/60/1211187460.db2.gz UCFSQMXGOJDDPO-LJQANCHMSA-N 1 3 360.506 0.472 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2=O)CC1 ZINC001275170313 1211187465 /nfs/dbraw/zinc/18/74/65/1211187465.db2.gz UCFSQMXGOJDDPO-LJQANCHMSA-N 1 3 360.506 0.472 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3ccc4n[nH]cc4c3)C2)OCC1=O ZINC001275867412 1211300605 /nfs/dbraw/zinc/30/06/05/1211300605.db2.gz KTWFYIXQXHGRAB-IBGZPJMESA-N 1 3 357.458 0.928 20 0 FCADHO Cn1cncc1CN1C[C@]2(CC[N@H+](C[C@H]3CCCN(C)C3)C2)OCC1=O ZINC001275879225 1211305677 /nfs/dbraw/zinc/30/56/77/1211305677.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@]2(CC[N@@H+](C[C@H]3CCCN(C)C3)C2)OCC1=O ZINC001275879225 1211305680 /nfs/dbraw/zinc/30/56/80/1211305680.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@]2(CCN(C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879225 1211305681 /nfs/dbraw/zinc/30/56/81/1211305681.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@]2(CCN(C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879225 1211305684 /nfs/dbraw/zinc/30/56/84/1211305684.db2.gz OWANIFIWHXOUQW-QFBILLFUSA-N 1 3 361.490 0.565 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1=O ZINC001095424590 1211333758 /nfs/dbraw/zinc/33/37/58/1211333758.db2.gz WHSIWRYDFOTKBE-XWSJACJDSA-N 1 3 370.497 0.949 20 0 FCADHO CNc1nccc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276057588 1211343937 /nfs/dbraw/zinc/34/39/37/1211343937.db2.gz XLBOVEUYNQNCKD-SFHVURJKSA-N 1 3 360.462 0.421 20 0 FCADHO CC[C@@H](CCC(=O)OC)C[N@@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269712 1211400328 /nfs/dbraw/zinc/40/03/28/1211400328.db2.gz OFUCCMPXVGDGOL-QFBILLFUSA-N 1 3 369.506 0.831 20 0 FCADHO CC[C@@H](CCC(=O)OC)C[N@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269712 1211400331 /nfs/dbraw/zinc/40/03/31/1211400331.db2.gz OFUCCMPXVGDGOL-QFBILLFUSA-N 1 3 369.506 0.831 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926315029 1211529819 /nfs/dbraw/zinc/52/98/19/1211529819.db2.gz GGRDQYJPSZINBA-MRXNPFEDSA-N 1 3 364.465 0.913 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[NH3+] ZINC001221348544 1225301302 /nfs/dbraw/zinc/30/13/02/1225301302.db2.gz JSHKXSBSSDWCJL-IRXDYDNUSA-N 1 3 364.490 0.648 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N[C@@H]3C[NH2+]CC[C@H]3F)cc(=O)oc2c1 ZINC001221365592 1225303098 /nfs/dbraw/zinc/30/30/98/1225303098.db2.gz FYGVWHICXIMHGQ-QLFBSQMISA-N 1 3 363.389 0.488 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001007479532 1212501144 /nfs/dbraw/zinc/50/11/44/1212501144.db2.gz LKBDOEDDZMSTSW-FTRWYGJKSA-N 1 3 362.518 0.920 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001007479532 1212501150 /nfs/dbraw/zinc/50/11/50/1212501150.db2.gz LKBDOEDDZMSTSW-FTRWYGJKSA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21)N(C)C ZINC000960568102 1213823729 /nfs/dbraw/zinc/82/37/29/1213823729.db2.gz BECDQRNFKJRLLA-TWMKSMIVSA-N 1 3 368.522 0.351 20 0 FCADHO CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21)N(C)C ZINC000960968106 1214042435 /nfs/dbraw/zinc/04/24/35/1214042435.db2.gz BECDQRNFKJRLLA-NXOAAHMSSA-N 1 3 368.522 0.351 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC001017488129 1214102412 /nfs/dbraw/zinc/10/24/12/1214102412.db2.gz BXLAHBURGCKDEY-ZTFGCOKTSA-N 1 3 362.518 0.942 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC001017488129 1214102418 /nfs/dbraw/zinc/10/24/18/1214102418.db2.gz BXLAHBURGCKDEY-ZTFGCOKTSA-N 1 3 362.518 0.942 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C2CC2)N(C)C)C3)CC[N@@H+]1C ZINC001019070143 1214190787 /nfs/dbraw/zinc/19/07/87/1214190787.db2.gz APWWYRHAVQARTA-OIISXLGYSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@H](C2CC2)N(C)C)C3)CC[N@H+]1C ZINC001019070143 1214190788 /nfs/dbraw/zinc/19/07/88/1214190788.db2.gz APWWYRHAVQARTA-OIISXLGYSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C4CC4)N(C)C)C3)C2)CC[N@@H+]1C ZINC001019108288 1214197557 /nfs/dbraw/zinc/19/75/57/1214197557.db2.gz LIVJUNWCDOBORZ-OIISXLGYSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@H](C4CC4)N(C)C)C3)C2)CC[N@H+]1C ZINC001019108288 1214197564 /nfs/dbraw/zinc/19/75/64/1214197564.db2.gz LIVJUNWCDOBORZ-OIISXLGYSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CN4CC[C@H](C)C4)C3)C2)CC[N@@H+]1C ZINC001019443323 1214242718 /nfs/dbraw/zinc/24/27/18/1214242718.db2.gz MKGVCCCZCFXNFZ-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CN4CC[C@H](C)C4)C3)C2)CC[N@H+]1C ZINC001019443323 1214242725 /nfs/dbraw/zinc/24/27/25/1214242725.db2.gz MKGVCCCZCFXNFZ-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961665608 1214261388 /nfs/dbraw/zinc/26/13/88/1214261388.db2.gz ZUJGOOZJUISDHT-SFFUCWETSA-N 1 3 364.534 0.830 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961665608 1214261394 /nfs/dbraw/zinc/26/13/94/1214261394.db2.gz ZUJGOOZJUISDHT-SFFUCWETSA-N 1 3 364.534 0.830 20 0 FCADHO CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950451 1225548472 /nfs/dbraw/zinc/54/84/72/1225548472.db2.gz IQSSMBIITSPPKS-FGTMMUONSA-N 1 3 371.522 0.131 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042575 1225587460 /nfs/dbraw/zinc/58/74/60/1225587460.db2.gz GLHUUEJFTAKNQI-GUDVDZBRSA-N 1 3 361.486 0.902 20 0 FCADHO CC[C@H](C)[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276850822 1225667980 /nfs/dbraw/zinc/66/79/80/1225667980.db2.gz GPLVNQCSCXIOOT-AZUAARDMSA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@H](C)[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276850822 1225667984 /nfs/dbraw/zinc/66/79/84/1225667984.db2.gz GPLVNQCSCXIOOT-AZUAARDMSA-N 1 3 366.550 0.973 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057854621 1216595718 /nfs/dbraw/zinc/59/57/18/1216595718.db2.gz OZYAPJILYTYDTD-BRWVUGGUSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057854621 1216595725 /nfs/dbraw/zinc/59/57/25/1216595725.db2.gz OZYAPJILYTYDTD-BRWVUGGUSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885198 1216765638 /nfs/dbraw/zinc/76/56/38/1216765638.db2.gz PRROJAIDMKYFTG-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885198 1216765642 /nfs/dbraw/zinc/76/56/42/1216765642.db2.gz PRROJAIDMKYFTG-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928998 1216849460 /nfs/dbraw/zinc/84/94/60/1216849460.db2.gz PQVMWRMLBCLZSU-KURKYZTESA-N 1 3 358.490 0.762 20 0 FCADHO C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCCN3CCN(C)CC3)C2)CC1 ZINC001276960096 1225769855 /nfs/dbraw/zinc/76/98/55/1225769855.db2.gz OQNGKMHEADMAOK-GOSISDBHSA-N 1 3 366.550 0.709 20 0 FCADHO CN1CCN(CCO[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001224552923 1225784120 /nfs/dbraw/zinc/78/41/20/1225784120.db2.gz UIFSNIVIGTYOJT-DLBZAZTESA-N 1 3 368.522 0.944 20 0 FCADHO CN1CCN(CCO[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001224552923 1225784123 /nfs/dbraw/zinc/78/41/23/1225784123.db2.gz UIFSNIVIGTYOJT-DLBZAZTESA-N 1 3 368.522 0.944 20 0 FCADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000900642535 1218016926 /nfs/dbraw/zinc/01/69/26/1218016926.db2.gz UUVWTPIAWOWRJA-UHFFFAOYSA-N 1 3 364.494 0.117 20 0 FCADHO CCOC(=O)[C@@H]1CCCN(CC(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000900701087 1218027514 /nfs/dbraw/zinc/02/75/14/1218027514.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 1 3 368.522 0.405 20 0 FCADHO CCOC(=O)[C@@H]1CCCN(CC(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000900701087 1218027518 /nfs/dbraw/zinc/02/75/18/1218027518.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 1 3 368.522 0.405 20 0 FCADHO CCOC(=O)[C@@H]1CCCN(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)C1 ZINC000900701087 1218027523 /nfs/dbraw/zinc/02/75/23/1218027523.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 1 3 368.522 0.405 20 0 FCADHO CCOC(=O)[C@@H]1CCCN(CC(=O)NCCC[N@H+]2CCCN(C)CC2)C1 ZINC000900701087 1218027526 /nfs/dbraw/zinc/02/75/26/1218027526.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 1 3 368.522 0.405 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226160035 1225834963 /nfs/dbraw/zinc/83/49/63/1225834963.db2.gz DJPSFWMIVJOGCH-KFWWJZLASA-N 1 3 367.494 0.332 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001097100661 1218689277 /nfs/dbraw/zinc/68/92/77/1218689277.db2.gz UVGLBSFBOJAJNM-FGTAOJJYSA-N 1 3 358.486 0.947 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001097100661 1218689278 /nfs/dbraw/zinc/68/92/78/1218689278.db2.gz UVGLBSFBOJAJNM-FGTAOJJYSA-N 1 3 358.486 0.947 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1=O ZINC001097774711 1218845029 /nfs/dbraw/zinc/84/50/29/1218845029.db2.gz FJQNLBYFACBFOH-KURKYZTESA-N 1 3 358.486 0.949 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001226766183 1225854302 /nfs/dbraw/zinc/85/43/02/1225854302.db2.gz IVSDXXSAMQCOOJ-RRFJBIMHSA-N 1 3 367.494 0.176 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001226766183 1225854303 /nfs/dbraw/zinc/85/43/03/1225854303.db2.gz IVSDXXSAMQCOOJ-RRFJBIMHSA-N 1 3 367.494 0.176 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001226801482 1225854792 /nfs/dbraw/zinc/85/47/92/1225854792.db2.gz YMGNOTQFFGESLY-JFIYKMOQSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001227057510 1225862354 /nfs/dbraw/zinc/86/23/54/1225862354.db2.gz SPCUIRQHZKSKPW-BRWVUGGUSA-N 1 3 368.522 0.639 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001227150540 1225864910 /nfs/dbraw/zinc/86/49/10/1225864910.db2.gz UBGFULACVHECBJ-IAGOWNOFSA-N 1 3 370.538 0.886 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000804053043 1219105944 /nfs/dbraw/zinc/10/59/44/1219105944.db2.gz IDFISEXNXPTOOC-ZACQAIPSSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000804059902 1219113107 /nfs/dbraw/zinc/11/31/07/1219113107.db2.gz ONKOTVHTCMTIMF-WCXIOVBPSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000804059902 1219113111 /nfs/dbraw/zinc/11/31/11/1219113111.db2.gz ONKOTVHTCMTIMF-WCXIOVBPSA-N 1 3 366.506 0.202 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000804059714 1219114496 /nfs/dbraw/zinc/11/44/96/1219114496.db2.gz JYZBCFNQMOUFFB-YESZJQIVSA-N 1 3 364.490 0.053 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000804062208 1219118110 /nfs/dbraw/zinc/11/81/10/1219118110.db2.gz DDXHBZTUVKRVLO-DLBZAZTESA-N 1 3 368.522 0.591 20 0 FCADHO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070095136 1219165672 /nfs/dbraw/zinc/16/56/72/1219165672.db2.gz XLRCMFQATHEROK-BBWFWOEESA-N 1 3 362.478 0.285 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001227614238 1225880239 /nfs/dbraw/zinc/88/02/39/1225880239.db2.gz UOESOVFFGBYVCS-ZRUZRRJWSA-N 1 3 364.490 0.003 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)C1 ZINC001070525920 1219453913 /nfs/dbraw/zinc/45/39/13/1219453913.db2.gz HHAAJNHDXDJORR-USXIJHARSA-N 1 3 367.469 0.383 20 0 FCADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)c1 ZINC001070720750 1219542647 /nfs/dbraw/zinc/54/26/47/1219542647.db2.gz GWKAHFWHXTWUBB-QZTJIDSGSA-N 1 3 371.485 0.672 20 0 FCADHO C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)Nc1ncccn1 ZINC001228365636 1225915878 /nfs/dbraw/zinc/91/58/78/1225915878.db2.gz GNVUEQFCWZYOPC-RBSFLKMASA-N 1 3 362.478 0.772 20 0 FCADHO COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478652 1220367800 /nfs/dbraw/zinc/36/78/00/1220367800.db2.gz YTGIDVMLRYKUKI-AOIWGVFYSA-N 1 3 371.522 0.131 20 0 FCADHO COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478652 1220367804 /nfs/dbraw/zinc/36/78/04/1220367804.db2.gz YTGIDVMLRYKUKI-AOIWGVFYSA-N 1 3 371.522 0.131 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)CC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982696 1220451620 /nfs/dbraw/zinc/45/16/20/1220451620.db2.gz DPPKVPKEBPEOGB-JOCBIADPSA-N 1 3 364.534 0.879 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)CC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101982696 1220451623 /nfs/dbraw/zinc/45/16/23/1220451623.db2.gz DPPKVPKEBPEOGB-JOCBIADPSA-N 1 3 364.534 0.879 20 0 FCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048900 1220477436 /nfs/dbraw/zinc/47/74/36/1220477436.db2.gz TZSGZOPPOAFEIZ-DDUZABMNSA-N 1 3 364.490 0.160 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048900 1220477439 /nfs/dbraw/zinc/47/74/39/1220477439.db2.gz TZSGZOPPOAFEIZ-DDUZABMNSA-N 1 3 364.490 0.160 20 0 FCADHO COCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295421 1220576936 /nfs/dbraw/zinc/57/69/36/1220576936.db2.gz JEBXKCLOJYCCGF-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375311 1220597757 /nfs/dbraw/zinc/59/77/57/1220597757.db2.gz BURSWFITENUTDZ-RBSFLKMASA-N 1 3 366.506 0.454 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375311 1220597763 /nfs/dbraw/zinc/59/77/63/1220597763.db2.gz BURSWFITENUTDZ-RBSFLKMASA-N 1 3 366.506 0.454 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497180 1220658139 /nfs/dbraw/zinc/65/81/39/1220658139.db2.gz FALHLNLAVFLUHQ-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102497180 1220658141 /nfs/dbraw/zinc/65/81/41/1220658141.db2.gz FALHLNLAVFLUHQ-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CCC(C)(C)NC(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511223 1220669865 /nfs/dbraw/zinc/66/98/65/1220669865.db2.gz NUVSEOHXEQLANN-HZPDHXFCSA-N 1 3 370.538 0.554 20 0 FCADHO CC(C)N1CC[C@H](N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102514363 1220673080 /nfs/dbraw/zinc/67/30/80/1220673080.db2.gz UXMCVMZBBCOIKU-ZACQAIPSSA-N 1 3 368.522 0.258 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001229215595 1225989380 /nfs/dbraw/zinc/98/93/80/1225989380.db2.gz YJOXEVMSYRXKSI-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC001229212905 1225989898 /nfs/dbraw/zinc/98/98/98/1225989898.db2.gz DUWQFZLWWORSDD-GVDBMIGSSA-N 1 3 370.538 0.886 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993704 1220817279 /nfs/dbraw/zinc/81/72/79/1220817279.db2.gz FORQEBHTALVTTO-NXHRZFHOSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087226 1220831176 /nfs/dbraw/zinc/83/11/76/1220831176.db2.gz CFYGGVXXGWTCDS-ZTFGCOKTSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087226 1220831178 /nfs/dbraw/zinc/83/11/78/1220831178.db2.gz CFYGGVXXGWTCDS-ZTFGCOKTSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185799 1220847812 /nfs/dbraw/zinc/84/78/12/1220847812.db2.gz QYFYFXKMYMFLIQ-HZPDHXFCSA-N 1 3 362.518 0.968 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103550356 1220899215 /nfs/dbraw/zinc/89/92/15/1220899215.db2.gz LWZLXIDSKHXLGG-KURKYZTESA-N 1 3 365.522 0.660 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103550356 1220899218 /nfs/dbraw/zinc/89/92/18/1220899218.db2.gz LWZLXIDSKHXLGG-KURKYZTESA-N 1 3 365.522 0.660 20 0 FCADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655833 1220931466 /nfs/dbraw/zinc/93/14/66/1220931466.db2.gz DLUKSOCWINUHFU-RBSFLKMASA-N 1 3 369.510 0.376 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103676908 1220934838 /nfs/dbraw/zinc/93/48/38/1220934838.db2.gz ACMWWVOPGLSBMC-UKRRQHHQSA-N 1 3 362.478 0.360 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103676908 1220934844 /nfs/dbraw/zinc/93/48/44/1220934844.db2.gz ACMWWVOPGLSBMC-UKRRQHHQSA-N 1 3 362.478 0.360 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001112396781 1221252279 /nfs/dbraw/zinc/25/22/79/1221252279.db2.gz DOCJURTWWKJMSX-KXBFYZLASA-N 1 3 362.518 0.968 20 0 FCADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001117849579 1221631321 /nfs/dbraw/zinc/63/13/21/1221631321.db2.gz YGSRFMLJGXOKEF-UHFFFAOYSA-N 1 3 369.554 0.271 20 0 FCADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001117849579 1221631324 /nfs/dbraw/zinc/63/13/24/1221631324.db2.gz YGSRFMLJGXOKEF-UHFFFAOYSA-N 1 3 369.554 0.271 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCN(C(C)(C)C)CC1)CC[NH+](C)C ZINC001117849579 1221631335 /nfs/dbraw/zinc/63/13/35/1221631335.db2.gz YGSRFMLJGXOKEF-UHFFFAOYSA-N 1 3 369.554 0.271 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)COC3CC[NH2+]CC3)c2)CC1 ZINC001118281574 1221750247 /nfs/dbraw/zinc/75/02/47/1221750247.db2.gz KPGLNKVOSZUXOG-UHFFFAOYSA-N 1 3 360.502 0.819 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC001118711938 1221822775 /nfs/dbraw/zinc/82/27/75/1221822775.db2.gz WNZFCJWLQARJGV-WMLDXEAASA-N 1 3 364.490 0.123 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC001118711938 1221822776 /nfs/dbraw/zinc/82/27/76/1221822776.db2.gz WNZFCJWLQARJGV-WMLDXEAASA-N 1 3 364.490 0.123 20 0 FCADHO Cc1n[nH]c(C)c1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001139095776 1222540917 /nfs/dbraw/zinc/54/09/17/1222540917.db2.gz BYTKUMCXWYOHDP-UHFFFAOYSA-N 1 3 362.522 0.697 20 0 FCADHO Cc1nc(N)ccc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001232339512 1226147486 /nfs/dbraw/zinc/14/74/86/1226147486.db2.gz YXRRVXZSCMAPPH-UHFFFAOYSA-N 1 3 374.533 0.642 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1C[NH+](C)C ZINC000839483693 1222741457 /nfs/dbraw/zinc/74/14/57/1222741457.db2.gz FIDQGPGAVRFBER-MSOLQXFVSA-N 1 3 374.485 0.975 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000841150573 1222810104 /nfs/dbraw/zinc/81/01/04/1222810104.db2.gz DPLLBHQEZYMFFP-UHFFFAOYSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841158950 1222811042 /nfs/dbraw/zinc/81/10/42/1222811042.db2.gz WPIQCMKKVQWCFJ-INIZCTEOSA-N 1 3 373.501 0.964 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000841200538 1222813371 /nfs/dbraw/zinc/81/33/71/1222813371.db2.gz OXLQVEINHNFITN-HZPDHXFCSA-N 1 3 373.501 0.963 20 0 FCADHO C[C@@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C[NH3+] ZINC000842478778 1222848030 /nfs/dbraw/zinc/84/80/30/1222848030.db2.gz PBXZVWMUUFHQSP-KGLIPLIRSA-N 1 3 365.478 0.579 20 0 FCADHO NC(=O)COc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000843057866 1222858347 /nfs/dbraw/zinc/85/83/47/1222858347.db2.gz NAALLSBNBJYCAJ-FUHWJXTLSA-N 1 3 374.485 0.631 20 0 FCADHO C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@H]4CNCCO4)n3)cn2)CC1 ZINC000843206686 1222860553 /nfs/dbraw/zinc/86/05/53/1222860553.db2.gz DIDMXGMZSDFVTE-HNNXBMFYSA-N 1 3 358.446 0.804 20 0 FCADHO C[N@H+]1CCCN(c2ccc(-c3noc(C[C@H]4CNCCO4)n3)cn2)CC1 ZINC000843206686 1222860556 /nfs/dbraw/zinc/86/05/56/1222860556.db2.gz DIDMXGMZSDFVTE-HNNXBMFYSA-N 1 3 358.446 0.804 20 0 FCADHO CN1CCN(CCC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001143223434 1222870830 /nfs/dbraw/zinc/87/08/30/1222870830.db2.gz CWGJHTGQBUTXGX-UHFFFAOYSA-N 1 3 366.550 0.975 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001153464881 1222976517 /nfs/dbraw/zinc/97/65/17/1222976517.db2.gz ZDQVGSXKZCLSHT-OWCLPIDISA-N 1 3 366.506 0.692 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001153464881 1222976522 /nfs/dbraw/zinc/97/65/22/1222976522.db2.gz ZDQVGSXKZCLSHT-OWCLPIDISA-N 1 3 366.506 0.692 20 0 FCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC)CC1 ZINC001157449136 1223076888 /nfs/dbraw/zinc/07/68/88/1223076888.db2.gz SUNWAYHJCGJYJQ-ZDUSSCGKSA-N 1 3 371.478 0.579 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935113 1223084199 /nfs/dbraw/zinc/08/41/99/1223084199.db2.gz RNGCLNCGFFVYSI-MPGHIAIKSA-N 1 3 372.485 0.147 20 0 FCADHO N[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC001158118550 1223089825 /nfs/dbraw/zinc/08/98/25/1223089825.db2.gz AGYNGWDUALHLPK-QJFYMDMMSA-N 1 3 372.513 0.468 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159793 1223090126 /nfs/dbraw/zinc/09/01/26/1223090126.db2.gz CFTJXGOASBSDGA-KSSFIOAISA-N 1 3 360.462 0.059 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)COC1(C)C ZINC001158335465 1223094901 /nfs/dbraw/zinc/09/49/01/1223094901.db2.gz UNJUGAYJJYOCHS-SJWGOKEGSA-N 1 3 372.469 0.395 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@H](C)C(=O)Nc2ncccn2)CC[N@@H+]1C ZINC001158404173 1223096922 /nfs/dbraw/zinc/09/69/22/1223096922.db2.gz RJXXFUHYEXSZSO-QLFBSQMISA-N 1 3 362.478 0.630 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@H](C)C(=O)Nc2ncccn2)CC[N@H+]1C ZINC001158404173 1223096925 /nfs/dbraw/zinc/09/69/25/1223096925.db2.gz RJXXFUHYEXSZSO-QLFBSQMISA-N 1 3 362.478 0.630 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001158905508 1223112735 /nfs/dbraw/zinc/11/27/35/1223112735.db2.gz XQMXHMIOIHXVQV-SLBVQIDZSA-N 1 3 361.446 0.092 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159210089 1223120797 /nfs/dbraw/zinc/12/07/97/1223120797.db2.gz CEEBYWOSACCDNL-BSDSXHPESA-N 1 3 362.474 0.813 20 0 FCADHO CC[C@@H]1N(C(=O)[C@@H](N)CCCC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159277430 1223122744 /nfs/dbraw/zinc/12/27/44/1223122744.db2.gz TXUPJFGCVFXGGO-BXWFABGCSA-N 1 3 368.522 0.851 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388387 1223125814 /nfs/dbraw/zinc/12/58/14/1223125814.db2.gz NPOQJRHHGQCQHW-HNNXBMFYSA-N 1 3 372.477 0.474 20 0 FCADHO O=C(N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159595309 1223130340 /nfs/dbraw/zinc/13/03/40/1223130340.db2.gz SGBGAQSTWAXGKQ-QTQZEZTPSA-N 1 3 368.481 0.982 20 0 FCADHO O=C(CNC1CC[NH2+]CC1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667139 1223132909 /nfs/dbraw/zinc/13/29/09/1223132909.db2.gz SUXGMRIIRUDJKO-RBUKOAKNSA-N 1 3 373.501 0.225 20 0 FCADHO C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001159695939 1223133773 /nfs/dbraw/zinc/13/37/73/1223133773.db2.gz HGFZZDMCEJDDOC-BBRMVZONSA-N 1 3 359.474 0.522 20 0 FCADHO N[C@H](C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1)C1CC[NH2+]CC1 ZINC001159696132 1223134222 /nfs/dbraw/zinc/13/42/22/1223134222.db2.gz COCFJEOSPFJJRR-ROUUACIJSA-N 1 3 370.497 0.836 20 0 FCADHO N[C@H](C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)C1CC[NH2+]CC1 ZINC001159699319 1223134617 /nfs/dbraw/zinc/13/46/17/1223134617.db2.gz OSGVMMCWSFLEFS-XZKMEQPCSA-N 1 3 374.485 0.793 20 0 FCADHO N[C@H](C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887478 1223138820 /nfs/dbraw/zinc/13/88/20/1223138820.db2.gz WEZJHYYRNTUCDY-HKUYNNGSSA-N 1 3 374.489 0.001 20 0 FCADHO N[C@@H](C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1)C1CC[NH2+]CC1 ZINC001160050650 1223143478 /nfs/dbraw/zinc/14/34/78/1223143478.db2.gz ZHLJLBLFEOXJLP-QWFCFKBJSA-N 1 3 374.485 0.400 20 0 FCADHO N[C@H](C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110616 1223146075 /nfs/dbraw/zinc/14/60/75/1223146075.db2.gz NODCASASTRJHIX-SJORKVTESA-N 1 3 371.485 0.373 20 0 FCADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001160694389 1223168666 /nfs/dbraw/zinc/16/86/66/1223168666.db2.gz AVKMHSWDPXYGOH-CVEARBPZSA-N 1 3 361.490 0.767 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)C1=O ZINC001160698488 1223168894 /nfs/dbraw/zinc/16/88/94/1223168894.db2.gz KSHHCGCNLYXZFP-INIZCTEOSA-N 1 3 356.470 0.994 20 0 FCADHO O=C([C@@H]1CNCc2ccnn2C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779712 1223171759 /nfs/dbraw/zinc/17/17/59/1223171759.db2.gz LAVIQTXZPPFCOS-MDYRTPRTSA-N 1 3 351.454 0.602 20 0 FCADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2 ZINC001160805477 1223174838 /nfs/dbraw/zinc/17/48/38/1223174838.db2.gz DDAVISANOGRJDH-AWEZNQCLSA-N 1 3 365.478 0.504 20 0 FCADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160824541 1223175777 /nfs/dbraw/zinc/17/57/77/1223175777.db2.gz OTQBOYUKOMQUTH-GFCCVEGCSA-N 1 3 362.430 0.610 20 0 FCADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160824541 1223175782 /nfs/dbraw/zinc/17/57/82/1223175782.db2.gz OTQBOYUKOMQUTH-GFCCVEGCSA-N 1 3 362.430 0.610 20 0 FCADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160825132 1223176206 /nfs/dbraw/zinc/17/62/06/1223176206.db2.gz VSFVUQHEYFSZPX-DZGCQCFKSA-N 1 3 361.446 0.273 20 0 FCADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160825132 1223176213 /nfs/dbraw/zinc/17/62/13/1223176213.db2.gz VSFVUQHEYFSZPX-DZGCQCFKSA-N 1 3 361.446 0.273 20 0 FCADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1c[nH]cn1)Cc1ccccc1 ZINC001160971970 1223182282 /nfs/dbraw/zinc/18/22/82/1223182282.db2.gz GCRNBGRFWOZADE-SFHVURJKSA-N 1 3 356.474 0.689 20 0 FCADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001160971970 1223182283 /nfs/dbraw/zinc/18/22/83/1223182283.db2.gz GCRNBGRFWOZADE-SFHVURJKSA-N 1 3 356.474 0.689 20 0 FCADHO O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161245002 1223192072 /nfs/dbraw/zinc/19/20/72/1223192072.db2.gz AHLHLEBFCGTCBQ-INIZCTEOSA-N 1 3 357.458 0.608 20 0 FCADHO O=C(NC1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1)c1cccc(F)c1 ZINC001161253108 1223192958 /nfs/dbraw/zinc/19/29/58/1223192958.db2.gz RTOYFUCWTUOZKB-MRXNPFEDSA-N 1 3 360.433 0.356 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321323 1223195649 /nfs/dbraw/zinc/19/56/49/1223195649.db2.gz CURFSBSGNWNHFC-JKQORVJESA-N 1 3 366.506 0.602 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC001161412111 1223198519 /nfs/dbraw/zinc/19/85/19/1223198519.db2.gz GCEMMXHCJDGIBE-UQCMEYCASA-N 1 3 371.437 0.867 20 0 FCADHO CN1CCC(NC(=O)c2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316123 1223229281 /nfs/dbraw/zinc/22/92/81/1223229281.db2.gz OPPZGNGERFEVNT-BEFAXECRSA-N 1 3 374.489 0.624 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CC[NH+](Cc3cnccc3N)CC2)C1 ZINC001209730966 1223644624 /nfs/dbraw/zinc/64/46/24/1223644624.db2.gz RZFMZPUJMRIQPK-UHFFFAOYSA-N 1 3 361.490 0.497 20 0 FCADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433206 1223691311 /nfs/dbraw/zinc/69/13/11/1223691311.db2.gz OQSGTUXUXVFASS-HUUCEWRRSA-N 1 3 367.494 0.097 20 0 FCADHO CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC001213863063 1223863808 /nfs/dbraw/zinc/86/38/08/1223863808.db2.gz BLSNEYBMTUQRFX-KZNAEPCWSA-N 1 3 371.522 0.443 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC001213863063 1223863811 /nfs/dbraw/zinc/86/38/11/1223863811.db2.gz BLSNEYBMTUQRFX-KZNAEPCWSA-N 1 3 371.522 0.443 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001214648467 1223929058 /nfs/dbraw/zinc/92/90/58/1223929058.db2.gz PDRRKADMWHWZBR-DJIMGWMZSA-N 1 3 364.534 0.927 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847637 1223948129 /nfs/dbraw/zinc/94/81/29/1223948129.db2.gz LZESBWOQOBHHCJ-MGPQQGTHSA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214861293 1223949225 /nfs/dbraw/zinc/94/92/25/1223949225.db2.gz PELCPTRVVCADPI-HYVNUMGLSA-N 1 3 366.506 0.202 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889348 1223952311 /nfs/dbraw/zinc/95/23/11/1223952311.db2.gz JKPCPPHZFFWSSL-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889348 1223952315 /nfs/dbraw/zinc/95/23/15/1223952315.db2.gz JKPCPPHZFFWSSL-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1)N(C)C ZINC001214950731 1223958631 /nfs/dbraw/zinc/95/86/31/1223958631.db2.gz WYFTWGGVJLVVKX-DJIMGWMZSA-N 1 3 361.490 0.475 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001214998092 1223962185 /nfs/dbraw/zinc/96/21/85/1223962185.db2.gz RDRIIZFNVZRYFM-OWCLPIDISA-N 1 3 368.522 0.137 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015151 1223964481 /nfs/dbraw/zinc/96/44/81/1223964481.db2.gz JKNZMRLQYNHQKE-NVXWUHKLSA-N 1 3 361.490 0.823 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215224191 1223983978 /nfs/dbraw/zinc/98/39/78/1223983978.db2.gz MDBZFQKYELLBPY-LSBZLQRGSA-N 1 3 362.518 0.824 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416293 1223998443 /nfs/dbraw/zinc/99/84/43/1223998443.db2.gz SOHFSXWGLFCGAL-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215989729 1224028665 /nfs/dbraw/zinc/02/86/65/1224028665.db2.gz KIZMJZSOBMLMCZ-IXDOHACOSA-N 1 3 370.538 0.696 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001216400900 1224048655 /nfs/dbraw/zinc/04/86/55/1224048655.db2.gz DVOZSYYYNMCKFY-IAGOWNOFSA-N 1 3 368.522 0.260 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCCC1 ZINC001216846707 1224078419 /nfs/dbraw/zinc/07/84/19/1224078419.db2.gz VDXXYGCWWAHLCT-FMKPAKJESA-N 1 3 367.494 0.128 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001216854259 1224079116 /nfs/dbraw/zinc/07/91/16/1224079116.db2.gz WCBKHHHEKMRPJG-ZIAGYGMSSA-N 1 3 367.494 0.094 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216981110 1224083368 /nfs/dbraw/zinc/08/33/68/1224083368.db2.gz VMCFJLMMNINKSL-HUUCEWRRSA-N 1 3 367.494 0.145 20 0 FCADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001277720059 1226172469 /nfs/dbraw/zinc/17/24/69/1226172469.db2.gz ULIZXEPYJFIXSB-NSHGMRRFSA-N 1 3 361.486 0.219 20 0 FCADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001277720059 1226172471 /nfs/dbraw/zinc/17/24/71/1226172471.db2.gz ULIZXEPYJFIXSB-NSHGMRRFSA-N 1 3 361.486 0.219 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994034488 1250159343 /nfs/dbraw/zinc/15/93/43/1250159343.db2.gz VFAIDAPVEUSKPH-FGTMMUONSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994034488 1250159356 /nfs/dbraw/zinc/15/93/56/1250159356.db2.gz VFAIDAPVEUSKPH-FGTMMUONSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 ZINC000849071672 1245391700 /nfs/dbraw/zinc/39/17/00/1245391700.db2.gz SQRHTWNLSHURDT-MRXNPFEDSA-N 1 3 360.510 0.006 20 0 FCADHO CN1CCN(CCCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891580289 1245456683 /nfs/dbraw/zinc/45/66/83/1245456683.db2.gz VZJHGKLBCRIMNY-QGZVFWFLSA-N 1 3 367.538 0.472 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517434 1245504995 /nfs/dbraw/zinc/50/49/95/1245504995.db2.gz JHMDIPCIDRNUIP-NRSFXHEJSA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517434 1245504999 /nfs/dbraw/zinc/50/49/99/1245504999.db2.gz JHMDIPCIDRNUIP-NRSFXHEJSA-N 1 3 356.470 0.670 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@@H+]1CCC[C@H](C)C1 ZINC000911518658 1245505713 /nfs/dbraw/zinc/50/57/13/1245505713.db2.gz ZRWAPVSPVMBYBD-MJSCVDMRSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@H+]1CCC[C@H](C)C1 ZINC000911518658 1245505719 /nfs/dbraw/zinc/50/57/19/1245505719.db2.gz ZRWAPVSPVMBYBD-MJSCVDMRSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000911518657 1245506298 /nfs/dbraw/zinc/50/62/98/1245506298.db2.gz ZRWAPVSPVMBYBD-LTCOOKNTSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@H+]1CCC[C@@H](C)C1 ZINC000911518657 1245506303 /nfs/dbraw/zinc/50/63/03/1245506303.db2.gz ZRWAPVSPVMBYBD-LTCOOKNTSA-N 1 3 358.486 0.964 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000911531554 1245508067 /nfs/dbraw/zinc/50/80/67/1245508067.db2.gz HWEJGWFFKXDBTQ-DLBZAZTESA-N 1 3 358.486 0.788 20 0 FCADHO CC[NH+]1CCC(N2CCCN(C(=O)NCCCc3nc[nH]n3)CC2)CC1 ZINC000923129021 1245698417 /nfs/dbraw/zinc/69/84/17/1245698417.db2.gz FPYOZRAUJGUBCT-UHFFFAOYSA-N 1 3 363.510 0.939 20 0 FCADHO CO[C@@H](C)c1noc(CN2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325237 1245709866 /nfs/dbraw/zinc/70/98/66/1245709866.db2.gz BJGIUHFPOOSNEZ-GJZGRUSLSA-N 1 3 365.478 0.663 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C[C@@H]4CCCOC4)C3)CC2)CC[N@@H+]1C ZINC000941414043 1246610368 /nfs/dbraw/zinc/61/03/68/1246610368.db2.gz LBEQLGXWGUXTAP-ZIFCJYIRSA-N 1 3 364.534 0.582 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C[C@@H]4CCCOC4)C3)CC2)CC[N@H+]1C ZINC000941414043 1246610373 /nfs/dbraw/zinc/61/03/73/1246610373.db2.gz LBEQLGXWGUXTAP-ZIFCJYIRSA-N 1 3 364.534 0.582 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000994219566 1250292415 /nfs/dbraw/zinc/29/24/15/1250292415.db2.gz QVVXVHMOUIJKRK-JFIYKMOQSA-N 1 3 364.534 0.881 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942549080 1247122199 /nfs/dbraw/zinc/12/21/99/1247122199.db2.gz FGGBCCVKMVUNDY-ZACQAIPSSA-N 1 3 368.522 0.256 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CCC1 ZINC000972737493 1248125201 /nfs/dbraw/zinc/12/52/01/1248125201.db2.gz DMYFFZPQXQKNPA-SJLPKXTDSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976611908 1248293635 /nfs/dbraw/zinc/29/36/35/1248293635.db2.gz YOIPYCYPBSVZDK-WMOPWKTHSA-N 1 3 362.518 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976611908 1248293647 /nfs/dbraw/zinc/29/36/47/1248293647.db2.gz YOIPYCYPBSVZDK-WMOPWKTHSA-N 1 3 362.518 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC000976611031 1248293868 /nfs/dbraw/zinc/29/38/68/1248293868.db2.gz SJRQKOXIXMCMBD-MNWMBMHPSA-N 1 3 364.534 0.876 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]32)CC[N@H+]1C ZINC000976611031 1248293881 /nfs/dbraw/zinc/29/38/81/1248293881.db2.gz SJRQKOXIXMCMBD-MNWMBMHPSA-N 1 3 364.534 0.876 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327984350 1265467633 /nfs/dbraw/zinc/46/76/33/1265467633.db2.gz KZBYUDFCWOVWQT-HDICACEKSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327984350 1265467637 /nfs/dbraw/zinc/46/76/37/1265467637.db2.gz KZBYUDFCWOVWQT-HDICACEKSA-N 1 3 366.506 0.792 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)CC[N@@H+]1C ZINC000977195963 1248567110 /nfs/dbraw/zinc/56/71/10/1248567110.db2.gz JYCXZJZNVVUKMO-WMOPWKTHSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)CC[N@H+]1C ZINC000977195963 1248567121 /nfs/dbraw/zinc/56/71/21/1248567121.db2.gz JYCXZJZNVVUKMO-WMOPWKTHSA-N 1 3 362.518 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994336837 1250384983 /nfs/dbraw/zinc/38/49/83/1250384983.db2.gz YBKQXANAPJSGFF-OIISXLGYSA-N 1 3 362.518 0.633 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001328235339 1265510524 /nfs/dbraw/zinc/51/05/24/1265510524.db2.gz XOUAONGLGVNULI-KRWDZBQOSA-N 1 3 364.490 0.099 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001518771854 1265679814 /nfs/dbraw/zinc/67/98/14/1265679814.db2.gz BUXLXCXHDXYCJR-YYIAUSFCSA-N 1 3 369.554 0.808 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001518771854 1265679820 /nfs/dbraw/zinc/67/98/20/1265679820.db2.gz BUXLXCXHDXYCJR-YYIAUSFCSA-N 1 3 369.554 0.808 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN[C@H]3CCN(C)C3=O)cc2)CC[N@@H+]1C ZINC001034818360 1254007429 /nfs/dbraw/zinc/00/74/29/1254007429.db2.gz GBBUGVPETXLWFU-OLMNPRSZSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN[C@H]3CCN(C)C3=O)cc2)CC[N@H+]1C ZINC001034818360 1254007436 /nfs/dbraw/zinc/00/74/36/1254007436.db2.gz GBBUGVPETXLWFU-OLMNPRSZSA-N 1 3 358.486 0.963 20 0 FCADHO CCCN(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967421 1254088612 /nfs/dbraw/zinc/08/86/12/1254088612.db2.gz RJGXNPWZCZXUNO-GPMSIDNRSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967421 1254088622 /nfs/dbraw/zinc/08/86/22/1254088622.db2.gz RJGXNPWZCZXUNO-GPMSIDNRSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CN(CC)CC)CC[N@@H+]1C ZINC001061605267 1254189206 /nfs/dbraw/zinc/18/92/06/1254189206.db2.gz RGFYSUXUAPCUEQ-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CN(CC)CC)CC[N@H+]1C ZINC001061605267 1254189219 /nfs/dbraw/zinc/18/92/19/1254189219.db2.gz RGFYSUXUAPCUEQ-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001065213035 1254496384 /nfs/dbraw/zinc/49/63/84/1254496384.db2.gz ZWUUPWCBVNDOAL-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001065213035 1254496387 /nfs/dbraw/zinc/49/63/87/1254496387.db2.gz ZWUUPWCBVNDOAL-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC001078403867 1255407672 /nfs/dbraw/zinc/40/76/72/1255407672.db2.gz KTNXIVPQFYOEOI-OWCLPIDISA-N 1 3 364.494 0.551 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC001078403867 1255407678 /nfs/dbraw/zinc/40/76/78/1255407678.db2.gz KTNXIVPQFYOEOI-OWCLPIDISA-N 1 3 364.494 0.551 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082742428 1257023346 /nfs/dbraw/zinc/02/33/46/1257023346.db2.gz FJCMGWCACSANFF-SPYBWZPUSA-N 1 3 368.497 0.868 20 0 FCADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NCc1cncn1C ZINC001082797892 1257057520 /nfs/dbraw/zinc/05/75/20/1257057520.db2.gz WNTMBZOKZOMGAT-RHSMWYFYSA-N 1 3 359.478 0.429 20 0 FCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083783160 1257529920 /nfs/dbraw/zinc/52/99/20/1257529920.db2.gz CNBOJKLSGRFKOE-QRQLOZEOSA-N 1 3 361.486 0.602 20 0 FCADHO Cn1nccc1CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347223 1258040470 /nfs/dbraw/zinc/04/04/70/1258040470.db2.gz KMRHITPACAQNNW-BHIYHBOVSA-N 1 3 357.502 0.837 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1)[NH+](C)C ZINC001085025373 1258528988 /nfs/dbraw/zinc/52/89/88/1258528988.db2.gz XBMQBUQQMVXDMF-IXDOHACOSA-N 1 3 365.522 0.521 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075200 1258569028 /nfs/dbraw/zinc/56/90/28/1258569028.db2.gz VDKOUWBANKBQHP-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075200 1258569031 /nfs/dbraw/zinc/56/90/31/1258569031.db2.gz VDKOUWBANKBQHP-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO Cc1nc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092926 1258588096 /nfs/dbraw/zinc/58/80/96/1258588096.db2.gz WEQHNQBQCVQNAB-KURKYZTESA-N 1 3 360.506 0.769 20 0 FCADHO Cc1nc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092926 1258588100 /nfs/dbraw/zinc/58/81/00/1258588100.db2.gz WEQHNQBQCVQNAB-KURKYZTESA-N 1 3 360.506 0.769 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106729349 1258948880 /nfs/dbraw/zinc/94/88/80/1258948880.db2.gz OJSSVWCHILMJTQ-KFWWJZLASA-N 1 3 367.494 0.128 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106784118 1258962678 /nfs/dbraw/zinc/96/26/78/1258962678.db2.gz BOLHOFXLFFVOIZ-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)on1 ZINC001107038740 1259022385 /nfs/dbraw/zinc/02/23/85/1259022385.db2.gz FQSCMTWDZPCTJW-UKRRQHHQSA-N 1 3 365.478 0.946 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001127644098 1259183512 /nfs/dbraw/zinc/18/35/12/1259183512.db2.gz UXDQXZOZPXDGEJ-MLGOLLRUSA-N 1 3 368.428 0.627 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001127644098 1259183517 /nfs/dbraw/zinc/18/35/17/1259183517.db2.gz UXDQXZOZPXDGEJ-MLGOLLRUSA-N 1 3 368.428 0.627 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3CC[C@@H]([NH3+])[C@@H](F)C3)cc(=O)oc2c1 ZINC001160649332 1259386424 /nfs/dbraw/zinc/38/64/24/1259386424.db2.gz IRVYIOBASHESCA-ZNMIVQPWSA-N 1 3 363.389 0.569 20 0 FCADHO CN1CCN(c2ccncc2C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001199356124 1259413663 /nfs/dbraw/zinc/41/36/63/1259413663.db2.gz CLICAEGYAAANQK-QGZVFWFLSA-N 1 3 373.501 0.770 20 0 FCADHO CC(C)N(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537149 1259416224 /nfs/dbraw/zinc/41/62/24/1259416224.db2.gz MIMTYANMMVVATL-BRWVUGGUSA-N 1 3 368.522 0.401 20 0 FCADHO CC(C)N(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537149 1259416229 /nfs/dbraw/zinc/41/62/29/1259416229.db2.gz MIMTYANMMVVATL-BRWVUGGUSA-N 1 3 368.522 0.401 20 0 FCADHO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C[C@H](N)Cc3ccccc3)C2)C1 ZINC001235518869 1259573517 /nfs/dbraw/zinc/57/35/17/1259573517.db2.gz LVGIJMQHGUVENR-TZIWHRDSSA-N 1 3 374.529 0.717 20 0 FCADHO CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C[C@H](N)Cc3ccccc3)C2)C1 ZINC001235518869 1259573524 /nfs/dbraw/zinc/57/35/24/1259573524.db2.gz LVGIJMQHGUVENR-TZIWHRDSSA-N 1 3 374.529 0.717 20 0 FCADHO c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[C@H]4COC[C@@H](C3)N4)cnc12 ZINC001235985470 1259586631 /nfs/dbraw/zinc/58/66/31/1259586631.db2.gz KWKNPXBCJVBWMN-DLBZAZTESA-N 1 3 356.474 0.759 20 0 FCADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1nnn2c1CNCCC2 ZINC001245985428 1259643263 /nfs/dbraw/zinc/64/32/63/1259643263.db2.gz KYXYONJCGLISMH-WMLDXEAASA-N 1 3 366.416 0.070 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)COc1ccc(CCOC)cc1 ZINC001246022288 1259643869 /nfs/dbraw/zinc/64/38/69/1259643869.db2.gz XBBQYBGWNHYORD-WMZOPIPTSA-N 1 3 367.490 0.448 20 0 FCADHO O=C1CCCN1CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246155585 1259650911 /nfs/dbraw/zinc/65/09/11/1259650911.db2.gz DXIFZOANMFLHOE-QGZVFWFLSA-N 1 3 358.486 0.670 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CNCCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597374 1259657761 /nfs/dbraw/zinc/65/77/61/1259657761.db2.gz UNBGNXCRXDDVDH-RCJHGTSTSA-N 1 3 367.490 0.535 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CNCCC[C@]3(C(=O)OCC)C2)CCN1 ZINC001246597374 1259657768 /nfs/dbraw/zinc/65/77/68/1259657768.db2.gz UNBGNXCRXDDVDH-RCJHGTSTSA-N 1 3 367.490 0.535 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733009 1259672618 /nfs/dbraw/zinc/67/26/18/1259672618.db2.gz CPGWSPWJAUNENH-YKTARERQSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733009 1259672625 /nfs/dbraw/zinc/67/26/25/1259672625.db2.gz CPGWSPWJAUNENH-YKTARERQSA-N 1 3 358.490 0.634 20 0 FCADHO O=C1N(Cc2ccncc2)CC[C@]12CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753730 1259679510 /nfs/dbraw/zinc/67/95/10/1259679510.db2.gz CNRYYCJDKWCYOT-QUCCMNQESA-N 1 3 369.513 0.990 20 0 FCADHO COC(=O)c1ccc(CN2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246808267 1259690844 /nfs/dbraw/zinc/69/08/44/1259690844.db2.gz MYAGSGBTUGEFFA-GOSISDBHSA-N 1 3 358.486 0.685 20 0 FCADHO c1cc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc(N2CCCC2)n1 ZINC001246865080 1259693318 /nfs/dbraw/zinc/69/33/18/1259693318.db2.gz VUKWXJBIJOVOMI-INIZCTEOSA-N 1 3 357.506 0.293 20 0 FCADHO COc1cc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)ccc1OC1COC1 ZINC001247832864 1259705684 /nfs/dbraw/zinc/70/56/84/1259705684.db2.gz ZZMJZURGSMSQSA-ZDUSSCGKSA-N 1 3 358.398 0.799 20 0 FCADHO COc1cc(-c2noc(C34CNCC3C[NH2+]C4)n2)ccc1OC1COC1 ZINC001247850276 1259706781 /nfs/dbraw/zinc/70/67/81/1259706781.db2.gz JXJSXGZEODEHRK-UHFFFAOYSA-N 1 3 358.398 0.583 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001521991643 1266282175 /nfs/dbraw/zinc/28/21/75/1266282175.db2.gz DTIAACVLLVFYHS-UHFFFAOYSA-N 1 3 351.451 0.234 20 0 FCADHO O=C1C=CC(=O)N1CCOCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949476 1259812899 /nfs/dbraw/zinc/81/28/99/1259812899.db2.gz NXPNIBNCPBNLTC-FQEVSTJZSA-N 1 3 373.453 0.155 20 0 FCADHO O=C1C=CC(=O)N1CCOCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949476 1259812902 /nfs/dbraw/zinc/81/29/02/1259812902.db2.gz NXPNIBNCPBNLTC-FQEVSTJZSA-N 1 3 373.453 0.155 20 0 FCADHO COc1cccc(OC[C@H](O)CN2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001253958064 1259867842 /nfs/dbraw/zinc/86/78/42/1259867842.db2.gz KUJHRYXQIYMDTL-MRXNPFEDSA-N 1 3 365.474 0.531 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](C3CCN(C4CC4)CC3)CC[C@@H]2C1 ZINC001256077874 1259933775 /nfs/dbraw/zinc/93/37/75/1259933775.db2.gz VOKLPLHUIWMROL-VQIMIIECSA-N 1 3 364.534 0.724 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](C3CCN(C4CC4)CC3)CC[C@@H]2C1 ZINC001256077874 1259933782 /nfs/dbraw/zinc/93/37/82/1259933782.db2.gz VOKLPLHUIWMROL-VQIMIIECSA-N 1 3 364.534 0.724 20 0 FCADHO O=C(N[C@@H]1CN2CCC1CC2)[C@@H]1CC[C@H]1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336057311 1259959700 /nfs/dbraw/zinc/95/97/00/1259959700.db2.gz XSBSHJMJUPZTRW-BRSBDYLESA-N 1 3 360.502 0.433 20 0 FCADHO CC(C)N1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001257215327 1260002714 /nfs/dbraw/zinc/00/27/14/1260002714.db2.gz DLPYHUFBKFNKNH-UHFFFAOYSA-N 1 3 369.535 0.663 20 0 FCADHO O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750156 1260213796 /nfs/dbraw/zinc/21/37/96/1260213796.db2.gz NIRDOEZVYJTGOB-UYAOXDASSA-N 1 3 364.486 0.770 20 0 FCADHO O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750156 1260213800 /nfs/dbraw/zinc/21/38/00/1260213800.db2.gz NIRDOEZVYJTGOB-UYAOXDASSA-N 1 3 364.486 0.770 20 0 FCADHO O[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750154 1260214031 /nfs/dbraw/zinc/21/40/31/1260214031.db2.gz NIRDOEZVYJTGOB-ICSRJNTNSA-N 1 3 364.486 0.770 20 0 FCADHO O[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750154 1260214037 /nfs/dbraw/zinc/21/40/37/1260214037.db2.gz NIRDOEZVYJTGOB-ICSRJNTNSA-N 1 3 364.486 0.770 20 0 FCADHO O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2CC[C@@H](C1)N2CCN1CCOCC1 ZINC001279246759 1260810974 /nfs/dbraw/zinc/81/09/74/1260810974.db2.gz NPXGCZJAQKVPSC-CEXWTWQISA-N 1 3 362.518 0.478 20 0 FCADHO C[NH+](C)CCN1CCN(Cc2cnccc2N)C[C@@]2(CCCC(=O)N2)C1 ZINC001279617154 1260900033 /nfs/dbraw/zinc/90/00/33/1260900033.db2.gz RFIVAMNBODGPNR-LJQANCHMSA-N 1 3 360.506 0.212 20 0 FCADHO C[C@@H]1C[C@H]1CN1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825939 1260939246 /nfs/dbraw/zinc/93/92/46/1260939246.db2.gz IBRDXCNQKVEZOI-BFJAYTPKSA-N 1 3 360.462 0.726 20 0 FCADHO COC(=O)CCCN1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279883127 1260950287 /nfs/dbraw/zinc/95/02/87/1260950287.db2.gz BTUQIOWRHLWAKA-PVAVHDDUSA-N 1 3 367.490 0.629 20 0 FCADHO CCC1(CN2C[C@@H]3C(C(=O)N4CCC([NH+](C)C)CC4)=NO[C@@H]3C2)COC1 ZINC001279905400 1260957133 /nfs/dbraw/zinc/95/71/33/1260957133.db2.gz QWIHUPHUZMNFIZ-JKSUJKDBSA-N 1 3 364.490 0.652 20 0 FCADHO C[C@H]1Cc2nnc(C(=O)NCC(F)F)n2CCN1CC1CC[NH+](C)CC1 ZINC001280125408 1261011182 /nfs/dbraw/zinc/01/11/82/1261011182.db2.gz IMAYERXRRKIIQV-LBPRGKRZSA-N 1 3 370.448 0.861 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O)N(C)C ZINC001281902722 1261271450 /nfs/dbraw/zinc/27/14/50/1261271450.db2.gz PWMTXVZAHJPAPO-RYRKJORJSA-N 1 3 368.522 0.137 20 0 FCADHO [NH3+]CCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001580302689 1278110649 /nfs/dbraw/zinc/11/06/49/1278110649.db2.gz NDAXEGZZFKJZTE-HZPDHXFCSA-N 1 3 364.494 0.637 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001289520017 1262236013 /nfs/dbraw/zinc/23/60/13/1262236013.db2.gz OMBUMQBFDLAXPP-NUJGCVRESA-N 1 3 368.522 0.399 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CCC1 ZINC001479666935 1263322057 /nfs/dbraw/zinc/32/20/57/1263322057.db2.gz IRJBTBQPQNXGCM-SJORKVTESA-N 1 3 362.518 0.777 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCNC(=O)C4CC4)CC[C@@H]3C2)CCC1 ZINC001479666935 1263322066 /nfs/dbraw/zinc/32/20/66/1263322066.db2.gz IRJBTBQPQNXGCM-SJORKVTESA-N 1 3 362.518 0.777 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]2C1)[NH+](C)C ZINC001479669727 1263327620 /nfs/dbraw/zinc/32/76/20/1263327620.db2.gz NDPBXIIBCNGOTD-SQNIBIBYSA-N 1 3 364.534 0.879 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@@H+]1C ZINC001580385838 1278204450 /nfs/dbraw/zinc/20/44/50/1278204450.db2.gz WPBTWZUNLJJIQS-KBRIMQKVSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@H+]1C ZINC001580385838 1278204455 /nfs/dbraw/zinc/20/44/55/1278204455.db2.gz WPBTWZUNLJJIQS-KBRIMQKVSA-N 1 3 369.473 0.897 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4n[nH]c(=O)cc4C3)CC2)CC1 ZINC001320718296 1263846712 /nfs/dbraw/zinc/84/67/12/1263846712.db2.gz PDTKTPSYBOQREJ-UHFFFAOYSA-N 1 3 374.489 0.809 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001512351020 1264619522 /nfs/dbraw/zinc/61/95/22/1264619522.db2.gz BMPYWTDDKGPOMV-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001512351020 1264619532 /nfs/dbraw/zinc/61/95/32/1264619532.db2.gz BMPYWTDDKGPOMV-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CN(CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)C1CCC1 ZINC001512980935 1264791980 /nfs/dbraw/zinc/79/19/80/1264791980.db2.gz HIUGDKYQQZUYGC-IAGOWNOFSA-N 1 3 366.506 0.035 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1)N(C)C ZINC001513389304 1265086142 /nfs/dbraw/zinc/08/61/42/1265086142.db2.gz ULSVKFZRUMAPPA-QXSJWSMHSA-N 1 3 356.511 0.255 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580408175 1278248376 /nfs/dbraw/zinc/24/83/76/1278248376.db2.gz DHGOOMOUXWFUOH-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580408175 1278248379 /nfs/dbraw/zinc/24/83/79/1278248379.db2.gz DHGOOMOUXWFUOH-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580408175 1278248386 /nfs/dbraw/zinc/24/83/86/1278248386.db2.gz DHGOOMOUXWFUOH-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580408175 1278248392 /nfs/dbraw/zinc/24/83/92/1278248392.db2.gz DHGOOMOUXWFUOH-UMVBOHGHSA-N 1 3 357.462 0.801 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001513717373 1265266737 /nfs/dbraw/zinc/26/67/37/1265266737.db2.gz QPAYZBQXPKIJCO-HLLBOEOZSA-N 1 3 370.538 0.238 20 0 FCADHO O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001524009214 1266675729 /nfs/dbraw/zinc/67/57/29/1266675729.db2.gz PQUFJFJTGWVUOB-SJORKVTESA-N 1 3 359.474 0.162 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001334313102 1266942697 /nfs/dbraw/zinc/94/26/97/1266942697.db2.gz FLXLWQUOLLQLSL-OIISXLGYSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001334313102 1266942704 /nfs/dbraw/zinc/94/27/04/1266942704.db2.gz FLXLWQUOLLQLSL-OIISXLGYSA-N 1 3 366.506 0.155 20 0 FCADHO CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001334480109 1267027126 /nfs/dbraw/zinc/02/71/26/1267027126.db2.gz YFUKQYWXSOTEDB-KRWDZBQOSA-N 1 3 362.526 0.374 20 0 FCADHO CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001334480109 1267027137 /nfs/dbraw/zinc/02/71/37/1267027137.db2.gz YFUKQYWXSOTEDB-KRWDZBQOSA-N 1 3 362.526 0.374 20 0 FCADHO CN(C)CCn1nccc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001542572607 1267499921 /nfs/dbraw/zinc/49/99/21/1267499921.db2.gz YEDXNTNOGXAKHV-UHFFFAOYSA-N 1 3 367.494 0.790 20 0 FCADHO CCN1CCN(CCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001338718656 1268058908 /nfs/dbraw/zinc/05/89/08/1268058908.db2.gz GXXRKDBMZCUJQH-INIZCTEOSA-N 1 3 374.485 0.261 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)N(C)C1 ZINC001550284099 1268104424 /nfs/dbraw/zinc/10/44/24/1268104424.db2.gz WPTIBACBVAXERB-XHSDSOJGSA-N 1 3 354.495 0.506 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)C[C@H]2[NH3+])c1 ZINC001550732945 1268157321 /nfs/dbraw/zinc/15/73/21/1268157321.db2.gz VDIFEWPNTGGGCT-ZACQAIPSSA-N 1 3 354.458 0.743 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1cccnc1Cl ZINC001550911807 1268184598 /nfs/dbraw/zinc/18/45/98/1268184598.db2.gz DQNBUTGAQPSZLA-BLLLJJGKSA-N 1 3 365.865 0.910 20 0 FCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@H]21 ZINC001551477837 1268258763 /nfs/dbraw/zinc/25/87/63/1268258763.db2.gz HZVCDPGCXJXPPA-AJYGOWOKSA-N 1 3 358.486 0.752 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC001551495410 1268261989 /nfs/dbraw/zinc/26/19/89/1268261989.db2.gz CUEXBCUYXOSBKF-PQUAAJSLSA-N 1 3 354.495 0.779 20 0 FCADHO CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CCN(CCn2cccn2)CC1 ZINC001552168101 1268400901 /nfs/dbraw/zinc/40/09/01/1268400901.db2.gz NXPQFOAFQRQOEP-MRXNPFEDSA-N 1 3 372.477 0.246 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC001552202891 1268409296 /nfs/dbraw/zinc/40/92/96/1268409296.db2.gz SKVBZHKWFLWQAL-FXAWDEMLSA-N 1 3 358.486 0.999 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283645 1268431590 /nfs/dbraw/zinc/43/15/90/1268431590.db2.gz SYIRBWDCJZXJSZ-LFEHRJTNSA-N 1 3 351.491 0.570 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001340132270 1268445898 /nfs/dbraw/zinc/44/58/98/1268445898.db2.gz MTWJRBLXCNKYAW-OAHLLOKOSA-N 1 3 368.522 0.402 20 0 FCADHO CN1CCN([C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770520 1268543728 /nfs/dbraw/zinc/54/37/28/1268543728.db2.gz WLDDCAGAACJWHI-QGZVFWFLSA-N 1 3 366.554 0.044 20 0 FCADHO CN1CCN([C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770520 1268543733 /nfs/dbraw/zinc/54/37/33/1268543733.db2.gz WLDDCAGAACJWHI-QGZVFWFLSA-N 1 3 366.554 0.044 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC001552844167 1268558045 /nfs/dbraw/zinc/55/80/45/1268558045.db2.gz JPCOCGPRKWKZDQ-FXUDXRNXSA-N 1 3 362.861 0.413 20 0 FCADHO [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001553441947 1268650620 /nfs/dbraw/zinc/65/06/20/1268650620.db2.gz BZGQWEPWOSIVQW-ZHALLVOQSA-N 1 3 366.506 0.637 20 0 FCADHO O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC001553512046 1268661487 /nfs/dbraw/zinc/66/14/87/1268661487.db2.gz VEITZNIKSQHYAF-CVEARBPZSA-N 1 3 352.479 0.308 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cc(C(N)=O)no3)CC2)CC1 ZINC001341007100 1268741325 /nfs/dbraw/zinc/74/13/25/1268741325.db2.gz SVQIRXOHFGDGFW-UHFFFAOYSA-N 1 3 364.450 0.131 20 0 FCADHO Cc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cccc1-c1nnn[n-]1 ZINC001580531982 1278457665 /nfs/dbraw/zinc/45/76/65/1278457665.db2.gz CQHASGVQNVJNLN-HUUCEWRRSA-N 1 3 371.489 0.987 20 0 FCADHO Cc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cccc1-c1nn[n-]n1 ZINC001580531982 1278457668 /nfs/dbraw/zinc/45/76/68/1278457668.db2.gz CQHASGVQNVJNLN-HUUCEWRRSA-N 1 3 371.489 0.987 20 0 FCADHO CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001341599805 1269102425 /nfs/dbraw/zinc/10/24/25/1269102425.db2.gz NIDXAPLUMDWWNF-SFHVURJKSA-N 1 3 373.501 0.032 20 0 FCADHO [NH3+]CCNCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001341712093 1269164891 /nfs/dbraw/zinc/16/48/91/1269164891.db2.gz HOHLVSCMEINTSI-UHFFFAOYSA-N 1 3 354.882 0.848 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCCCC3)CCC2)CC[N@@H+]1C ZINC001570105363 1269840474 /nfs/dbraw/zinc/84/04/74/1269840474.db2.gz SFUPNKLZCBTTSG-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCCCC3)CCC2)CC[N@H+]1C ZINC001570105363 1269840490 /nfs/dbraw/zinc/84/04/90/1269840490.db2.gz SFUPNKLZCBTTSG-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(NC[C@@]1(O)CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001580635363 1278599048 /nfs/dbraw/zinc/59/90/48/1278599048.db2.gz NLXGMUGCIDUZEG-DOTOQJQBSA-N 1 3 353.413 0.984 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574854627 1271607189 /nfs/dbraw/zinc/60/71/89/1271607189.db2.gz RFVSQFZUTKTAEU-LBPRGKRZSA-N 1 3 373.436 0.696 20 0 FCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896185 1271659228 /nfs/dbraw/zinc/65/92/28/1271659228.db2.gz BVXAPDGDLQKCSX-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574896185 1271659232 /nfs/dbraw/zinc/65/92/32/1271659232.db2.gz BVXAPDGDLQKCSX-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575391183 1272037707 /nfs/dbraw/zinc/03/77/07/1272037707.db2.gz HBYFAROSWBTWTB-ZIAGYGMSSA-N 1 3 369.473 0.945 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001575419658 1272074895 /nfs/dbraw/zinc/07/48/95/1272074895.db2.gz CSKNAMQUYVWPDP-QGZVFWFLSA-N 1 3 363.510 0.301 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001575419658 1272074904 /nfs/dbraw/zinc/07/49/04/1272074904.db2.gz CSKNAMQUYVWPDP-QGZVFWFLSA-N 1 3 363.510 0.301 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565850 1272200893 /nfs/dbraw/zinc/20/08/93/1272200893.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565850 1272200895 /nfs/dbraw/zinc/20/08/95/1272200895.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565850 1272200900 /nfs/dbraw/zinc/20/09/00/1272200900.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565850 1272200906 /nfs/dbraw/zinc/20/09/06/1272200906.db2.gz DYZUCLYEYKXSFB-HOTGVXAUSA-N 1 3 364.494 0.096 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)NCc3c[nH]nn3)C2)CC1 ZINC001575701683 1272321545 /nfs/dbraw/zinc/32/15/45/1272321545.db2.gz FQOCJGWGFXCTKR-RHSMWYFYSA-N 1 3 364.494 0.631 20 0 FCADHO C[C@H](NCc1c[nH]nn1)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702730 1272328649 /nfs/dbraw/zinc/32/86/49/1272328649.db2.gz OYUOYPMVVMVSBF-RDJZCZTQSA-N 1 3 364.494 0.776 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1CCN1CCCC1 ZINC001575712342 1272352456 /nfs/dbraw/zinc/35/24/56/1272352456.db2.gz OPKFUEFCRWIWMT-GJZGRUSLSA-N 1 3 363.510 0.686 20 0 FCADHO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCC1 ZINC001576798921 1273705259 /nfs/dbraw/zinc/70/52/59/1273705259.db2.gz ZAJGNTSIGAFUED-GJZGRUSLSA-N 1 3 361.494 0.465 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850002 1273799914 /nfs/dbraw/zinc/79/99/14/1273799914.db2.gz NZJPLQXRMWJPLR-KFWWJZLASA-N 1 3 361.494 0.464 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850002 1273799919 /nfs/dbraw/zinc/79/99/19/1273799919.db2.gz NZJPLQXRMWJPLR-KFWWJZLASA-N 1 3 361.494 0.464 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](NCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890441 1273881979 /nfs/dbraw/zinc/88/19/79/1273881979.db2.gz VESLZJSPMDDLNP-NXHRZFHOSA-N 1 3 354.458 0.841 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](NCc3c[nH]nn3)C2)[C@@H](c2ccccc2)C1 ZINC001576890441 1273881993 /nfs/dbraw/zinc/88/19/93/1273881993.db2.gz VESLZJSPMDDLNP-NXHRZFHOSA-N 1 3 354.458 0.841 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001578397581 1275773364 /nfs/dbraw/zinc/77/33/64/1275773364.db2.gz RGJXDHINBDKCKB-GJZGRUSLSA-N 1 3 353.511 0.616 20 0 FCADHO O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1CC(N[C@H]2CCOC2)C1 ZINC001580829409 1279008426 /nfs/dbraw/zinc/00/84/26/1279008426.db2.gz UPUQQEAZJRMNCE-ZDUSSCGKSA-N 1 3 350.488 0.888 20 0 FCADHO CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578973700 1276520866 /nfs/dbraw/zinc/52/08/66/1276520866.db2.gz YOWTZZBVGFBKDP-UHFFFAOYSA-N 1 3 357.462 0.897 20 0 FCADHO CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578973700 1276520868 /nfs/dbraw/zinc/52/08/68/1276520868.db2.gz YOWTZZBVGFBKDP-UHFFFAOYSA-N 1 3 357.462 0.897 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001578975736 1276526465 /nfs/dbraw/zinc/52/64/65/1276526465.db2.gz GBEQQOQSRHPMOH-ZDUSSCGKSA-N 1 3 361.425 0.648 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001578975736 1276526471 /nfs/dbraw/zinc/52/64/71/1276526471.db2.gz GBEQQOQSRHPMOH-ZDUSSCGKSA-N 1 3 361.425 0.648 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579021271 1276598608 /nfs/dbraw/zinc/59/86/08/1276598608.db2.gz LKLWLZIPKKSPGZ-CVEARBPZSA-N 1 3 366.510 0.548 20 0 FCADHO CON(C)c1nnc(C2CC[NH2+]CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001579100647 1276753542 /nfs/dbraw/zinc/75/35/42/1276753542.db2.gz VHPUURUXQOOPPB-UHFFFAOYSA-N 1 3 365.526 0.769 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001579120484 1276794405 /nfs/dbraw/zinc/79/44/05/1276794405.db2.gz FUESTKDREOTVRB-BSDSXHPESA-N 1 3 362.474 0.155 20 0 FCADHO C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nnn[n-]1 ZINC001579171358 1276926351 /nfs/dbraw/zinc/92/63/51/1276926351.db2.gz CIVKYOGTDDWYPP-QGZVFWFLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nnn[n-]1 ZINC001579171358 1276926359 /nfs/dbraw/zinc/92/63/59/1276926359.db2.gz CIVKYOGTDDWYPP-QGZVFWFLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327004 1277153389 /nfs/dbraw/zinc/15/33/89/1277153389.db2.gz NWHUBEQEGKDTIC-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327004 1277153390 /nfs/dbraw/zinc/15/33/90/1277153390.db2.gz NWHUBEQEGKDTIC-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327004 1277153392 /nfs/dbraw/zinc/15/33/92/1277153392.db2.gz NWHUBEQEGKDTIC-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327004 1277153394 /nfs/dbraw/zinc/15/33/94/1277153394.db2.gz NWHUBEQEGKDTIC-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579327849 1277154261 /nfs/dbraw/zinc/15/42/61/1277154261.db2.gz YALJGPKEHHMFKQ-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579327849 1277154263 /nfs/dbraw/zinc/15/42/63/1277154263.db2.gz YALJGPKEHHMFKQ-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001579327849 1277154266 /nfs/dbraw/zinc/15/42/66/1277154266.db2.gz YALJGPKEHHMFKQ-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001579327849 1277154269 /nfs/dbraw/zinc/15/42/69/1277154269.db2.gz YALJGPKEHHMFKQ-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331690 1277162953 /nfs/dbraw/zinc/16/29/53/1277162953.db2.gz GPYIXTPUKBFDOS-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331690 1277162954 /nfs/dbraw/zinc/16/29/54/1277162954.db2.gz GPYIXTPUKBFDOS-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331690 1277162957 /nfs/dbraw/zinc/16/29/57/1277162957.db2.gz GPYIXTPUKBFDOS-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331690 1277162959 /nfs/dbraw/zinc/16/29/59/1277162959.db2.gz GPYIXTPUKBFDOS-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334010 1277171047 /nfs/dbraw/zinc/17/10/47/1277171047.db2.gz UJVGBQUHSPVUSV-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334010 1277171048 /nfs/dbraw/zinc/17/10/48/1277171048.db2.gz UJVGBQUHSPVUSV-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334010 1277171049 /nfs/dbraw/zinc/17/10/49/1277171049.db2.gz UJVGBQUHSPVUSV-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334010 1277171050 /nfs/dbraw/zinc/17/10/50/1277171050.db2.gz UJVGBQUHSPVUSV-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335265 1277176740 /nfs/dbraw/zinc/17/67/40/1277176740.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335265 1277176743 /nfs/dbraw/zinc/17/67/43/1277176743.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335265 1277176744 /nfs/dbraw/zinc/17/67/44/1277176744.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335265 1277176747 /nfs/dbraw/zinc/17/67/47/1277176747.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335265 1277176750 /nfs/dbraw/zinc/17/67/50/1277176750.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335265 1277176751 /nfs/dbraw/zinc/17/67/51/1277176751.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335265 1277176752 /nfs/dbraw/zinc/17/67/52/1277176752.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335265 1277176756 /nfs/dbraw/zinc/17/67/56/1277176756.db2.gz PPLITNNOBLLKPR-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339353 1277183659 /nfs/dbraw/zinc/18/36/59/1277183659.db2.gz GBOCUDNOWGEOMH-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339353 1277183660 /nfs/dbraw/zinc/18/36/60/1277183660.db2.gz GBOCUDNOWGEOMH-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339353 1277183661 /nfs/dbraw/zinc/18/36/61/1277183661.db2.gz GBOCUDNOWGEOMH-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339353 1277183662 /nfs/dbraw/zinc/18/36/62/1277183662.db2.gz GBOCUDNOWGEOMH-OAGGEKHMSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339976 1277184678 /nfs/dbraw/zinc/18/46/78/1277184678.db2.gz OTJFDPLCDXACDK-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339976 1277184680 /nfs/dbraw/zinc/18/46/80/1277184680.db2.gz OTJFDPLCDXACDK-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339976 1277184683 /nfs/dbraw/zinc/18/46/83/1277184683.db2.gz OTJFDPLCDXACDK-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339976 1277184685 /nfs/dbraw/zinc/18/46/85/1277184685.db2.gz OTJFDPLCDXACDK-JYJNAYRXSA-N 1 3 355.446 0.555 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001713763939 1287296575 /nfs/dbraw/zinc/29/65/75/1287296575.db2.gz JZPOQLLQSXAHLH-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001713763939 1287296577 /nfs/dbraw/zinc/29/65/77/1287296577.db2.gz JZPOQLLQSXAHLH-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015149 1277990690 /nfs/dbraw/zinc/99/06/90/1277990690.db2.gz NQNHZEMBXOBXIW-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015149 1277990697 /nfs/dbraw/zinc/99/06/97/1277990697.db2.gz NQNHZEMBXOBXIW-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015149 1277990699 /nfs/dbraw/zinc/99/06/99/1277990699.db2.gz NQNHZEMBXOBXIW-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015149 1277990704 /nfs/dbraw/zinc/99/07/04/1277990704.db2.gz NQNHZEMBXOBXIW-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO Cc1cc(NC[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013656 1279240428 /nfs/dbraw/zinc/24/04/28/1279240428.db2.gz UVPIAIPLFBKRRP-JSGCOSHPSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(NC[C@H](C)N(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013656 1279240429 /nfs/dbraw/zinc/24/04/29/1279240429.db2.gz UVPIAIPLFBKRRP-JSGCOSHPSA-N 1 3 372.477 0.593 20 0 FCADHO O=C(NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)C12CC[NH+](CC1)C2 ZINC001582390576 1281452538 /nfs/dbraw/zinc/45/25/38/1281452538.db2.gz MMSWIGIYOQTHSZ-UHFFFAOYSA-N 1 3 367.457 0.701 20 0 FCADHO C[C@@H](CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001589828311 1283067045 /nfs/dbraw/zinc/06/70/45/1283067045.db2.gz OJLMAYTYNYJVDS-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CC[NH+](C)C ZINC001589828311 1283067051 /nfs/dbraw/zinc/06/70/51/1283067051.db2.gz OJLMAYTYNYJVDS-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1 ZINC001719069217 1287652221 /nfs/dbraw/zinc/65/22/21/1287652221.db2.gz HBFPAFVOOGXINA-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682495039 1283623407 /nfs/dbraw/zinc/62/34/07/1283623407.db2.gz KSRXEZWTHDRHFY-BZUAXINKSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682495039 1283623418 /nfs/dbraw/zinc/62/34/18/1283623418.db2.gz KSRXEZWTHDRHFY-BZUAXINKSA-N 1 3 366.506 0.031 20 0 FCADHO C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591175724 1284266716 /nfs/dbraw/zinc/26/67/16/1284266716.db2.gz SOYFDBCLDIDGQB-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591175724 1284266720 /nfs/dbraw/zinc/26/67/20/1284266720.db2.gz SOYFDBCLDIDGQB-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO CC(C)N(C)C(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001733574587 1288619547 /nfs/dbraw/zinc/61/95/47/1288619547.db2.gz YYHZLMUSJWJHQK-MDMSPXHWSA-N 1 3 364.534 0.972 20 0 FCADHO CC(C)N(C)C(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001733574587 1288619551 /nfs/dbraw/zinc/61/95/51/1288619551.db2.gz YYHZLMUSJWJHQK-MDMSPXHWSA-N 1 3 364.534 0.972 20 0 FCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1)N(C)C ZINC001691885565 1289333476 /nfs/dbraw/zinc/33/34/76/1289333476.db2.gz FMPAQJAHROXKNK-YNEHKIRRSA-N 1 3 366.428 0.880 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001739585224 1290198871 /nfs/dbraw/zinc/19/88/71/1290198871.db2.gz XNZFCVNSZGOKIL-BRWVUGGUSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2cccc(C(N)=O)c2)CC[N@@H+]1C ZINC001754882487 1290634289 /nfs/dbraw/zinc/63/42/89/1290634289.db2.gz FREQLPYLNJHYCI-RHSMWYFYSA-N 1 3 362.474 0.036 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2cccc(C(N)=O)c2)CC[N@H+]1C ZINC001754882487 1290634292 /nfs/dbraw/zinc/63/42/92/1290634292.db2.gz FREQLPYLNJHYCI-RHSMWYFYSA-N 1 3 362.474 0.036 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001757474235 1290774683 /nfs/dbraw/zinc/77/46/83/1290774683.db2.gz ZWANWAQBBMEGPD-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001757474235 1290774686 /nfs/dbraw/zinc/77/46/86/1290774686.db2.gz ZWANWAQBBMEGPD-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001676422621 1292202728 /nfs/dbraw/zinc/20/27/28/1292202728.db2.gz XRHKYKIBYUXODQ-WMLDXEAASA-N 1 3 354.495 0.242 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCOC)C1)N(C)C ZINC001689034207 1294580493 /nfs/dbraw/zinc/58/04/93/1294580493.db2.gz OKKGLNZYUXOTSQ-BBWFWOEESA-N 1 3 351.495 0.681 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1CCN1CCNC1=O ZINC001689184669 1294653408 /nfs/dbraw/zinc/65/34/08/1294653408.db2.gz OGFUHOQNXITPPC-LSDHHAIUSA-N 1 3 351.495 0.323 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CN3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC001689588122 1294802332 /nfs/dbraw/zinc/80/23/32/1294802332.db2.gz VHASKQLKRJGEIB-HRCADAONSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)CN3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC001689588122 1294802344 /nfs/dbraw/zinc/80/23/44/1294802344.db2.gz VHASKQLKRJGEIB-HRCADAONSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691820117 1294928577 /nfs/dbraw/zinc/92/85/77/1294928577.db2.gz XQRDBZJZNDPNKU-WBVHZDCISA-N 1 3 365.522 0.713 20 0 FCADHO c1ncc(O[C@H]2C[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CCN3C2)cn1 ZINC001164740899 720806696 /nfs/dbraw/zinc/80/66/96/720806696.db2.gz AWIGVWWUTGURBK-CABCVRRESA-N 1 3 353.430 0.295 20 0 FCADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866889 721059415 /nfs/dbraw/zinc/05/94/15/721059415.db2.gz GPJLXDKTLNTTKN-ZWKOTPCHSA-N 1 3 366.469 0.997 20 0 FCADHO Cn1cc(CN2CC[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164765739 721163868 /nfs/dbraw/zinc/16/38/68/721163868.db2.gz IDYRALTXHANCFL-NVXWUHKLSA-N 1 3 353.474 0.814 20 0 FCADHO C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379656527 836049852 /nfs/dbraw/zinc/04/98/52/836049852.db2.gz PKHXBOWEZHQEAZ-RDJZCZTQSA-N 1 3 352.504 0.779 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000398187766 836067054 /nfs/dbraw/zinc/06/70/54/836067054.db2.gz YPPKBXRXFMZENY-DOTOQJQBSA-N 1 3 352.504 0.637 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435568 844185670 /nfs/dbraw/zinc/18/56/70/844185670.db2.gz XDIQJIDIUHGGPR-FCEWJHQRSA-N 1 3 352.523 0.975 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443272 844187135 /nfs/dbraw/zinc/18/71/35/844187135.db2.gz CAJHWXWISVZAQX-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443272 844187144 /nfs/dbraw/zinc/18/71/44/844187144.db2.gz CAJHWXWISVZAQX-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440971 844187314 /nfs/dbraw/zinc/18/73/14/844187314.db2.gz DSPOALPTHCEZLZ-MDZRGWNJSA-N 1 3 352.523 0.975 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101440971 844187317 /nfs/dbraw/zinc/18/73/17/844187317.db2.gz DSPOALPTHCEZLZ-MDZRGWNJSA-N 1 3 352.523 0.975 20 0 FCADHO CCN(CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065178128 836819395 /nfs/dbraw/zinc/81/93/95/836819395.db2.gz NRJQFNWCFKMWQK-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065178128 836819409 /nfs/dbraw/zinc/81/94/09/836819409.db2.gz NRJQFNWCFKMWQK-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065208031 836822275 /nfs/dbraw/zinc/82/22/75/836822275.db2.gz ZBSKUUUUASMGDX-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065208031 836822282 /nfs/dbraw/zinc/82/22/82/836822282.db2.gz ZBSKUUUUASMGDX-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065210142 836823888 /nfs/dbraw/zinc/82/38/88/836823888.db2.gz AYPHSCKJZDIIQV-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065210142 836823893 /nfs/dbraw/zinc/82/38/93/836823893.db2.gz AYPHSCKJZDIIQV-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046338 844394519 /nfs/dbraw/zinc/39/45/19/844394519.db2.gz ZCMCCHFVDIBLNE-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046338 844394525 /nfs/dbraw/zinc/39/45/25/844394525.db2.gz ZCMCCHFVDIBLNE-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102104455 844416728 /nfs/dbraw/zinc/41/67/28/844416728.db2.gz XCVLMEFNLSGXDW-HUUCEWRRSA-N 1 3 353.511 0.426 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102104455 844416733 /nfs/dbraw/zinc/41/67/33/844416733.db2.gz XCVLMEFNLSGXDW-HUUCEWRRSA-N 1 3 353.511 0.426 20 0 FCADHO COCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079717410 839580181 /nfs/dbraw/zinc/58/01/81/839580181.db2.gz HJSPQMCJZPUTBV-DDBAPUKQSA-N 1 3 353.507 0.816 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102290431 844459609 /nfs/dbraw/zinc/45/96/09/844459609.db2.gz DQXMSRRFNRKNGR-GDBMZVCRSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290922 844459833 /nfs/dbraw/zinc/45/98/33/844459833.db2.gz ZAARTIIHNPJAGR-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369824 844477236 /nfs/dbraw/zinc/47/72/36/844477236.db2.gz IARQTRRAZCYLGM-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369824 844477241 /nfs/dbraw/zinc/47/72/41/844477241.db2.gz IARQTRRAZCYLGM-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372806 844478847 /nfs/dbraw/zinc/47/88/47/844478847.db2.gz OQCCUOMYNNDXEI-HBUWYVDXSA-N 1 3 356.486 0.629 20 0 FCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372806 844478855 /nfs/dbraw/zinc/47/88/55/844478855.db2.gz OQCCUOMYNNDXEI-HBUWYVDXSA-N 1 3 356.486 0.629 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102382332 844481719 /nfs/dbraw/zinc/48/17/19/844481719.db2.gz YOYBJJKTRQOVFH-KFWWJZLASA-N 1 3 352.479 0.160 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102382332 844481726 /nfs/dbraw/zinc/48/17/26/844481726.db2.gz YOYBJJKTRQOVFH-KFWWJZLASA-N 1 3 352.479 0.160 20 0 FCADHO CO[C@@H]1CN(CCC(C)C)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686070 840000056 /nfs/dbraw/zinc/00/00/56/840000056.db2.gz DQFQWNMWCGWIBD-IAGOWNOFSA-N 1 3 351.495 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082511845 840444613 /nfs/dbraw/zinc/44/46/13/840444613.db2.gz UBHPZFRYHSJEGD-OWCLPIDISA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082557657 840465014 /nfs/dbraw/zinc/46/50/14/840465014.db2.gz WSDAIDZVJMMWRJ-QLFBSQMISA-N 1 3 357.520 0.342 20 0 FCADHO CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082720214 840537134 /nfs/dbraw/zinc/53/71/34/840537134.db2.gz LVBLPVBPVWGJII-DJIMGWMZSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082741212 840543069 /nfs/dbraw/zinc/54/30/69/840543069.db2.gz SQMMHBPTPYEXKI-HLLBOEOZSA-N 1 3 371.547 0.732 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102525760 844552700 /nfs/dbraw/zinc/55/27/00/844552700.db2.gz TWISDJDMFZRPTB-ZACQAIPSSA-N 1 3 351.495 0.270 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102525760 844552706 /nfs/dbraw/zinc/55/27/06/844552706.db2.gz TWISDJDMFZRPTB-ZACQAIPSSA-N 1 3 351.495 0.270 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082943697 840616954 /nfs/dbraw/zinc/61/69/54/840616954.db2.gz XUDMOGQXEJHQPC-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)n1 ZINC001102602018 844593606 /nfs/dbraw/zinc/59/36/06/844593606.db2.gz ZISXOBFMSVATCT-RHSMWYFYSA-N 1 3 350.511 0.919 20 0 FCADHO Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)n1 ZINC001102602018 844593610 /nfs/dbraw/zinc/59/36/10/844593610.db2.gz ZISXOBFMSVATCT-RHSMWYFYSA-N 1 3 350.511 0.919 20 0 FCADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083523076 841120716 /nfs/dbraw/zinc/12/07/16/841120716.db2.gz LPRSHUCSGDEEBE-KURKYZTESA-N 1 3 353.507 0.837 20 0 FCADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083523076 841120721 /nfs/dbraw/zinc/12/07/21/841120721.db2.gz LPRSHUCSGDEEBE-KURKYZTESA-N 1 3 353.507 0.837 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093285536 843421051 /nfs/dbraw/zinc/42/10/51/843421051.db2.gz QTYVXHYCKMXJCJ-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085180 844697469 /nfs/dbraw/zinc/69/74/69/844697469.db2.gz JRJJBDWFFIFLLA-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085180 844697474 /nfs/dbraw/zinc/69/74/74/844697474.db2.gz JRJJBDWFFIFLLA-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001104678775 844932722 /nfs/dbraw/zinc/93/27/22/844932722.db2.gz BIMYVDLSZFVDKN-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105661879 845012309 /nfs/dbraw/zinc/01/23/09/845012309.db2.gz LMDOJOWKUNZSJB-RWQQGDIJSA-N 1 3 355.523 0.677 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676298 845017584 /nfs/dbraw/zinc/01/75/84/845017584.db2.gz VLVZYCJZNVJIDF-PSBWJHGTSA-N 1 3 355.523 0.675 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106246842 845143390 /nfs/dbraw/zinc/14/33/90/845143390.db2.gz RSCSRWAYIDKULQ-HUUCEWRRSA-N 1 3 359.536 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106255906 845144548 /nfs/dbraw/zinc/14/45/48/845144548.db2.gz ONYZLIYOVAMQPW-HUUCEWRRSA-N 1 3 359.536 0.590 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001106665828 845218941 /nfs/dbraw/zinc/21/89/41/845218941.db2.gz DCQKZDXAPCGHSO-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106664862 845218995 /nfs/dbraw/zinc/21/89/95/845218995.db2.gz AKQBJXBHNQARMK-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)CS(C)(=O)=O ZINC001106704750 845229476 /nfs/dbraw/zinc/22/94/76/845229476.db2.gz BJZSXNVMTVJICF-BFHYXJOUSA-N 1 3 356.492 0.317 20 0 FCADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106796823 845254381 /nfs/dbraw/zinc/25/43/81/845254381.db2.gz AOULDIFNQNVLNF-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106907784 845284456 /nfs/dbraw/zinc/28/44/56/845284456.db2.gz CGKNNJYZPBOBAT-ZIAGYGMSSA-N 1 3 351.451 0.639 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106906119 845284772 /nfs/dbraw/zinc/28/47/72/845284772.db2.gz YGHHJTOXCFFTKM-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC001107039715 845317597 /nfs/dbraw/zinc/31/75/97/845317597.db2.gz VNMPIDLPPRIJCX-CHWSQXEVSA-N 1 3 366.428 0.689 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001107530602 845392305 /nfs/dbraw/zinc/39/23/05/845392305.db2.gz BPKKZURWGNSVOI-JFIYKMOQSA-N 1 3 371.547 0.734 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918586 845760591 /nfs/dbraw/zinc/76/05/91/845760591.db2.gz PSEULOQOTFHLQP-OWSLCNJRSA-N 1 3 353.507 0.836 20 0 FCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198231 846059150 /nfs/dbraw/zinc/05/91/50/846059150.db2.gz PMGKXXFVNMUJAR-AHCXZYCDSA-N 1 3 353.507 0.980 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217287 846064717 /nfs/dbraw/zinc/06/47/17/846064717.db2.gz PSEULOQOTFHLQP-TVFCKZIOSA-N 1 3 353.507 0.836 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCCC1=O)C2 ZINC001111925811 846264217 /nfs/dbraw/zinc/26/42/17/846264217.db2.gz KWTZQQPOQBVYEI-LPHOPBHVSA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCCC1=O)C2 ZINC001111925811 846264229 /nfs/dbraw/zinc/26/42/29/846264229.db2.gz KWTZQQPOQBVYEI-LPHOPBHVSA-N 1 3 350.507 0.921 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111952572 846275052 /nfs/dbraw/zinc/27/50/52/846275052.db2.gz ONKBOLOVOONVJY-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111952572 846275064 /nfs/dbraw/zinc/27/50/64/846275064.db2.gz ONKBOLOVOONVJY-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113184 846393136 /nfs/dbraw/zinc/39/31/36/846393136.db2.gz IGAVLUCKZPNBFL-JHJVBQTASA-N 1 3 367.412 0.457 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1)[NH+](C)C ZINC001112160171 846426062 /nfs/dbraw/zinc/42/60/62/846426062.db2.gz WFEGEQBKPBWCSK-MGPQQGTHSA-N 1 3 369.428 0.560 20 0 FCADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506704 846509469 /nfs/dbraw/zinc/50/94/69/846509469.db2.gz AROVTNCTOFHENU-KXBFYZLASA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112529906 846515903 /nfs/dbraw/zinc/51/59/03/846515903.db2.gz VDHRMLWWLONQQX-GJYPPUQNSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112586138 846531626 /nfs/dbraw/zinc/53/16/26/846531626.db2.gz JHAKTFCXSHLXHF-FCEWJHQRSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)CCO2 ZINC001118123438 847290294 /nfs/dbraw/zinc/29/02/94/847290294.db2.gz KSLIPDVRQWKABY-CVEARBPZSA-N 1 3 352.479 0.356 20 0 FCADHO CCN1C[C@@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@@H]1C ZINC001121362756 848343614 /nfs/dbraw/zinc/34/36/14/848343614.db2.gz QGWDSPBWAOAJMI-LSDHHAIUSA-N 1 3 350.511 0.906 20 0 FCADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CNCC[NH3+])CC1 ZINC001122009369 848433738 /nfs/dbraw/zinc/43/37/38/848433738.db2.gz NIEDXEYONSCWSN-AWEZNQCLSA-N 1 3 351.470 0.693 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccsc2)CC[N@@H+]1C ZINC001127644099 848730431 /nfs/dbraw/zinc/73/04/31/848730431.db2.gz UXDZRJFABCMUJA-UKRRQHHQSA-N 1 3 352.504 0.753 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccsc2)CC[N@H+]1C ZINC001127644099 848730440 /nfs/dbraw/zinc/73/04/40/848730440.db2.gz UXDZRJFABCMUJA-UKRRQHHQSA-N 1 3 352.504 0.753 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894834 848909641 /nfs/dbraw/zinc/90/96/41/848909641.db2.gz UUXPYEKEMUCUSI-ZNMIVQPWSA-N 1 3 350.467 0.139 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129895627 848909655 /nfs/dbraw/zinc/90/96/55/848909655.db2.gz GDQFXTUHDOFIKW-BMFZPTHFSA-N 1 3 350.467 0.139 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)C1 ZINC001130012149 848931047 /nfs/dbraw/zinc/93/10/47/848931047.db2.gz RIMHYPFSVYKGIS-CABCVRRESA-N 1 3 352.458 0.711 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107744 848945984 /nfs/dbraw/zinc/94/59/84/848945984.db2.gz ZFKYRXYUJCSIGG-OAGGEKHMSA-N 1 3 352.483 0.122 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107745 848946927 /nfs/dbraw/zinc/94/69/27/848946927.db2.gz ZFKYRXYUJCSIGG-XHSDSOJGSA-N 1 3 352.483 0.122 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130695357 849027964 /nfs/dbraw/zinc/02/79/64/849027964.db2.gz OIPQEGCSOBXINF-DOTOQJQBSA-N 1 3 351.495 0.682 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608662 849129949 /nfs/dbraw/zinc/12/99/49/849129949.db2.gz KLOWXTFVWARIND-QAPCUYQASA-N 1 3 354.495 0.058 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762567 862058372 /nfs/dbraw/zinc/05/83/72/862058372.db2.gz XCKWMHYAONCQQI-IBGZPJMESA-N 1 3 352.523 0.319 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762567 862058387 /nfs/dbraw/zinc/05/83/87/862058387.db2.gz XCKWMHYAONCQQI-IBGZPJMESA-N 1 3 352.523 0.319 20 0 FCADHO CCCCOC[C@H](O)CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778924 862076562 /nfs/dbraw/zinc/07/65/62/862076562.db2.gz VEQNWNGJKMOZDO-AEFFLSMTSA-N 1 3 357.495 0.029 20 0 FCADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158027422 850013553 /nfs/dbraw/zinc/01/35/53/850013553.db2.gz FMFAKHHXTNIRMH-WBVHZDCISA-N 1 3 369.531 0.536 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CC(F)F)C2 ZINC001158379933 850041308 /nfs/dbraw/zinc/04/13/08/850041308.db2.gz GNHRMDITLAQXRW-ZEGGKSINSA-N 1 3 373.322 0.513 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)C1(N)CC(F)C1)C2 ZINC001158383424 850043908 /nfs/dbraw/zinc/04/39/08/850043908.db2.gz PIJYBXHDPKADKC-ZJQYWARXSA-N 1 3 367.343 0.359 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](N)C(C)(C)C)C2 ZINC001158386662 850044395 /nfs/dbraw/zinc/04/43/95/850044395.db2.gz ZWRHKSXLXPAJOW-VQISRLSMSA-N 1 3 365.396 0.903 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc(=O)n3ccsc3n2)CC[N@@H+]1C ZINC001158428581 850048642 /nfs/dbraw/zinc/04/86/42/850048642.db2.gz JWDDBOXDUBSYAV-TZMCWYRMSA-N 1 3 363.487 0.692 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc(=O)n3ccsc3n2)CC[N@H+]1C ZINC001158428581 850048647 /nfs/dbraw/zinc/04/86/47/850048647.db2.gz JWDDBOXDUBSYAV-TZMCWYRMSA-N 1 3 363.487 0.692 20 0 FCADHO CN1CCC(N(c2ncc(S(N)(=O)=O)cc2F)C2CC[NH2+]CC2)CC1 ZINC001158590923 850061631 /nfs/dbraw/zinc/06/16/31/850061631.db2.gz MISOLYWBPPKPFZ-UHFFFAOYSA-N 1 3 371.482 0.521 20 0 FCADHO CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160148580 850155193 /nfs/dbraw/zinc/15/51/93/850155193.db2.gz WVHWOLFDPFTTPT-GFCCVEGCSA-N 1 3 367.519 0.522 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160191132 850158210 /nfs/dbraw/zinc/15/82/10/850158210.db2.gz HRUUKOBTFJNQGM-XPCVCDNBSA-N 1 3 354.520 0.159 20 0 FCADHO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160271692 850163749 /nfs/dbraw/zinc/16/37/49/850163749.db2.gz WRVIMYSWFKNZRO-CABCVRRESA-N 1 3 354.495 0.176 20 0 FCADHO COCCN(C(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C1CCN(C)CC1 ZINC001160441728 850173246 /nfs/dbraw/zinc/17/32/46/850173246.db2.gz WZQCUMSOSCMVJX-FUHWJXTLSA-N 1 3 352.523 0.630 20 0 FCADHO NCCN=c1ccc(Br)cn1-c1ncnc2c1CC[NH2+]CC2 ZINC001160967705 850216724 /nfs/dbraw/zinc/21/67/24/850216724.db2.gz ANQKGZLGVYLHDO-UHFFFAOYSA-N 1 3 363.263 0.577 20 0 FCADHO CN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001161072769 850227874 /nfs/dbraw/zinc/22/78/74/850227874.db2.gz GBCHZTDSKHOMQR-NSHDSACASA-N 1 3 352.401 0.763 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161317665 850252238 /nfs/dbraw/zinc/25/22/38/850252238.db2.gz RMYQYABTUGQKRT-YDHLFZDLSA-N 1 3 355.483 0.040 20 0 FCADHO COc1cccc(OC2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)n1 ZINC001161318764 850252263 /nfs/dbraw/zinc/25/22/63/850252263.db2.gz YXHXMBFBDYVRFX-ZDUSSCGKSA-N 1 3 354.476 0.479 20 0 FCADHO [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161423744 850258687 /nfs/dbraw/zinc/25/86/87/850258687.db2.gz LXXHIIFXLZWHNZ-HZPDHXFCSA-N 1 3 362.499 0.280 20 0 FCADHO N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423744 850258694 /nfs/dbraw/zinc/25/86/94/850258694.db2.gz LXXHIIFXLZWHNZ-HZPDHXFCSA-N 1 3 362.499 0.280 20 0 FCADHO N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423744 850258702 /nfs/dbraw/zinc/25/87/02/850258702.db2.gz LXXHIIFXLZWHNZ-HZPDHXFCSA-N 1 3 362.499 0.280 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520408 850266273 /nfs/dbraw/zinc/26/62/73/850266273.db2.gz NAQOWQDHNAIFGW-NEPJUHHUSA-N 1 3 354.252 0.228 20 0 FCADHO CS(=O)(=O)N1CCN(c2cccc(N[C@H]3CCC[C@H]([NH3+])C3)n2)CC1 ZINC001162391570 850312860 /nfs/dbraw/zinc/31/28/60/850312860.db2.gz BZEMKWDKPAQBFP-KBPBESRZSA-N 1 3 353.492 0.845 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813655 862116568 /nfs/dbraw/zinc/11/65/68/862116568.db2.gz QZFTUNRONOZSLF-SFHVURJKSA-N 1 3 353.507 0.794 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CC3(O)CCOCC3)CC2)C1=O ZINC001277813655 862116576 /nfs/dbraw/zinc/11/65/76/862116576.db2.gz QZFTUNRONOZSLF-SFHVURJKSA-N 1 3 353.507 0.794 20 0 FCADHO Clc1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c2c(n1)CNCC2 ZINC001165345103 850436516 /nfs/dbraw/zinc/43/65/16/850436516.db2.gz IAGVAVGYZGDPGT-KRWDZBQOSA-N 1 3 352.866 0.966 20 0 FCADHO CS(=O)(=O)N(C1CCN(CC2CC2)CC1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001168378665 850585005 /nfs/dbraw/zinc/58/50/05/850585005.db2.gz PMDQFSRQSJSTDD-JQHSSLGASA-N 1 3 371.547 0.889 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@@H](NS(=O)(=O)c1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001169125767 850605732 /nfs/dbraw/zinc/60/57/32/850605732.db2.gz KZAAWHSCBMCZAM-ACHSLPGTSA-N 1 3 364.515 1.000 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ncn3c1C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169131732 850606327 /nfs/dbraw/zinc/60/63/27/850606327.db2.gz YJDLRPJFWLBFHE-FICVDOATSA-N 1 3 367.519 0.763 20 0 FCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C)C1CC1 ZINC001178731594 850921148 /nfs/dbraw/zinc/92/11/48/850921148.db2.gz YYVZNAABWVOMMB-WTTBNOFXSA-N 1 3 350.507 0.917 20 0 FCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C)C1CC1 ZINC001178731594 850921155 /nfs/dbraw/zinc/92/11/55/850921155.db2.gz YYVZNAABWVOMMB-WTTBNOFXSA-N 1 3 350.507 0.917 20 0 FCADHO C=C(F)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001180119391 851014376 /nfs/dbraw/zinc/01/43/76/851014376.db2.gz UCKKAZOLOPYRPD-UNPMEBSKSA-N 1 3 361.458 0.765 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923219 851843508 /nfs/dbraw/zinc/84/35/08/851843508.db2.gz LXGKWAJIHFSXHN-YESZJQIVSA-N 1 3 350.507 0.870 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189923219 851843513 /nfs/dbraw/zinc/84/35/13/851843513.db2.gz LXGKWAJIHFSXHN-YESZJQIVSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447363 852429372 /nfs/dbraw/zinc/42/93/72/852429372.db2.gz PKIKIYLWVPTUIG-BRWVUGGUSA-N 1 3 359.486 0.644 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001193447363 852429374 /nfs/dbraw/zinc/42/93/74/852429374.db2.gz PKIKIYLWVPTUIG-BRWVUGGUSA-N 1 3 359.486 0.644 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775845 853160580 /nfs/dbraw/zinc/16/05/80/853160580.db2.gz OJRSIYAHVJVUIT-MGPQQGTHSA-N 1 3 367.412 0.459 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775845 853160587 /nfs/dbraw/zinc/16/05/87/853160587.db2.gz OJRSIYAHVJVUIT-MGPQQGTHSA-N 1 3 367.412 0.459 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001198729488 853307708 /nfs/dbraw/zinc/30/77/08/853307708.db2.gz OQEJINYEGIIGTF-KZNAEPCWSA-N 1 3 353.507 0.983 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001198729718 853309210 /nfs/dbraw/zinc/30/92/10/853309210.db2.gz YWZXSJZEAKPDGO-RCCFBDPRSA-N 1 3 353.507 0.840 20 0 FCADHO CCCN(C)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205516828 853619339 /nfs/dbraw/zinc/61/93/39/853619339.db2.gz XJIPGUSVKILCBD-YESZJQIVSA-N 1 3 353.507 0.648 20 0 FCADHO COCCN1CCN(C)C2(CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001208610966 853960125 /nfs/dbraw/zinc/96/01/25/853960125.db2.gz SLGOTNRQUYLVSO-QGZVFWFLSA-N 1 3 352.523 0.583 20 0 FCADHO COCCN1CCN(C)C2(CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208610966 853960126 /nfs/dbraw/zinc/96/01/26/853960126.db2.gz SLGOTNRQUYLVSO-QGZVFWFLSA-N 1 3 352.523 0.583 20 0 FCADHO CC[C@H](CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1)OC ZINC001213638554 854694520 /nfs/dbraw/zinc/69/45/20/854694520.db2.gz UBSCPSQLNZHQSP-DJIMGWMZSA-N 1 3 357.495 0.338 20 0 FCADHO CO[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213859782 854795076 /nfs/dbraw/zinc/79/50/76/854795076.db2.gz KOAWXCDOBTWPNX-BFHYXJOUSA-N 1 3 367.412 0.723 20 0 FCADHO CO[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213859782 854795080 /nfs/dbraw/zinc/79/50/80/854795080.db2.gz KOAWXCDOBTWPNX-BFHYXJOUSA-N 1 3 367.412 0.723 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001214336256 854927585 /nfs/dbraw/zinc/92/75/85/854927585.db2.gz ZSGXIDNKXLQIOK-JHJVBQTASA-N 1 3 364.412 0.538 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001214845407 855021796 /nfs/dbraw/zinc/02/17/96/855021796.db2.gz RWLGVMGLTPBOGQ-OWCLPIDISA-N 1 3 359.536 0.445 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001214845407 855021802 /nfs/dbraw/zinc/02/18/02/855021802.db2.gz RWLGVMGLTPBOGQ-OWCLPIDISA-N 1 3 359.536 0.445 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845555 855022122 /nfs/dbraw/zinc/02/21/22/855022122.db2.gz ZFWLVSDHXYUGSI-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845555 855022125 /nfs/dbraw/zinc/02/21/25/855022125.db2.gz ZFWLVSDHXYUGSI-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214856081 855025005 /nfs/dbraw/zinc/02/50/05/855025005.db2.gz XDTNVWLLPDTVOQ-KYJSFNMBSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214863400 855025620 /nfs/dbraw/zinc/02/56/20/855025620.db2.gz LGVWHFDNGAWYQH-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001214997554 855049809 /nfs/dbraw/zinc/04/98/09/855049809.db2.gz JNTCNPMPLABXHR-HUUCEWRRSA-N 1 3 355.527 0.861 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184589 855078922 /nfs/dbraw/zinc/07/89/22/855078922.db2.gz KJNVXTYWZFYULB-LDBBTLTOSA-N 1 3 351.491 0.713 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215224031 855083088 /nfs/dbraw/zinc/08/30/88/855083088.db2.gz FIUHBVCUQQBWIQ-KYJSFNMBSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCc1ccco1 ZINC001215458852 855117189 /nfs/dbraw/zinc/11/71/89/855117189.db2.gz NETSAEQNVSAAOF-IJEWVQPXSA-N 1 3 350.463 0.673 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001215999243 855164151 /nfs/dbraw/zinc/16/41/51/855164151.db2.gz WNFFBVZTGGGZJB-HUUCEWRRSA-N 1 3 355.527 0.862 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001216495005 855208455 /nfs/dbraw/zinc/20/84/55/855208455.db2.gz VAMMXKKGMPINQO-HZPDHXFCSA-N 1 3 356.511 0.308 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001216495005 855208461 /nfs/dbraw/zinc/20/84/61/855208461.db2.gz VAMMXKKGMPINQO-HZPDHXFCSA-N 1 3 356.511 0.308 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001216772656 855238091 /nfs/dbraw/zinc/23/80/91/855238091.db2.gz IHVSFKUNJHMXIY-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1NCCS(C)(=O)=O ZINC001216840964 855254351 /nfs/dbraw/zinc/25/43/51/855254351.db2.gz KTAMAQIKENYGKZ-RHSMWYFYSA-N 1 3 367.515 0.843 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001216844878 855256430 /nfs/dbraw/zinc/25/64/30/855256430.db2.gz MRHJAEQLRACDFZ-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216844945 855256958 /nfs/dbraw/zinc/25/69/58/855256958.db2.gz PXUAYHFQQQEWTG-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217950319 855384754 /nfs/dbraw/zinc/38/47/54/855384754.db2.gz YROJHOFDACJRSV-NXEZZACHSA-N 1 3 356.398 0.230 20 0 FCADHO CCOC(=O)c1sc(SC)nc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218632883 855453844 /nfs/dbraw/zinc/45/38/44/855453844.db2.gz CNKAASWOUXQVHI-MRVPVSSYSA-N 1 3 356.473 0.789 20 0 FCADHO CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218649923 855457611 /nfs/dbraw/zinc/45/76/11/855457611.db2.gz LMJVCIIZPLNUIC-ZETCQYMHSA-N 1 3 374.228 0.708 20 0 FCADHO C[C@@H](COCC(=O)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21)[NH+]1CCCC1 ZINC001218650704 855458589 /nfs/dbraw/zinc/45/85/89/855458589.db2.gz IBPGSTQKQZYDER-RYQLBKOJSA-N 1 3 351.491 0.809 20 0 FCADHO N[C@H](C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218698669 855466519 /nfs/dbraw/zinc/46/65/19/855466519.db2.gz KNQLCGZMEIKVDY-HNNXBMFYSA-N 1 3 353.854 0.837 20 0 FCADHO CN(C)CCn1nccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001218848137 855485625 /nfs/dbraw/zinc/48/56/25/855485625.db2.gz DDWUIPZMKHKKOL-UHFFFAOYSA-N 1 3 351.499 0.592 20 0 FCADHO C[NH+](C)CCNC(=O)[C@@H](N)Cc1ccc(I)cc1 ZINC001219554304 855711637 /nfs/dbraw/zinc/71/16/37/855711637.db2.gz ZZBHWEUXALXYHT-LBPRGKRZSA-N 1 3 361.227 0.839 20 0 FCADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc2c1CCNC2 ZINC001219844740 855843267 /nfs/dbraw/zinc/84/32/67/855843267.db2.gz QKLONFNMJQDXRU-SJKOYZFVSA-N 1 3 351.472 0.519 20 0 FCADHO Cc1nn(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C)c1Br ZINC001219996826 855910720 /nfs/dbraw/zinc/91/07/20/855910720.db2.gz CNYHZYSKQALLGR-IUODEOHRSA-N 1 3 370.295 0.578 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]2O)CCCC1 ZINC001220077929 855948870 /nfs/dbraw/zinc/94/88/70/855948870.db2.gz BSFABRXFLOVNCE-BBWFWOEESA-N 1 3 353.507 0.981 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161285 855988034 /nfs/dbraw/zinc/98/80/34/855988034.db2.gz BGSRFHGIVJEBRY-MOROJQBDSA-N 1 3 352.479 0.336 20 0 FCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001220335226 856071094 /nfs/dbraw/zinc/07/10/94/856071094.db2.gz JWBRBVRXOPOELV-ILXRZTDVSA-N 1 3 354.495 0.534 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387757 856100764 /nfs/dbraw/zinc/10/07/64/856100764.db2.gz POTAHNCMRQBPIT-ZACQAIPSSA-N 1 3 357.495 0.075 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)CCNC1 ZINC001220522590 856166072 /nfs/dbraw/zinc/16/60/72/856166072.db2.gz AOOSSWFGBLAVDC-CJNGLKHVSA-N 1 3 350.463 0.130 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611429 856206116 /nfs/dbraw/zinc/20/61/16/856206116.db2.gz XFGWKKZHTMMKOI-ZBUHCNDUSA-N 1 3 362.293 0.661 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H](C)CC(C)(C)CC[NH3+])COC1(C)C ZINC001220766346 856288032 /nfs/dbraw/zinc/28/80/32/856288032.db2.gz QNRMSXJJXGRCFZ-IHRRRGAJSA-N 1 3 356.511 0.815 20 0 FCADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220772200 856292334 /nfs/dbraw/zinc/29/23/34/856292334.db2.gz KMSZJLTWMXIYBS-LSDHHAIUSA-N 1 3 353.467 0.116 20 0 FCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898276 856363050 /nfs/dbraw/zinc/36/30/50/856363050.db2.gz DPDCDORMUSJMEM-DOTOQJQBSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(CNC(=O)[C@@H]1CC[NH2+]C[C@H]1F)N1CCN(C2CCCCC2)CC1 ZINC001220900993 856364278 /nfs/dbraw/zinc/36/42/78/856364278.db2.gz ROYBLINWXKRBNI-HZPDHXFCSA-N 1 3 354.470 0.527 20 0 FCADHO NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)C1(N)CC1 ZINC001221341141 856552712 /nfs/dbraw/zinc/55/27/12/856552712.db2.gz ONNDQCXNFGUAEQ-ZDUSSCGKSA-N 1 3 363.487 0.767 20 0 FCADHO C[C@@H](N)C(=O)N(CCC[C@H](N)C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341644 856552934 /nfs/dbraw/zinc/55/29/34/856552934.db2.gz VYNMJVRGFZCCSV-YPMHNXCESA-N 1 3 351.476 0.623 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001226782317 857126079 /nfs/dbraw/zinc/12/60/79/857126079.db2.gz KNIOYQOGGHUIIO-MCIONIFRSA-N 1 3 350.463 0.293 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O)C1CCC1 ZINC001226817691 857127664 /nfs/dbraw/zinc/12/76/64/857127664.db2.gz HQMMTEZCYVWEGD-HZPDHXFCSA-N 1 3 359.536 0.922 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226941819 857133024 /nfs/dbraw/zinc/13/30/24/857133024.db2.gz HZOCBXDHHJSCCU-NFAWXSAZSA-N 1 3 355.483 0.045 20 0 FCADHO CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001227614282 857166913 /nfs/dbraw/zinc/16/69/13/857166913.db2.gz XCXYJSVMRHOULN-CBYDULDESA-N 1 3 351.491 0.903 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001228354947 857205769 /nfs/dbraw/zinc/20/57/69/857205769.db2.gz FFCVVZHFJWAGRH-BZUAXINKSA-N 1 3 354.495 0.108 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001229860356 857290225 /nfs/dbraw/zinc/29/02/25/857290225.db2.gz SHYKWYUQVJGFJG-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NS(=O)(=O)CCN ZINC001237985177 857460466 /nfs/dbraw/zinc/46/04/66/857460466.db2.gz HYEGWEURHBEEIJ-UHFFFAOYSA-N 1 3 356.492 0.926 20 0 FCADHO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238240366 857465203 /nfs/dbraw/zinc/46/52/03/857465203.db2.gz HRWOXZOXFCDEPY-CQSZACIVSA-N 1 3 367.471 0.626 20 0 FCADHO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238240366 857465210 /nfs/dbraw/zinc/46/52/10/857465210.db2.gz HRWOXZOXFCDEPY-CQSZACIVSA-N 1 3 367.471 0.626 20 0 FCADHO [NH3+]CCC[C@H]([N-]S(=O)(=O)[C@@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238839155 857483967 /nfs/dbraw/zinc/48/39/67/857483967.db2.gz CDRCXBGSWGJBBH-CABCVRRESA-N 1 3 355.460 0.119 20 0 FCADHO NCCC[NH2+]CCCNS(=O)(=O)c1cncc(Br)c1 ZINC001238879862 857485636 /nfs/dbraw/zinc/48/56/36/857485636.db2.gz XQJPGWLNMHDWGC-UHFFFAOYSA-N 1 3 351.270 0.451 20 0 FCADHO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C[C@@H]4CCCN(C)C4)[C@@H]3C2)c1 ZINC001279502043 862919831 /nfs/dbraw/zinc/91/98/31/862919831.db2.gz MHGSMEQHKCAEPB-OWCLPIDISA-N 1 3 367.519 0.457 20 0 FCADHO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C[C@@H]4CCCN(C)C4)[C@@H]3C2)c1 ZINC001279502043 862919842 /nfs/dbraw/zinc/91/98/42/862919842.db2.gz MHGSMEQHKCAEPB-OWCLPIDISA-N 1 3 367.519 0.457 20 0 FCADHO CN(C)C(=O)CN1CCO[C@]2(CCCN(C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502431 862920020 /nfs/dbraw/zinc/92/00/20/862920020.db2.gz QRKBWVCOGHQYHO-MJGOQNOKSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)C(=O)CN1CCO[C@]2(CCCN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502431 862920029 /nfs/dbraw/zinc/92/00/29/862920029.db2.gz QRKBWVCOGHQYHO-MJGOQNOKSA-N 1 3 352.523 0.583 20 0 FCADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCC(N3CCC([NH3+])CC3)CC2)CN1 ZINC001246963191 857607913 /nfs/dbraw/zinc/60/79/13/857607913.db2.gz GVACNYBFOMWWIM-IRXDYDNUSA-N 1 3 352.523 0.946 20 0 FCADHO CCOC(=O)[C@H]1CN([C@H]2CC[C@@H](C(=O)OCC)NC2)CCC12C[NH2+]C2 ZINC001247010945 857609472 /nfs/dbraw/zinc/60/94/72/857609472.db2.gz WWZHPJCDFUXBER-ZNMIVQPWSA-N 1 3 353.463 0.145 20 0 FCADHO COC[C@@H](O)CN1CCC([NH+]2CCC(N3CCN(C)CC3)CC2)CC1 ZINC001252819474 857844346 /nfs/dbraw/zinc/84/43/46/857844346.db2.gz ORNABEDYZWETKR-IBGZPJMESA-N 1 3 354.539 0.170 20 0 FCADHO CCN(CC)C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001253209051 857872851 /nfs/dbraw/zinc/87/28/51/857872851.db2.gz WHNNCFHCYHYAEL-ARFHVFGLSA-N 1 3 359.511 0.897 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@H]3CCC[N@H+](C)CC3)CC2)C1=O ZINC001254518703 857975540 /nfs/dbraw/zinc/97/55/40/857975540.db2.gz DCLPNMYNWGWMDM-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO COCCN1CCN(C)C2(CCN([C@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254518703 857975542 /nfs/dbraw/zinc/97/55/42/857975542.db2.gz DCLPNMYNWGWMDM-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO COC(=O)[C@@H](C[NH3+])CN[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803439 857986537 /nfs/dbraw/zinc/98/65/37/857986537.db2.gz BELBVWYUSVLBRZ-STQMWFEESA-N 1 3 357.451 0.492 20 0 FCADHO CC(C)CN1CCC([N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)CC1 ZINC001258015563 858173250 /nfs/dbraw/zinc/17/32/50/858173250.db2.gz WTKUBLINMMOICH-IRXDYDNUSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)CN1CCC([N@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)CC1 ZINC001258015563 858173252 /nfs/dbraw/zinc/17/32/52/858173252.db2.gz WTKUBLINMMOICH-IRXDYDNUSA-N 1 3 350.507 0.870 20 0 FCADHO COCCc1ccc(OC[C@H](O)C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC001262567661 859002271 /nfs/dbraw/zinc/00/22/71/859002271.db2.gz ZLGPGIKVVCINTJ-QGZVFWFLSA-N 1 3 352.475 0.662 20 0 FCADHO N[C@@H](CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)Cc1cc(F)c(F)cc1F ZINC001263172981 859116806 /nfs/dbraw/zinc/11/68/06/859116806.db2.gz MKXSSWULDBLNDL-QLJPJBMISA-N 1 3 356.348 0.359 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]2C1 ZINC001264099754 859312577 /nfs/dbraw/zinc/31/25/77/859312577.db2.gz NLFYFIKBAOJWOI-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCNC(=O)C3CC3)C[C@H]2C1 ZINC001264099754 859312588 /nfs/dbraw/zinc/31/25/88/859312588.db2.gz NLFYFIKBAOJWOI-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001268198114 859525322 /nfs/dbraw/zinc/52/53/22/859525322.db2.gz RGDWYQSOIZWJCS-NVXWUHKLSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001268198114 859525335 /nfs/dbraw/zinc/52/53/35/859525335.db2.gz RGDWYQSOIZWJCS-NVXWUHKLSA-N 1 3 352.523 0.975 20 0 FCADHO CN(C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001270489295 859770237 /nfs/dbraw/zinc/77/02/37/859770237.db2.gz FVZWTOSDWXBJNH-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001270489295 859770242 /nfs/dbraw/zinc/77/02/42/859770242.db2.gz FVZWTOSDWXBJNH-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652524 859986893 /nfs/dbraw/zinc/98/68/93/859986893.db2.gz NLGFXOIYCZSHKH-VQIMIIECSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652524 859986896 /nfs/dbraw/zinc/98/68/96/859986896.db2.gz NLGFXOIYCZSHKH-VQIMIIECSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001273318269 860449131 /nfs/dbraw/zinc/44/91/31/860449131.db2.gz ZXPMFPHEWVLNPH-KRWDZBQOSA-N 1 3 350.507 0.872 20 0 FCADHO COC(C)(C)CCN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001279825705 863084661 /nfs/dbraw/zinc/08/46/61/863084661.db2.gz XQLSZSTXGALGKU-LSDHHAIUSA-N 1 3 352.479 0.699 20 0 FCADHO C[NH+]1CCC(CCN2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280140363 863290152 /nfs/dbraw/zinc/29/01/52/863290152.db2.gz JGOVBZWDHWBGPW-JKSUJKDBSA-N 1 3 350.463 0.168 20 0 FCADHO CN1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)C1 ZINC001280256196 863363157 /nfs/dbraw/zinc/36/31/57/863363157.db2.gz BOAIVKFMTXKQMN-RDJZCZTQSA-N 1 3 351.491 0.429 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001281617238 863542449 /nfs/dbraw/zinc/54/24/49/863542449.db2.gz CXDDNEZMKLWCSO-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001281617238 863542454 /nfs/dbraw/zinc/54/24/54/863542454.db2.gz CXDDNEZMKLWCSO-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001281848401 863818919 /nfs/dbraw/zinc/81/89/19/863818919.db2.gz SSUGEPFMHGWYMR-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3nnc(N)o3)CC2)CC1 ZINC001296500412 865971809 /nfs/dbraw/zinc/97/18/09/865971809.db2.gz IEWKUVFDYKXCJY-UHFFFAOYSA-N 1 3 350.467 0.507 20 0 FCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458403 867427785 /nfs/dbraw/zinc/42/77/85/867427785.db2.gz REOMPSFHCSWAFJ-CVEARBPZSA-N 1 3 354.495 0.291 20 0 FCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759777 867459855 /nfs/dbraw/zinc/45/98/55/867459855.db2.gz JKUGWDVUFUXGAF-IKGGRYGDSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@H](O)CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001317819175 867561282 /nfs/dbraw/zinc/56/12/82/867561282.db2.gz SKHFMGASELCQCV-RCCFBDPRSA-N 1 3 354.539 0.564 20 0 FCADHO C[C@H](O)CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001317819175 867561300 /nfs/dbraw/zinc/56/13/00/867561300.db2.gz SKHFMGASELCQCV-RCCFBDPRSA-N 1 3 354.539 0.564 20 0 FCADHO CC(C)N1CC[NH+](C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 ZINC001319644984 867971652 /nfs/dbraw/zinc/97/16/52/867971652.db2.gz BFNFEDYFEDTPFI-UHFFFAOYSA-N 1 3 351.539 0.251 20 0 FCADHO CC(C)[NH+]1CCN(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 ZINC001319644984 867971665 /nfs/dbraw/zinc/97/16/65/867971665.db2.gz BFNFEDYFEDTPFI-UHFFFAOYSA-N 1 3 351.539 0.251 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cnn(C(C)(C)C)c2)CC[N@@H+]1C ZINC001320231249 868115561 /nfs/dbraw/zinc/11/55/61/868115561.db2.gz LGNBDKJQTCQGSH-VNQPRFMTSA-N 1 3 351.495 0.545 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cnn(C(C)(C)C)c2)CC[N@H+]1C ZINC001320231249 868115570 /nfs/dbraw/zinc/11/55/70/868115570.db2.gz LGNBDKJQTCQGSH-VNQPRFMTSA-N 1 3 351.495 0.545 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC001325386493 869871225 /nfs/dbraw/zinc/87/12/25/869871225.db2.gz RGCFCRZINOAQFU-ZFWWWQNUSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@](C[NH3+])(NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC001329491486 872064578 /nfs/dbraw/zinc/06/45/78/872064578.db2.gz TVDSUSQPIZTEOP-KRWDZBQOSA-N 1 3 368.503 0.100 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001336647821 874023501 /nfs/dbraw/zinc/02/35/01/874023501.db2.gz JXFLIPPHKUYGPR-UHFFFAOYSA-N 1 3 350.507 0.827 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574956752 949589009 /nfs/dbraw/zinc/58/90/09/949589009.db2.gz MXWIAOLZSQGZKB-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574956752 949589019 /nfs/dbraw/zinc/58/90/19/949589019.db2.gz MXWIAOLZSQGZKB-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574956752 949589033 /nfs/dbraw/zinc/58/90/33/949589033.db2.gz MXWIAOLZSQGZKB-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574956752 949589039 /nfs/dbraw/zinc/58/90/39/949589039.db2.gz MXWIAOLZSQGZKB-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CC[NH+](C)C ZINC001575106551 951905310 /nfs/dbraw/zinc/90/53/10/951905310.db2.gz SATWQFNFQYLKLO-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CC[NH+](C)C ZINC001575106551 951905317 /nfs/dbraw/zinc/90/53/17/951905317.db2.gz SATWQFNFQYLKLO-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106843 951906836 /nfs/dbraw/zinc/90/68/36/951906836.db2.gz VJAVIAIEMTXCNI-XJKSGUPXSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106843 951906842 /nfs/dbraw/zinc/90/68/42/951906842.db2.gz VJAVIAIEMTXCNI-XJKSGUPXSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106843 951906848 /nfs/dbraw/zinc/90/68/48/951906848.db2.gz VJAVIAIEMTXCNI-XJKSGUPXSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106843 951906857 /nfs/dbraw/zinc/90/68/57/951906857.db2.gz VJAVIAIEMTXCNI-XJKSGUPXSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106837 951907155 /nfs/dbraw/zinc/90/71/55/951907155.db2.gz VJAVIAIEMTXCNI-BBRMVZONSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106837 951907166 /nfs/dbraw/zinc/90/71/66/951907166.db2.gz VJAVIAIEMTXCNI-BBRMVZONSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106837 951907189 /nfs/dbraw/zinc/90/71/89/951907189.db2.gz VJAVIAIEMTXCNI-BBRMVZONSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106837 951907201 /nfs/dbraw/zinc/90/72/01/951907201.db2.gz VJAVIAIEMTXCNI-BBRMVZONSA-N 1 3 357.462 0.660 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571105132 952389747 /nfs/dbraw/zinc/38/97/47/952389747.db2.gz IKRNJQWXCCTITR-WFASDCNBSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571105132 952389751 /nfs/dbraw/zinc/38/97/51/952389751.db2.gz IKRNJQWXCCTITR-WFASDCNBSA-N 1 3 373.436 0.648 20 0 FCADHO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000291474036 214036824 /nfs/dbraw/zinc/03/68/24/214036824.db2.gz POMGRRJLHJZAPW-FGTMMUONSA-N 1 3 366.531 0.883 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961735 529797388 /nfs/dbraw/zinc/79/73/88/529797388.db2.gz IUSAIBMWFLCGDA-MVJTYMMSSA-N 1 3 360.502 0.624 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961735 529797389 /nfs/dbraw/zinc/79/73/89/529797389.db2.gz IUSAIBMWFLCGDA-MVJTYMMSSA-N 1 3 360.502 0.624 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410843289 529861564 /nfs/dbraw/zinc/86/15/64/529861564.db2.gz MOJCDMNRDOPGQW-MRXNPFEDSA-N 1 3 350.507 0.729 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410843289 529861565 /nfs/dbraw/zinc/86/15/65/529861565.db2.gz MOJCDMNRDOPGQW-MRXNPFEDSA-N 1 3 350.507 0.729 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000410491921 529865237 /nfs/dbraw/zinc/86/52/37/529865237.db2.gz INOWZVSRNPYHSC-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1=CCN(C)CC1 ZINC000331536829 215011753 /nfs/dbraw/zinc/01/17/53/215011753.db2.gz DRBYDSYCHOJNHG-MAUKXSAKSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331590619 215020308 /nfs/dbraw/zinc/02/03/08/215020308.db2.gz YGWYELDJCOSBNB-VVLHAWIVSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331590619 215020310 /nfs/dbraw/zinc/02/03/10/215020310.db2.gz YGWYELDJCOSBNB-VVLHAWIVSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691997 215034887 /nfs/dbraw/zinc/03/48/87/215034887.db2.gz VDWBQRSAUHCODY-VKJFTORMSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691997 215034890 /nfs/dbraw/zinc/03/48/90/215034890.db2.gz VDWBQRSAUHCODY-VKJFTORMSA-N 1 3 368.547 0.483 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331860144 215058011 /nfs/dbraw/zinc/05/80/11/215058011.db2.gz BFQOXSXYKXLTLX-JONQDZQNSA-N 1 3 350.507 0.809 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000332341679 215134324 /nfs/dbraw/zinc/13/43/24/215134324.db2.gz XFHHVGGNAVXKLP-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000332450656 215153924 /nfs/dbraw/zinc/15/39/24/215153924.db2.gz FIEKBNMDCKGGBU-OFLPRAFFSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000332522708 215167984 /nfs/dbraw/zinc/16/79/84/215167984.db2.gz QEVLXXKUPVEADB-KRWDZBQOSA-N 1 3 366.506 0.252 20 0 FCADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000333295020 215259304 /nfs/dbraw/zinc/25/93/04/215259304.db2.gz JTGUJDPKKUALGP-INIZCTEOSA-N 1 3 359.478 0.978 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000333300278 215261088 /nfs/dbraw/zinc/26/10/88/215261088.db2.gz BTPWQJBPTZTVBW-OAHLLOKOSA-N 1 3 351.495 0.419 20 0 FCADHO CS[C@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1N(C)C ZINC000333365829 215270990 /nfs/dbraw/zinc/27/09/90/215270990.db2.gz UIHCSXBWUILSGO-KBPBESRZSA-N 1 3 365.507 0.396 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333405211 215277138 /nfs/dbraw/zinc/27/71/38/215277138.db2.gz ZERUPMHZVMSAIZ-CVEARBPZSA-N 1 3 359.478 0.977 20 0 FCADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333618509 215302613 /nfs/dbraw/zinc/30/26/13/215302613.db2.gz RIHQFWFSOZTGRT-HRCADAONSA-N 1 3 350.507 0.871 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333871747 215327618 /nfs/dbraw/zinc/32/76/18/215327618.db2.gz BVBHKTGXGHBNNK-BRWVUGGUSA-N 1 3 365.522 0.570 20 0 FCADHO CN(CCNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000284415421 213133732 /nfs/dbraw/zinc/13/37/32/213133732.db2.gz JUQMCSXPOROSLA-UHFFFAOYSA-N 1 3 362.474 0.454 20 0 FCADHO C[C@H](CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)[N@H+](C)C1CC1 ZINC000413253312 237303033 /nfs/dbraw/zinc/30/30/33/237303033.db2.gz UPKJXQOPOGVIRN-MRXNPFEDSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@H](CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000413253312 237303039 /nfs/dbraw/zinc/30/30/39/237303039.db2.gz UPKJXQOPOGVIRN-MRXNPFEDSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366871669 216044842 /nfs/dbraw/zinc/04/48/42/216044842.db2.gz VBSSEVKQSXJLFO-HNNXBMFYSA-N 1 3 350.507 0.907 20 0 FCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246619865 209392965 /nfs/dbraw/zinc/39/29/65/209392965.db2.gz FBLKFSBBCGZASQ-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246619865 209392967 /nfs/dbraw/zinc/39/29/67/209392967.db2.gz FBLKFSBBCGZASQ-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CNCCO1 ZINC000238018232 209361961 /nfs/dbraw/zinc/36/19/61/209361961.db2.gz BVZPSKXJUYXRDR-IBGZPJMESA-N 1 3 360.502 0.689 20 0 FCADHO C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237559784 209354210 /nfs/dbraw/zinc/35/42/10/209354210.db2.gz QVEINRBTHCFFGG-MRXNPFEDSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188748925 209239254 /nfs/dbraw/zinc/23/92/54/209239254.db2.gz JWQPIZADFOBVEI-GJZGRUSLSA-N 1 3 360.506 0.686 20 0 FCADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)N(C)C ZINC000414685532 245311525 /nfs/dbraw/zinc/31/15/25/245311525.db2.gz ZOCSGAMQHOTZLR-GOEBONIOSA-N 1 3 361.490 0.929 20 0 FCADHO COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414751956 245319571 /nfs/dbraw/zinc/31/95/71/245319571.db2.gz BCGVGGOKBOKJPQ-INIZCTEOSA-N 1 3 363.458 0.868 20 0 FCADHO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414751956 245319576 /nfs/dbraw/zinc/31/95/76/245319576.db2.gz BCGVGGOKBOKJPQ-INIZCTEOSA-N 1 3 363.458 0.868 20 0 FCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000414908804 245328064 /nfs/dbraw/zinc/32/80/64/245328064.db2.gz DCNRQTNYRFXEHL-QGZVFWFLSA-N 1 3 350.488 0.898 20 0 FCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000414915430 245333003 /nfs/dbraw/zinc/33/30/03/245333003.db2.gz MTAWJMCVIABQBA-KRWDZBQOSA-N 1 3 350.488 0.898 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179936 217106276 /nfs/dbraw/zinc/10/62/76/217106276.db2.gz XEFODQXLUBKVGV-CVEARBPZSA-N 1 3 350.507 0.907 20 0 FCADHO COCCN1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000374606284 217147305 /nfs/dbraw/zinc/14/73/05/217147305.db2.gz UYONNZGEBVOGIJ-UHFFFAOYSA-N 1 3 367.494 0.003 20 0 FCADHO CCCN1CCC([N@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000182395495 209130489 /nfs/dbraw/zinc/13/04/89/209130489.db2.gz HKAXWUQNCGQDKP-UHFFFAOYSA-N 1 3 362.478 0.240 20 0 FCADHO CCCN1CCC([N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000182395495 209130493 /nfs/dbraw/zinc/13/04/93/209130493.db2.gz HKAXWUQNCGQDKP-UHFFFAOYSA-N 1 3 362.478 0.240 20 0 FCADHO C[C@H](CNC(=O)Cc1ccc(CC(=O)NC[C@@H](C)[NH+](C)C)cc1)N(C)C ZINC000274199138 211803960 /nfs/dbraw/zinc/80/39/60/211803960.db2.gz RHIKFZLEIAMZMU-HZPDHXFCSA-N 1 3 362.518 0.904 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000417501913 245703086 /nfs/dbraw/zinc/70/30/86/245703086.db2.gz ASDYKVAVTLYYKN-UHFFFAOYSA-N 1 3 363.506 0.374 20 0 FCADHO CS(=O)(=O)C1(C(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000375964594 217338965 /nfs/dbraw/zinc/33/89/65/217338965.db2.gz OCQBZNULOHQJCQ-OAHLLOKOSA-N 1 3 351.472 0.156 20 0 FCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000418823948 245849138 /nfs/dbraw/zinc/84/91/38/245849138.db2.gz ADAISNGBCJXXCU-BZUAXINKSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894345 245894634 /nfs/dbraw/zinc/89/46/34/245894634.db2.gz BAORBWOZXQDCPU-LSDHHAIUSA-N 1 3 368.522 0.986 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418955404 245925328 /nfs/dbraw/zinc/92/53/28/245925328.db2.gz XXSKUCPKNAIPFZ-USXIJHARSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419158811 246024921 /nfs/dbraw/zinc/02/49/21/246024921.db2.gz YIZOERTWGDQOKX-KGLIPLIRSA-N 1 3 352.504 0.930 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419132395 246006630 /nfs/dbraw/zinc/00/66/30/246006630.db2.gz HODWNBMKZSYTCD-KRWDZBQOSA-N 1 3 374.485 0.502 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132499 246007637 /nfs/dbraw/zinc/00/76/37/246007637.db2.gz BOGXWHZZSLRYMF-NVXWUHKLSA-N 1 3 362.474 0.247 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(C)CC1 ZINC000419162920 246025795 /nfs/dbraw/zinc/02/57/95/246025795.db2.gz VQEOOQRBVRSDOE-LTIDMASMSA-N 1 3 350.507 0.727 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419149225 246017896 /nfs/dbraw/zinc/01/78/96/246017896.db2.gz KWAYUIVUGRNEBQ-DLBZAZTESA-N 1 3 374.485 0.311 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168345 246031032 /nfs/dbraw/zinc/03/10/32/246031032.db2.gz RRFGVVZZACPOQZ-KRWDZBQOSA-N 1 3 362.474 0.119 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419173335 246031685 /nfs/dbraw/zinc/03/16/85/246031685.db2.gz SIXGTELMVYRWIU-XHSDSOJGSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172504 246032355 /nfs/dbraw/zinc/03/23/55/246032355.db2.gz ZCOIUJSVNAZQQG-DOTOQJQBSA-N 1 3 362.474 0.199 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419176468 246034646 /nfs/dbraw/zinc/03/46/46/246034646.db2.gz ZFQLJXNJRGDOGC-JKSUJKDBSA-N 1 3 354.495 0.333 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419175983 246034692 /nfs/dbraw/zinc/03/46/92/246034692.db2.gz YLFNHNOVGOVMSE-BRWVUGGUSA-N 1 3 368.522 0.722 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1(C)C ZINC000419179366 246037181 /nfs/dbraw/zinc/03/71/81/246037181.db2.gz IHVASKKZLVMSBY-HNNXBMFYSA-N 1 3 367.538 0.023 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419182516 246039201 /nfs/dbraw/zinc/03/92/01/246039201.db2.gz CGXVACVHEAIGMK-SFHVURJKSA-N 1 3 374.485 0.262 20 0 FCADHO O=C(NC1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419188151 246041413 /nfs/dbraw/zinc/04/14/13/246041413.db2.gz JVLFKKPGNCBZDU-GOSISDBHSA-N 1 3 358.486 0.678 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419216427 246059308 /nfs/dbraw/zinc/05/93/08/246059308.db2.gz PNSKAXJQBHYPEE-GDBMZVCRSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419216429 246060532 /nfs/dbraw/zinc/06/05/32/246060532.db2.gz PNSKAXJQBHYPEE-HOCLYGCPSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223462 246061883 /nfs/dbraw/zinc/06/18/83/246061883.db2.gz DAMBXHVHIMUISW-BPQIPLTHSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000419220647 246062246 /nfs/dbraw/zinc/06/22/46/246062246.db2.gz VEJHMRZHVUXSIB-WMLDXEAASA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419225192 246065348 /nfs/dbraw/zinc/06/53/48/246065348.db2.gz GRWNGDICVXLCKE-NXHRZFHOSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)[C@@H]1C[NH3+] ZINC000419224071 246065404 /nfs/dbraw/zinc/06/54/04/246065404.db2.gz FCMSWKJFXIIDPA-DJIMGWMZSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340330 246102520 /nfs/dbraw/zinc/10/25/20/246102520.db2.gz WMIZQHQLWDZTDH-DUOKCRBOSA-N 1 3 374.460 0.678 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)Cc2ccccc2C1 ZINC000419361044 246117836 /nfs/dbraw/zinc/11/78/36/246117836.db2.gz AREBVBHDTJFKMB-HXUWFJFHSA-N 1 3 372.513 0.708 20 0 FCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419363002 246117923 /nfs/dbraw/zinc/11/79/23/246117923.db2.gz CQGQKVUUGAHLJL-UHFFFAOYSA-N 1 3 360.502 0.836 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419362159 246118328 /nfs/dbraw/zinc/11/83/28/246118328.db2.gz BGCCWAZHHQDVEJ-RHSMWYFYSA-N 1 3 358.486 0.398 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000419364856 246118846 /nfs/dbraw/zinc/11/88/46/246118846.db2.gz FCDUKQGARYXTMX-INIZCTEOSA-N 1 3 372.513 0.789 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419372109 246121963 /nfs/dbraw/zinc/12/19/63/246121963.db2.gz KHGLQXWZFPKEMZ-MAUKXSAKSA-N 1 3 372.513 0.788 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H]1C[NH3+] ZINC000419372108 246123478 /nfs/dbraw/zinc/12/34/78/246123478.db2.gz KHGLQXWZFPKEMZ-CRAIPNDOSA-N 1 3 372.513 0.788 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC000419378693 246125635 /nfs/dbraw/zinc/12/56/35/246125635.db2.gz VMCIQOWZMLAGOF-UHFFFAOYSA-N 1 3 358.486 0.588 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402362 246136242 /nfs/dbraw/zinc/13/62/42/246136242.db2.gz CHTYJBZIGGTYLC-ZBFHGGJFSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402362 246136246 /nfs/dbraw/zinc/13/62/46/246136246.db2.gz CHTYJBZIGGTYLC-ZBFHGGJFSA-N 1 3 368.522 0.986 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419411930 246145514 /nfs/dbraw/zinc/14/55/14/246145514.db2.gz CDMUDLCLSWDKLB-RTBURBONSA-N 1 3 370.497 0.619 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419422813 246155439 /nfs/dbraw/zinc/15/54/39/246155439.db2.gz MQWZNLMEIAHCAB-HDICACEKSA-N 1 3 356.470 0.229 20 0 FCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419428502 246160314 /nfs/dbraw/zinc/16/03/14/246160314.db2.gz SWLCEOOYLQXIDK-SFHVURJKSA-N 1 3 358.486 0.891 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000419543584 246197110 /nfs/dbraw/zinc/19/71/10/246197110.db2.gz FWBFUNXZHXIBIE-UKRRQHHQSA-N 1 3 352.504 0.925 20 0 FCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419659014 246232725 /nfs/dbraw/zinc/23/27/25/246232725.db2.gz ZNPXLJBAFBPMNH-OIISXLGYSA-N 1 3 358.486 0.910 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H](CN)C1 ZINC000419659794 246234214 /nfs/dbraw/zinc/23/42/14/246234214.db2.gz AWQTUOJEAIGLNB-JKSUJKDBSA-N 1 3 356.511 0.576 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000419636158 246225852 /nfs/dbraw/zinc/22/58/52/246225852.db2.gz GWKMFRYDERVVGX-RBUKOAKNSA-N 1 3 370.497 0.930 20 0 FCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccccc1 ZINC000419652921 246231229 /nfs/dbraw/zinc/23/12/29/246231229.db2.gz QHNGMWJUHWSMMZ-CQSZACIVSA-N 1 3 350.463 0.012 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(C)C ZINC000419664394 246236966 /nfs/dbraw/zinc/23/69/66/246236966.db2.gz MESOFXHALIWVCU-CABCVRRESA-N 1 3 356.511 0.841 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000419664395 246237805 /nfs/dbraw/zinc/23/78/05/246237805.db2.gz MESOFXHALIWVCU-GJZGRUSLSA-N 1 3 356.511 0.841 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419669020 246240028 /nfs/dbraw/zinc/24/00/28/246240028.db2.gz YYNAZMZLOSJBCN-CQSZACIVSA-N 1 3 350.463 0.439 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C[C@@H]1C[NH3+] ZINC000419688981 246251972 /nfs/dbraw/zinc/25/19/72/246251972.db2.gz SHPLFTQHJAGONY-CVEARBPZSA-N 1 3 366.506 0.191 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](CN)C1 ZINC000419822156 246305300 /nfs/dbraw/zinc/30/53/00/246305300.db2.gz OXNFUZREYQAFDQ-LSDHHAIUSA-N 1 3 354.495 0.332 20 0 FCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000419746301 246280208 /nfs/dbraw/zinc/28/02/08/246280208.db2.gz BQDHNAQXXPPUFD-UHFFFAOYSA-N 1 3 356.511 0.626 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419837757 246311460 /nfs/dbraw/zinc/31/14/60/246311460.db2.gz DOLWXYHWMHOBPS-MRXNPFEDSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCC[NH3+] ZINC000419837837 246314601 /nfs/dbraw/zinc/31/46/01/246314601.db2.gz MZLMHGAOMAEZSC-UHFFFAOYSA-N 1 3 360.380 0.671 20 0 FCADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419915704 246365102 /nfs/dbraw/zinc/36/51/02/246365102.db2.gz YPKXCOIEESNPAA-KRWDZBQOSA-N 1 3 350.507 0.969 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)o1 ZINC000419914011 246366282 /nfs/dbraw/zinc/36/62/82/246366282.db2.gz NNWVZBCYBWQARO-HNNXBMFYSA-N 1 3 350.463 0.594 20 0 FCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419947319 246382826 /nfs/dbraw/zinc/38/28/26/246382826.db2.gz CHODEGNPHGXNKN-INIZCTEOSA-N 1 3 368.522 0.579 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419956742 246387883 /nfs/dbraw/zinc/38/78/83/246387883.db2.gz SVGKLEZIWZSOLB-ZDUSSCGKSA-N 1 3 370.444 0.827 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420206291 246529409 /nfs/dbraw/zinc/52/94/09/246529409.db2.gz PYPCUDZKCMVGHO-KGLIPLIRSA-N 1 3 352.504 0.882 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573300 247058580 /nfs/dbraw/zinc/05/85/80/247058580.db2.gz WBRGPNDVJSABML-MSOLQXFVSA-N 1 3 358.486 0.917 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573300 247058585 /nfs/dbraw/zinc/05/85/85/247058585.db2.gz WBRGPNDVJSABML-MSOLQXFVSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423583831 247063882 /nfs/dbraw/zinc/06/38/82/247063882.db2.gz BBLZKDNCNIFZCJ-CVEARBPZSA-N 1 3 364.515 0.706 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000423590875 247064956 /nfs/dbraw/zinc/06/49/56/247064956.db2.gz JMCIXHNARFLISM-FGTMMUONSA-N 1 3 358.486 0.881 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000423482527 247035430 /nfs/dbraw/zinc/03/54/30/247035430.db2.gz RPJRXBDKQHJCEY-RHSMWYFYSA-N 1 3 362.474 0.391 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423498581 247038506 /nfs/dbraw/zinc/03/85/06/247038506.db2.gz IFZMTRFTIBXEKH-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+])Cc1ccco1 ZINC000423619712 247078328 /nfs/dbraw/zinc/07/83/28/247078328.db2.gz IQMWLBFTJLJVCT-OAHLLOKOSA-N 1 3 350.463 0.900 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725773 247128009 /nfs/dbraw/zinc/12/80/09/247128009.db2.gz SVKCDDYXORBNJX-BPQIPLTHSA-N 1 3 358.486 0.773 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423725773 247128011 /nfs/dbraw/zinc/12/80/11/247128011.db2.gz SVKCDDYXORBNJX-BPQIPLTHSA-N 1 3 358.486 0.773 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)N3CCC(O)(C[NH3+])CC3)CC2)c1 ZINC000424055155 247165037 /nfs/dbraw/zinc/16/50/37/247165037.db2.gz IHWWQDMIRHIFJH-UHFFFAOYSA-N 1 3 360.502 0.819 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424494566 247239706 /nfs/dbraw/zinc/23/97/06/247239706.db2.gz NSLYZNOQRVYWSM-GBESFXJTSA-N 1 3 370.497 0.930 20 0 FCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424493862 247240136 /nfs/dbraw/zinc/24/01/36/247240136.db2.gz LNVAUCNXKCAWLP-RCCFBDPRSA-N 1 3 356.470 0.669 20 0 FCADHO COCC(C)(C)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000425478019 247343848 /nfs/dbraw/zinc/34/38/48/247343848.db2.gz OPZNJILDSJLPHK-KRWDZBQOSA-N 1 3 369.554 0.622 20 0 FCADHO CCN1CCN(CCC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472183939 250138347 /nfs/dbraw/zinc/13/83/47/250138347.db2.gz WNVGBLAMAGCXMD-SFHVURJKSA-N 1 3 354.539 0.973 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932480 250257095 /nfs/dbraw/zinc/25/70/95/250257095.db2.gz MHLWINCUBQMRAL-GJZGRUSLSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncnn1C ZINC000473932480 250257099 /nfs/dbraw/zinc/25/70/99/250257099.db2.gz MHLWINCUBQMRAL-GJZGRUSLSA-N 1 3 351.499 0.934 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000481132414 250316756 /nfs/dbraw/zinc/31/67/56/250316756.db2.gz FBKCUPFKJVQYGW-QXSJWSMHSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000481132414 250316761 /nfs/dbraw/zinc/31/67/61/250316761.db2.gz FBKCUPFKJVQYGW-QXSJWSMHSA-N 1 3 350.507 0.964 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000481772692 250357657 /nfs/dbraw/zinc/35/76/57/250357657.db2.gz BNMSLEXOYDAWBR-WBVHZDCISA-N 1 3 358.552 0.816 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481858552 250367713 /nfs/dbraw/zinc/36/77/13/250367713.db2.gz VQWDNIDUNQYJMX-HZPDHXFCSA-N 1 3 356.511 0.260 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000481858552 250367715 /nfs/dbraw/zinc/36/77/15/250367715.db2.gz VQWDNIDUNQYJMX-HZPDHXFCSA-N 1 3 356.511 0.260 20 0 FCADHO CC[NH+]1CCN(CCNC(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000073639720 208050026 /nfs/dbraw/zinc/05/00/26/208050026.db2.gz QSDDZZGIUAVHJF-UHFFFAOYSA-N 1 3 373.545 0.801 20 0 FCADHO CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000107327290 208239142 /nfs/dbraw/zinc/23/91/42/208239142.db2.gz WIZJUUYRBOWXJI-UHFFFAOYSA-N 1 3 365.522 0.810 20 0 FCADHO C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCN1CC(C)(C)O ZINC000187334111 229239300 /nfs/dbraw/zinc/23/93/00/229239300.db2.gz SZJOLPOWCSPPKN-INIZCTEOSA-N 1 3 369.554 0.499 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCC1 ZINC000410779693 230246585 /nfs/dbraw/zinc/24/65/85/230246585.db2.gz MAMAKDWJFMJFOU-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCC1 ZINC000410779693 230246590 /nfs/dbraw/zinc/24/65/90/230246590.db2.gz MAMAKDWJFMJFOU-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1(C)C ZINC000328242446 488922148 /nfs/dbraw/zinc/92/21/48/488922148.db2.gz AHXIKPSOIWKCOF-MDZRGWNJSA-N 1 3 354.539 0.907 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364163012 488929784 /nfs/dbraw/zinc/92/97/84/488929784.db2.gz OITPGDCVDVWOLI-DLBZAZTESA-N 1 3 356.511 0.849 20 0 FCADHO CCCC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796855 488114606 /nfs/dbraw/zinc/11/46/06/488114606.db2.gz ICZLEAGVXSHGJJ-MRXNPFEDSA-N 1 3 353.511 0.888 20 0 FCADHO C[C@@H](CN1CCOCC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760895 488144373 /nfs/dbraw/zinc/14/43/73/488144373.db2.gz HHXCJEXZRPIPBE-INIZCTEOSA-N 1 3 367.538 0.565 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000562821334 491192382 /nfs/dbraw/zinc/19/23/82/491192382.db2.gz OCMZHGJSHCWWHF-MSOLQXFVSA-N 1 3 373.501 0.041 20 0 FCADHO CN(CCNC(=O)c1cccc(C(=O)NCC[N@H+](C)C2CC2)n1)C1CC1 ZINC000066924225 488340899 /nfs/dbraw/zinc/34/08/99/488340899.db2.gz PNETUYCDDPKYSE-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO CN(CCNC(=O)c1cccc(C(=O)NCC[N@@H+](C)C2CC2)n1)C1CC1 ZINC000066924225 488340901 /nfs/dbraw/zinc/34/09/01/488340901.db2.gz PNETUYCDDPKYSE-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO C[C@H](CNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000073586401 488385090 /nfs/dbraw/zinc/38/50/90/488385090.db2.gz QQDBCEDPBHRCCC-SQNIBIBYSA-N 1 3 369.554 0.668 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000074064673 488387404 /nfs/dbraw/zinc/38/74/04/488387404.db2.gz YISWBDKONXGSIQ-KRWDZBQOSA-N 1 3 369.554 0.670 20 0 FCADHO CN(C)CCOc1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccn1 ZINC000183240224 488391824 /nfs/dbraw/zinc/39/18/24/488391824.db2.gz KLRCEGAQFOGPON-UHFFFAOYSA-N 1 3 350.463 0.456 20 0 FCADHO C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CN1CCN(C)CC1 ZINC000074657065 488393192 /nfs/dbraw/zinc/39/31/92/488393192.db2.gz DCSAWJWIMCASFU-ROUUACIJSA-N 1 3 369.554 0.622 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076308869 488403289 /nfs/dbraw/zinc/40/32/89/488403289.db2.gz DSYYCOGPKGADSJ-SFHVURJKSA-N 1 3 354.539 0.923 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000186620336 488407084 /nfs/dbraw/zinc/40/70/84/488407084.db2.gz BVEJQRTWZJILRD-HNNXBMFYSA-N 1 3 357.524 0.776 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000189995233 488416233 /nfs/dbraw/zinc/41/62/33/488416233.db2.gz XFLMYZKEZKBYEZ-IKGGRYGDSA-N 1 3 368.522 0.437 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058901 488426711 /nfs/dbraw/zinc/42/67/11/488426711.db2.gz XNAOTWQRVRLRCP-WBVHZDCISA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079058901 488426712 /nfs/dbraw/zinc/42/67/12/488426712.db2.gz XNAOTWQRVRLRCP-WBVHZDCISA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565257 488435977 /nfs/dbraw/zinc/43/59/77/488435977.db2.gz BQUOAMCRIQEFRU-OAHLLOKOSA-N 1 3 363.510 0.782 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565257 488435980 /nfs/dbraw/zinc/43/59/80/488435980.db2.gz BQUOAMCRIQEFRU-OAHLLOKOSA-N 1 3 363.510 0.782 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000081293009 488440189 /nfs/dbraw/zinc/44/01/89/488440189.db2.gz AATXDAULLJOKQF-KRWDZBQOSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000081293009 488440191 /nfs/dbraw/zinc/44/01/91/488440191.db2.gz AATXDAULLJOKQF-KRWDZBQOSA-N 1 3 352.523 0.975 20 0 FCADHO CCN1CCN(c2ccccc2C[NH2+]CCCNS(C)(=O)=O)CC1 ZINC000088671926 488456057 /nfs/dbraw/zinc/45/60/57/488456057.db2.gz HWIDWDGJJYZGOX-UHFFFAOYSA-N 1 3 354.520 0.857 20 0 FCADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246774608 488475635 /nfs/dbraw/zinc/47/56/35/488475635.db2.gz IFEMCRCBYUUCRB-IAGOWNOFSA-N 1 3 356.511 0.632 20 0 FCADHO CC[N@@H+]1CC[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044822 488480376 /nfs/dbraw/zinc/48/03/76/488480376.db2.gz OLSGNXIGYHTLFN-IRXDYDNUSA-N 1 3 360.506 0.835 20 0 FCADHO CC[N@H+]1CC[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247044822 488480378 /nfs/dbraw/zinc/48/03/78/488480378.db2.gz OLSGNXIGYHTLFN-IRXDYDNUSA-N 1 3 360.506 0.835 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[N@@H+]1C1CC1 ZINC000247304829 488484514 /nfs/dbraw/zinc/48/45/14/488484514.db2.gz UZWIKQNTDGLANQ-HLLBOEOZSA-N 1 3 363.506 0.560 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[N@H+]1C1CC1 ZINC000247304829 488484517 /nfs/dbraw/zinc/48/45/17/488484517.db2.gz UZWIKQNTDGLANQ-HLLBOEOZSA-N 1 3 363.506 0.560 20 0 FCADHO O=C(C[C@H]1C[NH2+]CCO1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000269307759 488489794 /nfs/dbraw/zinc/48/97/94/488489794.db2.gz UVYZJCDBMRQGJI-IBGZPJMESA-N 1 3 360.502 0.689 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000103210954 488500018 /nfs/dbraw/zinc/50/00/18/488500018.db2.gz HOMDATONCYSNSM-UHFFFAOYSA-N 1 3 355.504 0.797 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1cnc2ccccc2c1=O ZINC000103212097 488500133 /nfs/dbraw/zinc/50/01/33/488500133.db2.gz HHIIEHFHTPHLDO-UHFFFAOYSA-N 1 3 359.474 0.738 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000103212316 488500192 /nfs/dbraw/zinc/50/01/92/488500192.db2.gz LHXWUZGIVMBRNQ-UHFFFAOYSA-N 1 3 367.519 0.764 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103305352 488500533 /nfs/dbraw/zinc/50/05/33/488500533.db2.gz QBELHFUBLAUCDK-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103305352 488500535 /nfs/dbraw/zinc/50/05/35/488500535.db2.gz QBELHFUBLAUCDK-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C[NH+]1CCCC1 ZINC000103308140 488500753 /nfs/dbraw/zinc/50/07/53/488500753.db2.gz SVJBXZMXEIJMNM-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000249118518 488506670 /nfs/dbraw/zinc/50/66/70/488506670.db2.gz OSYLIRRXZMFLOJ-IRXDYDNUSA-N 1 3 369.554 0.357 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000105328594 488508897 /nfs/dbraw/zinc/50/88/97/488508897.db2.gz ZMKRZXZTRGYLSE-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN2CCCC2)CC1=O ZINC000105328594 488508898 /nfs/dbraw/zinc/50/88/98/488508898.db2.gz ZMKRZXZTRGYLSE-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108570901 488520270 /nfs/dbraw/zinc/52/02/70/488520270.db2.gz OLCTZJJBZCHXQR-SJORKVTESA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108570901 488520271 /nfs/dbraw/zinc/52/02/71/488520271.db2.gz OLCTZJJBZCHXQR-SJORKVTESA-N 1 3 365.522 0.713 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000111865037 488532217 /nfs/dbraw/zinc/53/22/17/488532217.db2.gz GWXHNUBPDYCQRA-IAGOWNOFSA-N 1 3 356.511 0.489 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757808 488534661 /nfs/dbraw/zinc/53/46/61/488534661.db2.gz JLLXFRLCABSKDO-IAGOWNOFSA-N 1 3 362.518 0.921 20 0 FCADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000261768794 488535251 /nfs/dbraw/zinc/53/52/51/488535251.db2.gz WRGPAUJRPHHQQV-CQSZACIVSA-N 1 3 351.447 0.999 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](c2ccccc2)C1 ZINC000261784942 488535662 /nfs/dbraw/zinc/53/56/62/488535662.db2.gz NFSUQJLGMRVTNT-QRVBRYPASA-N 1 3 360.502 0.988 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](c2ccccc2)C1 ZINC000261784948 488536189 /nfs/dbraw/zinc/53/61/89/488536189.db2.gz NFSUQJLGMRVTNT-QYZOEREBSA-N 1 3 360.502 0.988 20 0 FCADHO O=S1(=O)CCC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000271723528 488542055 /nfs/dbraw/zinc/54/20/55/488542055.db2.gz QOERRLALZQXQJF-INIZCTEOSA-N 1 3 352.504 0.761 20 0 FCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262003326 488545305 /nfs/dbraw/zinc/54/53/05/488545305.db2.gz DSAMZIKSTCULCX-ROUUACIJSA-N 1 3 351.539 0.299 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000118094404 488553220 /nfs/dbraw/zinc/55/32/20/488553220.db2.gz CSMZVBDCFNHZNV-UHFFFAOYSA-N 1 3 356.854 0.897 20 0 FCADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000119633909 488558346 /nfs/dbraw/zinc/55/83/46/488558346.db2.gz IFEMCRCBYUUCRB-IRXDYDNUSA-N 1 3 356.511 0.632 20 0 FCADHO Cc1nnnn1-c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119847323 488559344 /nfs/dbraw/zinc/55/93/44/488559344.db2.gz QFFCJHSJPQDWDG-UHFFFAOYSA-N 1 3 360.466 0.928 20 0 FCADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000121477519 488568362 /nfs/dbraw/zinc/56/83/62/488568362.db2.gz BJAPDTFLRUMRKV-MSOLQXFVSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000121477519 488568363 /nfs/dbraw/zinc/56/83/63/488568363.db2.gz BJAPDTFLRUMRKV-MSOLQXFVSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000272706110 488599096 /nfs/dbraw/zinc/59/90/96/488599096.db2.gz UHXAEZJHGQRDGT-UHFFFAOYSA-N 1 3 364.490 0.987 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079422 488628886 /nfs/dbraw/zinc/62/88/86/488628886.db2.gz SZEFVBBCHUDLOY-IAGOWNOFSA-N 1 3 367.538 0.301 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000130525921 488637785 /nfs/dbraw/zinc/63/77/85/488637785.db2.gz SALNKCGJOXCTHO-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000130608380 488638692 /nfs/dbraw/zinc/63/86/92/488638692.db2.gz QHBNMMQISWSIKL-UHFFFAOYSA-N 1 3 354.426 0.725 20 0 FCADHO COc1c(F)cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000130568050 488638727 /nfs/dbraw/zinc/63/87/27/488638727.db2.gz GZOKTVYAAMLXNZ-UHFFFAOYSA-N 1 3 372.416 0.864 20 0 FCADHO CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000138494557 488682113 /nfs/dbraw/zinc/68/21/13/488682113.db2.gz VJSKLCYXCWIQEK-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000138494557 488682115 /nfs/dbraw/zinc/68/21/15/488682115.db2.gz VJSKLCYXCWIQEK-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CNCc3ccccc32)cn1 ZINC000563083433 491214067 /nfs/dbraw/zinc/21/40/67/491214067.db2.gz MWOJGXVAXVBPPG-KRWDZBQOSA-N 1 3 370.457 0.386 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C[NH+]1CCCC1 ZINC000151736314 488709193 /nfs/dbraw/zinc/70/91/93/488709193.db2.gz VLAPEBVCFMORFW-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000151977029 488711976 /nfs/dbraw/zinc/71/19/76/488711976.db2.gz AMDBESSNMZLFQY-QGZVFWFLSA-N 1 3 369.554 0.358 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274508875 488714997 /nfs/dbraw/zinc/71/49/97/488714997.db2.gz WEWDETJNJNRXJX-UHFFFAOYSA-N 1 3 350.463 0.160 20 0 FCADHO CCN(CCO)CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000274706822 488728761 /nfs/dbraw/zinc/72/87/61/488728761.db2.gz ZMDCPFUEWRFBFJ-UHFFFAOYSA-N 1 3 352.479 0.740 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154048654 488737916 /nfs/dbraw/zinc/73/79/16/488737916.db2.gz FPKRRGJMSDUAHH-AWEZNQCLSA-N 1 3 350.467 0.326 20 0 FCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136862 488762776 /nfs/dbraw/zinc/76/27/76/488762776.db2.gz WKYHCTRHVDKVPZ-ZACQAIPSSA-N 1 3 360.506 0.834 20 0 FCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136862 488762778 /nfs/dbraw/zinc/76/27/78/488762778.db2.gz WKYHCTRHVDKVPZ-ZACQAIPSSA-N 1 3 360.506 0.834 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563151957 491222220 /nfs/dbraw/zinc/22/22/20/491222220.db2.gz BJAHOTHETDJQQO-DLBZAZTESA-N 1 3 366.506 0.252 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000171305935 488821798 /nfs/dbraw/zinc/82/17/98/488821798.db2.gz PWXLWDXAZJJQKD-SCTDSRPQSA-N 1 3 355.523 0.501 20 0 FCADHO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000175728703 488855197 /nfs/dbraw/zinc/85/51/97/488855197.db2.gz JUJLGUNPERJGDE-KRWDZBQOSA-N 1 3 367.538 0.376 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177378251 488859464 /nfs/dbraw/zinc/85/94/64/488859464.db2.gz YKNVQIQWRQADGH-MRXNPFEDSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(O)(C[NH3+])CC1 ZINC000563211059 491227816 /nfs/dbraw/zinc/22/78/16/491227816.db2.gz KADDIZFNZNMEAO-KRWDZBQOSA-N 1 3 374.529 0.941 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN3C(=O)CCC3=O)CC2)CC1 ZINC000570295160 491231307 /nfs/dbraw/zinc/23/13/07/491231307.db2.gz ZBHBKTHVTRVNRG-UHFFFAOYSA-N 1 3 364.490 0.448 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC1CCN(C)CC1)CC[NH2+]CC2 ZINC000570323527 491233907 /nfs/dbraw/zinc/23/39/07/491233907.db2.gz VJWMQIVDHGPTIL-HNNXBMFYSA-N 1 3 350.507 0.777 20 0 FCADHO COC(=O)[C@@]1(C)CCN(CCOCC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032007 489137094 /nfs/dbraw/zinc/13/70/94/489137094.db2.gz ZEPYIKPYNUWBKS-ROUUACIJSA-N 1 3 356.463 0.773 20 0 FCADHO COC(=O)[C@@]1(C)CCN(CCOCC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000366032007 489137097 /nfs/dbraw/zinc/13/70/97/489137097.db2.gz ZEPYIKPYNUWBKS-ROUUACIJSA-N 1 3 356.463 0.773 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000331370868 489202784 /nfs/dbraw/zinc/20/27/84/489202784.db2.gz GIBDOJQVZPUIEJ-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331390849 489205566 /nfs/dbraw/zinc/20/55/66/489205566.db2.gz JJVNCKQRQXQUNR-SJORKVTESA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000297692735 489224483 /nfs/dbraw/zinc/22/44/83/489224483.db2.gz HCQRDRMYIXRQBZ-UHFFFAOYSA-N 1 3 364.490 0.970 20 0 FCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000563397169 491241673 /nfs/dbraw/zinc/24/16/73/491241673.db2.gz QRNUPOGLHPHPTA-FUHWJXTLSA-N 1 3 353.532 0.777 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000332970253 489252015 /nfs/dbraw/zinc/25/20/15/489252015.db2.gz XACZTDVMKHLCQX-PMPSAXMXSA-N 1 3 351.495 0.417 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000332970253 489252019 /nfs/dbraw/zinc/25/20/19/489252019.db2.gz XACZTDVMKHLCQX-PMPSAXMXSA-N 1 3 351.495 0.417 20 0 FCADHO COCCCN(C)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369669491 489261822 /nfs/dbraw/zinc/26/18/22/489261822.db2.gz AQAFDTJFGCINQU-UHFFFAOYSA-N 1 3 352.483 1.240 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000370075993 489313962 /nfs/dbraw/zinc/31/39/62/489313962.db2.gz CWOKLWAJEMOTLA-WMZOPIPTSA-N 1 3 368.522 0.992 20 0 FCADHO C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563448717 491247867 /nfs/dbraw/zinc/24/78/67/491247867.db2.gz LXYUZBNTFDTJFB-ZBFHGGJFSA-N 1 3 361.446 0.403 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000286173088 489364967 /nfs/dbraw/zinc/36/49/67/489364967.db2.gz QZOYRJPDQGQDFW-KRWDZBQOSA-N 1 3 370.444 0.955 20 0 FCADHO COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000370516293 489369779 /nfs/dbraw/zinc/36/97/79/489369779.db2.gz AIDBIOBKPCLJJC-ROUUACIJSA-N 1 3 357.539 0.748 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000570583406 491251829 /nfs/dbraw/zinc/25/18/29/491251829.db2.gz GSSDUOIKYYNIPC-SJLPKXTDSA-N 1 3 360.502 0.876 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370727239 489393577 /nfs/dbraw/zinc/39/35/77/489393577.db2.gz UYGAOOYKLZPFQE-BRWVUGGUSA-N 1 3 363.506 0.561 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370727239 489393580 /nfs/dbraw/zinc/39/35/80/489393580.db2.gz UYGAOOYKLZPFQE-BRWVUGGUSA-N 1 3 363.506 0.561 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021576 489438878 /nfs/dbraw/zinc/43/88/78/489438878.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 1 3 353.511 0.175 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021576 489438880 /nfs/dbraw/zinc/43/88/80/489438880.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 1 3 353.511 0.175 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021149 489438939 /nfs/dbraw/zinc/43/89/39/489438939.db2.gz XQHUVNWAPVDDRL-DLBZAZTESA-N 1 3 353.511 0.129 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021149 489438940 /nfs/dbraw/zinc/43/89/40/489438940.db2.gz XQHUVNWAPVDDRL-DLBZAZTESA-N 1 3 353.511 0.129 20 0 FCADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000570651399 491255658 /nfs/dbraw/zinc/25/56/58/491255658.db2.gz QIYPJFJVRLULEX-ROUUACIJSA-N 1 3 373.501 0.982 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423126661 489495530 /nfs/dbraw/zinc/49/55/30/489495530.db2.gz SDRIAPSINISGPU-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423126660 489495627 /nfs/dbraw/zinc/49/56/27/489495627.db2.gz SDRIAPSINISGPU-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423154350 489497601 /nfs/dbraw/zinc/49/76/01/489497601.db2.gz OTPNSXLBTCAGLA-BZSNNMDCSA-N 1 3 362.518 0.921 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423160774 489498240 /nfs/dbraw/zinc/49/82/40/489498240.db2.gz HVGQMIDMYBMYST-ROUUACIJSA-N 1 3 373.501 0.702 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000423161801 489498268 /nfs/dbraw/zinc/49/82/68/489498268.db2.gz JRJIHSKUODYLNP-YOEHRIQHSA-N 1 3 364.465 0.912 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423170279 489498859 /nfs/dbraw/zinc/49/88/59/489498859.db2.gz XRQBEHOMVBJRTN-MSOLQXFVSA-N 1 3 373.501 0.715 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423170281 489498872 /nfs/dbraw/zinc/49/88/72/489498872.db2.gz XRQBEHOMVBJRTN-ROUUACIJSA-N 1 3 373.501 0.715 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423202733 489502089 /nfs/dbraw/zinc/50/20/89/489502089.db2.gz LDXIIPHDYYOALM-GDBMZVCRSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423207127 489502580 /nfs/dbraw/zinc/50/25/80/489502580.db2.gz RBXPAQATIOHNHO-IYBDPMFKSA-N 1 3 368.522 0.402 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423206292 489502915 /nfs/dbraw/zinc/50/29/15/489502915.db2.gz QHWCPVWQZWPFAI-MRXNPFEDSA-N 1 3 364.465 0.784 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)c2)CC1 ZINC000415406445 489517442 /nfs/dbraw/zinc/51/74/42/489517442.db2.gz DMOVORFIGCFMLH-OAHLLOKOSA-N 1 3 361.490 0.739 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000415421795 489518726 /nfs/dbraw/zinc/51/87/26/489518726.db2.gz VTUSDSHRFXHQCO-HNNXBMFYSA-N 1 3 361.490 0.568 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)ccc1OCCN(C)C ZINC000415447074 489521820 /nfs/dbraw/zinc/52/18/20/489521820.db2.gz UBWNIKZCIGTNFH-HNNXBMFYSA-N 1 3 350.463 0.973 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415511449 489526415 /nfs/dbraw/zinc/52/64/15/489526415.db2.gz PAJZYHWVIOCHGI-AWEZNQCLSA-N 1 3 364.515 0.927 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)c2)CC1 ZINC000415570405 489531288 /nfs/dbraw/zinc/53/12/88/489531288.db2.gz LYAKKEWKYGKEJG-HZPDHXFCSA-N 1 3 373.501 0.963 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N(C)CCC[NH+](C)C)Cc2ccccc2C1 ZINC000563645471 491261178 /nfs/dbraw/zinc/26/11/78/491261178.db2.gz WHHCGIRLRZFTRT-UHFFFAOYSA-N 1 3 360.502 0.612 20 0 FCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415725093 489546791 /nfs/dbraw/zinc/54/67/91/489546791.db2.gz MBBOVUDZPZZNLR-QGZVFWFLSA-N 1 3 373.501 0.235 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748341 491261831 /nfs/dbraw/zinc/26/18/31/491261831.db2.gz AFFWPPHMCFCZBA-JKSUJKDBSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748341 491261834 /nfs/dbraw/zinc/26/18/34/491261834.db2.gz AFFWPPHMCFCZBA-JKSUJKDBSA-N 1 3 366.506 0.347 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000415753846 489550078 /nfs/dbraw/zinc/55/00/78/489550078.db2.gz YYCZWZMGIXQBNY-HUUCEWRRSA-N 1 3 360.458 0.633 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000415893267 489563918 /nfs/dbraw/zinc/56/39/18/489563918.db2.gz MTDSAWBDOKLINR-LSDHHAIUSA-N 1 3 360.458 0.633 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005279 489567272 /nfs/dbraw/zinc/56/72/72/489567272.db2.gz JMHZBSYIXHFZHN-OLZOCXBDSA-N 1 3 353.433 0.839 20 0 FCADHO C[C@H](CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000454647068 489574815 /nfs/dbraw/zinc/57/48/15/489574815.db2.gz TVQLCIJTWNVYGI-ZIAGYGMSSA-N 1 3 358.527 0.693 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786004 491264510 /nfs/dbraw/zinc/26/45/10/491264510.db2.gz REYOBOXEXUUJON-KGLIPLIRSA-N 1 3 365.444 0.947 20 0 FCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000417219776 489645085 /nfs/dbraw/zinc/64/50/85/489645085.db2.gz WPEXEXJTEZOHMR-UXLLHSPISA-N 1 3 351.495 0.417 20 0 FCADHO C[C@@]1(C[NH3+])CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417377780 489650378 /nfs/dbraw/zinc/65/03/78/489650378.db2.gz DOTRRKBQOWKUCI-IBGZPJMESA-N 1 3 360.506 0.974 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417430766 489652666 /nfs/dbraw/zinc/65/26/66/489652666.db2.gz PVWJQFDIGCZKGY-HRCADAONSA-N 1 3 353.511 0.840 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000417460621 489654976 /nfs/dbraw/zinc/65/49/76/489654976.db2.gz RCFIQQXOQUBHPJ-MRXNPFEDSA-N 1 3 350.463 0.886 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000417474515 489655606 /nfs/dbraw/zinc/65/56/06/489655606.db2.gz NMTDIZWNZZCHFR-CQSZACIVSA-N 1 3 371.432 0.760 20 0 FCADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCNC(C)(C)C2)c1 ZINC000417477169 489655796 /nfs/dbraw/zinc/65/57/96/489655796.db2.gz QZCKOVNFJNKGIW-UHFFFAOYSA-N 1 3 361.490 0.871 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417519127 489656689 /nfs/dbraw/zinc/65/66/89/489656689.db2.gz ULFMMZNJRTUYKH-BZSNNMDCSA-N 1 3 364.490 0.576 20 0 FCADHO C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000417524414 489656807 /nfs/dbraw/zinc/65/68/07/489656807.db2.gz JLBHBTMQSJWJNS-KRWDZBQOSA-N 1 3 350.463 0.457 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000417648713 489660095 /nfs/dbraw/zinc/66/00/95/489660095.db2.gz OTICMQJQVKIXBV-QGZVFWFLSA-N 1 3 369.554 0.454 20 0 FCADHO COCC[NH2+]CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418001183 489674725 /nfs/dbraw/zinc/67/47/25/489674725.db2.gz WLWBJXLQGBWVBH-QGZVFWFLSA-N 1 3 350.463 0.288 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000418067974 489677417 /nfs/dbraw/zinc/67/74/17/489677417.db2.gz CONHRLGJFIOEHY-MSOLQXFVSA-N 1 3 362.474 0.647 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448333 489684627 /nfs/dbraw/zinc/68/46/27/489684627.db2.gz XTYFKDQGVSEHDB-LPHOPBHVSA-N 1 3 365.522 0.701 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448333 489684630 /nfs/dbraw/zinc/68/46/30/489684630.db2.gz XTYFKDQGVSEHDB-LPHOPBHVSA-N 1 3 365.522 0.701 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCN1CC[NH2+]CC1 ZINC000418291294 489688825 /nfs/dbraw/zinc/68/88/25/489688825.db2.gz BCCFRNLPUYUAOR-UHFFFAOYSA-N 1 3 351.470 0.804 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000418347710 489693299 /nfs/dbraw/zinc/69/32/99/489693299.db2.gz QUHJLASOZAPLHI-HZPDHXFCSA-N 1 3 353.511 0.570 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000555771330 491271885 /nfs/dbraw/zinc/27/18/85/491271885.db2.gz UFPYMHMTFTVGTI-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418414361 489697586 /nfs/dbraw/zinc/69/75/86/489697586.db2.gz RQDBIVMORHWJTR-JKSUJKDBSA-N 1 3 353.511 0.795 20 0 FCADHO C[C@@]1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCC[NH2+]C1 ZINC000418559334 489707161 /nfs/dbraw/zinc/70/71/61/489707161.db2.gz XZERBMOEBXCBTQ-GOSISDBHSA-N 1 3 353.511 0.668 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418724680 489720516 /nfs/dbraw/zinc/72/05/16/489720516.db2.gz OLVXTOOWINVUCP-HZPDHXFCSA-N 1 3 353.511 0.700 20 0 FCADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418776705 489726064 /nfs/dbraw/zinc/72/60/64/489726064.db2.gz GKTFODKWKCFCRC-KRWDZBQOSA-N 1 3 373.501 0.183 20 0 FCADHO C[C@](CN)([NH2+]CC(=O)NCC1(N2CCOCC2)CCCCC1)C1CC1 ZINC000430548316 489745108 /nfs/dbraw/zinc/74/51/08/489745108.db2.gz GWPNRUXHWPIHPL-GOSISDBHSA-N 1 3 352.523 0.855 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000418833276 489745224 /nfs/dbraw/zinc/74/52/24/489745224.db2.gz IAIGVAMEADQQGM-SZMVWBNQSA-N 1 3 360.502 0.861 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000418834947 489746508 /nfs/dbraw/zinc/74/65/08/489746508.db2.gz MUUZEXIRHUWWDE-CABCVRRESA-N 1 3 354.495 0.332 20 0 FCADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620863 489756787 /nfs/dbraw/zinc/75/67/87/489756787.db2.gz IKIQKWQGZQREMQ-GOEBONIOSA-N 1 3 364.465 0.960 20 0 FCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3CNCCO3)CC2)CC1 ZINC000418866527 489765115 /nfs/dbraw/zinc/76/51/15/489765115.db2.gz NEYJJDOLTDQQBB-OFLPRAFFSA-N 1 3 366.506 0.250 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)cn1 ZINC000430785610 489770396 /nfs/dbraw/zinc/77/03/96/489770396.db2.gz XLOCHEFMCQDRDO-MRXNPFEDSA-N 1 3 358.446 0.242 20 0 FCADHO COCC[C@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878370 489774306 /nfs/dbraw/zinc/77/43/06/489774306.db2.gz NWBVKOQNPRSUAC-CRAIPNDOSA-N 1 3 354.495 0.062 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459892293 489782731 /nfs/dbraw/zinc/78/27/31/489782731.db2.gz DSSXEYBACXBABI-UHFFFAOYSA-N 1 3 356.511 0.356 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894671 489783833 /nfs/dbraw/zinc/78/38/33/489783833.db2.gz IRJXHCQFHHXCQF-RTBURBONSA-N 1 3 372.513 0.987 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459894671 489783836 /nfs/dbraw/zinc/78/38/36/489783836.db2.gz IRJXHCQFHHXCQF-RTBURBONSA-N 1 3 372.513 0.987 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000491253191 489799526 /nfs/dbraw/zinc/79/95/26/489799526.db2.gz FIOBPZZJJVCPCB-UHFFFAOYSA-N 1 3 351.495 0.422 20 0 FCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418956898 489803269 /nfs/dbraw/zinc/80/32/69/489803269.db2.gz SUTSJWDEXZCOJH-ZACQAIPSSA-N 1 3 368.522 0.504 20 0 FCADHO CC1CCN([C@H](CNC(=O)C(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000418957406 489804523 /nfs/dbraw/zinc/80/45/23/489804523.db2.gz ZMQFSEXJQPEHSA-GOSISDBHSA-N 1 3 358.486 0.911 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000418984948 489810708 /nfs/dbraw/zinc/81/07/08/489810708.db2.gz FKKIMIOBVRBVEL-KSZLIROESA-N 1 3 358.486 0.950 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419027378 489823688 /nfs/dbraw/zinc/82/36/88/489823688.db2.gz CJNGCNIHYFMFBM-OAHLLOKOSA-N 1 3 370.563 0.954 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419032478 489826739 /nfs/dbraw/zinc/82/67/39/489826739.db2.gz WSLLEYCRXWPPQK-VVLHAWIVSA-N 1 3 352.523 0.975 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000419038389 489829287 /nfs/dbraw/zinc/82/92/87/489829287.db2.gz SGBRBRXWPQDRDQ-HNNXBMFYSA-N 1 3 368.547 0.708 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419044395 489832085 /nfs/dbraw/zinc/83/20/85/489832085.db2.gz PUDXAMMEHAQQEN-DOTOQJQBSA-N 1 3 368.522 0.578 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000460055261 489835825 /nfs/dbraw/zinc/83/58/25/489835825.db2.gz FXWYALPCZIOSNZ-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000460055261 489835829 /nfs/dbraw/zinc/83/58/29/489835829.db2.gz FXWYALPCZIOSNZ-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419072258 489845112 /nfs/dbraw/zinc/84/51/12/489845112.db2.gz BFJXXKYEOBKHST-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000460084188 489847315 /nfs/dbraw/zinc/84/73/15/489847315.db2.gz UENKCJOGAZCAFA-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000460084188 489847318 /nfs/dbraw/zinc/84/73/18/489847318.db2.gz UENKCJOGAZCAFA-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551380 489847256 /nfs/dbraw/zinc/84/72/56/489847256.db2.gz DVFYTWLHHGYPQK-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551380 489847261 /nfs/dbraw/zinc/84/72/61/489847261.db2.gz DVFYTWLHHGYPQK-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000377096278 489851143 /nfs/dbraw/zinc/85/11/43/489851143.db2.gz YZYXFMRDGVKBQW-INIZCTEOSA-N 1 3 368.522 0.992 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000564002774 491283089 /nfs/dbraw/zinc/28/30/89/491283089.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 1 3 355.527 0.375 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000564002774 491283091 /nfs/dbraw/zinc/28/30/91/491283091.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 1 3 355.527 0.375 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419099106 489855103 /nfs/dbraw/zinc/85/51/03/489855103.db2.gz DKCWFLXGPCIBDE-DLBZAZTESA-N 1 3 358.486 0.963 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000460251340 489858274 /nfs/dbraw/zinc/85/82/74/489858274.db2.gz CRCAGWTUWAZCKO-GOSISDBHSA-N 1 3 350.463 0.493 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261786 489859463 /nfs/dbraw/zinc/85/94/63/489859463.db2.gz RQJXEAHFOBLYRW-UYAOXDASSA-N 1 3 360.502 0.917 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261786 489859466 /nfs/dbraw/zinc/85/94/66/489859466.db2.gz RQJXEAHFOBLYRW-UYAOXDASSA-N 1 3 360.502 0.917 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000419121914 489866399 /nfs/dbraw/zinc/86/63/99/489866399.db2.gz FIUBETCURIFFNX-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@H](CNC(=O)CC1(C(=O)NC[C@H](C)N(C)C)CCOCC1)[NH+](C)C ZINC000494244502 489877062 /nfs/dbraw/zinc/87/70/62/489877062.db2.gz JGISTKQHYIMMSE-CABCVRRESA-N 1 3 356.511 0.306 20 0 FCADHO C[C@H](CNC(=O)CC1(C(=O)NC[C@H](C)[NH+](C)C)CCOCC1)N(C)C ZINC000494244502 489877063 /nfs/dbraw/zinc/87/70/63/489877063.db2.gz JGISTKQHYIMMSE-CABCVRRESA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030412 489885855 /nfs/dbraw/zinc/88/58/55/489885855.db2.gz GOMRMXPKQOEFKL-DZGCQCFKSA-N 1 3 366.462 0.399 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433467058 489887607 /nfs/dbraw/zinc/88/76/07/489887607.db2.gz PHWPKZLTOREUFO-ROUUACIJSA-N 1 3 370.538 0.879 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000420044157 489891894 /nfs/dbraw/zinc/89/18/94/489891894.db2.gz SOZLKFJDWWGGKJ-NUEKZKHPSA-N 1 3 366.506 0.406 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000420044157 489891896 /nfs/dbraw/zinc/89/18/96/489891896.db2.gz SOZLKFJDWWGGKJ-NUEKZKHPSA-N 1 3 366.506 0.406 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062007 489898737 /nfs/dbraw/zinc/89/87/37/489898737.db2.gz MJAALQOMKDVYEQ-DZGCQCFKSA-N 1 3 354.495 0.406 20 0 FCADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091166 489907938 /nfs/dbraw/zinc/90/79/38/489907938.db2.gz MMFFZKSBCUFPHB-FQEVSTJZSA-N 1 3 374.485 0.079 20 0 FCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420123331 489919986 /nfs/dbraw/zinc/91/99/86/489919986.db2.gz NHVLDPBQRADXFA-INIZCTEOSA-N 1 3 368.522 0.724 20 0 FCADHO CCN1CCN(c2ccccc2C[NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000495161688 489928252 /nfs/dbraw/zinc/92/82/52/489928252.db2.gz XSLXKWDSRVDLOY-UHFFFAOYSA-N 1 3 366.531 0.810 20 0 FCADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166308 489937727 /nfs/dbraw/zinc/93/77/27/489937727.db2.gz OBKDMPUYMGAJQY-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420173319 489940070 /nfs/dbraw/zinc/94/00/70/489940070.db2.gz XASURNRGZVUKHC-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189153 489945707 /nfs/dbraw/zinc/94/57/07/489945707.db2.gz NRQGSNWTDLBYFK-KRWDZBQOSA-N 1 3 368.522 0.452 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189086 489946091 /nfs/dbraw/zinc/94/60/91/489946091.db2.gz NOSMGMBDEXQKLM-INIZCTEOSA-N 1 3 356.511 0.308 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420197154 489948134 /nfs/dbraw/zinc/94/81/34/489948134.db2.gz LIJYKHKDFWNYLW-HIFRSBDPSA-N 1 3 352.504 0.882 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420195269 489948204 /nfs/dbraw/zinc/94/82/04/489948204.db2.gz KKCLGCAPDMNINJ-KRWDZBQOSA-N 1 3 366.506 0.206 20 0 FCADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420196692 489948393 /nfs/dbraw/zinc/94/83/93/489948393.db2.gz IVKAGAOCGRPBPC-QGZVFWFLSA-N 1 3 362.474 0.201 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420201964 489949971 /nfs/dbraw/zinc/94/99/71/489949971.db2.gz NQWTUURJNRHJCX-NVXWUHKLSA-N 1 3 364.465 0.960 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420205959 489952194 /nfs/dbraw/zinc/95/21/94/489952194.db2.gz JMJDMXPJHPPHFT-NXOAAHMSSA-N 1 3 366.506 0.060 20 0 FCADHO CN(C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1)C1CC(O)C1 ZINC000420206388 489952388 /nfs/dbraw/zinc/95/23/88/489952388.db2.gz OZBNTJDJLXUNOA-UHFFFAOYSA-N 1 3 374.485 0.078 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299040 489961139 /nfs/dbraw/zinc/96/11/39/489961139.db2.gz GDMROJIMIFUBJK-YSHGAJCASA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299040 489961141 /nfs/dbraw/zinc/96/11/41/489961141.db2.gz GDMROJIMIFUBJK-YSHGAJCASA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299040 489961144 /nfs/dbraw/zinc/96/11/44/489961144.db2.gz GDMROJIMIFUBJK-YSHGAJCASA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299038 489961832 /nfs/dbraw/zinc/96/18/32/489961832.db2.gz GDMROJIMIFUBJK-NQYYFHDYSA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299038 489961834 /nfs/dbraw/zinc/96/18/34/489961834.db2.gz GDMROJIMIFUBJK-NQYYFHDYSA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299038 489961835 /nfs/dbraw/zinc/96/18/35/489961835.db2.gz GDMROJIMIFUBJK-NQYYFHDYSA-N 1 3 363.502 0.780 20 0 FCADHO CN(C)[C@H](CNC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345299 489965447 /nfs/dbraw/zinc/96/54/47/489965447.db2.gz ALOYISKPPJQQCR-RBUKOAKNSA-N 1 3 359.518 0.385 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000477619960 489978623 /nfs/dbraw/zinc/97/86/23/489978623.db2.gz ZYXLPKLUDHOCLV-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000477639113 489980019 /nfs/dbraw/zinc/98/00/19/489980019.db2.gz DRRGFQZJGKTRSW-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000477639113 489980022 /nfs/dbraw/zinc/98/00/22/489980022.db2.gz DRRGFQZJGKTRSW-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000477651638 489981572 /nfs/dbraw/zinc/98/15/72/489981572.db2.gz JOHLBQIPGDQOCJ-INIZCTEOSA-N 1 3 368.522 0.450 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000477650999 489981907 /nfs/dbraw/zinc/98/19/07/489981907.db2.gz HVERXJFBGITYGU-MRXNPFEDSA-N 1 3 368.522 0.450 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000556082941 491293079 /nfs/dbraw/zinc/29/30/79/491293079.db2.gz WMTOPRKDQIKSDB-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO O=C(CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539483 490023835 /nfs/dbraw/zinc/02/38/35/490023835.db2.gz FKODEDWFXPYIHF-RDJZCZTQSA-N 1 3 359.474 0.990 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000420842987 490026035 /nfs/dbraw/zinc/02/60/35/490026035.db2.gz NQUIZZPSJDLWNF-INIZCTEOSA-N 1 3 353.511 0.714 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000479294024 490081501 /nfs/dbraw/zinc/08/15/01/490081501.db2.gz GIEVAIPNFNBUSZ-BRWVUGGUSA-N 1 3 360.458 0.514 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496266593 490109422 /nfs/dbraw/zinc/10/94/22/490109422.db2.gz NVOSAYZXAIDKLW-MRXNPFEDSA-N 1 3 367.538 0.071 20 0 FCADHO C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000479829407 490126808 /nfs/dbraw/zinc/12/68/08/490126808.db2.gz OTBDOKQWJDAGQE-CAOSSQGBSA-N 1 3 362.518 0.964 20 0 FCADHO C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000479829407 490126815 /nfs/dbraw/zinc/12/68/15/490126815.db2.gz OTBDOKQWJDAGQE-CAOSSQGBSA-N 1 3 362.518 0.964 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC2C[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000520370406 490138721 /nfs/dbraw/zinc/13/87/21/490138721.db2.gz JTXGUVJRTLXZIT-UHFFFAOYSA-N 1 3 359.474 0.552 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839718 490146625 /nfs/dbraw/zinc/14/66/25/490146625.db2.gz JJUXCQDMSIHEGR-OWCLPIDISA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839718 490146634 /nfs/dbraw/zinc/14/66/34/490146634.db2.gz JJUXCQDMSIHEGR-OWCLPIDISA-N 1 3 353.511 0.711 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000465915583 490150886 /nfs/dbraw/zinc/15/08/86/490150886.db2.gz AFENOTBQZIXZSD-QGZVFWFLSA-N 1 3 355.527 0.160 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000465915583 490150895 /nfs/dbraw/zinc/15/08/95/490150895.db2.gz AFENOTBQZIXZSD-QGZVFWFLSA-N 1 3 355.527 0.160 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556205409 491302928 /nfs/dbraw/zinc/30/29/28/491302928.db2.gz OWICLGHWSSVPHA-WMLDXEAASA-N 1 3 356.536 0.388 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000556205409 491302929 /nfs/dbraw/zinc/30/29/29/491302929.db2.gz OWICLGHWSSVPHA-WMLDXEAASA-N 1 3 356.536 0.388 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351979 491302948 /nfs/dbraw/zinc/30/29/48/491302948.db2.gz RFLSPTHSVDTUPF-ZWKOTPCHSA-N 1 3 371.485 0.604 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000556206675 491303111 /nfs/dbraw/zinc/30/31/11/491303111.db2.gz MPTMBWRBXMSMNZ-GOSISDBHSA-N 1 3 370.563 0.874 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272730 490156853 /nfs/dbraw/zinc/15/68/53/490156853.db2.gz UKNIZEZYJWMKSY-XTDOFWJNSA-N 1 3 366.506 0.223 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000446272730 490156857 /nfs/dbraw/zinc/15/68/57/490156857.db2.gz UKNIZEZYJWMKSY-XTDOFWJNSA-N 1 3 366.506 0.223 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466033506 490160233 /nfs/dbraw/zinc/16/02/33/490160233.db2.gz LDWJCNNWGCVCLO-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466033506 490160240 /nfs/dbraw/zinc/16/02/40/490160240.db2.gz LDWJCNNWGCVCLO-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000466150859 490168178 /nfs/dbraw/zinc/16/81/78/490168178.db2.gz VTVPNENVIHECQU-KRWDZBQOSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@@H]1CN(CCCN2CCOCC2)[C@@H](C)C[N@@H+]1CCCN1CCOCC1 ZINC000533085911 490171858 /nfs/dbraw/zinc/17/18/58/490171858.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1CN(CCCN2CCOCC2)[C@@H](C)C[N@H+]1CCCN1CCOCC1 ZINC000533085911 490171868 /nfs/dbraw/zinc/17/18/68/490171868.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1C[N@H+](CCCN2CCOCC2)[C@@H](C)CN1CCCN1CCOCC1 ZINC000533085911 490171872 /nfs/dbraw/zinc/17/18/72/490171872.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@@H](C)CN1CCCN1CCOCC1 ZINC000533085911 490171880 /nfs/dbraw/zinc/17/18/80/490171880.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000466233893 490172530 /nfs/dbraw/zinc/17/25/30/490172530.db2.gz FUNWMGFUOFRJHC-HYVNUMGLSA-N 1 3 365.522 0.711 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000466233893 490172536 /nfs/dbraw/zinc/17/25/36/490172536.db2.gz FUNWMGFUOFRJHC-HYVNUMGLSA-N 1 3 365.522 0.711 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000422126485 490178232 /nfs/dbraw/zinc/17/82/32/490178232.db2.gz WVNXXPQOFINNAS-SJORKVTESA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CCOCCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000507250590 490192480 /nfs/dbraw/zinc/19/24/80/490192480.db2.gz FVKORKNNIGQXFO-UHFFFAOYSA-N 1 3 356.511 0.585 20 0 FCADHO COc1ccc(S(=O)(=O)N2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000521406090 490257878 /nfs/dbraw/zinc/25/78/78/490257878.db2.gz HZEYVXPOJDXLPH-FVQHAEBGSA-N 1 3 351.472 0.656 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000422348746 490271825 /nfs/dbraw/zinc/27/18/25/490271825.db2.gz GDALEPAQOMABEA-GOSISDBHSA-N 1 3 372.513 0.754 20 0 FCADHO CNC(=O)C(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448208275 490319755 /nfs/dbraw/zinc/31/97/55/490319755.db2.gz GKYNLCWQSZZYOP-UHFFFAOYSA-N 1 3 353.511 0.616 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000571620056 491319285 /nfs/dbraw/zinc/31/92/85/491319285.db2.gz VPMZAGCATNUAKP-KRWDZBQOSA-N 1 3 368.522 0.356 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000422497011 490361424 /nfs/dbraw/zinc/36/14/24/490361424.db2.gz UYLXPNDSBULAGX-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000422497011 490361428 /nfs/dbraw/zinc/36/14/28/490361428.db2.gz UYLXPNDSBULAGX-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCN(CCC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000468294864 490382877 /nfs/dbraw/zinc/38/28/77/490382877.db2.gz GOKIIBYWNQONKW-UHFFFAOYSA-N 1 3 351.539 0.254 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000509485796 490432458 /nfs/dbraw/zinc/43/24/58/490432458.db2.gz CEGGIYGOIMEQOA-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000509709223 490454059 /nfs/dbraw/zinc/45/40/59/490454059.db2.gz AKTYAJHOANLONT-JKSUJKDBSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000509709223 490454065 /nfs/dbraw/zinc/45/40/65/490454065.db2.gz AKTYAJHOANLONT-JKSUJKDBSA-N 1 3 356.511 0.402 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]34CCC(=O)N3CCS4)CC2)CC1 ZINC000523305443 490455030 /nfs/dbraw/zinc/45/50/30/490455030.db2.gz OGMZNQZGZCLMJX-SFHVURJKSA-N 1 3 366.531 0.727 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523481632 490469725 /nfs/dbraw/zinc/46/97/25/490469725.db2.gz HZNSCOASKCUNDU-JKSUJKDBSA-N 1 3 355.527 0.959 20 0 FCADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985300 490511716 /nfs/dbraw/zinc/51/17/16/490511716.db2.gz DANHINDXLJBWQU-GVDBMIGSSA-N 1 3 360.506 0.999 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985300 490511723 /nfs/dbraw/zinc/51/17/23/490511723.db2.gz DANHINDXLJBWQU-GVDBMIGSSA-N 1 3 360.506 0.999 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1=O ZINC000510407054 490513670 /nfs/dbraw/zinc/51/36/70/490513670.db2.gz OYHYNSKVZZJJRL-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500470107 490521200 /nfs/dbraw/zinc/52/12/00/490521200.db2.gz XNCDACLEDKSYKE-UHFFFAOYSA-N 1 3 368.522 0.593 20 0 FCADHO CN1CCN(CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524390677 490534383 /nfs/dbraw/zinc/53/43/83/490534383.db2.gz BKDHDZOENDCZOW-FQEVSTJZSA-N 1 3 360.502 0.377 20 0 FCADHO CN1CCN(CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524390677 490534385 /nfs/dbraw/zinc/53/43/85/490534385.db2.gz BKDHDZOENDCZOW-FQEVSTJZSA-N 1 3 360.502 0.377 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524423813 490538381 /nfs/dbraw/zinc/53/83/81/490538381.db2.gz GXHNWWDIWBFYQW-SFHVURJKSA-N 1 3 367.538 0.256 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550000420 490619255 /nfs/dbraw/zinc/61/92/55/490619255.db2.gz HCFUGAWYUWTTET-UHFFFAOYSA-N 1 3 367.538 0.121 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501593995 490620713 /nfs/dbraw/zinc/62/07/13/490620713.db2.gz CZQIMLIWFMEYRR-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501593995 490620718 /nfs/dbraw/zinc/62/07/18/490620718.db2.gz CZQIMLIWFMEYRR-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501625240 490626161 /nfs/dbraw/zinc/62/61/61/490626161.db2.gz PIQOBKWMOCWCKC-KRWDZBQOSA-N 1 3 368.522 0.404 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501625240 490626163 /nfs/dbraw/zinc/62/61/63/490626163.db2.gz PIQOBKWMOCWCKC-KRWDZBQOSA-N 1 3 368.522 0.404 20 0 FCADHO COC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000525882720 490646022 /nfs/dbraw/zinc/64/60/22/490646022.db2.gz PQXYBRKUNARFIJ-UHFFFAOYSA-N 1 3 364.446 0.364 20 0 FCADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000565033639 491346938 /nfs/dbraw/zinc/34/69/38/491346938.db2.gz PIECVVYGKKUSHI-SFHVURJKSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512809772 490700006 /nfs/dbraw/zinc/70/00/06/490700006.db2.gz VWVNHBVABMRXTB-ROUUACIJSA-N 1 3 367.538 0.255 20 0 FCADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512809772 490700009 /nfs/dbraw/zinc/70/00/09/490700009.db2.gz VWVNHBVABMRXTB-ROUUACIJSA-N 1 3 367.538 0.255 20 0 FCADHO CC(C)[N@@H+]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512810237 490700124 /nfs/dbraw/zinc/70/01/24/490700124.db2.gz YWAIKIKMNFKHSI-UHFFFAOYSA-N 1 3 369.554 0.502 20 0 FCADHO CC(C)[N@H+]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512810237 490700129 /nfs/dbraw/zinc/70/01/29/490700129.db2.gz YWAIKIKMNFKHSI-UHFFFAOYSA-N 1 3 369.554 0.502 20 0 FCADHO Cc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1CC(C)C ZINC000527124373 490701471 /nfs/dbraw/zinc/70/14/71/490701471.db2.gz VYDOCAYAGVNKGX-UHFFFAOYSA-N 1 3 366.510 0.738 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000565039854 491347713 /nfs/dbraw/zinc/34/77/13/491347713.db2.gz HKOCHHTXGDYVHH-SFHVURJKSA-N 1 3 361.490 0.472 20 0 FCADHO COc1cccc(C(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527368163 490720008 /nfs/dbraw/zinc/72/00/08/490720008.db2.gz XKGFFBIKJQVLHK-UHFFFAOYSA-N 1 3 350.463 0.377 20 0 FCADHO COc1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C(N)=O ZINC000527381788 490722100 /nfs/dbraw/zinc/72/21/00/490722100.db2.gz JBBPOYKTKRQXAA-UHFFFAOYSA-N 1 3 352.439 0.146 20 0 FCADHO C[C@@H](CNC(=O)COCC(=O)NC[C@H](C)[NH+]1CCCC1)N1CCCC1 ZINC000538274095 490724555 /nfs/dbraw/zinc/72/45/55/490724555.db2.gz GPFAIQCLLDUSPM-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ncnn1-c1ccccc1 ZINC000527458517 490726340 /nfs/dbraw/zinc/72/63/40/490726340.db2.gz UVIFTFOVDZRLQF-UHFFFAOYSA-N 1 3 359.478 0.902 20 0 FCADHO CC(C)[NH+]1CCC(N2CCN(CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000514073921 490761182 /nfs/dbraw/zinc/76/11/82/490761182.db2.gz FROPAOFWZNSVMC-UHFFFAOYSA-N 1 3 365.566 0.641 20 0 FCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000557113386 491354219 /nfs/dbraw/zinc/35/42/19/491354219.db2.gz BPNJYLJHBYKQPB-LJQANCHMSA-N 1 3 359.518 0.896 20 0 FCADHO C[C@H](NCCN1CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000514596399 490773636 /nfs/dbraw/zinc/77/36/36/490773636.db2.gz VUBGPSUTXQJWIX-HNNXBMFYSA-N 1 3 352.504 0.782 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000514661660 490778441 /nfs/dbraw/zinc/77/84/41/490778441.db2.gz KBXPVAPWAISKMZ-LSDHHAIUSA-N 1 3 360.458 0.906 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000515673283 490835032 /nfs/dbraw/zinc/83/50/32/490835032.db2.gz SWRNKXRCKRQUGH-BZUAXINKSA-N 1 3 351.495 0.450 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000515673283 490835034 /nfs/dbraw/zinc/83/50/34/490835034.db2.gz SWRNKXRCKRQUGH-BZUAXINKSA-N 1 3 351.495 0.450 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCSc1nnnn1C ZINC000505766330 490839108 /nfs/dbraw/zinc/83/91/08/490839108.db2.gz ODVFLLXTJJPUOK-AWEZNQCLSA-N 1 3 369.539 0.567 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCSc1nnnn1C ZINC000505766330 490839109 /nfs/dbraw/zinc/83/91/09/490839109.db2.gz ODVFLLXTJJPUOK-AWEZNQCLSA-N 1 3 369.539 0.567 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224459 491361378 /nfs/dbraw/zinc/36/13/78/491361378.db2.gz JENATBPKJNDRCU-LPHOPBHVSA-N 1 3 360.458 0.496 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224459 491361380 /nfs/dbraw/zinc/36/13/80/491361380.db2.gz JENATBPKJNDRCU-LPHOPBHVSA-N 1 3 360.458 0.496 20 0 FCADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000516059001 490848193 /nfs/dbraw/zinc/84/81/93/490848193.db2.gz VGRVPYWDAUHJMN-AWEZNQCLSA-N 1 3 352.483 0.524 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529308940 490849893 /nfs/dbraw/zinc/84/98/93/490849893.db2.gz WUUJYOVGPWLAJB-OAHLLOKOSA-N 1 3 351.495 0.513 20 0 FCADHO O=C(C[C@H]1CSCCN1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000516177682 490854739 /nfs/dbraw/zinc/85/47/39/490854739.db2.gz WWFKQKXCWQLXNK-SOUVJXGZSA-N 1 3 354.520 0.188 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCO1 ZINC000516207290 490856568 /nfs/dbraw/zinc/85/65/68/490856568.db2.gz MSHUZCGXGSYJKD-IRXDYDNUSA-N 1 3 366.506 0.300 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCO1 ZINC000516207290 490856569 /nfs/dbraw/zinc/85/65/69/490856569.db2.gz MSHUZCGXGSYJKD-IRXDYDNUSA-N 1 3 366.506 0.300 20 0 FCADHO CN1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@@H](CN)C1 ZINC000557199034 491359319 /nfs/dbraw/zinc/35/93/19/491359319.db2.gz KXKZRUWNESFAJE-INIZCTEOSA-N 1 3 364.494 0.196 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCCO4)C2)C1 ZINC000516914796 490884287 /nfs/dbraw/zinc/88/42/87/490884287.db2.gz KWJDISBFRCQEOC-IBGZPJMESA-N 1 3 358.442 0.661 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCCO4)C2)C1 ZINC000516914796 490884290 /nfs/dbraw/zinc/88/42/90/490884290.db2.gz KWJDISBFRCQEOC-IBGZPJMESA-N 1 3 358.442 0.661 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241536 490895333 /nfs/dbraw/zinc/89/53/33/490895333.db2.gz QQOVSBDFSRUPCJ-DJIMGWMZSA-N 1 3 366.506 0.189 20 0 FCADHO O=C1c2ccccc2C(=O)N1CC[NH2+]CCCCN1CCN(CCO)CC1 ZINC000517215754 490899448 /nfs/dbraw/zinc/89/94/48/490899448.db2.gz NRFANTMXPOHJCR-UHFFFAOYSA-N 1 3 374.485 0.262 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000542777821 490908859 /nfs/dbraw/zinc/90/88/59/490908859.db2.gz CCWGOKQUBDSPMG-WBVHZDCISA-N 1 3 365.522 0.665 20 0 FCADHO C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062792 490939486 /nfs/dbraw/zinc/93/94/86/490939486.db2.gz GTKTXEGBFROQIG-WIYYLYMNSA-N 1 3 374.529 0.623 20 0 FCADHO C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062792 490939489 /nfs/dbraw/zinc/93/94/89/490939489.db2.gz GTKTXEGBFROQIG-WIYYLYMNSA-N 1 3 374.529 0.623 20 0 FCADHO CC[NH+]1CCN(CCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000531281584 490950128 /nfs/dbraw/zinc/95/01/28/490950128.db2.gz PBBANDNOOJGSAR-UHFFFAOYSA-N 1 3 360.506 0.800 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000531357608 490953382 /nfs/dbraw/zinc/95/33/82/490953382.db2.gz IGZAPSWWAWUALQ-UHFFFAOYSA-N 1 3 359.474 0.692 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000519129604 490962285 /nfs/dbraw/zinc/96/22/85/490962285.db2.gz FBODPZFYGQPGIM-CVEARBPZSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000519129604 490962286 /nfs/dbraw/zinc/96/22/86/490962286.db2.gz FBODPZFYGQPGIM-CVEARBPZSA-N 1 3 355.527 0.957 20 0 FCADHO CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000544685791 490976636 /nfs/dbraw/zinc/97/66/36/490976636.db2.gz RJJKYTSNPGHNBM-HRCADAONSA-N 1 3 368.547 0.435 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CN1C1CC1 ZINC000519567632 490977199 /nfs/dbraw/zinc/97/71/99/490977199.db2.gz MEQZICNPKFBIRX-VYDXJSESSA-N 1 3 366.506 0.297 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000519691293 490984258 /nfs/dbraw/zinc/98/42/58/490984258.db2.gz RWLPSFPXOGRLIR-YRGRVCCFSA-N 1 3 363.428 0.747 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000668348667 493335842 /nfs/dbraw/zinc/33/58/42/493335842.db2.gz ZHEPWBHUBIAVKW-KRWDZBQOSA-N 1 3 368.522 0.591 20 0 FCADHO CCc1nc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000554047615 491173561 /nfs/dbraw/zinc/17/35/61/491173561.db2.gz OUSLEKFUJOIHFW-ZDUSSCGKSA-N 1 3 369.535 0.835 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000562692480 491181806 /nfs/dbraw/zinc/18/18/06/491181806.db2.gz UWRUQNCYQSRHKC-UHFFFAOYSA-N 1 3 370.444 0.875 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000557561016 491382981 /nfs/dbraw/zinc/38/29/81/491382981.db2.gz DNQPPJJBSLNGMW-ZBFHGGJFSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000557561016 491382984 /nfs/dbraw/zinc/38/29/84/491382984.db2.gz DNQPPJJBSLNGMW-ZBFHGGJFSA-N 1 3 354.495 0.155 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCCCC2)C1 ZINC000565702970 491394406 /nfs/dbraw/zinc/39/44/06/491394406.db2.gz COULNVCQCIZLEE-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO Cc1nn(C)c2cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc12 ZINC000565866618 491404219 /nfs/dbraw/zinc/40/42/19/491404219.db2.gz XCOVVFMEVYOZIL-UHFFFAOYSA-N 1 3 374.489 0.772 20 0 FCADHO CN1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@H](CN)C1 ZINC000572975357 491404907 /nfs/dbraw/zinc/40/49/07/491404907.db2.gz FUGFLDINNLMGCT-QGZVFWFLSA-N 1 3 363.506 0.801 20 0 FCADHO O=C(NCCN1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000565881373 491405151 /nfs/dbraw/zinc/40/51/51/491405151.db2.gz JLWWDQGSMAZBRP-UHFFFAOYSA-N 1 3 369.579 0.943 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@@H](C)C1 ZINC000565904041 491406208 /nfs/dbraw/zinc/40/62/08/491406208.db2.gz BEUKKQZCJGJVAU-DOTOQJQBSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@@H](C)C1 ZINC000565904041 491406209 /nfs/dbraw/zinc/40/62/09/491406209.db2.gz BEUKKQZCJGJVAU-DOTOQJQBSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000565904053 491406247 /nfs/dbraw/zinc/40/62/47/491406247.db2.gz BEUKKQZCJGJVAU-NVXWUHKLSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000565904053 491406248 /nfs/dbraw/zinc/40/62/48/491406248.db2.gz BEUKKQZCJGJVAU-NVXWUHKLSA-N 1 3 368.522 0.450 20 0 FCADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000573022996 491407804 /nfs/dbraw/zinc/40/78/04/491407804.db2.gz MOMSEZDDIMRNMM-QZTJIDSGSA-N 1 3 373.501 0.982 20 0 FCADHO CN(C)CCOc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)ccn1 ZINC000573091191 491412136 /nfs/dbraw/zinc/41/21/36/491412136.db2.gz XSMPVGAAQWKYOP-UHFFFAOYSA-N 1 3 361.446 0.632 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573132127 491414873 /nfs/dbraw/zinc/41/48/73/491414873.db2.gz JHCKLDIBWYBRIU-DLBZAZTESA-N 1 3 366.506 0.033 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1F ZINC000573187665 491417669 /nfs/dbraw/zinc/41/76/69/491417669.db2.gz BMNXCRBWUYESOV-ZDUSSCGKSA-N 1 3 366.437 0.902 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000573192405 491417893 /nfs/dbraw/zinc/41/78/93/491417893.db2.gz NLOMSROXHKHWKE-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO O=C(NC[C@H]1CCCN1CCCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321424 491426084 /nfs/dbraw/zinc/42/60/84/491426084.db2.gz UVNVJLVIKCZFKV-QUCCMNQESA-N 1 3 361.486 0.586 20 0 FCADHO O=C(NC[C@H]1CCCN1CCCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321424 491426085 /nfs/dbraw/zinc/42/60/85/491426085.db2.gz UVNVJLVIKCZFKV-QUCCMNQESA-N 1 3 361.486 0.586 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000573476571 491435976 /nfs/dbraw/zinc/43/59/76/491435976.db2.gz SOFZCGDPECVJIS-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000558616083 491438719 /nfs/dbraw/zinc/43/87/19/491438719.db2.gz WEOPFHYJVHWXHZ-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000558616083 491438721 /nfs/dbraw/zinc/43/87/21/491438721.db2.gz WEOPFHYJVHWXHZ-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000566508779 491449956 /nfs/dbraw/zinc/44/99/56/491449956.db2.gz ZCXDWKPLRVINEC-IXDOHACOSA-N 1 3 357.458 0.214 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911780 491474811 /nfs/dbraw/zinc/47/48/11/491474811.db2.gz MXOOUNIQEKIFPA-RXVVDRJESA-N 1 3 372.513 0.977 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000559590614 491483641 /nfs/dbraw/zinc/48/36/41/491483641.db2.gz RYZZHIKNILXHGK-UHFFFAOYSA-N 1 3 366.506 0.299 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559864302 491506110 /nfs/dbraw/zinc/50/61/10/491506110.db2.gz HVPGKAYGXVDEID-VKJFTORMSA-N 1 3 368.547 0.625 20 0 FCADHO COC[C@]1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496288 491509844 /nfs/dbraw/zinc/50/98/44/491509844.db2.gz VAXMFPCUGPYXJD-UZLBHIALSA-N 1 3 374.485 0.949 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529277 491512196 /nfs/dbraw/zinc/51/21/96/491512196.db2.gz LXHLNYATNWMCSX-QAPCUYQASA-N 1 3 370.563 0.778 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1)C[NH+](C)C ZINC000559973196 491512884 /nfs/dbraw/zinc/51/28/84/491512884.db2.gz MNNHCHABGQXFIJ-AWEZNQCLSA-N 1 3 350.463 0.879 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560027859 491516689 /nfs/dbraw/zinc/51/66/89/491516689.db2.gz MOJZQRSGUUKVGD-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560027859 491516691 /nfs/dbraw/zinc/51/66/91/491516691.db2.gz MOJZQRSGUUKVGD-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)n2)CC1 ZINC000560150985 491521318 /nfs/dbraw/zinc/52/13/18/491521318.db2.gz DMYMPWIPKVCCFM-IBGZPJMESA-N 1 3 374.489 0.643 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)n2)CC1 ZINC000560150985 491521320 /nfs/dbraw/zinc/52/13/20/491521320.db2.gz DMYMPWIPKVCCFM-IBGZPJMESA-N 1 3 374.489 0.643 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583404 493348571 /nfs/dbraw/zinc/34/85/71/493348571.db2.gz LDVDVPTZSDSFGR-IRXDYDNUSA-N 1 3 368.522 0.329 20 0 FCADHO [NH3+]Cc1ccc(CNC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000567821255 491532007 /nfs/dbraw/zinc/53/20/07/491532007.db2.gz XPUKEBNBMWBKAO-UHFFFAOYSA-N 1 3 363.506 0.335 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCC(C)CC1 ZINC000560763095 491555537 /nfs/dbraw/zinc/55/55/37/491555537.db2.gz LOESDANNJKWLQI-HOTGVXAUSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CCC(C)CC1 ZINC000560763095 491555538 /nfs/dbraw/zinc/55/55/38/491555538.db2.gz LOESDANNJKWLQI-HOTGVXAUSA-N 1 3 350.507 0.990 20 0 FCADHO CC[NH+](CC)CCOc1cc(NC(=O)C(=O)NC2CNC2)ccc1OC ZINC000575775717 491560310 /nfs/dbraw/zinc/56/03/10/491560310.db2.gz GYZLSVSAYINIST-UHFFFAOYSA-N 1 3 364.446 0.442 20 0 FCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000561148420 491578629 /nfs/dbraw/zinc/57/86/29/491578629.db2.gz YTJBQJJMAKPMPQ-MOPGFXCFSA-N 1 3 357.502 0.950 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000576210456 491592641 /nfs/dbraw/zinc/59/26/41/491592641.db2.gz OMKOQISWUFSECI-UHFFFAOYSA-N 1 3 368.522 0.639 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000568737318 491604733 /nfs/dbraw/zinc/60/47/33/491604733.db2.gz JVXPWISBGDLRRC-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)CCC[NH3+])c2)CC1 ZINC000576371718 491609074 /nfs/dbraw/zinc/60/90/74/491609074.db2.gz PRDVMOPIMYFYAY-UHFFFAOYSA-N 1 3 361.490 0.963 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)CCN2C1=O ZINC000569121094 491635704 /nfs/dbraw/zinc/63/57/04/491635704.db2.gz BWKDTRCMSQKNKL-KSZLIROESA-N 1 3 367.453 0.793 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569251164 491646600 /nfs/dbraw/zinc/64/66/00/491646600.db2.gz JPCGDCXKOSKXMA-GOEBONIOSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569251164 491646603 /nfs/dbraw/zinc/64/66/03/491646603.db2.gz JPCGDCXKOSKXMA-GOEBONIOSA-N 1 3 350.507 0.824 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@H]3C(=O)OC)CC2)CC1 ZINC000569256901 491647095 /nfs/dbraw/zinc/64/70/95/491647095.db2.gz NYNRXIJBOYHQNQ-SJORKVTESA-N 1 3 367.490 0.318 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCC1 ZINC000562012375 491648006 /nfs/dbraw/zinc/64/80/06/491648006.db2.gz USFBSCAJBSHLHN-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900449 491655031 /nfs/dbraw/zinc/65/50/31/491655031.db2.gz CXGVOWSDCZRWCO-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900449 491655032 /nfs/dbraw/zinc/65/50/32/491655032.db2.gz CXGVOWSDCZRWCO-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000578307967 491674234 /nfs/dbraw/zinc/67/42/34/491674234.db2.gz LQUQZVYAGISDMT-UHFFFAOYSA-N 1 3 372.391 0.684 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610394 491680758 /nfs/dbraw/zinc/68/07/58/491680758.db2.gz PFKCHLUHHYNIKD-UUAJXVIYSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000578745402 491683409 /nfs/dbraw/zinc/68/34/09/491683409.db2.gz RZPZTIYCQWZCKE-FUHWJXTLSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C[NH+]1CCCC1 ZINC000579138010 491691851 /nfs/dbraw/zinc/69/18/51/491691851.db2.gz LKPLIZRRWLKVAV-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000579226344 491693502 /nfs/dbraw/zinc/69/35/02/491693502.db2.gz FSBXPFHEPWVJDH-SFHVURJKSA-N 1 3 374.485 0.128 20 0 FCADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000579259590 491694301 /nfs/dbraw/zinc/69/43/01/491694301.db2.gz XLLYKTJBVPQCHA-AEFFLSMTSA-N 1 3 374.485 0.791 20 0 FCADHO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579391862 491697194 /nfs/dbraw/zinc/69/71/94/491697194.db2.gz IDPSKMJEBMDFLJ-HUUCEWRRSA-N 1 3 358.552 0.729 20 0 FCADHO CN1CCN(C(=O)CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822370 491705945 /nfs/dbraw/zinc/70/59/45/491705945.db2.gz BMOMZYBHRAFHJS-YLJYHZDGSA-N 1 3 358.486 0.996 20 0 FCADHO Cc1cc(Cn2nnc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2C)no1 ZINC000584795927 491714785 /nfs/dbraw/zinc/71/47/85/491714785.db2.gz OQRFBMAZOAWQTO-UHFFFAOYSA-N 1 3 363.466 0.497 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580073713 491716257 /nfs/dbraw/zinc/71/62/57/491716257.db2.gz PSWQPNYEYYPDKC-LSDHHAIUSA-N 1 3 355.508 0.434 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000580075078 491716338 /nfs/dbraw/zinc/71/63/38/491716338.db2.gz UEEYQWWQRYDRRN-UONOGXRCSA-N 1 3 350.463 0.485 20 0 FCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000580777114 491745358 /nfs/dbraw/zinc/74/53/58/491745358.db2.gz JILWUQIXSQVRTG-OALUTQOASA-N 1 3 360.502 0.157 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000581839540 491787092 /nfs/dbraw/zinc/78/70/92/491787092.db2.gz LSOGUPFFAUHFSY-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@@H]1[NH3+] ZINC000584226607 491860964 /nfs/dbraw/zinc/86/09/64/491860964.db2.gz CHUWXHHXDCDIIL-LEUOFYLZSA-N 1 3 356.470 0.525 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CN1C1CC1 ZINC000611638348 491864620 /nfs/dbraw/zinc/86/46/20/491864620.db2.gz SKRCDUDSNNNULR-FRFSOERESA-N 1 3 364.490 0.097 20 0 FCADHO CC[C@H](C(=O)N[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(F)(F)F)N(C)C ZINC000612464704 491921689 /nfs/dbraw/zinc/92/16/89/491921689.db2.gz MYXVMQCAOYVENM-UTUOFQBUSA-N 1 3 354.417 0.830 20 0 FCADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(F)(F)F)N(C)C ZINC000612464704 491921692 /nfs/dbraw/zinc/92/16/92/491921692.db2.gz MYXVMQCAOYVENM-UTUOFQBUSA-N 1 3 354.417 0.830 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612597199 491937410 /nfs/dbraw/zinc/93/74/10/491937410.db2.gz CJGRNRVEMQLPIK-MRXNPFEDSA-N 1 3 354.495 0.155 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612598763 491938066 /nfs/dbraw/zinc/93/80/66/491938066.db2.gz IYOOSHXBEFOMOT-IRXDYDNUSA-N 1 3 366.506 0.345 20 0 FCADHO [NH3+][C@@H](CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612914482 491958458 /nfs/dbraw/zinc/95/84/58/491958458.db2.gz FDKROKQFGWSDBV-CABCVRRESA-N 1 3 361.494 0.446 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969773 491960313 /nfs/dbraw/zinc/96/03/13/491960313.db2.gz GEXGFUXHDNWZIU-OAHLLOKOSA-N 1 3 351.495 0.370 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974021 491960699 /nfs/dbraw/zinc/96/06/99/491960699.db2.gz NNLBASVWTANSOS-HUUCEWRRSA-N 1 3 351.495 0.370 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000595957000 491965224 /nfs/dbraw/zinc/96/52/24/491965224.db2.gz SIZFXFLDQGVVPQ-HNNXBMFYSA-N 1 3 365.396 0.920 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000605876144 492104481 /nfs/dbraw/zinc/10/44/81/492104481.db2.gz DGAAQCWQJVQTCK-QGZVFWFLSA-N 1 3 363.506 0.420 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000605876144 492104483 /nfs/dbraw/zinc/10/44/83/492104483.db2.gz DGAAQCWQJVQTCK-QGZVFWFLSA-N 1 3 363.506 0.420 20 0 FCADHO COC(=O)Cc1csc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000609135025 492198410 /nfs/dbraw/zinc/19/84/10/492198410.db2.gz SEDAGDYKPWEUMX-UHFFFAOYSA-N 1 3 357.480 0.816 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000647597155 492331754 /nfs/dbraw/zinc/33/17/54/492331754.db2.gz QFGXXTYQSKQCJJ-JKSUJKDBSA-N 1 3 367.538 0.105 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642104451 492334718 /nfs/dbraw/zinc/33/47/18/492334718.db2.gz UNPXXTMSGFYWQM-BZSNNMDCSA-N 1 3 358.486 0.486 20 0 FCADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642189647 492339066 /nfs/dbraw/zinc/33/90/66/492339066.db2.gz DJETXGAIRLQFMA-ZWKOTPCHSA-N 1 3 374.485 0.128 20 0 FCADHO CN(CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642302691 492349477 /nfs/dbraw/zinc/34/94/77/492349477.db2.gz VDCNYJPTTJRASR-QZTJIDSGSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642330426 492351728 /nfs/dbraw/zinc/35/17/28/492351728.db2.gz HVRWYVPNQBLDIO-DNVCBOLYSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642330388 492352000 /nfs/dbraw/zinc/35/20/00/492352000.db2.gz DAIVEZAVQHSNJQ-QRJUGERDSA-N 1 3 354.495 0.044 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642330443 492352308 /nfs/dbraw/zinc/35/23/08/492352308.db2.gz KIEYYADTZMATMP-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CCN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814675 492364963 /nfs/dbraw/zinc/36/49/63/492364963.db2.gz ZHUMSHZOJUYHGB-UHFFFAOYSA-N 1 3 366.487 0.879 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647814675 492364967 /nfs/dbraw/zinc/36/49/67/492364967.db2.gz ZHUMSHZOJUYHGB-UHFFFAOYSA-N 1 3 366.487 0.879 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647814675 492364970 /nfs/dbraw/zinc/36/49/70/492364970.db2.gz ZHUMSHZOJUYHGB-UHFFFAOYSA-N 1 3 366.487 0.879 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)CC1 ZINC000654867217 492365156 /nfs/dbraw/zinc/36/51/56/492365156.db2.gz KAGCFVOFJBYBST-QGZVFWFLSA-N 1 3 363.506 0.419 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640623 492368172 /nfs/dbraw/zinc/36/81/72/492368172.db2.gz BXCBWDLAJOSQJP-BZZMCLGOSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640623 492368173 /nfs/dbraw/zinc/36/81/73/492368173.db2.gz BXCBWDLAJOSQJP-BZZMCLGOSA-N 1 3 358.486 0.867 20 0 FCADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977327 492390740 /nfs/dbraw/zinc/39/07/40/492390740.db2.gz AAABHPVMUQXVSN-GJZGRUSLSA-N 1 3 355.508 0.410 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642787236 492391537 /nfs/dbraw/zinc/39/15/37/492391537.db2.gz YNOJHJYCPJBMAW-FUHWJXTLSA-N 1 3 371.485 0.625 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958474 492406538 /nfs/dbraw/zinc/40/65/38/492406538.db2.gz AJJZJGUHOZZFOA-ZBFHGGJFSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958474 492406539 /nfs/dbraw/zinc/40/65/39/492406539.db2.gz AJJZJGUHOZZFOA-ZBFHGGJFSA-N 1 3 366.506 0.693 20 0 FCADHO NC[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000642960645 492407536 /nfs/dbraw/zinc/40/75/36/492407536.db2.gz QIEYGPMMMUBQJM-KRWDZBQOSA-N 1 3 350.507 0.955 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982002 492410319 /nfs/dbraw/zinc/41/03/19/492410319.db2.gz NKBKWTWQFBSIOA-AWEZNQCLSA-N 1 3 352.504 0.897 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643014623 492414308 /nfs/dbraw/zinc/41/43/08/492414308.db2.gz LYVIAZQJGFFECB-OWCLPIDISA-N 1 3 357.458 0.235 20 0 FCADHO Cc1coc(CC(=O)NC[C@H](C)[NH+](C)C)c1C(=O)NC[C@H](C)N(C)C ZINC000635255276 492423582 /nfs/dbraw/zinc/42/35/82/492423582.db2.gz PIHDRXPENVAZPY-KBPBESRZSA-N 1 3 352.479 0.877 20 0 FCADHO Cc1coc(CC(=O)NC[C@H](C)N(C)C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000635255276 492423585 /nfs/dbraw/zinc/42/35/85/492423585.db2.gz PIHDRXPENVAZPY-KBPBESRZSA-N 1 3 352.479 0.877 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000655596004 492461918 /nfs/dbraw/zinc/46/19/18/492461918.db2.gz WVRAJFMLXCDPNB-MRXNPFEDSA-N 1 3 353.511 0.762 20 0 FCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655714371 492478125 /nfs/dbraw/zinc/47/81/25/492478125.db2.gz BRPNZIJTYYBDAY-FUHWJXTLSA-N 1 3 352.523 0.807 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000643531879 492492505 /nfs/dbraw/zinc/49/25/05/492492505.db2.gz RFVJRLFMBOEXJA-FXAWDEMLSA-N 1 3 358.486 0.917 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643567604 492499878 /nfs/dbraw/zinc/49/98/78/492499878.db2.gz XOJUIBXNLIDIDM-QZTJIDSGSA-N 1 3 358.486 0.930 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000655976134 492499950 /nfs/dbraw/zinc/49/99/50/492499950.db2.gz ZMKRDQKESGFKAH-OAGGEKHMSA-N 1 3 351.495 0.500 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@@H](N3CCCCC3)C2)nn1 ZINC000649322368 492533566 /nfs/dbraw/zinc/53/35/66/492533566.db2.gz PKTVATXRPSBNQB-HLLBOEOZSA-N 1 3 362.478 0.067 20 0 FCADHO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)CC[C@H]1[NH3+] ZINC000649358934 492547207 /nfs/dbraw/zinc/54/72/07/492547207.db2.gz JFDQBBCMBRENHW-WCXIOVBPSA-N 1 3 350.507 0.905 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354743 492547454 /nfs/dbraw/zinc/54/74/54/492547454.db2.gz IOUZZWZIPNHPFN-RDJZCZTQSA-N 1 3 371.485 0.999 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnc3c(c2)CNCC3)CC1=O ZINC000649354743 492547456 /nfs/dbraw/zinc/54/74/56/492547456.db2.gz IOUZZWZIPNHPFN-RDJZCZTQSA-N 1 3 371.485 0.999 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000636289633 492576550 /nfs/dbraw/zinc/57/65/50/492576550.db2.gz XQRBOJOROJLBPW-DLBZAZTESA-N 1 3 351.491 0.953 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000636289633 492576554 /nfs/dbraw/zinc/57/65/54/492576554.db2.gz XQRBOJOROJLBPW-DLBZAZTESA-N 1 3 351.491 0.953 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000636289637 492576848 /nfs/dbraw/zinc/57/68/48/492576848.db2.gz XQRBOJOROJLBPW-IRXDYDNUSA-N 1 3 351.491 0.953 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000636289637 492576850 /nfs/dbraw/zinc/57/68/50/492576850.db2.gz XQRBOJOROJLBPW-IRXDYDNUSA-N 1 3 351.491 0.953 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656304822 492579305 /nfs/dbraw/zinc/57/93/05/492579305.db2.gz ICBUIHUEHIDMTE-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000629418150 492624645 /nfs/dbraw/zinc/62/46/45/492624645.db2.gz MVAQWKBBDXEFHL-QGZVFWFLSA-N 1 3 350.507 0.480 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000629418150 492624647 /nfs/dbraw/zinc/62/46/47/492624647.db2.gz MVAQWKBBDXEFHL-QGZVFWFLSA-N 1 3 350.507 0.480 20 0 FCADHO O[C@H](C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)CN1CCCC1 ZINC000629554901 492644276 /nfs/dbraw/zinc/64/42/76/492644276.db2.gz UUIKIDZBDNKVMR-LJQANCHMSA-N 1 3 350.482 0.994 20 0 FCADHO CN1CCN(c2ncc(CN3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cn2)CC1 ZINC000650707092 492663495 /nfs/dbraw/zinc/66/34/95/492663495.db2.gz YICJULYDGDLHNG-IPMKNSEASA-N 1 3 374.533 0.947 20 0 FCADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000629804922 492681261 /nfs/dbraw/zinc/68/12/61/492681261.db2.gz WHOJSDIVOXZBSQ-UHFFFAOYSA-N 1 3 370.538 0.779 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000651263755 492729914 /nfs/dbraw/zinc/72/99/14/492729914.db2.gz GSNSBWGNSXAAEI-UHFFFAOYSA-N 1 3 365.526 0.966 20 0 FCADHO CCN1C[C@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317227 492741552 /nfs/dbraw/zinc/74/15/52/492741552.db2.gz GQEKPYFKOVXHMJ-IRXDYDNUSA-N 1 3 367.538 0.912 20 0 FCADHO CCN1C[C@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000651317227 492741558 /nfs/dbraw/zinc/74/15/58/492741558.db2.gz GQEKPYFKOVXHMJ-IRXDYDNUSA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439647 492757811 /nfs/dbraw/zinc/75/78/11/492757811.db2.gz RXYPCLOBHOYUCN-PKOBYXMFSA-N 1 3 370.538 0.976 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651439647 492757814 /nfs/dbraw/zinc/75/78/14/492757814.db2.gz RXYPCLOBHOYUCN-PKOBYXMFSA-N 1 3 370.538 0.976 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630889247 492781880 /nfs/dbraw/zinc/78/18/80/492781880.db2.gz KESGAUSOKABCDY-INIZCTEOSA-N 1 3 364.494 0.117 20 0 FCADHO Cc1cn2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc2n1 ZINC000657839067 492801428 /nfs/dbraw/zinc/80/14/28/492801428.db2.gz KZBJNFBAVQCTIW-UHFFFAOYSA-N 1 3 360.462 0.533 20 0 FCADHO CCn1nncc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000637298259 492807584 /nfs/dbraw/zinc/80/75/84/492807584.db2.gz IIZPLXCBTGQXTH-HNNXBMFYSA-N 1 3 351.499 0.856 20 0 FCADHO CCn1nncc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000637298259 492807588 /nfs/dbraw/zinc/80/75/88/492807588.db2.gz IIZPLXCBTGQXTH-HNNXBMFYSA-N 1 3 351.499 0.856 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000658118039 492840634 /nfs/dbraw/zinc/84/06/34/492840634.db2.gz BMVGRXNSIGNZKB-CQSZACIVSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000658118039 492840635 /nfs/dbraw/zinc/84/06/35/492840635.db2.gz BMVGRXNSIGNZKB-CQSZACIVSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000637669517 492856897 /nfs/dbraw/zinc/85/68/97/492856897.db2.gz NBGAJWRDLJTFIW-MRXNPFEDSA-N 1 3 350.467 0.944 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3CCN(C)C[C@H]3C[NH3+])ccc2[nH]c1=O ZINC000637866545 492872533 /nfs/dbraw/zinc/87/25/33/492872533.db2.gz MXDVTJKNVOKOMX-CQSZACIVSA-N 1 3 360.462 0.018 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CNCC[C@@H]1c1cccc(F)c1 ZINC000631950780 492896902 /nfs/dbraw/zinc/89/69/02/492896902.db2.gz PUEZXJKVNCBEHC-IAGOWNOFSA-N 1 3 370.494 0.789 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645472879 492911890 /nfs/dbraw/zinc/91/18/90/492911890.db2.gz PZUPFHPUKMDYLM-GOSISDBHSA-N 1 3 358.486 0.898 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638137073 492915259 /nfs/dbraw/zinc/91/52/59/492915259.db2.gz QZAPFRULKQRWAN-UHFFFAOYSA-N 1 3 359.518 0.346 20 0 FCADHO COC[C@@]1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC[NH2+]C1 ZINC000645507826 492915995 /nfs/dbraw/zinc/91/59/95/492915995.db2.gz XHQWWGBRUHKVOM-HXUWFJFHSA-N 1 3 360.502 0.676 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140136 492916739 /nfs/dbraw/zinc/91/67/39/492916739.db2.gz VNSKBBHOKVLLKT-MJGOQNOKSA-N 1 3 360.502 0.803 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140136 492916741 /nfs/dbraw/zinc/91/67/41/492916741.db2.gz VNSKBBHOKVLLKT-MJGOQNOKSA-N 1 3 360.502 0.803 20 0 FCADHO CN(C)CCn1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000638221466 492923866 /nfs/dbraw/zinc/92/38/66/492923866.db2.gz XAKZSHKQDZHOIW-CYBMUJFWSA-N 1 3 362.400 0.011 20 0 FCADHO O=C(CN1CCNCC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000638357032 492940663 /nfs/dbraw/zinc/94/06/63/492940663.db2.gz UQYIAQFQTPJKGY-UHFFFAOYSA-N 1 3 360.506 0.488 20 0 FCADHO C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000632160823 492940895 /nfs/dbraw/zinc/94/08/95/492940895.db2.gz LEQLKBPHDPKQGX-ROUUACIJSA-N 1 3 372.579 0.760 20 0 FCADHO CN1CCC([NH+]2CCC(NCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000638458561 492948869 /nfs/dbraw/zinc/94/88/69/492948869.db2.gz FFZNUUUBHLXFNJ-UHFFFAOYSA-N 1 3 366.531 0.982 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1=O ZINC000638562844 492961150 /nfs/dbraw/zinc/96/11/50/492961150.db2.gz ZYJZIXSQTXTZRO-AGIUHOORSA-N 1 3 364.412 0.382 20 0 FCADHO NS(=O)(=O)c1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000638748046 492975115 /nfs/dbraw/zinc/97/51/15/492975115.db2.gz GSCCGVFNIZROTF-SJORKVTESA-N 1 3 353.488 0.801 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000645783006 492975273 /nfs/dbraw/zinc/97/52/73/492975273.db2.gz BJWBBDSVQPVGOF-KRWDZBQOSA-N 1 3 350.507 0.969 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000638753516 492976869 /nfs/dbraw/zinc/97/68/69/492976869.db2.gz XJGLOOABBPIDDB-WMZOPIPTSA-N 1 3 369.473 0.736 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724598 493004520 /nfs/dbraw/zinc/00/45/20/493004520.db2.gz GZANOZDYVCWSIR-MRXNPFEDSA-N 1 3 354.495 0.062 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652728369 493006756 /nfs/dbraw/zinc/00/67/56/493006756.db2.gz HOZLTBXFKOGGLL-YESZJQIVSA-N 1 3 366.506 0.286 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](N)CC2CCCCC2)cn1 ZINC000646075332 493010714 /nfs/dbraw/zinc/01/07/14/493010714.db2.gz CQWDFBOABCSUDQ-INIZCTEOSA-N 1 3 364.494 0.797 20 0 FCADHO C[NH+](C)CC[C@@H](N)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000653125025 493075738 /nfs/dbraw/zinc/07/57/38/493075738.db2.gz QMLQLLACNTXLDK-LJQANCHMSA-N 1 3 361.534 0.984 20 0 FCADHO C[NH+](C)CC[C@H](N)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000653125024 493075899 /nfs/dbraw/zinc/07/58/99/493075899.db2.gz QMLQLLACNTXLDK-IBGZPJMESA-N 1 3 361.534 0.984 20 0 FCADHO O=C(NCC1C[NH2+]C1)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000640246443 493089990 /nfs/dbraw/zinc/08/99/90/493089990.db2.gz PMAMVBPLWMRRCT-IBGZPJMESA-N 1 3 357.502 0.808 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000653365181 493102675 /nfs/dbraw/zinc/10/26/75/493102675.db2.gz NADWUZFUFSAVKP-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000653372330 493105569 /nfs/dbraw/zinc/10/55/69/493105569.db2.gz GVFHMHRGSYXEEM-QGZVFWFLSA-N 1 3 356.536 0.484 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCC[C@H]1CN1CCCCC1 ZINC000627228179 493111808 /nfs/dbraw/zinc/11/18/08/493111808.db2.gz HZXNKAZRJWDNOR-IRXDYDNUSA-N 1 3 361.494 0.972 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN2CCCCC2)CCCO1 ZINC000653416748 493127841 /nfs/dbraw/zinc/12/78/41/493127841.db2.gz CUXJRXFFEWSSAF-KRWDZBQOSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN2CCCCC2)CCCO1 ZINC000653416748 493127837 /nfs/dbraw/zinc/12/78/37/493127837.db2.gz CUXJRXFFEWSSAF-KRWDZBQOSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN2CCCCC2)CCCO1 ZINC000653416749 493127963 /nfs/dbraw/zinc/12/79/63/493127963.db2.gz CUXJRXFFEWSSAF-QGZVFWFLSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN2CCCCC2)CCCO1 ZINC000653416749 493127967 /nfs/dbraw/zinc/12/79/67/493127967.db2.gz CUXJRXFFEWSSAF-QGZVFWFLSA-N 1 3 368.522 0.548 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633110686 493130982 /nfs/dbraw/zinc/13/09/82/493130982.db2.gz JYBUIPPUBSTQKT-BZSNNMDCSA-N 1 3 356.470 0.335 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627293454 493137824 /nfs/dbraw/zinc/13/78/24/493137824.db2.gz UHYKBAPSEHCULD-AAEUAGOBSA-N 1 3 364.412 0.573 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311962 493146653 /nfs/dbraw/zinc/14/66/53/493146653.db2.gz LOZHBSMYMYZSGR-YMBUTIGBSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311959 493146937 /nfs/dbraw/zinc/14/69/37/493146937.db2.gz LOZHBSMYMYZSGR-BIQFIRCYSA-N 1 3 364.534 0.927 20 0 FCADHO O=C(C[C@@H]1CNCCO1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094156 493162191 /nfs/dbraw/zinc/16/21/91/493162191.db2.gz MCEUIPVERMXUHF-MRXNPFEDSA-N 1 3 361.490 0.961 20 0 FCADHO N[C@H](CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091849 493162250 /nfs/dbraw/zinc/16/22/50/493162250.db2.gz QQNSUKSMLCEBGU-SQNIBIBYSA-N 1 3 371.485 0.823 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCCC1 ZINC000659434496 493176406 /nfs/dbraw/zinc/17/64/06/493176406.db2.gz NKJPOOZSVVNCJD-CQSZACIVSA-N 1 3 350.467 0.951 20 0 FCADHO COC1CCN(C2(CNC(=O)c3cn(CC[NH3+])nn3)CCCC2)CC1 ZINC000659285594 493183260 /nfs/dbraw/zinc/18/32/60/493183260.db2.gz WJKVHBRDGXOZDZ-UHFFFAOYSA-N 1 3 350.467 0.390 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264819 493187292 /nfs/dbraw/zinc/18/72/92/493187292.db2.gz UCUDGAWHBJNROT-CABCVRRESA-N 1 3 355.508 0.434 20 0 FCADHO CC[C@@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC[C@H]1[NH3+] ZINC000647270483 493188519 /nfs/dbraw/zinc/18/85/19/493188519.db2.gz ZXDVMVZKYLWYQW-HUUCEWRRSA-N 1 3 357.524 0.809 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000627387801 493194998 /nfs/dbraw/zinc/19/49/98/493194998.db2.gz ATXSKBSBQMWJMK-UHFFFAOYSA-N 1 3 362.474 0.067 20 0 FCADHO O=C(NCCN1CC[NH2+]CC1)NCC1CCN(Cc2ccncc2)CC1 ZINC000659508119 493201858 /nfs/dbraw/zinc/20/18/58/493201858.db2.gz RLUPQJLCSYIPCN-UHFFFAOYSA-N 1 3 360.506 0.498 20 0 FCADHO O=C(NC[C@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659551855 493211332 /nfs/dbraw/zinc/21/13/32/493211332.db2.gz CGUAQMJLROPLBY-WWGRRREGSA-N 1 3 354.401 0.698 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000672697313 493235607 /nfs/dbraw/zinc/23/56/07/493235607.db2.gz QLSQMYSYFRVGGU-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)[C@H](CN)C1 ZINC000659679606 493248114 /nfs/dbraw/zinc/24/81/14/493248114.db2.gz MARZZUGGCLKTGV-BSWAZPDLSA-N 1 3 366.506 0.066 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659689660 493255354 /nfs/dbraw/zinc/25/53/54/493255354.db2.gz HEYQQIXJDJLUEV-UHFFFAOYSA-N 1 3 350.463 0.439 20 0 FCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CCO)C(C)(C)C3)C2)CC1 ZINC000672874813 493261382 /nfs/dbraw/zinc/26/13/82/493261382.db2.gz KQMLXFDHZALGQQ-MRXNPFEDSA-N 1 3 367.538 0.253 20 0 FCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CCO)C(C)(C)C3)C2)CC1 ZINC000672874813 493261385 /nfs/dbraw/zinc/26/13/85/493261385.db2.gz KQMLXFDHZALGQQ-MRXNPFEDSA-N 1 3 367.538 0.253 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(CCO)C(C)(C)C3)C2)CC1 ZINC000672874813 493261387 /nfs/dbraw/zinc/26/13/87/493261387.db2.gz KQMLXFDHZALGQQ-MRXNPFEDSA-N 1 3 367.538 0.253 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659704194 493263703 /nfs/dbraw/zinc/26/37/03/493263703.db2.gz HUTHKBDBLNXWNV-ZWKOTPCHSA-N 1 3 362.518 0.825 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659726913 493274758 /nfs/dbraw/zinc/27/47/58/493274758.db2.gz CQSLHGKBZGHEMV-QAPCUYQASA-N 1 3 373.501 0.606 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727920 493275146 /nfs/dbraw/zinc/27/51/46/493275146.db2.gz GZLRIPJLFRSENH-QGZVFWFLSA-N 1 3 359.474 0.230 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC2([NH3+])CCCC2)o1 ZINC000659733480 493278117 /nfs/dbraw/zinc/27/81/17/493278117.db2.gz FRUKJRWPSKZXBF-UHFFFAOYSA-N 1 3 350.463 0.866 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739456 493280411 /nfs/dbraw/zinc/28/04/11/493280411.db2.gz USXHPLIXALAZLC-DLBZAZTESA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659750516 493285951 /nfs/dbraw/zinc/28/59/51/493285951.db2.gz CLUSSCMWCJUTGV-RDJZCZTQSA-N 1 3 361.490 0.619 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000659751748 493285983 /nfs/dbraw/zinc/28/59/83/493285983.db2.gz JEUWRLDUXZOPDP-OAHLLOKOSA-N 1 3 361.490 0.871 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cn1 ZINC000682291006 493288160 /nfs/dbraw/zinc/28/81/60/493288160.db2.gz OTOJDDWBKMKSMX-UHFFFAOYSA-N 1 3 362.478 0.470 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667537190 493289137 /nfs/dbraw/zinc/28/91/37/493289137.db2.gz SRLAZQKKDIXZBE-HOCLYGCPSA-N 1 3 360.458 0.906 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000667538628 493289310 /nfs/dbraw/zinc/28/93/10/493289310.db2.gz JAHPPAHRWYBURO-YOEHRIQHSA-N 1 3 360.458 0.776 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000682352432 493293369 /nfs/dbraw/zinc/29/33/69/493293369.db2.gz MCKMOPNTLRZZHY-CQSZACIVSA-N 1 3 350.467 0.372 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667799453 493302794 /nfs/dbraw/zinc/30/27/94/493302794.db2.gz WBBQNNFJGHDYNV-KRWDZBQOSA-N 1 3 372.473 0.498 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000660170757 493331822 /nfs/dbraw/zinc/33/18/22/493331822.db2.gz FWPILKXWYHUPTN-IRXDYDNUSA-N 1 3 366.506 0.252 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581696 493377806 /nfs/dbraw/zinc/37/78/06/493377806.db2.gz JNGRDNCYOGVQAZ-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000674329022 493408658 /nfs/dbraw/zinc/40/86/58/493408658.db2.gz WGSQDQCAFZRSGB-UHFFFAOYSA-N 1 3 356.511 0.897 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661675250 493456759 /nfs/dbraw/zinc/45/67/59/493456759.db2.gz YWSADYPTINHBSC-QGZVFWFLSA-N 1 3 359.474 0.671 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298022 493504581 /nfs/dbraw/zinc/50/45/81/493504581.db2.gz TVUFDKPNVMTXTQ-HYVNUMGLSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298023 493504934 /nfs/dbraw/zinc/50/49/34/493504934.db2.gz TVUFDKPNVMTXTQ-OIISXLGYSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H]1CN(CCN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCO1 ZINC000662338482 493507865 /nfs/dbraw/zinc/50/78/65/493507865.db2.gz SASAQAYKUXIJRN-IRXDYDNUSA-N 1 3 362.522 0.719 20 0 FCADHO [NH3+]CCn1cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)nn1 ZINC000662391909 493512509 /nfs/dbraw/zinc/51/25/09/493512509.db2.gz LQBSYKKMPHCOCS-UHFFFAOYSA-N 1 3 371.489 0.569 20 0 FCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000676001469 493517854 /nfs/dbraw/zinc/51/78/54/493517854.db2.gz KIBVWBZSQAWTOH-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000662462854 493517990 /nfs/dbraw/zinc/51/79/90/493517990.db2.gz OYERRJTVSVBEBT-HKUYNNGSSA-N 1 3 358.486 0.744 20 0 FCADHO Cc1c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662474240 493519031 /nfs/dbraw/zinc/51/90/31/493519031.db2.gz UUCITMVHLMEHIM-QGZVFWFLSA-N 1 3 368.485 0.950 20 0 FCADHO C[NH+](C)CCCOc1cnccc1CNC1CCN(S(C)(=O)=O)CC1 ZINC000676064203 493521126 /nfs/dbraw/zinc/52/11/26/493521126.db2.gz JDMSZNWOBYYIDU-UHFFFAOYSA-N 1 3 370.519 0.926 20 0 FCADHO COc1cc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])ccc1OCCN(C)C ZINC000662691695 493531867 /nfs/dbraw/zinc/53/18/67/493531867.db2.gz LMHBDIJBGGBJAI-WMLDXEAASA-N 1 3 351.447 0.616 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757707 493539415 /nfs/dbraw/zinc/53/94/15/493539415.db2.gz LRHNOMNDGGXYLU-CVEARBPZSA-N 1 3 363.510 0.349 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845250 493546359 /nfs/dbraw/zinc/54/63/59/493546359.db2.gz GSIQAPOGMQKVTM-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845249 493546498 /nfs/dbraw/zinc/54/64/98/493546498.db2.gz GSIQAPOGMQKVTM-IRXDYDNUSA-N 1 3 350.507 0.635 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662860118 493547319 /nfs/dbraw/zinc/54/73/19/493547319.db2.gz QMAPISHQDOXPHC-DLBZAZTESA-N 1 3 370.457 0.309 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662930388 493555232 /nfs/dbraw/zinc/55/52/32/493555232.db2.gz PPPBUSGAKLYDBS-UHFFFAOYSA-N 1 3 356.417 0.662 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662946842 493559189 /nfs/dbraw/zinc/55/91/89/493559189.db2.gz DEENMCNPEMHWPG-OALUTQOASA-N 1 3 372.513 0.972 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000662953554 493559818 /nfs/dbraw/zinc/55/98/18/493559818.db2.gz KHAKSASESKBNSK-ZWKOTPCHSA-N 1 3 358.486 0.569 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662950532 493559978 /nfs/dbraw/zinc/55/99/78/493559978.db2.gz MRBNFLBHGRIRFM-QRQLOZEOSA-N 1 3 372.513 0.958 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662951079 493560071 /nfs/dbraw/zinc/56/00/71/493560071.db2.gz HYERNXVLSGPFEV-MOPGFXCFSA-N 1 3 372.513 0.830 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662954221 493560559 /nfs/dbraw/zinc/56/05/59/493560559.db2.gz SXMVTPAQIGVTBY-UHOSZYNNSA-N 1 3 372.513 0.958 20 0 FCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662972221 493562628 /nfs/dbraw/zinc/56/26/28/493562628.db2.gz ASZWIUULARTFMJ-QGZVFWFLSA-N 1 3 360.502 0.958 20 0 FCADHO CS(=O)(=O)C1(C(=O)NC[C@H]2CCCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000663004829 493565869 /nfs/dbraw/zinc/56/58/69/493565869.db2.gz RXNFIOSOKPXJRW-OAHLLOKOSA-N 1 3 357.520 0.391 20 0 FCADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016839 493566631 /nfs/dbraw/zinc/56/66/31/493566631.db2.gz GHLIODCZUGSYMJ-HOTGVXAUSA-N 1 3 372.517 0.915 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663615535 493604346 /nfs/dbraw/zinc/60/43/46/493604346.db2.gz KPLXHBUHKCSSKA-HXUWFJFHSA-N 1 3 373.501 0.631 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000663733068 493615418 /nfs/dbraw/zinc/61/54/18/493615418.db2.gz ALSQIPFKYUISQU-UHFFFAOYSA-N 1 3 353.511 0.522 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104575 493635189 /nfs/dbraw/zinc/63/51/89/493635189.db2.gz WEPMBMPKUBKBLT-PVAVHDDUSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104575 493635190 /nfs/dbraw/zinc/63/51/90/493635190.db2.gz WEPMBMPKUBKBLT-PVAVHDDUSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107189 493635671 /nfs/dbraw/zinc/63/56/71/493635671.db2.gz GTCNOGWANXTLDY-QBPKDAKJSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107189 493635673 /nfs/dbraw/zinc/63/56/73/493635673.db2.gz GTCNOGWANXTLDY-QBPKDAKJSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671122981 493639244 /nfs/dbraw/zinc/63/92/44/493639244.db2.gz XFVJTCZUQXXPHI-HNNXBMFYSA-N 1 3 357.458 0.331 20 0 FCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671122981 493639247 /nfs/dbraw/zinc/63/92/47/493639247.db2.gz XFVJTCZUQXXPHI-HNNXBMFYSA-N 1 3 357.458 0.331 20 0 FCADHO CN1CCN(CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000664815611 493684719 /nfs/dbraw/zinc/68/47/19/493684719.db2.gz QPYHYDTWQSDANM-KRWDZBQOSA-N 1 3 367.538 0.253 20 0 FCADHO CN1CCN(CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1(C)C ZINC000664815611 493684720 /nfs/dbraw/zinc/68/47/20/493684720.db2.gz QPYHYDTWQSDANM-KRWDZBQOSA-N 1 3 367.538 0.253 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000671941237 493716241 /nfs/dbraw/zinc/71/62/41/493716241.db2.gz WFMUDSSFSAYKBK-KRWDZBQOSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000680520105 493722143 /nfs/dbraw/zinc/72/21/43/493722143.db2.gz JTKGGJSIUQHJAT-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556080 493723188 /nfs/dbraw/zinc/72/31/88/493723188.db2.gz QJKXWOMSLANYDO-HZPDHXFCSA-N 1 3 365.522 0.807 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556080 493723191 /nfs/dbraw/zinc/72/31/91/493723191.db2.gz QJKXWOMSLANYDO-HZPDHXFCSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014207 493724931 /nfs/dbraw/zinc/72/49/31/493724931.db2.gz KTXHOJLKTPHEBV-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304754 493751911 /nfs/dbraw/zinc/75/19/11/493751911.db2.gz JITJHQNYUDNULW-QZTJIDSGSA-N 1 3 362.518 0.777 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304754 493751912 /nfs/dbraw/zinc/75/19/12/493751912.db2.gz JITJHQNYUDNULW-QZTJIDSGSA-N 1 3 362.518 0.777 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672308024 493753448 /nfs/dbraw/zinc/75/34/48/493753448.db2.gz WLMCRBSSFMLWSP-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672308024 493753449 /nfs/dbraw/zinc/75/34/49/493753449.db2.gz WLMCRBSSFMLWSP-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672308022 493753589 /nfs/dbraw/zinc/75/35/89/493753589.db2.gz WLMCRBSSFMLWSP-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672308022 493753591 /nfs/dbraw/zinc/75/35/91/493753591.db2.gz WLMCRBSSFMLWSP-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1 ZINC000672310224 493754141 /nfs/dbraw/zinc/75/41/41/493754141.db2.gz KWDZMAWXJIDEEU-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1 ZINC000672310225 493754223 /nfs/dbraw/zinc/75/42/23/493754223.db2.gz KWDZMAWXJIDEEU-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310250 493754412 /nfs/dbraw/zinc/75/44/12/493754412.db2.gz LTKOOWFGVOWBKI-DOTOQJQBSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419933525 536448959 /nfs/dbraw/zinc/44/89/59/536448959.db2.gz FFNIAIWZKYXYDZ-OAGGEKHMSA-N 1 3 368.522 0.306 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410471511 528144225 /nfs/dbraw/zinc/14/42/25/528144225.db2.gz QJLGGYKEVFNWLV-IAGOWNOFSA-N 1 3 368.522 0.498 20 0 FCADHO CC(C)[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413218992 528820773 /nfs/dbraw/zinc/82/07/73/528820773.db2.gz CBGKPBWEXMHUHM-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO CC(C)[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413218992 528820779 /nfs/dbraw/zinc/82/07/79/528820779.db2.gz CBGKPBWEXMHUHM-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000410889338 528891034 /nfs/dbraw/zinc/89/10/34/528891034.db2.gz YNFOFDFSRVIDCS-QGZVFWFLSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000410889338 528891038 /nfs/dbraw/zinc/89/10/38/528891038.db2.gz YNFOFDFSRVIDCS-QGZVFWFLSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000411030772 529074139 /nfs/dbraw/zinc/07/41/39/529074139.db2.gz RUGXUDYUTJUGOW-YESZJQIVSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000411030772 529074143 /nfs/dbraw/zinc/07/41/43/529074143.db2.gz RUGXUDYUTJUGOW-YESZJQIVSA-N 1 3 350.507 0.870 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000419538519 536542950 /nfs/dbraw/zinc/54/29/50/536542950.db2.gz OZNWWSYYZCBMOC-HOCLYGCPSA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415080936 535049195 /nfs/dbraw/zinc/04/91/95/535049195.db2.gz MKZPODIIXANYLF-HNNXBMFYSA-N 1 3 361.490 0.882 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423504897 535062206 /nfs/dbraw/zinc/06/22/06/535062206.db2.gz LJDFTPXNUXQDNU-DOTOQJQBSA-N 1 3 364.465 0.877 20 0 FCADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000419231481 535192751 /nfs/dbraw/zinc/19/27/51/535192751.db2.gz RWVFHBXXKBSCOW-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424539427 535507572 /nfs/dbraw/zinc/50/75/72/535507572.db2.gz FDJRPGKDJDQCQW-BPQIPLTHSA-N 1 3 358.486 0.834 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419198752 535508553 /nfs/dbraw/zinc/50/85/53/535508553.db2.gz ZAKBUPDHKMXZGZ-MRXNPFEDSA-N 1 3 360.502 0.924 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419839706 535523717 /nfs/dbraw/zinc/52/37/17/535523717.db2.gz HUJSGAAJULQEHA-ZDUSSCGKSA-N 1 3 366.428 0.977 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419824366 535709691 /nfs/dbraw/zinc/70/96/91/535709691.db2.gz MRAUMLQYQBEXPK-IXDOHACOSA-N 1 3 367.538 0.010 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419822492 535709853 /nfs/dbraw/zinc/70/98/53/535709853.db2.gz LOMDWFVHSODTAN-ZACQAIPSSA-N 1 3 367.538 0.105 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c2)CC1 ZINC000415314941 535749408 /nfs/dbraw/zinc/74/94/08/535749408.db2.gz YQRLCWZMESNVHD-UHFFFAOYSA-N 1 3 359.474 0.589 20 0 FCADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC[NH3+] ZINC000419827837 535860311 /nfs/dbraw/zinc/86/03/11/535860311.db2.gz CBHRMJWMZXXMDJ-UHFFFAOYSA-N 1 3 371.279 0.414 20 0 FCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419921988 535862293 /nfs/dbraw/zinc/86/22/93/535862293.db2.gz JFEXLQVWAQETLD-UHFFFAOYSA-N 1 3 352.866 0.566 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419846382 535863325 /nfs/dbraw/zinc/86/33/25/535863325.db2.gz HFUFCKWCVMRLGE-UHFFFAOYSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000419662109 535901943 /nfs/dbraw/zinc/90/19/43/535901943.db2.gz NZXOOWFKAXLPFI-UHFFFAOYSA-N 1 3 362.474 0.283 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000419215293 535903940 /nfs/dbraw/zinc/90/39/40/535903940.db2.gz NZLLVPHNXQFDGM-HXUWFJFHSA-N 1 3 374.485 0.455 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC1 ZINC000419832952 535906679 /nfs/dbraw/zinc/90/66/79/535906679.db2.gz YJNWPLYTWDOGRD-UHFFFAOYSA-N 1 3 366.437 0.915 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCSC1 ZINC000419580587 536140907 /nfs/dbraw/zinc/14/09/07/536140907.db2.gz IJMOREMTOGOZFI-SFHVURJKSA-N 1 3 368.547 0.531 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424491814 536416326 /nfs/dbraw/zinc/41/63/26/536416326.db2.gz FXCMHQWHBZLECC-OKZBNKHCSA-N 1 3 356.470 0.540 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424526297 536779495 /nfs/dbraw/zinc/77/94/95/536779495.db2.gz RVMWPQGDEAYCMN-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cn1 ZINC000329164661 546549468 /nfs/dbraw/zinc/54/94/68/546549468.db2.gz GYTRSGLOEZRHNQ-JKSUJKDBSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164661 546549472 /nfs/dbraw/zinc/54/94/72/546549472.db2.gz GYTRSGLOEZRHNQ-JKSUJKDBSA-N 1 3 367.519 0.790 20 0 FCADHO Cn1cc(S(=O)(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000329164661 546549474 /nfs/dbraw/zinc/54/94/74/546549474.db2.gz GYTRSGLOEZRHNQ-JKSUJKDBSA-N 1 3 367.519 0.790 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000329684284 546560873 /nfs/dbraw/zinc/56/08/73/546560873.db2.gz UETULBXEYWZKCY-QGZVFWFLSA-N 1 3 352.523 0.319 20 0 FCADHO COC(=O)[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999577 546682780 /nfs/dbraw/zinc/68/27/80/546682780.db2.gz BFOTYTRVOYQTQA-RRFJBIMHSA-N 1 3 351.447 0.197 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550658343 547094813 /nfs/dbraw/zinc/09/48/13/547094813.db2.gz JWADJXPBASADIM-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCSC1 ZINC000550831213 547109255 /nfs/dbraw/zinc/10/92/55/547109255.db2.gz TZDWSZQTMQZOOL-KRWDZBQOSA-N 1 3 356.536 0.532 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000950256376 674423762 /nfs/dbraw/zinc/42/37/62/674423762.db2.gz WMVDRQQNNYPYDV-YESZJQIVSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000950256376 674423764 /nfs/dbraw/zinc/42/37/64/674423764.db2.gz WMVDRQQNNYPYDV-YESZJQIVSA-N 1 3 350.507 0.918 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588570 665732419 /nfs/dbraw/zinc/73/24/19/665732419.db2.gz SMDNIJNVAFKDKJ-HZPDHXFCSA-N 1 3 353.511 0.175 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588570 665732421 /nfs/dbraw/zinc/73/24/21/665732421.db2.gz SMDNIJNVAFKDKJ-HZPDHXFCSA-N 1 3 353.511 0.175 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891480307 663408682 /nfs/dbraw/zinc/40/86/82/663408682.db2.gz AYIJSFKKDOZBOY-DAYGRLMNSA-N 1 3 351.495 0.513 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891483846 663408889 /nfs/dbraw/zinc/40/88/89/663408889.db2.gz RZJZCVQUCIKOHM-PMPSAXMXSA-N 1 3 351.495 0.465 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847044 663444436 /nfs/dbraw/zinc/44/44/36/663444436.db2.gz DKZRAYYJZKPBSD-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847044 663444439 /nfs/dbraw/zinc/44/44/39/663444439.db2.gz DKZRAYYJZKPBSD-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO CN1CCN(CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000891880952 663445870 /nfs/dbraw/zinc/44/58/70/663445870.db2.gz QCLBUFFIEWLKTC-OLZOCXBDSA-N 1 3 365.444 0.791 20 0 FCADHO C[C@H]1CC[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C[NH2+]1 ZINC000892292293 663522993 /nfs/dbraw/zinc/52/29/93/663522993.db2.gz AEFJGMKDSUVJMN-LSDHHAIUSA-N 1 3 351.495 0.642 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCCN(CCCO)C1 ZINC000892758056 664137522 /nfs/dbraw/zinc/13/75/22/664137522.db2.gz GWTNHTDGQWAKTE-JKSUJKDBSA-N 1 3 354.495 0.291 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCSC1 ZINC000893418507 664356811 /nfs/dbraw/zinc/35/68/11/664356811.db2.gz YHVYPXXVJRLNMH-UXLLHSPISA-N 1 3 356.536 0.664 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000977813538 664424392 /nfs/dbraw/zinc/42/43/92/664424392.db2.gz FBZOCJWQLWGZRN-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000977813538 664424393 /nfs/dbraw/zinc/42/43/93/664424393.db2.gz FBZOCJWQLWGZRN-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000982897380 664933009 /nfs/dbraw/zinc/93/30/09/664933009.db2.gz LUCXTKAJXSTSGF-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000982897380 664933010 /nfs/dbraw/zinc/93/30/10/664933010.db2.gz LUCXTKAJXSTSGF-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000984900142 665114729 /nfs/dbraw/zinc/11/47/29/665114729.db2.gz XBLGLFZRONWIJM-BHYGNILZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000984900142 665114730 /nfs/dbraw/zinc/11/47/30/665114730.db2.gz XBLGLFZRONWIJM-BHYGNILZSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000728793991 665165943 /nfs/dbraw/zinc/16/59/43/665165943.db2.gz VCZRFGYUFUKDMA-MRXNPFEDSA-N 1 3 369.579 0.831 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000728793991 665165945 /nfs/dbraw/zinc/16/59/45/665165945.db2.gz VCZRFGYUFUKDMA-MRXNPFEDSA-N 1 3 369.579 0.831 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000938038911 665312610 /nfs/dbraw/zinc/31/26/10/665312610.db2.gz HKNWRKREWNADRB-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000938038911 665312613 /nfs/dbraw/zinc/31/26/13/665312613.db2.gz HKNWRKREWNADRB-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000906561100 666056057 /nfs/dbraw/zinc/05/60/57/666056057.db2.gz TYUFGEHBEYIRTP-QGZVFWFLSA-N 1 3 350.507 0.875 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000906561100 666056060 /nfs/dbraw/zinc/05/60/60/666056060.db2.gz TYUFGEHBEYIRTP-QGZVFWFLSA-N 1 3 350.507 0.875 20 0 FCADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000912811525 666479220 /nfs/dbraw/zinc/47/92/20/666479220.db2.gz KLZZMVGYBLRYPA-ZACQAIPSSA-N 1 3 352.523 0.975 20 0 FCADHO C[NH+](C)C1CCN(CCN2C(=O)N[C@H](CN3CCCCC3)C2=O)CC1 ZINC000925337608 666523736 /nfs/dbraw/zinc/52/37/36/666523736.db2.gz IXLBBPZJHDGBJK-MRXNPFEDSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884975 666530905 /nfs/dbraw/zinc/53/09/05/666530905.db2.gz XQGAAXXUQLAKKK-ZMSDIMECSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000941217555 666593608 /nfs/dbraw/zinc/59/36/08/666593608.db2.gz IXGBRLFZACIIAB-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000941217555 666593609 /nfs/dbraw/zinc/59/36/09/666593609.db2.gz IXGBRLFZACIIAB-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCN2CCC(C)(C)C2)CCSC1 ZINC000929465357 666613944 /nfs/dbraw/zinc/61/39/44/666613944.db2.gz PFEORMPIFQBBLC-QGZVFWFLSA-N 1 3 356.536 0.388 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCCN3CC)C2)CC[N@@H+]1C ZINC000992402439 666636448 /nfs/dbraw/zinc/63/64/48/666636448.db2.gz XUTPBCBVDUMHMA-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCCN3CC)C2)CC[N@H+]1C ZINC000992402439 666636452 /nfs/dbraw/zinc/63/64/52/666636452.db2.gz XUTPBCBVDUMHMA-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000999188785 667229944 /nfs/dbraw/zinc/22/99/44/667229944.db2.gz CNYMLRIZSBFEJT-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000999188785 667229948 /nfs/dbraw/zinc/22/99/48/667229948.db2.gz CNYMLRIZSBFEJT-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCC(NC(=S)NC[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000920309208 667234508 /nfs/dbraw/zinc/23/45/08/667234508.db2.gz AIHWFOPWEDRQHT-MRXNPFEDSA-N 1 3 369.579 0.199 20 0 FCADHO CN1CCC(NC(=S)NC[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000920309208 667234511 /nfs/dbraw/zinc/23/45/11/667234511.db2.gz AIHWFOPWEDRQHT-MRXNPFEDSA-N 1 3 369.579 0.199 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002248314 667526891 /nfs/dbraw/zinc/52/68/91/667526891.db2.gz OUUDOVGASALGOU-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002248314 667526894 /nfs/dbraw/zinc/52/68/94/667526894.db2.gz OUUDOVGASALGOU-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC001002530181 667546485 /nfs/dbraw/zinc/54/64/85/667546485.db2.gz UPQIOSMWVYIIIH-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC001002530181 667546486 /nfs/dbraw/zinc/54/64/86/667546486.db2.gz UPQIOSMWVYIIIH-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)N(C)C ZINC001003747297 667627684 /nfs/dbraw/zinc/62/76/84/667627684.db2.gz YLRWSBPSBVSJMR-NCOADZHNSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001033092423 667669695 /nfs/dbraw/zinc/66/96/95/667669695.db2.gz SXJSHBGZFRZWTA-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001033092423 667669697 /nfs/dbraw/zinc/66/96/97/667669697.db2.gz SXJSHBGZFRZWTA-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000761676980 667893393 /nfs/dbraw/zinc/89/33/93/667893393.db2.gz GBQYCYPVOWFGHU-CVEARBPZSA-N 1 3 354.495 0.384 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000818782853 668945503 /nfs/dbraw/zinc/94/55/03/668945503.db2.gz TUFDKICZGHCKGX-JJTUDDRGSA-N 1 3 352.479 0.137 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000818782853 668945508 /nfs/dbraw/zinc/94/55/08/668945508.db2.gz TUFDKICZGHCKGX-JJTUDDRGSA-N 1 3 352.479 0.137 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)N1CCCCC1 ZINC000793728584 668946098 /nfs/dbraw/zinc/94/60/98/668946098.db2.gz VQZWLAIWJBTYDM-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)N1CCCCC1 ZINC000793728584 668946100 /nfs/dbraw/zinc/94/61/00/668946100.db2.gz VQZWLAIWJBTYDM-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000819288140 668994342 /nfs/dbraw/zinc/99/43/42/668994342.db2.gz VMCUGNDNXPOWKX-QGZVFWFLSA-N 1 3 369.531 0.739 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804055370 669356482 /nfs/dbraw/zinc/35/64/82/669356482.db2.gz MVGUAQWHNDCAQV-CVEARBPZSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055370 669356487 /nfs/dbraw/zinc/35/64/87/669356487.db2.gz MVGUAQWHNDCAQV-CVEARBPZSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804055373 669356618 /nfs/dbraw/zinc/35/66/18/669356618.db2.gz MVGUAQWHNDCAQV-JKSUJKDBSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055373 669356625 /nfs/dbraw/zinc/35/66/25/669356625.db2.gz MVGUAQWHNDCAQV-JKSUJKDBSA-N 1 3 354.495 0.012 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000828516707 669648764 /nfs/dbraw/zinc/64/87/64/669648764.db2.gz USPYAZIJHPAONZ-SFHVURJKSA-N 1 3 353.438 0.961 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364946 670808066 /nfs/dbraw/zinc/80/80/66/670808066.db2.gz WZKPHDGTSUUJIV-OLZOCXBDSA-N 1 3 351.451 0.332 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000968015874 675178744 /nfs/dbraw/zinc/17/87/44/675178744.db2.gz SANICWUUGUTARF-ZMSDIMECSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000968015874 675178745 /nfs/dbraw/zinc/17/87/45/675178745.db2.gz SANICWUUGUTARF-ZMSDIMECSA-N 1 3 350.507 0.728 20 0 FCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000852741648 671522950 /nfs/dbraw/zinc/52/29/50/671522950.db2.gz XRBGCJSGZGLOFT-OAHLLOKOSA-N 1 3 354.495 0.997 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000852746656 671523197 /nfs/dbraw/zinc/52/31/97/671523197.db2.gz NWZOMPCWCHCLKL-HNNXBMFYSA-N 1 3 354.495 0.997 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000863752312 672149797 /nfs/dbraw/zinc/14/97/97/672149797.db2.gz CVTMBDXYKAOQQV-GFCCVEGCSA-N 1 3 356.417 0.661 20 0 FCADHO O=S(=O)(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCNCC1 ZINC000923607220 672425799 /nfs/dbraw/zinc/42/57/99/672425799.db2.gz YPKZTUFPMSBNBI-KRWDZBQOSA-N 1 3 352.504 0.291 20 0 FCADHO O=S(=O)(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCNCC1 ZINC000923607220 672425801 /nfs/dbraw/zinc/42/58/01/672425801.db2.gz YPKZTUFPMSBNBI-KRWDZBQOSA-N 1 3 352.504 0.291 20 0 FCADHO CCN1CCN(CCNC(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000870919372 672520519 /nfs/dbraw/zinc/52/05/19/672520519.db2.gz VWRJXPLOUQIZGP-UHFFFAOYSA-N 1 3 351.520 0.977 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2=CCN(CCO)CC2)CC1 ZINC001000691861 676059122 /nfs/dbraw/zinc/05/91/22/676059122.db2.gz BTNLKOFCQCHBTO-MSOLQXFVSA-N 1 3 351.491 0.474 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883439365 673375478 /nfs/dbraw/zinc/37/54/78/673375478.db2.gz PTZDIZUQNXLVOL-LVQVYYBASA-N 1 3 351.447 0.582 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000883657499 673389452 /nfs/dbraw/zinc/38/94/52/673389452.db2.gz DRDHBGSMNVURIV-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO N[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413256 673452114 /nfs/dbraw/zinc/45/21/14/673452114.db2.gz NPHHVVWIRZLMSU-LSDHHAIUSA-N 1 3 367.291 0.955 20 0 FCADHO N[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413256 673452115 /nfs/dbraw/zinc/45/21/15/673452115.db2.gz NPHHVVWIRZLMSU-LSDHHAIUSA-N 1 3 367.291 0.955 20 0 FCADHO CCN(C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884656781 673470148 /nfs/dbraw/zinc/47/01/48/673470148.db2.gz TXNVQFGXSSSFOD-CQSZACIVSA-N 1 3 354.495 0.202 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000884787461 673482353 /nfs/dbraw/zinc/48/23/53/673482353.db2.gz SJOTWGCHHHPDCH-SRVKXCTJSA-N 1 3 350.385 0.183 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144176 673505682 /nfs/dbraw/zinc/50/56/82/673505682.db2.gz BBLCESZYISUFFL-HNNXBMFYSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C)C1 ZINC000885276624 673511387 /nfs/dbraw/zinc/51/13/87/673511387.db2.gz SGVZWPXFNGRTCL-HZSPNIEDSA-N 1 3 360.449 0.584 20 0 FCADHO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000717554564 673627543 /nfs/dbraw/zinc/62/75/43/673627543.db2.gz AEMYGFSKQQLGPL-UHFFFAOYSA-N 1 3 366.531 0.980 20 0 FCADHO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000717554564 673627545 /nfs/dbraw/zinc/62/75/45/673627545.db2.gz AEMYGFSKQQLGPL-UHFFFAOYSA-N 1 3 366.531 0.980 20 0 FCADHO C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(N)=O)C2)(N2CCCCC2)CC1 ZINC000889247954 673672974 /nfs/dbraw/zinc/67/29/74/673672974.db2.gz ZGLNQJLZHIOKBX-JKSUJKDBSA-N 1 3 350.507 0.955 20 0 FCADHO C[NH+](C)CCN1CCC(N2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC1 ZINC000924465379 673753554 /nfs/dbraw/zinc/75/35/54/673753554.db2.gz SCYDCROSERKLEK-INIZCTEOSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001046329258 675708629 /nfs/dbraw/zinc/70/86/29/675708629.db2.gz NGLLWLGMUNREAA-MDZRGWNJSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001046329258 675708631 /nfs/dbraw/zinc/70/86/31/675708631.db2.gz NGLLWLGMUNREAA-MDZRGWNJSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1)N(C)C ZINC000970266933 1168676317 /nfs/dbraw/zinc/67/63/17/1168676317.db2.gz REODCPZWIVGYCX-ZACQAIPSSA-N 1 3 368.522 0.135 20 0 FCADHO CC(C)[C@]1(CO)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000581474588 1170364206 /nfs/dbraw/zinc/36/42/06/1170364206.db2.gz LLGHKWZWQJBDOT-LJQANCHMSA-N 1 3 370.538 0.195 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022038114 1170455908 /nfs/dbraw/zinc/45/59/08/1170455908.db2.gz IIMVEEKLCXBNTD-BPQIPLTHSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971573159 1170559693 /nfs/dbraw/zinc/55/96/93/1170559693.db2.gz QHKSVCOXFSREQC-OWCLPIDISA-N 1 3 364.490 0.398 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971573159 1170559699 /nfs/dbraw/zinc/55/96/99/1170559699.db2.gz QHKSVCOXFSREQC-OWCLPIDISA-N 1 3 364.490 0.398 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673268 1170804384 /nfs/dbraw/zinc/80/43/84/1170804384.db2.gz JATOWBCBKSYGAE-ZIRHEVKLSA-N 1 3 363.462 0.046 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087175359 1170872592 /nfs/dbraw/zinc/87/25/92/1170872592.db2.gz JNHICHSCQBMXKS-VNQPRFMTSA-N 1 3 364.490 0.493 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNCc1cnns1 ZINC001691328136 1171107954 /nfs/dbraw/zinc/10/79/54/1171107954.db2.gz PBEYDOLZZKCAAQ-UKRRQHHQSA-N 1 3 367.519 0.833 20 0 FCADHO CC(C)CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691382406 1171243560 /nfs/dbraw/zinc/24/35/60/1171243560.db2.gz SOIQQCVYKLQPDN-ZACQAIPSSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691382406 1171243574 /nfs/dbraw/zinc/24/35/74/1171243574.db2.gz SOIQQCVYKLQPDN-ZACQAIPSSA-N 1 3 352.523 0.927 20 0 FCADHO NC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000891999353 1171456843 /nfs/dbraw/zinc/45/68/43/1171456843.db2.gz BLPOZFDEZBFHBM-OLZOCXBDSA-N 1 3 371.489 0.873 20 0 FCADHO NC(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000891999353 1171456847 /nfs/dbraw/zinc/45/68/47/1171456847.db2.gz BLPOZFDEZBFHBM-OLZOCXBDSA-N 1 3 371.489 0.873 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000898129008 1192858976 /nfs/dbraw/zinc/85/89/76/1192858976.db2.gz XLDKRAMZYLXTQH-HOTGVXAUSA-N 1 3 359.474 0.719 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@H]32)CCC1 ZINC000972640792 1180098600 /nfs/dbraw/zinc/09/86/00/1180098600.db2.gz RWUIKCMRSXUGDP-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)CCC1 ZINC000972640792 1180098604 /nfs/dbraw/zinc/09/86/04/1180098604.db2.gz RWUIKCMRSXUGDP-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCC(=O)Nc1cnccn1 ZINC001104622465 1182297112 /nfs/dbraw/zinc/29/71/12/1182297112.db2.gz YOEJQIRMOIXACF-HUUCEWRRSA-N 1 3 362.478 0.441 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105066913 1183101241 /nfs/dbraw/zinc/10/12/41/1183101241.db2.gz GFFZKNMZCSVPPO-KFWWJZLASA-N 1 3 367.494 0.130 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974585113 1183365249 /nfs/dbraw/zinc/36/52/49/1183365249.db2.gz URRKVXUYQJHKDM-BRWVUGGUSA-N 1 3 360.502 0.626 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@@H+]1C ZINC000975426203 1183866784 /nfs/dbraw/zinc/86/67/84/1183866784.db2.gz JJMKCQOHMMHALW-LJIGWXMPSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@H+]1C ZINC000975426203 1183866785 /nfs/dbraw/zinc/86/67/85/1183866785.db2.gz JJMKCQOHMMHALW-LJIGWXMPSA-N 1 3 359.474 0.742 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@H]2CCNC2=O)C1 ZINC001211703004 1186597795 /nfs/dbraw/zinc/59/77/95/1186597795.db2.gz PGGPSKCKWHXGKO-OKZBNKHCSA-N 1 3 358.486 0.801 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@H]2CCNC2=O)C1 ZINC001211703004 1186597799 /nfs/dbraw/zinc/59/77/99/1186597799.db2.gz PGGPSKCKWHXGKO-OKZBNKHCSA-N 1 3 358.486 0.801 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(C(=O)CN2CCCC2)CC3)CC1 ZINC001270096148 1188005495 /nfs/dbraw/zinc/00/54/95/1188005495.db2.gz RJBDNAJTSPUJAV-QGZVFWFLSA-N 1 3 362.518 0.921 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)CC1 ZINC001270453968 1188152884 /nfs/dbraw/zinc/15/28/84/1188152884.db2.gz KZEJALUVRIQXEP-UHFFFAOYSA-N 1 3 366.506 0.108 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001270667348 1188246546 /nfs/dbraw/zinc/24/65/46/1188246546.db2.gz KVRRUPANEZHTBD-QYZOEREBSA-N 1 3 360.502 0.802 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112535879 1188326138 /nfs/dbraw/zinc/32/61/38/1188326138.db2.gz FDVUCKVTGJVBIV-KXBFYZLASA-N 1 3 359.474 0.793 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001075800188 1189366684 /nfs/dbraw/zinc/36/66/84/1189366684.db2.gz RRZJFIMCFBBLIL-GBESFXJTSA-N 1 3 370.497 0.760 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCN4CCNC4=O)C[C@H]3C2)CC[N@@H+]1C ZINC001087970560 1190036568 /nfs/dbraw/zinc/03/65/68/1190036568.db2.gz CWEJCRQQUYZMKI-WCXIOVBPSA-N 1 3 363.506 0.132 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCN4CCNC4=O)C[C@H]3C2)CC[N@H+]1C ZINC001087970560 1190036575 /nfs/dbraw/zinc/03/65/75/1190036575.db2.gz CWEJCRQQUYZMKI-WCXIOVBPSA-N 1 3 363.506 0.132 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896748649 1190121198 /nfs/dbraw/zinc/12/11/98/1190121198.db2.gz KPDQJDYWUZNGGC-KSZLIROESA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896748649 1190121201 /nfs/dbraw/zinc/12/12/01/1190121201.db2.gz KPDQJDYWUZNGGC-KSZLIROESA-N 1 3 366.506 0.480 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)N(C)C ZINC001088011508 1190210965 /nfs/dbraw/zinc/21/09/65/1190210965.db2.gz QXSOTEOGDDTKIF-OWCLPIDISA-N 1 3 364.490 0.256 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)N(C)C ZINC001088011508 1190210970 /nfs/dbraw/zinc/21/09/70/1190210970.db2.gz QXSOTEOGDDTKIF-OWCLPIDISA-N 1 3 364.490 0.256 20 0 FCADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088130566 1190631192 /nfs/dbraw/zinc/63/11/92/1190631192.db2.gz VAKXBIUIECLKAO-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130469 1190632891 /nfs/dbraw/zinc/63/28/91/1190632891.db2.gz ORLDALRROURVCF-NXHRZFHOSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(CCO)CCn3cccn3)C2)CC[N@@H+]1C ZINC001691529310 1190812282 /nfs/dbraw/zinc/81/22/82/1190812282.db2.gz YXIIEBUTVDYEKO-KZNAEPCWSA-N 1 3 363.506 0.509 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(CCO)CCn3cccn3)C2)CC[N@H+]1C ZINC001691529310 1190812285 /nfs/dbraw/zinc/81/22/85/1190812285.db2.gz YXIIEBUTVDYEKO-KZNAEPCWSA-N 1 3 363.506 0.509 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089240 1224140072 /nfs/dbraw/zinc/14/00/72/1224140072.db2.gz ILFFPVKSVXWGDI-ADLMAVQZSA-N 1 3 364.446 0.672 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089244 1224140226 /nfs/dbraw/zinc/14/02/26/1224140226.db2.gz ILFFPVKSVXWGDI-VOJFVSQTSA-N 1 3 364.446 0.672 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@H]2C=CC[NH2+]C2)cc1)C(N)=O ZINC001218337607 1224154583 /nfs/dbraw/zinc/15/45/83/1224154583.db2.gz NXPDJZCFBWWOTD-BZSNNMDCSA-N 1 3 374.485 0.479 20 0 FCADHO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CNCc2ccccc21 ZINC001218488618 1224163238 /nfs/dbraw/zinc/16/32/38/1224163238.db2.gz YRLDSLPEORMTKF-CYBMUJFWSA-N 1 3 372.425 0.984 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218488618 1224163241 /nfs/dbraw/zinc/16/32/41/1224163241.db2.gz YRLDSLPEORMTKF-CYBMUJFWSA-N 1 3 372.425 0.984 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000550682345 1193733011 /nfs/dbraw/zinc/73/30/11/1193733011.db2.gz YSKMPBJJWYYQIV-INIZCTEOSA-N 1 3 368.522 0.282 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000550682345 1193733015 /nfs/dbraw/zinc/73/30/15/1193733015.db2.gz YSKMPBJJWYYQIV-INIZCTEOSA-N 1 3 368.522 0.282 20 0 FCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CCC1 ZINC001691594959 1193765625 /nfs/dbraw/zinc/76/56/25/1193765625.db2.gz HHCJSIVYJAERFZ-JKSUJKDBSA-N 1 3 366.506 0.204 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1nccnc1C1CC1 ZINC001218534505 1224168760 /nfs/dbraw/zinc/16/87/60/1224168760.db2.gz DJVZTNXNHXTLDA-KBPBESRZSA-N 1 3 360.462 0.740 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551135279 1193835085 /nfs/dbraw/zinc/83/50/85/1193835085.db2.gz BZXPVMHTDWKZLK-ULQDDVLXSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551135279 1193835087 /nfs/dbraw/zinc/83/50/87/1193835087.db2.gz BZXPVMHTDWKZLK-ULQDDVLXSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CCn1cccn1 ZINC001088757360 1193892225 /nfs/dbraw/zinc/89/22/25/1193892225.db2.gz VAJAAKQIKVAGQO-DLOULFILSA-N 1 3 359.474 0.325 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CCn1cccn1 ZINC001088757360 1193892227 /nfs/dbraw/zinc/89/22/27/1193892227.db2.gz VAJAAKQIKVAGQO-DLOULFILSA-N 1 3 359.474 0.325 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccnc2c1CCC2 ZINC001218620227 1224183567 /nfs/dbraw/zinc/18/35/67/1224183567.db2.gz JOWZILOMBKYVKE-YOEHRIQHSA-N 1 3 359.474 0.378 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NN3C(=O)[C@@H](C)N(C)C3=O)CC2)CC1 ZINC000899038030 1194097702 /nfs/dbraw/zinc/09/77/02/1194097702.db2.gz KNMIKKLTLBPOFP-CYBMUJFWSA-N 1 3 365.478 0.496 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792293 1194164894 /nfs/dbraw/zinc/16/48/94/1194164894.db2.gz RJOMSHIBVFALAW-NNFUDEMPSA-N 1 3 363.506 0.465 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(CCN2CCNC2=O)CC3)CC[N@H+]1C ZINC000990792293 1194164899 /nfs/dbraw/zinc/16/48/99/1194164899.db2.gz RJOMSHIBVFALAW-NNFUDEMPSA-N 1 3 363.506 0.465 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724438 1224205601 /nfs/dbraw/zinc/20/56/01/1224205601.db2.gz RJQOZLOFQHDSMX-INIZCTEOSA-N 1 3 362.478 0.581 20 0 FCADHO O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218738363 1224208930 /nfs/dbraw/zinc/20/89/30/1224208930.db2.gz ZSJOXDWTUXMBHE-AUUYWEPGSA-N 1 3 370.457 0.761 20 0 FCADHO CC(C)N1CC[C@@H](N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465771 1194509599 /nfs/dbraw/zinc/50/95/99/1194509599.db2.gz VAPXGTVUDBNVHD-GVDBMIGSSA-N 1 3 360.502 0.624 20 0 FCADHO CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218797625 1224225427 /nfs/dbraw/zinc/22/54/27/1224225427.db2.gz ICHSOXKFOUQNQL-BFUOFWGJSA-N 1 3 370.457 0.976 20 0 FCADHO CC1(C)CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001077418542 1195518538 /nfs/dbraw/zinc/51/85/38/1195518538.db2.gz UCDXMVXSNADDPY-ARLDDLHVSA-N 1 3 363.502 0.447 20 0 FCADHO CC1(C)CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001077418542 1195518540 /nfs/dbraw/zinc/51/85/40/1195518540.db2.gz UCDXMVXSNADDPY-ARLDDLHVSA-N 1 3 363.502 0.447 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219025462 1224299225 /nfs/dbraw/zinc/29/92/25/1224299225.db2.gz KPONTGXDTJKXTL-OAHLLOKOSA-N 1 3 368.441 0.650 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000911080628 1195883891 /nfs/dbraw/zinc/88/38/91/1195883891.db2.gz PHCALIYILRKXNZ-INIZCTEOSA-N 1 3 360.458 0.001 20 0 FCADHO C[C@H]1COC[C@H]1NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000911313163 1195937077 /nfs/dbraw/zinc/93/70/77/1195937077.db2.gz DDUUOFNLROIUMJ-DOTOQJQBSA-N 1 3 374.485 0.247 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083668980 1196392011 /nfs/dbraw/zinc/39/20/11/1196392011.db2.gz OMNATYOCVYAFOL-CEXWTWQISA-N 1 3 365.518 0.839 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083668980 1196392015 /nfs/dbraw/zinc/39/20/15/1196392015.db2.gz OMNATYOCVYAFOL-CEXWTWQISA-N 1 3 365.518 0.839 20 0 FCADHO N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219090194 1224350600 /nfs/dbraw/zinc/35/06/00/1224350600.db2.gz LCZKJIYLYIEUER-LLVKDONJSA-N 1 3 358.377 0.325 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116169 1224359995 /nfs/dbraw/zinc/35/99/95/1224359995.db2.gz LLBPXFVBPDOUGA-YOEHRIQHSA-N 1 3 361.490 0.913 20 0 FCADHO COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219170770 1224372486 /nfs/dbraw/zinc/37/24/86/1224372486.db2.gz YSWWLADFTANUDS-HNNXBMFYSA-N 1 3 374.441 0.057 20 0 FCADHO N[C@H]1CCCCN(CC(=O)Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)C1=O ZINC001219232403 1224394908 /nfs/dbraw/zinc/39/49/08/1224394908.db2.gz BRLCWPZOKPWIOH-PBHICJAKSA-N 1 3 359.474 0.892 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000913996979 1197196247 /nfs/dbraw/zinc/19/62/47/1197196247.db2.gz DAGQCYLYEHLHGD-KRWDZBQOSA-N 1 3 367.538 0.565 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000913996979 1197196253 /nfs/dbraw/zinc/19/62/53/1197196253.db2.gz DAGQCYLYEHLHGD-KRWDZBQOSA-N 1 3 367.538 0.565 20 0 FCADHO CC(C)Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000784393494 1197544516 /nfs/dbraw/zinc/54/45/16/1197544516.db2.gz KLUQEJCPXWIQBY-UHFFFAOYSA-N 1 3 366.510 0.509 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855485 1197894030 /nfs/dbraw/zinc/89/40/30/1197894030.db2.gz FKBSZSNNNJARLH-NLWGTHIKSA-N 1 3 359.470 0.603 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855485 1197894034 /nfs/dbraw/zinc/89/40/34/1197894034.db2.gz FKBSZSNNNJARLH-NLWGTHIKSA-N 1 3 359.470 0.603 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H](C[N@H+](C)CC3CC3)C1)C2=O ZINC000746384284 1199019394 /nfs/dbraw/zinc/01/93/94/1199019394.db2.gz YFQYZRKPTBFJEC-INIZCTEOSA-N 1 3 363.506 0.624 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H](C[N@@H+](C)CC3CC3)C1)C2=O ZINC000746384284 1199019406 /nfs/dbraw/zinc/01/94/06/1199019406.db2.gz YFQYZRKPTBFJEC-INIZCTEOSA-N 1 3 363.506 0.624 20 0 FCADHO CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C)OCC2 ZINC001169096911 1199045742 /nfs/dbraw/zinc/04/57/42/1199045742.db2.gz ZRFLDYCMQBLTLW-YYIAUSFCSA-N 1 3 361.490 0.800 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169137557 1199048362 /nfs/dbraw/zinc/04/83/62/1199048362.db2.gz CSQJJZAVOWKEGD-BCDXTJNWSA-N 1 3 372.513 0.962 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169137557 1199048368 /nfs/dbraw/zinc/04/83/68/1199048368.db2.gz CSQJJZAVOWKEGD-BCDXTJNWSA-N 1 3 372.513 0.962 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469651 1200311558 /nfs/dbraw/zinc/31/15/58/1200311558.db2.gz BXCWYULNJBLUQI-OWSLCNJRSA-N 1 3 362.474 0.637 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001109982517 1200675526 /nfs/dbraw/zinc/67/55/26/1200675526.db2.gz GUQJRJLZMASWPA-BDXSIMOUSA-N 1 3 363.502 0.999 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001112568001 1200802097 /nfs/dbraw/zinc/80/20/97/1200802097.db2.gz RXEHJFYDJWZHME-KHYOSLBOSA-N 1 3 364.490 0.352 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111450 1200863926 /nfs/dbraw/zinc/86/39/26/1200863926.db2.gz YQAGRNLAMGKLTF-IRXDYDNUSA-N 1 3 366.506 0.347 20 0 FCADHO O=C1O[C@]2(CN1CN1CCN(C3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364993 1201068831 /nfs/dbraw/zinc/06/88/31/1201068831.db2.gz GYQSLQZHGWXXGS-IBGZPJMESA-N 1 3 364.490 0.657 20 0 FCADHO COCCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892132 1201416001 /nfs/dbraw/zinc/41/60/01/1201416001.db2.gz JOGJRIFCGJPVSF-BBWFWOEESA-N 1 3 364.494 0.529 20 0 FCADHO COCCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892132 1201416004 /nfs/dbraw/zinc/41/60/04/1201416004.db2.gz JOGJRIFCGJPVSF-BBWFWOEESA-N 1 3 364.494 0.529 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898204 1224674304 /nfs/dbraw/zinc/67/43/04/1224674304.db2.gz HILYNVXNZYVINY-ZIAGYGMSSA-N 1 3 362.409 0.165 20 0 FCADHO COCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130023895 1201473638 /nfs/dbraw/zinc/47/36/38/1201473638.db2.gz CSKLEXGSDNONPJ-CVEARBPZSA-N 1 3 361.450 0.402 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006232 1201476152 /nfs/dbraw/zinc/47/61/52/1201476152.db2.gz YRTJRTYKDDWBKF-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130047462 1201486406 /nfs/dbraw/zinc/48/64/06/1201486406.db2.gz BXPCZIKNBYKJFZ-SJORKVTESA-N 1 3 366.510 0.777 20 0 FCADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(OC)cc1 ZINC001219974616 1224710150 /nfs/dbraw/zinc/71/01/50/1224710150.db2.gz BFPYUQNIHLOHAB-HOTGVXAUSA-N 1 3 361.442 0.900 20 0 FCADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974616 1224710154 /nfs/dbraw/zinc/71/01/54/1224710154.db2.gz BFPYUQNIHLOHAB-HOTGVXAUSA-N 1 3 361.442 0.900 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH2+]C ZINC001220056107 1224739309 /nfs/dbraw/zinc/73/93/09/1224739309.db2.gz MWOKOCZNZPFTCH-KKXDTOCCSA-N 1 3 373.501 0.904 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607877 1202733689 /nfs/dbraw/zinc/73/36/89/1202733689.db2.gz PCNCDHPNKGIARY-FUHWJXTLSA-N 1 3 363.506 0.825 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607446 1202733779 /nfs/dbraw/zinc/73/37/79/1202733779.db2.gz BBCNYBJZXQMNLG-JQHSSLGASA-N 1 3 363.506 0.681 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672539 1202752407 /nfs/dbraw/zinc/75/24/07/1202752407.db2.gz RRWFYZALJOBGDU-YQQAZPJKSA-N 1 3 365.522 0.663 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672564 1202752494 /nfs/dbraw/zinc/75/24/94/1202752494.db2.gz SYXUBMQSFXGFQE-XYJFISCASA-N 1 3 363.506 0.682 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070402 1202856318 /nfs/dbraw/zinc/85/63/18/1202856318.db2.gz UBYYNDMCMTZJHO-GVDBMIGSSA-N 1 3 363.506 0.682 20 0 FCADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001131570657 1202915574 /nfs/dbraw/zinc/91/55/74/1202915574.db2.gz LXIZPYYAZUWAAZ-BDXSIMOUSA-N 1 3 371.522 0.320 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC)CC1 ZINC001131597212 1202919768 /nfs/dbraw/zinc/91/97/68/1202919768.db2.gz QUICWGGYXORVEC-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO C[N@@H+]1CCCN(CCNC(=O)[C@H](N)Cc2ccnc3ccccc23)CC1 ZINC001220307183 1224824460 /nfs/dbraw/zinc/82/44/60/1224824460.db2.gz TZHFKYKNQOSSRJ-GOSISDBHSA-N 1 3 355.486 0.858 20 0 FCADHO C[N@H+]1CCCN(CCNC(=O)[C@H](N)Cc2ccnc3ccccc23)CC1 ZINC001220307183 1224824464 /nfs/dbraw/zinc/82/44/64/1224824464.db2.gz TZHFKYKNQOSSRJ-GOSISDBHSA-N 1 3 355.486 0.858 20 0 FCADHO O=C(NCc1ncn2c1CNCCC2)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001220313724 1224826093 /nfs/dbraw/zinc/82/60/93/1224826093.db2.gz UALUFZFRFOTQPG-ZDUSSCGKSA-N 1 3 356.430 0.442 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)cn1 ZINC000846321382 1204613609 /nfs/dbraw/zinc/61/36/09/1204613609.db2.gz PSWHPCHBQZCLTD-QGZVFWFLSA-N 1 3 370.457 0.386 20 0 FCADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)OC(C)(C)C ZINC001220382361 1224850357 /nfs/dbraw/zinc/85/03/57/1224850357.db2.gz VPRYAVHXAZWQBO-KBPBESRZSA-N 1 3 373.494 0.872 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738022 1204837691 /nfs/dbraw/zinc/83/76/91/1204837691.db2.gz NENLNJQMCIKGLP-MDZRGWNJSA-N 1 3 363.506 0.132 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738022 1204837692 /nfs/dbraw/zinc/83/76/92/1204837692.db2.gz NENLNJQMCIKGLP-MDZRGWNJSA-N 1 3 363.506 0.132 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086989318 1204882103 /nfs/dbraw/zinc/88/21/03/1204882103.db2.gz VHIJXLWDJSWJFZ-LWVGGODOSA-N 1 3 359.474 0.187 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059527 1204944289 /nfs/dbraw/zinc/94/42/89/1204944289.db2.gz KIYCPUAOVPMDJW-RHSMWYFYSA-N 1 3 364.494 0.253 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059377 1204944502 /nfs/dbraw/zinc/94/45/02/1204944502.db2.gz BRJYGKKZCRVNNX-KURKYZTESA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087083520 1204970453 /nfs/dbraw/zinc/97/04/53/1204970453.db2.gz IQSOXYFUQJNKCC-LZLYRXPVSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776763 1205024949 /nfs/dbraw/zinc/02/49/49/1205024949.db2.gz ONQZALYVEXPZHF-MDZRGWNJSA-N 1 3 362.518 0.907 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615828 1205329446 /nfs/dbraw/zinc/32/94/46/1205329446.db2.gz QQQCVENJACYVLM-IIAWOOMASA-N 1 3 364.494 0.006 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C1CCCCC1 ZINC001220467189 1224882348 /nfs/dbraw/zinc/88/23/48/1224882348.db2.gz PEMPHWLPSDKWMW-YESZJQIVSA-N 1 3 368.522 0.491 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C2(Cc3cccnc3)CC[NH2+]CC2)CCNC1 ZINC001220521534 1224904939 /nfs/dbraw/zinc/90/49/39/1224904939.db2.gz ICLFNACIFLNOBT-UHFFFAOYSA-N 1 3 372.469 0.921 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910386 1205940904 /nfs/dbraw/zinc/94/09/04/1205940904.db2.gz BRYXQXGPFKOWJK-INMHGKMJSA-N 1 3 364.494 0.108 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)C1 ZINC001092910386 1205940908 /nfs/dbraw/zinc/94/09/08/1205940908.db2.gz BRYXQXGPFKOWJK-INMHGKMJSA-N 1 3 364.494 0.108 20 0 FCADHO C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195347 1206052857 /nfs/dbraw/zinc/05/28/57/1206052857.db2.gz NOHFJWDXPMVGIH-ZTFGCOKTSA-N 1 3 358.486 0.921 20 0 FCADHO C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195347 1206052861 /nfs/dbraw/zinc/05/28/61/1206052861.db2.gz NOHFJWDXPMVGIH-ZTFGCOKTSA-N 1 3 358.486 0.921 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417147 1206224279 /nfs/dbraw/zinc/22/42/79/1206224279.db2.gz JRWCCKNRGDXKHL-SQGPQFPESA-N 1 3 362.518 0.777 20 0 FCADHO C[C@H]1C[C@@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001178565270 1206360282 /nfs/dbraw/zinc/36/02/82/1206360282.db2.gz VYOVNFHYRAWDDS-GAFCNROLSA-N 1 3 371.522 0.938 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NC1CCN(c2cnc3ccccc3n2)CC1 ZINC001220621706 1224973162 /nfs/dbraw/zinc/97/31/62/1224973162.db2.gz BORLFPNHDIXJCY-AWEZNQCLSA-N 1 3 374.514 0.734 20 0 FCADHO Cc1cc(C)n(CCN2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189810807 1207604105 /nfs/dbraw/zinc/60/41/05/1207604105.db2.gz IBXMUHSYAMXGHE-ZWKOTPCHSA-N 1 3 363.506 0.611 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001190246339 1207667961 /nfs/dbraw/zinc/66/79/61/1207667961.db2.gz ATONQWFMAFFFJK-YESZJQIVSA-N 1 3 367.538 0.957 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001190246339 1207667966 /nfs/dbraw/zinc/66/79/66/1207667966.db2.gz ATONQWFMAFFFJK-YESZJQIVSA-N 1 3 367.538 0.957 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001190324782 1207675957 /nfs/dbraw/zinc/67/59/57/1207675957.db2.gz OTAFLGGNDMHGQL-DLBZAZTESA-N 1 3 363.506 0.420 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001197319374 1208152321 /nfs/dbraw/zinc/15/23/21/1208152321.db2.gz BVNWRUBBRZWCOF-KBAYOESNSA-N 1 3 369.506 0.218 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790573 1225076191 /nfs/dbraw/zinc/07/61/91/1225076191.db2.gz SHADHBCAMZCMLU-ORQFMDKSSA-N 1 3 361.490 0.727 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220826255 1225091048 /nfs/dbraw/zinc/09/10/48/1225091048.db2.gz USEPCCXZISNTPS-SJORKVTESA-N 1 3 366.510 0.342 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220826255 1225091051 /nfs/dbraw/zinc/09/10/51/1225091051.db2.gz USEPCCXZISNTPS-SJORKVTESA-N 1 3 366.510 0.342 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)N(C)C ZINC001489671343 1209081728 /nfs/dbraw/zinc/08/17/28/1209081728.db2.gz MCIDUAIUBORODR-BRWVUGGUSA-N 1 3 364.534 0.974 20 0 FCADHO COc1ccccc1Cn1cncc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220968963 1225165156 /nfs/dbraw/zinc/16/51/56/1225165156.db2.gz JHZWOTYFRAXZMN-SFHVURJKSA-N 1 3 357.458 0.883 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000861745478 1209879229 /nfs/dbraw/zinc/87/92/29/1209879229.db2.gz MKDOGDDMYTXPSG-NVXWUHKLSA-N 1 3 362.474 0.199 20 0 FCADHO COc1ccnc(C2(CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CCOCC2)c1 ZINC001220990375 1225178034 /nfs/dbraw/zinc/17/80/34/1225178034.db2.gz KALFLTGIRSSPQH-FOIQADDNSA-N 1 3 374.485 0.454 20 0 FCADHO COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221058397 1225203117 /nfs/dbraw/zinc/20/31/17/1225203117.db2.gz HQZZHGFAQOEGGE-ROUUACIJSA-N 1 3 367.449 0.849 20 0 FCADHO CCN1CCN(CCCNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781666 1210429627 /nfs/dbraw/zinc/42/96/27/1210429627.db2.gz QFHQHEZFOXYSCS-QGZVFWFLSA-N 1 3 362.522 0.873 20 0 FCADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883359342 1210663415 /nfs/dbraw/zinc/66/34/15/1210663415.db2.gz DPGICXGQANPZBN-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883359342 1210663424 /nfs/dbraw/zinc/66/34/24/1210663424.db2.gz DPGICXGQANPZBN-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000884496057 1210739126 /nfs/dbraw/zinc/73/91/26/1210739126.db2.gz LDSVTDWOMBSXIN-NXHRZFHOSA-N 1 3 374.485 0.342 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000884496055 1210739221 /nfs/dbraw/zinc/73/92/21/1210739221.db2.gz LDSVTDWOMBSXIN-KBAYOESNSA-N 1 3 374.485 0.342 20 0 FCADHO CCN(C(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884578029 1210755588 /nfs/dbraw/zinc/75/55/88/1210755588.db2.gz RCDJEAWUXBQDAS-SFHVURJKSA-N 1 3 358.486 0.761 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884576918 1210755849 /nfs/dbraw/zinc/75/58/49/1210755849.db2.gz TUFQNBHVIRSFCP-CRAIPNDOSA-N 1 3 358.486 0.665 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884576918 1210755859 /nfs/dbraw/zinc/75/58/59/1210755859.db2.gz TUFQNBHVIRSFCP-CRAIPNDOSA-N 1 3 358.486 0.665 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000884640664 1210770293 /nfs/dbraw/zinc/77/02/93/1210770293.db2.gz LUXYERIKSKJFJT-KRWDZBQOSA-N 1 3 358.486 0.808 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000884640664 1210770297 /nfs/dbraw/zinc/77/02/97/1210770297.db2.gz LUXYERIKSKJFJT-KRWDZBQOSA-N 1 3 358.486 0.808 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706222 1210785376 /nfs/dbraw/zinc/78/53/76/1210785376.db2.gz VVVZVTCTLAXXIG-HUUCEWRRSA-N 1 3 366.506 0.693 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885163036 1210814461 /nfs/dbraw/zinc/81/44/61/1210814461.db2.gz WWYUAVRLZGHWGZ-YJBOKZPZSA-N 1 3 358.486 0.617 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885163036 1210814462 /nfs/dbraw/zinc/81/44/62/1210814462.db2.gz WWYUAVRLZGHWGZ-YJBOKZPZSA-N 1 3 358.486 0.617 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000885869172 1210821341 /nfs/dbraw/zinc/82/13/41/1210821341.db2.gz PRDAWRYODXMRBG-PZJWPPBQSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000885869172 1210821344 /nfs/dbraw/zinc/82/13/44/1210821344.db2.gz PRDAWRYODXMRBG-PZJWPPBQSA-N 1 3 373.497 0.993 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090876 1210878910 /nfs/dbraw/zinc/87/89/10/1210878910.db2.gz LPHBOVDBNQCMGW-DLBZAZTESA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110830507 1210986806 /nfs/dbraw/zinc/98/68/06/1210986806.db2.gz FQWFPFKVQAYHIQ-WEXBMKDWSA-N 1 3 363.502 0.996 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110830507 1210986808 /nfs/dbraw/zinc/98/68/08/1210986808.db2.gz FQWFPFKVQAYHIQ-WEXBMKDWSA-N 1 3 363.502 0.996 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CN(C)CCN3C)C2)C1 ZINC001275176157 1211189769 /nfs/dbraw/zinc/18/97/69/1211189769.db2.gz HGRQGDHCRJPPHL-QUCCMNQESA-N 1 3 365.566 0.498 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CN(C)CCN3C)C2)C1 ZINC001275176157 1211189773 /nfs/dbraw/zinc/18/97/73/1211189773.db2.gz HGRQGDHCRJPPHL-QUCCMNQESA-N 1 3 365.566 0.498 20 0 FCADHO COc1cccnc1CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275380236 1211226295 /nfs/dbraw/zinc/22/62/95/1211226295.db2.gz PELCFUPEDYIOPV-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO COCCOCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001275877554 1211302836 /nfs/dbraw/zinc/30/28/36/1211302836.db2.gz DAJKVWFRDKKVFA-QFBILLFUSA-N 1 3 367.490 0.790 20 0 FCADHO COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001275877554 1211302838 /nfs/dbraw/zinc/30/28/38/1211302838.db2.gz DAJKVWFRDKKVFA-QFBILLFUSA-N 1 3 367.490 0.790 20 0 FCADHO COC(CN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881222 1211305273 /nfs/dbraw/zinc/30/52/73/1211305273.db2.gz XZUDRQXUFSCSLZ-DNVCBOLYSA-N 1 3 367.490 0.788 20 0 FCADHO COC(CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCCN(C)C3)C2)C1=O)OC ZINC001275881222 1211305275 /nfs/dbraw/zinc/30/52/75/1211305275.db2.gz XZUDRQXUFSCSLZ-DNVCBOLYSA-N 1 3 367.490 0.788 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CC[N@H+](C[C@@H]3CCCN(C)C3)C2)OCC1=O ZINC001275879220 1211306365 /nfs/dbraw/zinc/30/63/65/1211306365.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CC[N@@H+](C[C@@H]3CCCN(C)C3)C2)OCC1=O ZINC001275879220 1211306367 /nfs/dbraw/zinc/30/63/67/1211306367.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CCN(C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879220 1211306370 /nfs/dbraw/zinc/30/63/70/1211306370.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CCN(C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879220 1211306373 /nfs/dbraw/zinc/30/63/73/1211306373.db2.gz OWANIFIWHXOUQW-APWZRJJASA-N 1 3 361.490 0.565 20 0 FCADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924662896 1211476814 /nfs/dbraw/zinc/47/68/14/1211476814.db2.gz RUNAKHFQXSNJEF-CQSZACIVSA-N 1 3 359.474 0.895 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925351836 1211496949 /nfs/dbraw/zinc/49/69/49/1211496949.db2.gz YYSZWWXLDKGZKT-BRWVUGGUSA-N 1 3 364.490 0.771 20 0 FCADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926357171 1211538696 /nfs/dbraw/zinc/53/86/96/1211538696.db2.gz NPPKUCMVFKSDQN-CYBMUJFWSA-N 1 3 359.474 0.893 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)NC1 ZINC001221391119 1225305273 /nfs/dbraw/zinc/30/52/73/1225305273.db2.gz AVSSZSXJCGOCLB-HKUYNNGSSA-N 1 3 359.518 0.771 20 0 FCADHO CN1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC1 ZINC001221404898 1225307618 /nfs/dbraw/zinc/30/76/18/1225307618.db2.gz MEFOWNUBOBYXCL-JXFKEZNVSA-N 1 3 358.486 0.285 20 0 FCADHO O=C1NC[C@H](O)CC12CCN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831163 1211824166 /nfs/dbraw/zinc/82/41/66/1211824166.db2.gz HSPVHMPKFJTKIF-NQIIRXRSSA-N 1 3 373.497 0.586 20 0 FCADHO O=C1NC[C@H](O)CC12CCN(C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831163 1211824167 /nfs/dbraw/zinc/82/41/67/1211824167.db2.gz HSPVHMPKFJTKIF-NQIIRXRSSA-N 1 3 373.497 0.586 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000933841486 1211848945 /nfs/dbraw/zinc/84/89/45/1211848945.db2.gz IFJZGDRFBMDVGE-UHFFFAOYSA-N 1 3 359.474 0.578 20 0 FCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123804 1211892167 /nfs/dbraw/zinc/89/21/67/1211892167.db2.gz KFIMEINOTUQRHP-DDBAPUKQSA-N 1 3 363.506 0.941 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001111280971 1212232354 /nfs/dbraw/zinc/23/23/54/1212232354.db2.gz FQIMJRVVTDZMRM-ZACQAIPSSA-N 1 3 366.506 0.299 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@@H+]1C ZINC000949532744 1212402407 /nfs/dbraw/zinc/40/24/07/1212402407.db2.gz CLFSWSIYYSBOIZ-JWZBEHFJSA-N 1 3 361.490 0.954 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3nc[nH]c3C)C2)CC[N@H+]1C ZINC000949532744 1212402409 /nfs/dbraw/zinc/40/24/09/1212402409.db2.gz CLFSWSIYYSBOIZ-JWZBEHFJSA-N 1 3 361.490 0.954 20 0 FCADHO COCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276315697 1213403145 /nfs/dbraw/zinc/40/31/45/1213403145.db2.gz MOBZFWNRLSSEQR-GOSISDBHSA-N 1 3 366.550 0.879 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827961 1213849720 /nfs/dbraw/zinc/84/97/20/1213849720.db2.gz CPCOYPPEQAZORA-FXAWDEMLSA-N 1 3 358.486 0.630 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@@H+]1C ZINC001014306753 1213936428 /nfs/dbraw/zinc/93/64/28/1213936428.db2.gz VKFTUQIJMKYFEO-ZIGSKRJUSA-N 1 3 359.474 0.932 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@H+]1C ZINC001014306753 1213936434 /nfs/dbraw/zinc/93/64/34/1213936434.db2.gz VKFTUQIJMKYFEO-ZIGSKRJUSA-N 1 3 359.474 0.932 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC001017488127 1214102561 /nfs/dbraw/zinc/10/25/61/1214102561.db2.gz BXLAHBURGCKDEY-OLMNPRSZSA-N 1 3 362.518 0.942 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC001017488127 1214102567 /nfs/dbraw/zinc/10/25/67/1214102567.db2.gz BXLAHBURGCKDEY-OLMNPRSZSA-N 1 3 362.518 0.942 20 0 FCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)N(C)C ZINC001019240045 1214223606 /nfs/dbraw/zinc/22/36/06/1214223606.db2.gz UCEMTKCXLIJKNK-BRWVUGGUSA-N 1 3 364.534 0.974 20 0 FCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)N(C)C ZINC001019240045 1214223612 /nfs/dbraw/zinc/22/36/12/1214223612.db2.gz UCEMTKCXLIJKNK-BRWVUGGUSA-N 1 3 364.534 0.974 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)C1 ZINC001019443322 1214243246 /nfs/dbraw/zinc/24/32/46/1214243246.db2.gz MKGVCCCZCFXNFZ-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)C1 ZINC001019443322 1214243256 /nfs/dbraw/zinc/24/32/56/1214243256.db2.gz MKGVCCCZCFXNFZ-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001040707935 1214570299 /nfs/dbraw/zinc/57/02/99/1214570299.db2.gz LQXPCNRHIPSYKM-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001040707935 1214570301 /nfs/dbraw/zinc/57/03/01/1214570301.db2.gz LQXPCNRHIPSYKM-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001040707932 1214570415 /nfs/dbraw/zinc/57/04/15/1214570415.db2.gz LQXPCNRHIPSYKM-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001040707932 1214570421 /nfs/dbraw/zinc/57/04/21/1214570421.db2.gz LQXPCNRHIPSYKM-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)COC[C@H](O)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950452 1225548876 /nfs/dbraw/zinc/54/88/76/1225548876.db2.gz IQSSMBIITSPPKS-KZNAEPCWSA-N 1 3 371.522 0.131 20 0 FCADHO CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950142 1225549131 /nfs/dbraw/zinc/54/91/31/1225549131.db2.gz VNHGSKIOBWGJAW-FGTMMUONSA-N 1 3 365.518 0.648 20 0 FCADHO CN1CCN(CCO[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001224552925 1225783835 /nfs/dbraw/zinc/78/38/35/1225783835.db2.gz UIFSNIVIGTYOJT-IRXDYDNUSA-N 1 3 368.522 0.944 20 0 FCADHO CN1CCN(CCO[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001224552925 1225783840 /nfs/dbraw/zinc/78/38/40/1225783840.db2.gz UIFSNIVIGTYOJT-IRXDYDNUSA-N 1 3 368.522 0.944 20 0 FCADHO CN(CCOCCN1C(=O)c2ccccc2C1=O)CCN1CC[NH2+]CC1 ZINC000903422405 1218408545 /nfs/dbraw/zinc/40/85/45/1218408545.db2.gz BOESFZDSPIKMSD-UHFFFAOYSA-N 1 3 360.458 0.136 20 0 FCADHO O=C(CN1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903734350 1218510679 /nfs/dbraw/zinc/51/06/79/1218510679.db2.gz XSHRVPIKKVWBHT-SFHVURJKSA-N 1 3 364.534 0.775 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227056707 1225862338 /nfs/dbraw/zinc/86/23/38/1225862338.db2.gz JGIWVWRVGNTLGE-RBSFLKMASA-N 1 3 369.510 0.579 20 0 FCADHO O=C(c1ccn(-c2ccncc2)n1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070231873 1219308928 /nfs/dbraw/zinc/30/89/28/1219308928.db2.gz ROAIXTRBDAJGHV-CVEARBPZSA-N 1 3 370.392 0.484 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070284377 1219348436 /nfs/dbraw/zinc/34/84/36/1219348436.db2.gz AFSQEYFACPPBRK-XHSDSOJGSA-N 1 3 359.434 0.155 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2NCc2cccnc2)c1 ZINC001070564151 1219471221 /nfs/dbraw/zinc/47/12/21/1219471221.db2.gz XHLMZPSUJQNMIB-ZIFCJYIRSA-N 1 3 368.485 0.851 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cccnc2)c1 ZINC001070564151 1219471225 /nfs/dbraw/zinc/47/12/25/1219471225.db2.gz XHLMZPSUJQNMIB-ZIFCJYIRSA-N 1 3 368.485 0.851 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCF)C2)C1 ZINC001070682083 1219522891 /nfs/dbraw/zinc/52/28/91/1219522891.db2.gz JBKNOLNLHFILNW-INMHGKMJSA-N 1 3 367.469 0.383 20 0 FCADHO CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001071072709 1219600463 /nfs/dbraw/zinc/60/04/63/1219600463.db2.gz JAWWEXDEHWHTAQ-GPCAFAEISA-N 1 3 363.502 0.855 20 0 FCADHO CCN(CC)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074596156 1219699324 /nfs/dbraw/zinc/69/93/24/1219699324.db2.gz KTKIXQWBHMWDTC-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074596156 1219699328 /nfs/dbraw/zinc/69/93/28/1219699328.db2.gz KTKIXQWBHMWDTC-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(CCO)Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001098370967 1219768228 /nfs/dbraw/zinc/76/82/28/1219768228.db2.gz DJNBTXLBNLJELM-CRAIPNDOSA-N 1 3 363.506 0.546 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(CCO)Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001098370967 1219768232 /nfs/dbraw/zinc/76/82/32/1219768232.db2.gz DJNBTXLBNLJELM-CRAIPNDOSA-N 1 3 363.506 0.546 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001099445705 1219998859 /nfs/dbraw/zinc/99/88/59/1219998859.db2.gz CDUPSDAKCIRUBE-KNBMTAEXSA-N 1 3 362.518 0.968 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001099446276 1219999366 /nfs/dbraw/zinc/99/93/66/1219999366.db2.gz KJLNBPHUXNEDBC-BXWFABGCSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3cn(C)nn3)C2)C1 ZINC001099499628 1220015199 /nfs/dbraw/zinc/01/51/99/1220015199.db2.gz KUMFKXJCVMVDSW-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3cn(C)nn3)C2)C1 ZINC001099499628 1220015204 /nfs/dbraw/zinc/01/52/04/1220015204.db2.gz KUMFKXJCVMVDSW-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001099504821 1220016671 /nfs/dbraw/zinc/01/66/71/1220016671.db2.gz BBBYHFPFAWVQMF-QOKNQOGYSA-N 1 3 369.473 0.950 20 0 FCADHO Cc1nnc(CNC[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)[nH]1 ZINC001099525509 1220023309 /nfs/dbraw/zinc/02/33/09/1220023309.db2.gz FZBKUNXRKDOILA-KXBFYZLASA-N 1 3 358.490 0.927 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101441256 1220346932 /nfs/dbraw/zinc/34/69/32/1220346932.db2.gz OZVCKPNVKRVTHG-APWZRJJASA-N 1 3 365.522 0.524 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101441256 1220346937 /nfs/dbraw/zinc/34/69/37/1220346937.db2.gz OZVCKPNVKRVTHG-APWZRJJASA-N 1 3 365.522 0.524 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478155 1220368527 /nfs/dbraw/zinc/36/85/27/1220368527.db2.gz AKLFQISERAZERC-MJGOQNOKSA-N 1 3 368.522 0.260 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478155 1220368530 /nfs/dbraw/zinc/36/85/30/1220368530.db2.gz AKLFQISERAZERC-MJGOQNOKSA-N 1 3 368.522 0.260 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228932576 1225964447 /nfs/dbraw/zinc/96/44/47/1225964447.db2.gz QKJBZKVUUOHRND-RBSFLKMASA-N 1 3 367.494 0.461 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976195 1220450142 /nfs/dbraw/zinc/45/01/42/1220450142.db2.gz OHSQJAMMIUZJQT-DJIMGWMZSA-N 1 3 364.534 0.927 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368337 1220596434 /nfs/dbraw/zinc/59/64/34/1220596434.db2.gz PXTUVDHDGUADMQ-JFIYKMOQSA-N 1 3 368.522 0.308 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368337 1220596437 /nfs/dbraw/zinc/59/64/37/1220596437.db2.gz PXTUVDHDGUADMQ-JFIYKMOQSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598977 1220721375 /nfs/dbraw/zinc/72/13/75/1220721375.db2.gz ISGKNRNTZORFNA-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001229239027 1225991679 /nfs/dbraw/zinc/99/16/79/1225991679.db2.gz UYCLWIVYEXOTLO-BRWVUGGUSA-N 1 3 368.522 0.593 20 0 FCADHO Cc1cc(CN2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)nn1C ZINC001103641894 1220926067 /nfs/dbraw/zinc/92/60/67/1220926067.db2.gz IPVLDCFNFUXNBA-NVXWUHKLSA-N 1 3 365.522 0.881 20 0 FCADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662827 1220932433 /nfs/dbraw/zinc/93/24/33/1220932433.db2.gz TWXQISWREUFZDQ-RBSFLKMASA-N 1 3 369.510 0.376 20 0 FCADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662827 1220932435 /nfs/dbraw/zinc/93/24/35/1220932435.db2.gz TWXQISWREUFZDQ-RBSFLKMASA-N 1 3 369.510 0.376 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719258 1220952951 /nfs/dbraw/zinc/95/29/51/1220952951.db2.gz WXPKFWXKYHJOQE-KBAYOESNSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719258 1220952960 /nfs/dbraw/zinc/95/29/60/1220952960.db2.gz WXPKFWXKYHJOQE-KBAYOESNSA-N 1 3 364.534 0.929 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)NC(C)C ZINC001229933496 1226040548 /nfs/dbraw/zinc/04/05/48/1226040548.db2.gz QJHUUSDWAHJKLP-HUUCEWRRSA-N 1 3 364.494 0.985 20 0 FCADHO Cc1cccc2nc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn21 ZINC001117288630 1221505866 /nfs/dbraw/zinc/50/58/66/1221505866.db2.gz QJJFVZFCAMIOES-UHFFFAOYSA-N 1 3 374.489 0.211 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117311821 1221514595 /nfs/dbraw/zinc/51/45/95/1221514595.db2.gz OXONFOVVFRGRHW-IRXDYDNUSA-N 1 3 367.538 0.119 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3nnc(C)n3C)CC2)CC1 ZINC001118314289 1221757339 /nfs/dbraw/zinc/75/73/39/1221757339.db2.gz OQYSJCLGDYVSPW-UHFFFAOYSA-N 1 3 362.522 0.979 20 0 FCADHO NC(=O)CNC(=O)c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001118387869 1221772419 /nfs/dbraw/zinc/77/24/19/1221772419.db2.gz XTUGSXZYXMDALM-QGZVFWFLSA-N 1 3 360.458 0.245 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001230284462 1226071759 /nfs/dbraw/zinc/07/17/59/1226071759.db2.gz GIRCSPCXNULVPJ-GVDBMIGSSA-N 1 3 368.522 0.327 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001230284561 1226072070 /nfs/dbraw/zinc/07/20/70/1226072070.db2.gz KXHVQVKEUBVVME-BRWVUGGUSA-N 1 3 368.522 0.496 20 0 FCADHO C[C@H]1Cn2nc(C(=O)N(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147978 1222245063 /nfs/dbraw/zinc/24/50/63/1222245063.db2.gz GNNITLVCHSTFQZ-HOCLYGCPSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@H]1Cn2nc(C(=O)N(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2CN1 ZINC001122147978 1222245068 /nfs/dbraw/zinc/24/50/68/1222245068.db2.gz GNNITLVCHSTFQZ-HOCLYGCPSA-N 1 3 360.506 0.615 20 0 FCADHO C[C@H]1Cn2nc(C(=O)N(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2CN1 ZINC001122147978 1222245074 /nfs/dbraw/zinc/24/50/74/1222245074.db2.gz GNNITLVCHSTFQZ-HOCLYGCPSA-N 1 3 360.506 0.615 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841143113 1222809514 /nfs/dbraw/zinc/80/95/14/1222809514.db2.gz INNUZIRAPXHFGX-OAHLLOKOSA-N 1 3 359.474 0.717 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000841279244 1222817530 /nfs/dbraw/zinc/81/75/30/1222817530.db2.gz DRPKXLYVSHWPQQ-RHSMWYFYSA-N 1 3 359.474 0.573 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000842201036 1222840446 /nfs/dbraw/zinc/84/04/46/1222840446.db2.gz GOWQZSLUFIOYQO-OKZBNKHCSA-N 1 3 356.470 0.540 20 0 FCADHO NC(=O)COc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843057869 1222858082 /nfs/dbraw/zinc/85/80/82/1222858082.db2.gz NAALLSBNBJYCAJ-WMZOPIPTSA-N 1 3 374.485 0.631 20 0 FCADHO Cc1nc(N)ccc1CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001277693569 1226159537 /nfs/dbraw/zinc/15/95/37/1226159537.db2.gz BFTZHYNVWPFGPS-LJQANCHMSA-N 1 3 359.474 0.875 20 0 FCADHO CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C1CCC([NH3+])CC1)C2=O ZINC000843353807 1222872186 /nfs/dbraw/zinc/87/21/86/1222872186.db2.gz KWLUTPROULBZME-UHFFFAOYSA-N 1 3 365.478 0.720 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354335 1222872664 /nfs/dbraw/zinc/87/26/64/1222872664.db2.gz ZCCHPXFJMZLRAS-ZIAGYGMSSA-N 1 3 365.478 0.722 20 0 FCADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843384846 1222874642 /nfs/dbraw/zinc/87/46/42/1222874642.db2.gz CMSFUDGMRKJBHC-AWEZNQCLSA-N 1 3 365.478 0.866 20 0 FCADHO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[C@]2(C1)CNCCO2)C(=O)N1CCCC1 ZINC001157371228 1223075746 /nfs/dbraw/zinc/07/57/46/1223075746.db2.gz QCBBRKKSILFFEV-GJYPPUQNSA-N 1 3 366.506 0.381 20 0 FCADHO Cc1nc(-n2cncn2)cc(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157847978 1223082969 /nfs/dbraw/zinc/08/29/69/1223082969.db2.gz LKVKYTBXJZNDKY-UHFFFAOYSA-N 1 3 356.478 0.830 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001158497904 1223100728 /nfs/dbraw/zinc/10/07/28/1223100728.db2.gz ISBAOKUEXLBPHE-FJIDUMEYSA-N 1 3 357.454 0.481 20 0 FCADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158567647 1223102509 /nfs/dbraw/zinc/10/25/09/1223102509.db2.gz JEYXGQKTDAINNR-QYZOEREBSA-N 1 3 370.497 0.440 20 0 FCADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158567647 1223102513 /nfs/dbraw/zinc/10/25/13/1223102513.db2.gz JEYXGQKTDAINNR-QYZOEREBSA-N 1 3 370.497 0.440 20 0 FCADHO CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)CC2 ZINC001158699198 1223105545 /nfs/dbraw/zinc/10/55/45/1223105545.db2.gz XVZFXIXLICYTAS-CLCXKQKWSA-N 1 3 360.506 0.632 20 0 FCADHO N[C@@H](C(=O)N1CCC2(CCCN2c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001158759592 1223107353 /nfs/dbraw/zinc/10/73/53/1223107353.db2.gz RLNUQLAFDWIXDL-MRXNPFEDSA-N 1 3 358.490 0.765 20 0 FCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)Cc2cccc(O)c2)C1 ZINC001159135761 1223118588 /nfs/dbraw/zinc/11/85/88/1223118588.db2.gz ZAQJOCUEIXKEDR-RDJZCZTQSA-N 1 3 357.458 0.679 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159698327 1223134425 /nfs/dbraw/zinc/13/44/25/1223134425.db2.gz LRKGKLBWLAZXKC-SJORKVTESA-N 1 3 368.481 0.318 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159697381 1223134630 /nfs/dbraw/zinc/13/46/30/1223134630.db2.gz NGBCXWNFKVTEDC-MWDXBVQZSA-N 1 3 372.469 0.275 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159764055 1223135924 /nfs/dbraw/zinc/13/59/24/1223135924.db2.gz DELLTIZRNIDGLF-NCOADZHNSA-N 1 3 366.506 0.080 20 0 FCADHO N[C@H](C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21)C1CC[NH2+]CC1 ZINC001160025889 1223143102 /nfs/dbraw/zinc/14/31/02/1223143102.db2.gz FEQQLQBKJYXLNM-NCOADZHNSA-N 1 3 364.490 0.084 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160109720 1223145859 /nfs/dbraw/zinc/14/58/59/1223145859.db2.gz GVFGNTXYHPFSAE-HOTGVXAUSA-N 1 3 359.474 0.503 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(Oc2ccccc2)C1 ZINC001160498158 1223163184 /nfs/dbraw/zinc/16/31/84/1223163184.db2.gz FQGPGUWIAVWRCY-ROUUACIJSA-N 1 3 374.485 0.724 20 0 FCADHO O=C(N1CCN(Cc2c[nH]c3ncccc23)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160566224 1223164512 /nfs/dbraw/zinc/16/45/12/1223164512.db2.gz NMBASDTWMTVWAZ-OXQOHEQNSA-N 1 3 368.485 0.406 20 0 FCADHO COC(=O)c1ccc(CN2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)cc1 ZINC001160568974 1223164551 /nfs/dbraw/zinc/16/45/51/1223164551.db2.gz KWULAUHAKHUOEZ-KRWDZBQOSA-N 1 3 362.474 0.574 20 0 FCADHO COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161145734 1223187321 /nfs/dbraw/zinc/18/73/21/1223187321.db2.gz ITMRYEIXMFVZNR-IAGOWNOFSA-N 1 3 362.474 0.329 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321575 1223195917 /nfs/dbraw/zinc/19/59/17/1223195917.db2.gz KMXWFALVPKXLNX-XSWJXKHESA-N 1 3 368.522 0.754 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001161360019 1223196451 /nfs/dbraw/zinc/19/64/51/1223196451.db2.gz SHMQLIYJDRLMML-JKSUJKDBSA-N 1 3 369.469 0.834 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1Cc3ccccc3C1)CC2 ZINC001161480838 1223200715 /nfs/dbraw/zinc/20/07/15/1223200715.db2.gz VMGBPUAVNAWATR-ABSDTBQOSA-N 1 3 357.454 0.482 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161580540 1223204892 /nfs/dbraw/zinc/20/48/92/1223204892.db2.gz XJNFELIZNAMMHU-SFHVURJKSA-N 1 3 353.470 0.954 20 0 FCADHO c1ncc([C@@H]2CN3CCC2CC3)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973373 1223222890 /nfs/dbraw/zinc/22/28/90/1223222890.db2.gz JOAJCTQGIPVELF-CQSZACIVSA-N 1 3 354.462 0.983 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOCCNC(C)=O)C[C@H]2C)CC[N@@H+]1C ZINC001207001361 1223403425 /nfs/dbraw/zinc/40/34/25/1223403425.db2.gz VIYSPJZNFXKJCZ-BZZMCLGOSA-N 1 3 368.522 0.306 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOCCNC(C)=O)C[C@H]2C)CC[N@H+]1C ZINC001207001361 1223403428 /nfs/dbraw/zinc/40/34/28/1223403428.db2.gz VIYSPJZNFXKJCZ-BZZMCLGOSA-N 1 3 368.522 0.306 20 0 FCADHO Cn1cc(C(=O)N[C@H]2CN(CC3CC[NH+](C)CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001207398167 1223443713 /nfs/dbraw/zinc/44/37/13/1223443713.db2.gz YQEQQYQOJMOAEZ-RCCFBDPRSA-N 1 3 361.490 0.724 20 0 FCADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784451 1223479506 /nfs/dbraw/zinc/47/95/06/1223479506.db2.gz KSFCZDUTPGGIIL-NVXWUHKLSA-N 1 3 357.462 0.636 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001208070068 1223513334 /nfs/dbraw/zinc/51/33/34/1223513334.db2.gz CHLJTENEHWUACK-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001208070068 1223513337 /nfs/dbraw/zinc/51/33/37/1223513337.db2.gz CHLJTENEHWUACK-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405158 1223539055 /nfs/dbraw/zinc/53/90/55/1223539055.db2.gz MERCZHYPJJNSGO-DJIMGWMZSA-N 1 3 366.506 0.058 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405158 1223539060 /nfs/dbraw/zinc/53/90/60/1223539060.db2.gz MERCZHYPJJNSGO-DJIMGWMZSA-N 1 3 366.506 0.058 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412805 1223541765 /nfs/dbraw/zinc/54/17/65/1223541765.db2.gz NMUWRKVQLLQAQN-MXSMSXNCSA-N 1 3 368.522 0.306 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412805 1223541770 /nfs/dbraw/zinc/54/17/70/1223541770.db2.gz NMUWRKVQLLQAQN-MXSMSXNCSA-N 1 3 368.522 0.306 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192608 1223765552 /nfs/dbraw/zinc/76/55/52/1223765552.db2.gz TUIUMBBURSJANK-CBYDULDESA-N 1 3 367.490 0.092 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192608 1223765556 /nfs/dbraw/zinc/76/55/56/1223765556.db2.gz TUIUMBBURSJANK-CBYDULDESA-N 1 3 367.490 0.092 20 0 FCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001213189930 1223765698 /nfs/dbraw/zinc/76/56/98/1223765698.db2.gz JLRIJWFLDJYITF-CBYDULDESA-N 1 3 369.481 0.805 20 0 FCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001213189930 1223765699 /nfs/dbraw/zinc/76/56/99/1223765699.db2.gz JLRIJWFLDJYITF-CBYDULDESA-N 1 3 369.481 0.805 20 0 FCADHO CO[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369548 1223791124 /nfs/dbraw/zinc/79/11/24/1223791124.db2.gz VHOXHYWXQXAEDQ-RCCFBDPRSA-N 1 3 369.506 0.339 20 0 FCADHO CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730339 1223840394 /nfs/dbraw/zinc/84/03/94/1223840394.db2.gz LWTHNUJJRTVPGC-QZTJIDSGSA-N 1 3 371.522 0.587 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C)C1CC1 ZINC001214648343 1223929011 /nfs/dbraw/zinc/92/90/11/1223929011.db2.gz JFUMOBNBONSBAM-ZTFGCOKTSA-N 1 3 362.518 0.776 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001214845429 1223947507 /nfs/dbraw/zinc/94/75/07/1223947507.db2.gz UGQJGLQLVDCRGV-BPQIPLTHSA-N 1 3 364.534 0.927 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001214845429 1223947508 /nfs/dbraw/zinc/94/75/08/1223947508.db2.gz UGQJGLQLVDCRGV-BPQIPLTHSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214861292 1223949141 /nfs/dbraw/zinc/94/91/41/1223949141.db2.gz PELCPTRVVCADPI-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889110 1223952248 /nfs/dbraw/zinc/95/22/48/1223952248.db2.gz HNLOTELJJWZEQR-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889110 1223952250 /nfs/dbraw/zinc/95/22/50/1223952250.db2.gz HNLOTELJJWZEQR-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001215416225 1223998664 /nfs/dbraw/zinc/99/86/64/1223998664.db2.gz QAIITVPCBGWNCN-OWCLPIDISA-N 1 3 366.506 0.012 20 0 FCADHO CC(C)CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458838 1224000415 /nfs/dbraw/zinc/00/04/15/1224000415.db2.gz MYHUXZYMPQSOKE-IAGOWNOFSA-N 1 3 370.538 0.554 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053100 1224031676 /nfs/dbraw/zinc/03/16/76/1224031676.db2.gz BLOULEAPNUYOBF-IAGOWNOFSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001216459204 1224052415 /nfs/dbraw/zinc/05/24/15/1224052415.db2.gz RDHLFRQCPRFIRJ-IXDOHACOSA-N 1 3 368.522 0.308 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001216493818 1224053113 /nfs/dbraw/zinc/05/31/13/1224053113.db2.gz CGYKTQLPBJBQHJ-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001216493818 1224053117 /nfs/dbraw/zinc/05/31/17/1224053117.db2.gz CGYKTQLPBJBQHJ-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752248 1224068483 /nfs/dbraw/zinc/06/84/83/1224068483.db2.gz JBHHRVWLWSMPMB-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752248 1224068485 /nfs/dbraw/zinc/06/84/85/1224068485.db2.gz JBHHRVWLWSMPMB-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835932 1224076984 /nfs/dbraw/zinc/07/69/84/1224076984.db2.gz ODTYYQYMUSXZOT-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216841009 1224078105 /nfs/dbraw/zinc/07/81/05/1224078105.db2.gz LXGDWCKTFTYYMW-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216844624 1224078786 /nfs/dbraw/zinc/07/87/86/1224078786.db2.gz HAJZFQLYPZPQRQ-ZACQAIPSSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216964519 1224082241 /nfs/dbraw/zinc/08/22/41/1224082241.db2.gz CRGKXDAFJQZCTA-RBSFLKMASA-N 1 3 367.494 0.272 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993502530 1249599648 /nfs/dbraw/zinc/59/96/48/1249599648.db2.gz PFKOORYDBYFSBX-UJAMICLKSA-N 1 3 373.501 0.989 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993502530 1249599655 /nfs/dbraw/zinc/59/96/55/1249599655.db2.gz PFKOORYDBYFSBX-UJAMICLKSA-N 1 3 373.501 0.989 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000823072401 1245319822 /nfs/dbraw/zinc/31/98/22/1245319822.db2.gz OYKDJIRILUKZLU-UHFFFAOYSA-N 1 3 366.506 0.110 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000911516473 1245504660 /nfs/dbraw/zinc/50/46/60/1245504660.db2.gz KJGNTADDJUQYKJ-ZTFGCOKTSA-N 1 3 356.470 0.672 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C[NH+]1CCCCC1 ZINC000911517775 1245505124 /nfs/dbraw/zinc/50/51/24/1245505124.db2.gz MLOXYFVKNIEULA-ZTFGCOKTSA-N 1 3 358.486 0.966 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@@H+]1CCC[C@H](C)C1 ZINC000911518656 1245506003 /nfs/dbraw/zinc/50/60/03/1245506003.db2.gz ZRWAPVSPVMBYBD-LBTBCDHLSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@H+]1CCC[C@H](C)C1 ZINC000911518656 1245506012 /nfs/dbraw/zinc/50/60/12/1245506012.db2.gz ZRWAPVSPVMBYBD-LBTBCDHLSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000994219567 1250292219 /nfs/dbraw/zinc/29/22/19/1250292219.db2.gz QVVXVHMOUIJKRK-LZLYRXPVSA-N 1 3 364.534 0.881 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC000977208557 1248577361 /nfs/dbraw/zinc/57/73/61/1248577361.db2.gz NUTGJUITHMKZHB-SQZHQNNWSA-N 1 3 362.518 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC000977208557 1248577369 /nfs/dbraw/zinc/57/73/69/1248577369.db2.gz NUTGJUITHMKZHB-SQZHQNNWSA-N 1 3 362.518 0.632 20 0 FCADHO NCc1nnc(-c2ccc(NC(=O)c3cnnn3C3CC[NH2+]CC3)cc2)[nH]1 ZINC001328442341 1265549533 /nfs/dbraw/zinc/54/95/33/1265549533.db2.gz GEGVPYFIDVKSNV-UHFFFAOYSA-N 1 3 367.417 0.699 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001328769910 1265609416 /nfs/dbraw/zinc/60/94/16/1265609416.db2.gz GBKLAFSWCTZXFA-CYBMUJFWSA-N 1 3 370.444 0.969 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CCN(CCOC)C3)nn2)CC[N@@H+]1C ZINC000999985670 1252258802 /nfs/dbraw/zinc/25/88/02/1252258802.db2.gz DFGGHXWVPFJECI-YESZJQIVSA-N 1 3 364.494 0.518 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CCN(CCOC)C3)nn2)CC[N@H+]1C ZINC000999985670 1252258811 /nfs/dbraw/zinc/25/88/11/1252258811.db2.gz DFGGHXWVPFJECI-YESZJQIVSA-N 1 3 364.494 0.518 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001518771851 1265679742 /nfs/dbraw/zinc/67/97/42/1265679742.db2.gz BUXLXCXHDXYCJR-TWMKSMIVSA-N 1 3 369.554 0.808 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001518771851 1265679749 /nfs/dbraw/zinc/67/97/49/1265679749.db2.gz BUXLXCXHDXYCJR-TWMKSMIVSA-N 1 3 369.554 0.808 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001004816721 1253413704 /nfs/dbraw/zinc/41/37/04/1253413704.db2.gz JTSLNBTXTRBDSD-SRABZTEZSA-N 1 3 359.474 0.851 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001004816721 1253413705 /nfs/dbraw/zinc/41/37/05/1253413705.db2.gz JTSLNBTXTRBDSD-SRABZTEZSA-N 1 3 359.474 0.851 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001027416300 1253852833 /nfs/dbraw/zinc/85/28/33/1253852833.db2.gz DGSJITFFIYHDJR-BZUAXINKSA-N 1 3 364.490 0.398 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001027416300 1253852846 /nfs/dbraw/zinc/85/28/46/1253852846.db2.gz DGSJITFFIYHDJR-BZUAXINKSA-N 1 3 364.490 0.398 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001061622240 1254195016 /nfs/dbraw/zinc/19/50/16/1254195016.db2.gz NYOALDRLEVXLKG-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001061622240 1254195023 /nfs/dbraw/zinc/19/50/23/1254195023.db2.gz NYOALDRLEVXLKG-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO Cc1cc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n(C2CC[NH+](C)CC2)n1 ZINC001329795275 1265851070 /nfs/dbraw/zinc/85/10/70/1265851070.db2.gz RYDYGJHEUSTSLE-UHFFFAOYSA-N 1 3 374.449 0.734 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1 ZINC001520304273 1265903065 /nfs/dbraw/zinc/90/30/65/1265903065.db2.gz SFSROYIIYRUDRT-KURKYZTESA-N 1 3 364.534 0.977 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1 ZINC001520304272 1265903166 /nfs/dbraw/zinc/90/31/66/1265903166.db2.gz SFSROYIIYRUDRT-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080039164 1255722406 /nfs/dbraw/zinc/72/24/06/1255722406.db2.gz ZZFHKFQLUNLXAL-IXDOHACOSA-N 1 3 361.490 0.309 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082508082 1256793470 /nfs/dbraw/zinc/79/34/70/1256793470.db2.gz PGZWZYYPWALZIR-ZACQAIPSSA-N 1 3 366.506 0.155 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082508082 1256793473 /nfs/dbraw/zinc/79/34/73/1256793473.db2.gz PGZWZYYPWALZIR-ZACQAIPSSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC(=O)N1CCCC1 ZINC001082585945 1256901109 /nfs/dbraw/zinc/90/11/09/1256901109.db2.gz RBUVDBUOAGSXTE-IAGOWNOFSA-N 1 3 362.518 0.921 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1)N(C)C ZINC001082589196 1256902500 /nfs/dbraw/zinc/90/25/00/1256902500.db2.gz NVAICSMVNRXWAX-BPLDGKMQSA-N 1 3 360.462 0.299 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082663434 1256966500 /nfs/dbraw/zinc/96/65/00/1256966500.db2.gz NZIFMKONHSVEPD-SZVBFZGTSA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1)N(C)C ZINC001082748672 1257029236 /nfs/dbraw/zinc/02/92/36/1257029236.db2.gz WNDRRKWOLUPXHZ-KFWWJZLASA-N 1 3 365.526 0.747 20 0 FCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082828814 1257086261 /nfs/dbraw/zinc/08/62/61/1257086261.db2.gz KCGNOSKQUNLAKE-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cccc(C(N)=O)c1 ZINC001082863148 1257113234 /nfs/dbraw/zinc/11/32/34/1257113234.db2.gz OGVSRUPFDSKTHM-RHSMWYFYSA-N 1 3 356.470 0.818 20 0 FCADHO COc1ncc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c(C)n1 ZINC001082863205 1257113919 /nfs/dbraw/zinc/11/39/19/1257113919.db2.gz SJODMLKJVQEOQT-CZUORRHYSA-N 1 3 359.474 0.826 20 0 FCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777573 1257517033 /nfs/dbraw/zinc/51/70/33/1257517033.db2.gz CDHMFFLOEKLYGB-JTDSTZFVSA-N 1 3 371.497 0.787 20 0 FCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777573 1257517037 /nfs/dbraw/zinc/51/70/37/1257517037.db2.gz CDHMFFLOEKLYGB-JTDSTZFVSA-N 1 3 371.497 0.787 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@@H]2O)cn1 ZINC001083851330 1257608253 /nfs/dbraw/zinc/60/82/53/1257608253.db2.gz ZVGBDCNBOJHVNO-MSOLQXFVSA-N 1 3 363.506 0.800 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1 ZINC001088211564 1258734539 /nfs/dbraw/zinc/73/45/39/1258734539.db2.gz PWYZVLMFMYTHJQ-SQNIBIBYSA-N 1 3 362.518 0.921 20 0 FCADHO CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105652363 1258921683 /nfs/dbraw/zinc/92/16/83/1258921683.db2.gz LJXDMPLJWIUKNI-OHDICMOHSA-N 1 3 368.522 0.040 20 0 FCADHO Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001106666466 1258936697 /nfs/dbraw/zinc/93/66/97/1258936697.db2.gz LTAOKGQMFWNVQV-HDMKZQKVSA-N 1 3 362.522 0.921 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665453 1258936932 /nfs/dbraw/zinc/93/69/32/1258936932.db2.gz XAVPQECDAGFKMD-IXDOHACOSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106672548 1258938671 /nfs/dbraw/zinc/93/86/71/1258938671.db2.gz CKJBSQBIFAEFFS-HZPDHXFCSA-N 1 3 367.538 0.674 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCOC2)[C@H](C)C1 ZINC001106910994 1258994445 /nfs/dbraw/zinc/99/44/45/1258994445.db2.gz ZNUVBIAOFVYFPS-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001107042566 1259024229 /nfs/dbraw/zinc/02/42/29/1259024229.db2.gz SEAWZZZDQRTHPL-BRWVUGGUSA-N 1 3 368.522 0.258 20 0 FCADHO CN(CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1)c1cc[nH+]cc1 ZINC001129081056 1259306425 /nfs/dbraw/zinc/30/64/25/1259306425.db2.gz UPWJSACQEFTQPG-MSOLQXFVSA-N 1 3 369.473 0.951 20 0 FCADHO COC(=O)c1cccc(CN2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)n1 ZINC001236031324 1259587390 /nfs/dbraw/zinc/58/73/90/1259587390.db2.gz TXHAJFFPFOBTGX-JUIVLLAYSA-N 1 3 359.426 0.699 20 0 FCADHO COC(=O)[C@H](N)[C@@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001236279512 1259588873 /nfs/dbraw/zinc/58/88/73/1259588873.db2.gz YOYYNRMKQVPBEA-RTBURBONSA-N 1 3 360.502 0.804 20 0 FCADHO COCCc1ccc(OC[C@H](O)CNC2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245988192 1259644589 /nfs/dbraw/zinc/64/45/89/1259644589.db2.gz GKGPWAQTIZVJBF-LJQANCHMSA-N 1 3 363.502 0.641 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461517 1259671967 /nfs/dbraw/zinc/67/19/67/1259671967.db2.gz WKKCPGDGFOOKFI-HRCADAONSA-N 1 3 352.479 0.308 20 0 FCADHO Cn1ccc(CN2CCOCC23CCN([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246751236 1259680426 /nfs/dbraw/zinc/68/04/26/1259680426.db2.gz YBHISXRHNICPGU-GOSISDBHSA-N 1 3 374.533 0.181 20 0 FCADHO O=C(c1ccco1)N1CCC[C@@]2(C1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766038 1259683683 /nfs/dbraw/zinc/68/36/83/1259683683.db2.gz OKCVTUGVPPAAOI-UZLBHIALSA-N 1 3 374.485 0.681 20 0 FCADHO Fc1cc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc(F)c1OC1COC1 ZINC001247852427 1259707320 /nfs/dbraw/zinc/70/73/20/1259707320.db2.gz SQWYOMADBSPNEX-UHFFFAOYSA-N 1 3 364.352 0.853 20 0 FCADHO CCOC[C@@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001252041932 1259776289 /nfs/dbraw/zinc/77/62/89/1259776289.db2.gz WINPGVJODJFAJD-ROUUACIJSA-N 1 3 363.502 0.788 20 0 FCADHO Cc1nc(NC[C@H](O)C[NH2+]C(C)(C)C)cc(N2CCN(CCO)CC2)n1 ZINC001253385255 1259837332 /nfs/dbraw/zinc/83/73/32/1259837332.db2.gz OLLVCHJLUIOLJH-HNNXBMFYSA-N 1 3 366.510 0.060 20 0 FCADHO Cn1nnc2c1CCN([C@H]1CCCN(C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001255490558 1259916097 /nfs/dbraw/zinc/91/60/97/1259916097.db2.gz UGXIINJBSLQNOC-FUHWJXTLSA-N 1 3 362.522 0.921 20 0 FCADHO CN1CCN(C2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC001262007167 1260244786 /nfs/dbraw/zinc/24/47/86/1260244786.db2.gz WHWMWOMRHKBMDH-SFHVURJKSA-N 1 3 360.506 0.660 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650332 1260443857 /nfs/dbraw/zinc/44/38/57/1260443857.db2.gz FEJNYIVBPVOIRI-VQIMIIECSA-N 1 3 366.506 0.110 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650332 1260443862 /nfs/dbraw/zinc/44/38/62/1260443862.db2.gz FEJNYIVBPVOIRI-VQIMIIECSA-N 1 3 366.506 0.110 20 0 FCADHO Cc1[nH]c(=O)[nH]c(=O)c1CN[C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001279571891 1260895145 /nfs/dbraw/zinc/89/51/45/1260895145.db2.gz CFMDHBZHRPEOQF-ZWKOTPCHSA-N 1 3 363.462 0.809 20 0 FCADHO C[NH+](C)CCN1CCN(Cc2cnccc2N)C[C@]2(CCCC(=O)N2)C1 ZINC001279617153 1260899876 /nfs/dbraw/zinc/89/98/76/1260899876.db2.gz RFIVAMNBODGPNR-IBGZPJMESA-N 1 3 360.506 0.212 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@@H]2CCN(C[C@@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892311 1260953198 /nfs/dbraw/zinc/95/31/98/1260953198.db2.gz FUDUBUKMJDIFPR-YJBOKZPZSA-N 1 3 361.490 0.877 20 0 FCADHO C[NH+]1CCC(C)(CN2CC3(C[C@H]3C(=O)N3CC(N4CC(F)C4)C3)C2)CC1 ZINC001280214175 1261035415 /nfs/dbraw/zinc/03/54/15/1261035415.db2.gz AUIUALOTAXZXLU-KRWDZBQOSA-N 1 3 364.509 0.905 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1O ZINC001281916664 1261284315 /nfs/dbraw/zinc/28/43/15/1261284315.db2.gz ZCELBRIAPXUUED-CVEARBPZSA-N 1 3 370.538 0.384 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1O ZINC001281916664 1261284316 /nfs/dbraw/zinc/28/43/16/1261284316.db2.gz ZCELBRIAPXUUED-CVEARBPZSA-N 1 3 370.538 0.384 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001290527894 1262464043 /nfs/dbraw/zinc/46/40/43/1262464043.db2.gz LZVQSRJEYKFQNE-IKGGRYGDSA-N 1 3 350.507 0.587 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001290527894 1262464045 /nfs/dbraw/zinc/46/40/45/1262464045.db2.gz LZVQSRJEYKFQNE-IKGGRYGDSA-N 1 3 350.507 0.587 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001316704282 1263429804 /nfs/dbraw/zinc/42/98/04/1263429804.db2.gz OWNXLDBPZLOIGU-ILXRZTDVSA-N 1 3 369.510 0.389 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3nnc4n3CCC4)CC2)CC1 ZINC001318599599 1263591340 /nfs/dbraw/zinc/59/13/40/1263591340.db2.gz TYIQKQQHPVLGMM-UHFFFAOYSA-N 1 3 361.494 0.582 20 0 FCADHO CCc1nncn1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001320415007 1263793525 /nfs/dbraw/zinc/79/35/25/1263793525.db2.gz IKPUPEHZZSSYNQ-UHFFFAOYSA-N 1 3 363.510 0.698 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)COC2 ZINC001322007022 1264129826 /nfs/dbraw/zinc/12/98/26/1264129826.db2.gz LPIQNYLKVDPUPD-UHFFFAOYSA-N 1 3 362.474 0.285 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3(O)CCOCC3)CC2)CC1 ZINC001322848823 1264282701 /nfs/dbraw/zinc/28/27/01/1264282701.db2.gz AEHHEHWCXICPJY-UHFFFAOYSA-N 1 3 368.522 0.776 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580402114 1278231143 /nfs/dbraw/zinc/23/11/43/1278231143.db2.gz GBSAOWDAZFYUJI-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580402114 1278231167 /nfs/dbraw/zinc/23/11/67/1278231167.db2.gz GBSAOWDAZFYUJI-HIFRSBDPSA-N 1 3 357.462 0.803 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)CC1 ZINC001326115545 1265059836 /nfs/dbraw/zinc/05/98/36/1265059836.db2.gz HSFADRWXEVWULA-GOSISDBHSA-N 1 3 361.490 0.222 20 0 FCADHO C[C@H]1CC(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC001326185231 1265075312 /nfs/dbraw/zinc/07/53/12/1265075312.db2.gz AWKYQYIUBXZVDP-HOTGVXAUSA-N 1 3 370.538 0.648 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001514149365 1265327142 /nfs/dbraw/zinc/32/71/42/1265327142.db2.gz DLBIYHAPYDMITQ-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001514149365 1265327152 /nfs/dbraw/zinc/32/71/52/1265327152.db2.gz DLBIYHAPYDMITQ-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC001327499269 1265341807 /nfs/dbraw/zinc/34/18/07/1265341807.db2.gz GBWCBYVRCFRDDF-CZUORRHYSA-N 1 3 364.450 0.069 20 0 FCADHO Cn1cc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001548938257 1267774046 /nfs/dbraw/zinc/77/40/46/1267774046.db2.gz KUXMYSMAUGWSEV-DZGCQCFKSA-N 1 3 372.477 0.415 20 0 FCADHO CN1CCN([C@H]2CC[N@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131052 1268079167 /nfs/dbraw/zinc/07/91/67/1268079167.db2.gz SFDWAQOYNZZEEC-SFTDATJTSA-N 1 3 358.530 0.945 20 0 FCADHO CN1CCN([C@H]2CC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131052 1268079176 /nfs/dbraw/zinc/07/91/76/1268079176.db2.gz SFDWAQOYNZZEEC-SFTDATJTSA-N 1 3 358.530 0.945 20 0 FCADHO COC[C@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC[NH2+]1 ZINC001550202445 1268090734 /nfs/dbraw/zinc/09/07/34/1268090734.db2.gz MKHHQBJSMGNCHX-KRWDZBQOSA-N 1 3 352.479 0.087 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001550980242 1268188724 /nfs/dbraw/zinc/18/87/24/1268188724.db2.gz RRMWANHGZZFFHJ-WNRNVDISSA-N 1 3 366.506 0.527 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001550980242 1268188728 /nfs/dbraw/zinc/18/87/28/1268188728.db2.gz RRMWANHGZZFFHJ-WNRNVDISSA-N 1 3 366.506 0.527 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156009 1268209401 /nfs/dbraw/zinc/20/94/01/1268209401.db2.gz ACOIKYDZHSZPND-ISXWCOSWSA-N 1 3 351.491 0.999 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156009 1268209407 /nfs/dbraw/zinc/20/94/07/1268209407.db2.gz ACOIKYDZHSZPND-ISXWCOSWSA-N 1 3 351.491 0.999 20 0 FCADHO O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001551468857 1268257822 /nfs/dbraw/zinc/25/78/22/1268257822.db2.gz UUBGDTZCKJHCTF-OALUTQOASA-N 1 3 373.501 0.052 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)nc1 ZINC001552203435 1268409718 /nfs/dbraw/zinc/40/97/18/1268409718.db2.gz BNHKNWVXCCAGPU-VQIMIIECSA-N 1 3 359.474 0.028 20 0 FCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CCN([C@@H]3CCOC3)CC2)cnn1C ZINC001552215124 1268412129 /nfs/dbraw/zinc/41/21/29/1268412129.db2.gz CDHOJRXLAHGJHC-BPQIPLTHSA-N 1 3 361.490 0.401 20 0 FCADHO O=C(N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001552224105 1268415507 /nfs/dbraw/zinc/41/55/07/1268415507.db2.gz TYBWCRACPFKBGF-BRSBDYLESA-N 1 3 366.506 0.527 20 0 FCADHO O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001552224105 1268415514 /nfs/dbraw/zinc/41/55/14/1268415514.db2.gz TYBWCRACPFKBGF-BRSBDYLESA-N 1 3 366.506 0.527 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC001552250959 1268421282 /nfs/dbraw/zinc/42/12/82/1268421282.db2.gz DYDYXGCYBADZTL-ROUUACIJSA-N 1 3 358.486 0.564 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC001552250959 1268421284 /nfs/dbraw/zinc/42/12/84/1268421284.db2.gz DYDYXGCYBADZTL-ROUUACIJSA-N 1 3 358.486 0.564 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001552304033 1268435295 /nfs/dbraw/zinc/43/52/95/1268435295.db2.gz YSGQQPPUKIGMQR-MJGOQNOKSA-N 1 3 358.486 0.912 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC001552304033 1268435298 /nfs/dbraw/zinc/43/52/98/1268435298.db2.gz YSGQQPPUKIGMQR-MJGOQNOKSA-N 1 3 358.486 0.912 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111434 1268438988 /nfs/dbraw/zinc/43/89/88/1268438988.db2.gz CAWGPQRNYZRSDH-PZJWPPBQSA-N 1 3 374.529 0.986 20 0 FCADHO O=C(C[C@]1(O)CCC[NH2+]C1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001340248483 1268485780 /nfs/dbraw/zinc/48/57/80/1268485780.db2.gz INXXNDVRPHNPFM-OAQYLSRUSA-N 1 3 374.529 0.815 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552693344 1268521639 /nfs/dbraw/zinc/52/16/39/1268521639.db2.gz AIGMCHRUVLJIOE-INMHGKMJSA-N 1 3 363.510 0.476 20 0 FCADHO COCCN1CCC(NC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552692975 1268522121 /nfs/dbraw/zinc/52/21/21/1268522121.db2.gz DBQFMKHDOMANCW-HOCLYGCPSA-N 1 3 350.467 0.561 20 0 FCADHO CN1CC[C@@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368418 1268639499 /nfs/dbraw/zinc/63/94/99/1268639499.db2.gz GSMLDZOJIHQKEZ-FXAWDEMLSA-N 1 3 364.534 0.679 20 0 FCADHO Cc1c(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)nnn1[C@@H]1CC[NH2+]C1 ZINC001554047354 1268748504 /nfs/dbraw/zinc/74/85/04/1268748504.db2.gz UCEQGMKCOSPHLM-CYBMUJFWSA-N 1 3 367.417 0.617 20 0 FCADHO COc1cccc2c1CC[C@]2([NH3+])C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC001341716971 1269166988 /nfs/dbraw/zinc/16/69/88/1269166988.db2.gz LZAHXGLFORYAIF-FOIQADDNSA-N 1 3 359.470 0.976 20 0 FCADHO COc1cccc2c1CC[C@]2(N)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001341716971 1269166994 /nfs/dbraw/zinc/16/69/94/1269166994.db2.gz LZAHXGLFORYAIF-FOIQADDNSA-N 1 3 359.470 0.976 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925172 1269520899 /nfs/dbraw/zinc/52/08/99/1269520899.db2.gz WACDNVYCXHIHCN-HYVNUMGLSA-N 1 3 363.506 0.823 20 0 FCADHO CCN(CCN[C@@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743963 1269747506 /nfs/dbraw/zinc/74/75/06/1269747506.db2.gz WBAIOPGIHHNXCD-GZBFAFLISA-N 1 3 367.494 0.141 20 0 FCADHO CCN(CCN[C@@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568743963 1269747509 /nfs/dbraw/zinc/74/75/09/1269747509.db2.gz WBAIOPGIHHNXCD-GZBFAFLISA-N 1 3 367.494 0.141 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2O)CCC1 ZINC001572826581 1270203205 /nfs/dbraw/zinc/20/32/05/1270203205.db2.gz IUINGAXASHSBMO-HUUCEWRRSA-N 1 3 368.522 0.137 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2O)CCC1 ZINC001572826581 1270203208 /nfs/dbraw/zinc/20/32/08/1270203208.db2.gz IUINGAXASHSBMO-HUUCEWRRSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596082 1271395473 /nfs/dbraw/zinc/39/54/73/1271395473.db2.gz HVTDGTFZHVVAGB-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596082 1271395479 /nfs/dbraw/zinc/39/54/79/1271395479.db2.gz HVTDGTFZHVVAGB-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596082 1271395485 /nfs/dbraw/zinc/39/54/85/1271395485.db2.gz HVTDGTFZHVVAGB-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596082 1271395489 /nfs/dbraw/zinc/39/54/89/1271395489.db2.gz HVTDGTFZHVVAGB-BBRMVZONSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786631 1271519576 /nfs/dbraw/zinc/51/95/76/1271519576.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786631 1271519579 /nfs/dbraw/zinc/51/95/79/1271519579.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574786631 1271519584 /nfs/dbraw/zinc/51/95/84/1271519584.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574786631 1271519589 /nfs/dbraw/zinc/51/95/89/1271519589.db2.gz WCAGBUHGOOAXFB-DZGCQCFKSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874882 1271628579 /nfs/dbraw/zinc/62/85/79/1271628579.db2.gz FLCRIKMSTRPCOM-NWDGAFQWSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574874882 1271628589 /nfs/dbraw/zinc/62/85/89/1271628589.db2.gz FLCRIKMSTRPCOM-NWDGAFQWSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574886650 1271647017 /nfs/dbraw/zinc/64/70/17/1271647017.db2.gz NQNSCAOUCQBSJY-CXAGYDPISA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574886650 1271647027 /nfs/dbraw/zinc/64/70/27/1271647027.db2.gz NQNSCAOUCQBSJY-CXAGYDPISA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574889673 1271651871 /nfs/dbraw/zinc/65/18/71/1271651871.db2.gz XSLAJRZCIOUFAL-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574889673 1271651875 /nfs/dbraw/zinc/65/18/75/1271651875.db2.gz XSLAJRZCIOUFAL-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](C(=O)N1CCCC1)N1CCN(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001575057627 1271701698 /nfs/dbraw/zinc/70/16/98/1271701698.db2.gz SMHIQIWIHRBCFP-IAZCMVOBSA-N 1 3 350.507 0.260 20 0 FCADHO CC(C)(C)OC(=O)COCCOCCN[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC001575160602 1271758307 /nfs/dbraw/zinc/75/83/07/1271758307.db2.gz OKUBCIKBNMJZKN-CABCVRRESA-N 1 3 358.479 0.847 20 0 FCADHO CC(C)(C)OC(=O)COCCOCC[NH2+][C@H]1C[C@@H](N)C12CCOCC2 ZINC001575160602 1271758318 /nfs/dbraw/zinc/75/83/18/1271758318.db2.gz OKUBCIKBNMJZKN-CABCVRRESA-N 1 3 358.479 0.847 20 0 FCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575383283 1272025681 /nfs/dbraw/zinc/02/56/81/1272025681.db2.gz DZKTXJSWGLGRGD-VXGBXAGGSA-N 1 3 363.441 0.940 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)NCc3c[nH]nn3)C2)CC1 ZINC001575701684 1272320312 /nfs/dbraw/zinc/32/03/12/1272320312.db2.gz FQOCJGWGFXCTKR-WMLDXEAASA-N 1 3 364.494 0.631 20 0 FCADHO CC1CCN(CC(=O)NC2(C[NH2+]CCc3cn[nH]n3)CCOCC2)CC1 ZINC001576105465 1272889722 /nfs/dbraw/zinc/88/97/22/1272889722.db2.gz VBNXZYUZXCCQOD-UHFFFAOYSA-N 1 3 364.494 0.334 20 0 FCADHO CC1CCN(CC(=O)NC2(C[NH2+]CCc3c[nH]nn3)CCOCC2)CC1 ZINC001576105465 1272889735 /nfs/dbraw/zinc/88/97/35/1272889735.db2.gz VBNXZYUZXCCQOD-UHFFFAOYSA-N 1 3 364.494 0.334 20 0 FCADHO CN(CCc1ccccc1)CC(=O)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576848395 1273794187 /nfs/dbraw/zinc/79/41/87/1273794187.db2.gz ZEPMCJZJIFQFAX-SFHVURJKSA-N 1 3 356.474 0.712 20 0 FCADHO CN(CCc1ccccc1)CC(=O)N1CC[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576848395 1273794195 /nfs/dbraw/zinc/79/41/95/1273794195.db2.gz ZEPMCJZJIFQFAX-SFHVURJKSA-N 1 3 356.474 0.712 20 0 FCADHO CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577633734 1274621533 /nfs/dbraw/zinc/62/15/33/1274621533.db2.gz IEKOZMXUQNCPDY-ROUUACIJSA-N 1 3 358.486 0.978 20 0 FCADHO CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@@H]1C ZINC001577760600 1274843474 /nfs/dbraw/zinc/84/34/74/1274843474.db2.gz YRHUUTWIPICRNE-SOUVJXGZSA-N 1 3 363.510 0.887 20 0 FCADHO CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577770667 1274855461 /nfs/dbraw/zinc/85/54/61/1274855461.db2.gz MYAFKHOOOKOVGT-DEYYWGMASA-N 1 3 361.494 0.438 20 0 FCADHO CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCCN1CCN(CC)CC1 ZINC001578144069 1275443543 /nfs/dbraw/zinc/44/35/43/1275443543.db2.gz ADBOOKDESDVXAQ-MRXNPFEDSA-N 1 3 365.526 0.380 20 0 FCADHO C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1CNCCO1 ZINC001578416776 1275786248 /nfs/dbraw/zinc/78/62/48/1275786248.db2.gz BTGMZNIUMRVKSC-HNNXBMFYSA-N 1 3 351.451 0.200 20 0 FCADHO CN(C)CCSc1nc(CC(=O)NC[C@@H]2C[NH2+]CCCO2)cs1 ZINC001578418805 1275787143 /nfs/dbraw/zinc/78/71/43/1275787143.db2.gz GHHRBIQYNPCYND-ZDUSSCGKSA-N 1 3 358.533 0.834 20 0 FCADHO CN(CCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCO3)CC1)Cc1ccccc1 ZINC001578471696 1275885117 /nfs/dbraw/zinc/88/51/17/1275885117.db2.gz HZACIWXNAYDUQT-PZJWPPBQSA-N 1 3 372.513 0.641 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001578971075 1276516042 /nfs/dbraw/zinc/51/60/42/1276516042.db2.gz SLTCOWAZUHDMFW-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001578971075 1276516050 /nfs/dbraw/zinc/51/60/50/1276516050.db2.gz SLTCOWAZUHDMFW-INIZCTEOSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001578979280 1276539284 /nfs/dbraw/zinc/53/92/84/1276539284.db2.gz YSGSCORRIWENHC-UHFFFAOYSA-N 1 3 357.462 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325691 1277146612 /nfs/dbraw/zinc/14/66/12/1277146612.db2.gz FGWOPKCOLTVPIQ-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325691 1277146615 /nfs/dbraw/zinc/14/66/15/1277146615.db2.gz FGWOPKCOLTVPIQ-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325692 1277147894 /nfs/dbraw/zinc/14/78/94/1277147894.db2.gz FGWOPKCOLTVPIQ-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325692 1277147896 /nfs/dbraw/zinc/14/78/96/1277147896.db2.gz FGWOPKCOLTVPIQ-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326969 1277152880 /nfs/dbraw/zinc/15/28/80/1277152880.db2.gz NJHOPNUITNHSMT-HOCLYGCPSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326969 1277152882 /nfs/dbraw/zinc/15/28/82/1277152882.db2.gz NJHOPNUITNHSMT-HOCLYGCPSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326969 1277152883 /nfs/dbraw/zinc/15/28/83/1277152883.db2.gz NJHOPNUITNHSMT-HOCLYGCPSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326969 1277152885 /nfs/dbraw/zinc/15/28/85/1277152885.db2.gz NJHOPNUITNHSMT-HOCLYGCPSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327377 1277154347 /nfs/dbraw/zinc/15/43/47/1277154347.db2.gz RLSRFIHDTBWSDC-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327377 1277154352 /nfs/dbraw/zinc/15/43/52/1277154352.db2.gz RLSRFIHDTBWSDC-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327377 1277154353 /nfs/dbraw/zinc/15/43/53/1277154353.db2.gz RLSRFIHDTBWSDC-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327377 1277154355 /nfs/dbraw/zinc/15/43/55/1277154355.db2.gz RLSRFIHDTBWSDC-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327924 1277158044 /nfs/dbraw/zinc/15/80/44/1277158044.db2.gz ZHAXXRRGPHBTDX-JKSUJKDBSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327924 1277158048 /nfs/dbraw/zinc/15/80/48/1277158048.db2.gz ZHAXXRRGPHBTDX-JKSUJKDBSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579334937 1277173233 /nfs/dbraw/zinc/17/32/33/1277173233.db2.gz JVAPRRDCQJKDQX-SIWZUTFBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579334937 1277173235 /nfs/dbraw/zinc/17/32/35/1277173235.db2.gz JVAPRRDCQJKDQX-SIWZUTFBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579334937 1277173238 /nfs/dbraw/zinc/17/32/38/1277173238.db2.gz JVAPRRDCQJKDQX-SIWZUTFBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579334937 1277173239 /nfs/dbraw/zinc/17/32/39/1277173239.db2.gz JVAPRRDCQJKDQX-SIWZUTFBSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339769 1277183752 /nfs/dbraw/zinc/18/37/52/1277183752.db2.gz LYJDMTSEHGKJHO-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339769 1277183753 /nfs/dbraw/zinc/18/37/53/1277183753.db2.gz LYJDMTSEHGKJHO-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339769 1277183754 /nfs/dbraw/zinc/18/37/54/1277183754.db2.gz LYJDMTSEHGKJHO-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339769 1277183755 /nfs/dbraw/zinc/18/37/55/1277183755.db2.gz LYJDMTSEHGKJHO-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580027565 1277995349 /nfs/dbraw/zinc/99/53/49/1277995349.db2.gz DSBOFLZOXPVDNM-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580027565 1277995354 /nfs/dbraw/zinc/99/53/54/1277995354.db2.gz DSBOFLZOXPVDNM-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580027565 1277995357 /nfs/dbraw/zinc/99/53/57/1277995357.db2.gz DSBOFLZOXPVDNM-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580027565 1277995361 /nfs/dbraw/zinc/99/53/61/1277995361.db2.gz DSBOFLZOXPVDNM-GXTWGEPZSA-N 1 3 373.461 0.421 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580279725 1278076665 /nfs/dbraw/zinc/07/66/65/1278076665.db2.gz FHJCQDBXUPIEDA-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580279725 1278076669 /nfs/dbraw/zinc/07/66/69/1278076669.db2.gz FHJCQDBXUPIEDA-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580279725 1278076681 /nfs/dbraw/zinc/07/66/81/1278076681.db2.gz FHJCQDBXUPIEDA-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580279725 1278076695 /nfs/dbraw/zinc/07/66/95/1278076695.db2.gz FHJCQDBXUPIEDA-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580279726 1278077520 /nfs/dbraw/zinc/07/75/20/1278077520.db2.gz FHJCQDBXUPIEDA-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580279726 1278077528 /nfs/dbraw/zinc/07/75/28/1278077528.db2.gz FHJCQDBXUPIEDA-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580279726 1278077540 /nfs/dbraw/zinc/07/75/40/1278077540.db2.gz FHJCQDBXUPIEDA-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580279726 1278077550 /nfs/dbraw/zinc/07/75/50/1278077550.db2.gz FHJCQDBXUPIEDA-UONOGXRCSA-N 1 3 357.462 0.803 20 0 FCADHO Cc1cc(NC2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998913 1279214157 /nfs/dbraw/zinc/21/41/57/1279214157.db2.gz UQNRIBFXBWBNEF-HNNXBMFYSA-N 1 3 372.477 0.639 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC001639386810 1282785520 /nfs/dbraw/zinc/78/55/20/1282785520.db2.gz RZAVDJDTJAXZPC-JKSUJKDBSA-N 1 3 352.479 0.038 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC001639386810 1282785527 /nfs/dbraw/zinc/78/55/27/1282785527.db2.gz RZAVDJDTJAXZPC-JKSUJKDBSA-N 1 3 352.479 0.038 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001682287311 1283556538 /nfs/dbraw/zinc/55/65/38/1283556538.db2.gz ZEFILOMHRPFULD-YESZJQIVSA-N 1 3 362.518 0.729 20 0 FCADHO CC[NH+](CC)CCOCC[NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001590689397 1283731748 /nfs/dbraw/zinc/73/17/48/1283731748.db2.gz ABJATFAJECMAMX-UHFFFAOYSA-N 1 3 359.438 0.357 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175098 1284263604 /nfs/dbraw/zinc/26/36/04/1284263604.db2.gz GRKZYEFIWHVZSZ-SFAKSCPVSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175098 1284263615 /nfs/dbraw/zinc/26/36/15/1284263615.db2.gz GRKZYEFIWHVZSZ-SFAKSCPVSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001591175952 1284265083 /nfs/dbraw/zinc/26/50/83/1284265083.db2.gz AHODPUPLNZKFFU-BMFZPTHFSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001591175952 1284265092 /nfs/dbraw/zinc/26/50/92/1284265092.db2.gz AHODPUPLNZKFFU-BMFZPTHFSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001591175952 1284265100 /nfs/dbraw/zinc/26/51/00/1284265100.db2.gz AHODPUPLNZKFFU-BMFZPTHFSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001591175952 1284265111 /nfs/dbraw/zinc/26/51/11/1284265111.db2.gz AHODPUPLNZKFFU-BMFZPTHFSA-N 1 3 369.473 0.945 20 0 FCADHO [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592743544 1285663299 /nfs/dbraw/zinc/66/32/99/1285663299.db2.gz CSHIPBCSUWNCCZ-UHFFFAOYSA-N 1 3 373.870 0.208 20 0 FCADHO [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592743544 1285663305 /nfs/dbraw/zinc/66/33/05/1285663305.db2.gz CSHIPBCSUWNCCZ-UHFFFAOYSA-N 1 3 373.870 0.208 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001703958984 1286167238 /nfs/dbraw/zinc/16/72/38/1286167238.db2.gz NGPFKPPBPIEFHR-OWCLPIDISA-N 1 3 361.490 0.956 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001703958984 1286167240 /nfs/dbraw/zinc/16/72/40/1286167240.db2.gz NGPFKPPBPIEFHR-OWCLPIDISA-N 1 3 361.490 0.956 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CN(C)C3CCC3)CC2)CC[N@@H+]1C ZINC001720401426 1288229764 /nfs/dbraw/zinc/22/97/64/1288229764.db2.gz QNQBJOFTKXDXHB-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CN(C)C3CCC3)CC2)CC[N@H+]1C ZINC001720401426 1288229768 /nfs/dbraw/zinc/22/97/68/1288229768.db2.gz QNQBJOFTKXDXHB-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCNC(=O)CN(C)C2CCC2)C2CC2)CC[N@@H+]1C ZINC001721234170 1288317379 /nfs/dbraw/zinc/31/73/79/1288317379.db2.gz GGDSRJGLTPUMHZ-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCNC(=O)CN(C)C2CCC2)C2CC2)CC[N@H+]1C ZINC001721234170 1288317387 /nfs/dbraw/zinc/31/73/87/1288317387.db2.gz GGDSRJGLTPUMHZ-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001731444434 1288557085 /nfs/dbraw/zinc/55/70/85/1288557085.db2.gz RODLALRVJNVORD-FDYHWXHSSA-N 1 3 351.476 0.659 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001731444434 1288557091 /nfs/dbraw/zinc/55/70/91/1288557091.db2.gz RODLALRVJNVORD-FDYHWXHSSA-N 1 3 351.476 0.659 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001735893965 1289001483 /nfs/dbraw/zinc/00/14/83/1289001483.db2.gz KIFZHITVQIJHNF-VQHPVUNQSA-N 1 3 370.538 0.501 20 0 FCADHO CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080520 1289385456 /nfs/dbraw/zinc/38/54/56/1289385456.db2.gz GFOWTSOWCGEMPZ-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080520 1289385460 /nfs/dbraw/zinc/38/54/60/1289385460.db2.gz GFOWTSOWCGEMPZ-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001692084026 1289391135 /nfs/dbraw/zinc/39/11/35/1289391135.db2.gz RPCQMFPWLZNUHD-RDBSUJKOSA-N 1 3 355.483 0.128 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCOCCOC ZINC001692182205 1289420121 /nfs/dbraw/zinc/42/01/21/1289420121.db2.gz AGLWKWGURXTOGS-OKZBNKHCSA-N 1 3 353.507 0.960 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001753130705 1290620726 /nfs/dbraw/zinc/62/07/26/1290620726.db2.gz XXTMUBHFFOXLQQ-YESZJQIVSA-N 1 3 367.538 0.862 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001753130705 1290620736 /nfs/dbraw/zinc/62/07/36/1290620736.db2.gz XXTMUBHFFOXLQQ-YESZJQIVSA-N 1 3 367.538 0.862 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@H]1CCCN(CCCO)C1 ZINC001685620099 1292575026 /nfs/dbraw/zinc/57/50/26/1292575026.db2.gz USZYFSXVYVNSKF-KSZLIROESA-N 1 3 368.522 0.510 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001688979604 1294557470 /nfs/dbraw/zinc/55/74/70/1294557470.db2.gz COCDCSMJLDLWRH-ARFHVFGLSA-N 1 3 359.536 0.778 20 0 FCADHO C[C@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1)CS(C)(=O)=O ZINC001689100008 1294617046 /nfs/dbraw/zinc/61/70/46/1294617046.db2.gz NQPYLKRIEGTCLM-FMKPAKJESA-N 1 3 370.519 0.850 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)C1 ZINC001689231413 1294687805 /nfs/dbraw/zinc/68/78/05/1294687805.db2.gz DZXWVPKKUWDUDS-JQHSSLGASA-N 1 3 362.518 0.635 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)C1 ZINC001689231413 1294687821 /nfs/dbraw/zinc/68/78/21/1294687821.db2.gz DZXWVPKKUWDUDS-JQHSSLGASA-N 1 3 362.518 0.635 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236420 1294697014 /nfs/dbraw/zinc/69/70/14/1294697014.db2.gz DILHUWGNFLKLNZ-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236420 1294697023 /nfs/dbraw/zinc/69/70/23/1294697023.db2.gz DILHUWGNFLKLNZ-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740762 720821243 /nfs/dbraw/zinc/82/12/43/720821243.db2.gz LFFARPWMSNMCMM-RYQLBKOJSA-N 1 3 368.489 0.906 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740762 720821246 /nfs/dbraw/zinc/82/12/46/720821246.db2.gz LFFARPWMSNMCMM-RYQLBKOJSA-N 1 3 368.489 0.906 20 0 FCADHO Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164766404 721074484 /nfs/dbraw/zinc/07/44/84/721074484.db2.gz KETJVTAKDSZUGX-IAGOWNOFSA-N 1 3 367.501 0.857 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001099307718 844016115 /nfs/dbraw/zinc/01/61/15/844016115.db2.gz LDYPTIUKPNKXBA-UPJWGTAASA-N 1 3 362.400 0.597 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)cn1 ZINC001099320860 844020975 /nfs/dbraw/zinc/02/09/75/844020975.db2.gz XJEDFXLYUHZYNI-CHWSQXEVSA-N 1 3 363.384 0.030 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cccn3)C2)C1 ZINC001099341599 844033616 /nfs/dbraw/zinc/03/36/16/844033616.db2.gz KLDYMUKKKLAYKF-BFHYXJOUSA-N 1 3 359.396 0.814 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cccn3)C2)C1 ZINC001099341599 844033625 /nfs/dbraw/zinc/03/36/25/844033625.db2.gz KLDYMUKKKLAYKF-BFHYXJOUSA-N 1 3 359.396 0.814 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCCC1 ZINC000746371941 836177080 /nfs/dbraw/zinc/17/70/80/836177080.db2.gz LOSQDFUZOJDKCQ-CQSZACIVSA-N 1 3 350.467 0.374 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341204 844151606 /nfs/dbraw/zinc/15/16/06/844151606.db2.gz APDJGHWNBJMEOM-RKVPGOIHSA-N 1 3 350.507 0.585 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065409608 836838179 /nfs/dbraw/zinc/83/81/79/836838179.db2.gz LVNTZSSYPYTQDR-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065409608 836838189 /nfs/dbraw/zinc/83/81/89/836838189.db2.gz LVNTZSSYPYTQDR-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974890 844356588 /nfs/dbraw/zinc/35/65/88/844356588.db2.gz VKSLHSLRDLMROC-ZACQAIPSSA-N 1 3 355.523 0.942 20 0 FCADHO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974890 844356600 /nfs/dbraw/zinc/35/66/00/844356600.db2.gz VKSLHSLRDLMROC-ZACQAIPSSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001101982709 844361277 /nfs/dbraw/zinc/36/12/77/844361277.db2.gz FDSNOBOKJAWVBM-MUIFIZLQSA-N 1 3 350.507 0.537 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001101982709 844361286 /nfs/dbraw/zinc/36/12/86/844361286.db2.gz FDSNOBOKJAWVBM-MUIFIZLQSA-N 1 3 350.507 0.537 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102013324 844373745 /nfs/dbraw/zinc/37/37/45/844373745.db2.gz VORUFGXTYFDPOV-BZUAXINKSA-N 1 3 354.474 0.642 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102013324 844373756 /nfs/dbraw/zinc/37/37/56/844373756.db2.gz VORUFGXTYFDPOV-BZUAXINKSA-N 1 3 354.474 0.642 20 0 FCADHO CC(C)(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418455 838957992 /nfs/dbraw/zinc/95/79/92/838957992.db2.gz OXUPGZGWHMSIKX-HQWNSDKXSA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418455 838957997 /nfs/dbraw/zinc/95/79/97/838957997.db2.gz OXUPGZGWHMSIKX-HQWNSDKXSA-N 1 3 351.491 0.447 20 0 FCADHO O=C(N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013244 839294058 /nfs/dbraw/zinc/29/40/58/839294058.db2.gz YCXQQIFDSBNKBF-IXDOHACOSA-N 1 3 351.491 0.185 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190501 844440056 /nfs/dbraw/zinc/44/00/56/844440056.db2.gz ASLJIRWSRFKCPQ-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319038 844466245 /nfs/dbraw/zinc/46/62/45/844466245.db2.gz WFSQXMWWAOSYAQ-GDBMZVCRSA-N 1 3 359.536 0.447 20 0 FCADHO COCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320561 844466320 /nfs/dbraw/zinc/46/63/20/844466320.db2.gz IJKAQXDLKNCJKX-OWCLPIDISA-N 1 3 356.511 0.163 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319060 844466376 /nfs/dbraw/zinc/46/63/76/844466376.db2.gz XCWPWTUUBMUOJI-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001102380836 844482452 /nfs/dbraw/zinc/48/24/52/844482452.db2.gz ZAGPHOIBPWTHPA-OIISXLGYSA-N 1 3 356.511 0.163 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001102380836 844482454 /nfs/dbraw/zinc/48/24/54/844482454.db2.gz ZAGPHOIBPWTHPA-OIISXLGYSA-N 1 3 356.511 0.163 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475504 844516407 /nfs/dbraw/zinc/51/64/07/844516407.db2.gz REDVTSHFMBKZKC-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102475504 844516415 /nfs/dbraw/zinc/51/64/15/844516415.db2.gz REDVTSHFMBKZKC-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082557496 840463784 /nfs/dbraw/zinc/46/37/84/840463784.db2.gz JBOOOSPOHLGGBI-BZUAXINKSA-N 1 3 371.547 0.732 20 0 FCADHO CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1=O ZINC001082557579 840465284 /nfs/dbraw/zinc/46/52/84/840465284.db2.gz QARTVQCPNRPJGZ-OWCLPIDISA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520886 844550398 /nfs/dbraw/zinc/55/03/98/844550398.db2.gz GKABHWUTYOEDHW-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082919914 840602129 /nfs/dbraw/zinc/60/21/29/840602129.db2.gz KBSFMAIBGSZZJW-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082919914 840602135 /nfs/dbraw/zinc/60/21/35/840602135.db2.gz KBSFMAIBGSZZJW-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601767 844592103 /nfs/dbraw/zinc/59/21/03/844592103.db2.gz OZLYBJQRIPNJLK-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600816 844592390 /nfs/dbraw/zinc/59/23/90/844592390.db2.gz WTIPXWNYARJWHX-BRWVUGGUSA-N 1 3 359.511 0.035 20 0 FCADHO COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600816 844592398 /nfs/dbraw/zinc/59/23/98/844592398.db2.gz WTIPXWNYARJWHX-BRWVUGGUSA-N 1 3 359.511 0.035 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612602 844601010 /nfs/dbraw/zinc/60/10/10/844601010.db2.gz OWNSUWADCRROHI-ZACQAIPSSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937157 841581457 /nfs/dbraw/zinc/58/14/57/841581457.db2.gz OZIPQXZNBOUONV-NXHRZFHOSA-N 1 3 351.491 0.306 20 0 FCADHO O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937156 841582214 /nfs/dbraw/zinc/58/22/14/841582214.db2.gz OZIPQXZNBOUONV-JQHSSLGASA-N 1 3 351.491 0.306 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083750 842276306 /nfs/dbraw/zinc/27/63/06/842276306.db2.gz QUWLORZOYWCATG-IIAWOOMASA-N 1 3 367.519 0.833 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090868 842529413 /nfs/dbraw/zinc/52/94/13/842529413.db2.gz JRXNHNUFWQGQHE-UAGQMJEPSA-N 1 3 350.507 0.585 20 0 FCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211967 842562417 /nfs/dbraw/zinc/56/24/17/842562417.db2.gz IIPLVONKUXKJIS-IXDOHACOSA-N 1 3 350.507 0.907 20 0 FCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574485 842617082 /nfs/dbraw/zinc/61/70/82/842617082.db2.gz YITWDSQHEYPZGH-BGTYHANMSA-N 1 3 353.507 0.959 20 0 FCADHO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133475 843397022 /nfs/dbraw/zinc/39/70/22/843397022.db2.gz HGWWKNXNSNNCCF-OWCLPIDISA-N 1 3 369.531 0.201 20 0 FCADHO Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093195621 843405300 /nfs/dbraw/zinc/40/53/00/843405300.db2.gz SEDVHSCGWTYUKR-VNQPRFMTSA-N 1 3 366.531 0.854 20 0 FCADHO Cc1csc(=O)n1CCN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093195621 843405309 /nfs/dbraw/zinc/40/53/09/843405309.db2.gz SEDVHSCGWTYUKR-VNQPRFMTSA-N 1 3 366.531 0.854 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083619 844697436 /nfs/dbraw/zinc/69/74/36/844697436.db2.gz AIGVVTBGRKWFFO-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083619 844697440 /nfs/dbraw/zinc/69/74/40/844697440.db2.gz AIGVVTBGRKWFFO-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174723 844716399 /nfs/dbraw/zinc/71/63/99/844716399.db2.gz ZNDXKJIKPZGPPE-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174723 844716404 /nfs/dbraw/zinc/71/64/04/844716404.db2.gz ZNDXKJIKPZGPPE-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396802 844750890 /nfs/dbraw/zinc/75/08/90/844750890.db2.gz KATHQQPLNFFUKT-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)N(C)C ZINC001103407871 844751987 /nfs/dbraw/zinc/75/19/87/844751987.db2.gz YFJWPZWFANWKLC-IIDMSEBBSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)N(C)C ZINC001103407871 844752000 /nfs/dbraw/zinc/75/20/00/844752000.db2.gz YFJWPZWFANWKLC-IIDMSEBBSA-N 1 3 352.523 0.925 20 0 FCADHO C[NH+](C)CCCN1CCC2(CCN(CCN3CCOCC3)C2=O)CC1 ZINC001276610295 861497715 /nfs/dbraw/zinc/49/77/15/861497715.db2.gz OSYDNGAOZAEDOK-UHFFFAOYSA-N 1 3 352.523 0.585 20 0 FCADHO CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719193 844807670 /nfs/dbraw/zinc/80/76/70/844807670.db2.gz UNFMMQDARIDYOE-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719193 844807674 /nfs/dbraw/zinc/80/76/74/844807674.db2.gz UNFMMQDARIDYOE-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104291800 844891569 /nfs/dbraw/zinc/89/15/69/844891569.db2.gz VSMWENHYVVDCSO-DDUZABMNSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104291801 844891617 /nfs/dbraw/zinc/89/16/17/844891617.db2.gz VSMWENHYVVDCSO-SIIHOXLZSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CCNCc1nccn1C ZINC001104908482 844958957 /nfs/dbraw/zinc/95/89/57/844958957.db2.gz YPWFLKLAWGQCFK-HZPDHXFCSA-N 1 3 351.495 0.573 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106249786 845143086 /nfs/dbraw/zinc/14/30/86/845143086.db2.gz PWFOVAFYWDFPJO-UNEWFSDZSA-N 1 3 352.523 0.925 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1)N(C)C ZINC001106313273 845152556 /nfs/dbraw/zinc/15/25/56/845152556.db2.gz VFJZAHWCSCIQAZ-DJIMGWMZSA-N 1 3 356.511 0.163 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1)N(C)C ZINC001106312609 845152665 /nfs/dbraw/zinc/15/26/65/845152665.db2.gz KPAULBYYPYRYTJ-BZUAXINKSA-N 1 3 356.511 0.163 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106336521 845159307 /nfs/dbraw/zinc/15/93/07/845159307.db2.gz SBCTUVYMFFLYRZ-HUUCEWRRSA-N 1 3 361.552 0.836 20 0 FCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666254 845218639 /nfs/dbraw/zinc/21/86/39/845218639.db2.gz IBYUPSFNLOPKSH-GVDBMIGSSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666923 845220059 /nfs/dbraw/zinc/22/00/59/845220059.db2.gz ZZUCJEQASJFOOG-GVDBMIGSSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106668888 845220754 /nfs/dbraw/zinc/22/07/54/845220754.db2.gz RKOLNFZFKTWHET-HZPDHXFCSA-N 1 3 350.507 0.635 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106784347 845251961 /nfs/dbraw/zinc/25/19/61/845251961.db2.gz HWGYNRANBSESPQ-HZPDHXFCSA-N 1 3 355.527 0.720 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106783157 845252159 /nfs/dbraw/zinc/25/21/59/845252159.db2.gz IXDAJKAIDVTPIT-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(CCC(=O)OC(C)(C)C)C2)OCC1=O ZINC001276708266 861549829 /nfs/dbraw/zinc/54/98/29/861549829.db2.gz JJXULPXDZMFKLN-SFHVURJKSA-N 1 3 355.479 0.583 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040639 845316722 /nfs/dbraw/zinc/31/67/22/845316722.db2.gz KPILJJTZQLCHBG-NVXWUHKLSA-N 1 3 356.511 0.163 20 0 FCADHO CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042336 845317105 /nfs/dbraw/zinc/31/71/05/845317105.db2.gz IAIOHYWYARNEEE-HZPDHXFCSA-N 1 3 361.552 0.836 20 0 FCADHO COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042661 845318286 /nfs/dbraw/zinc/31/82/86/845318286.db2.gz XBGRHOVUDZYWBR-BRWVUGGUSA-N 1 3 359.511 0.035 20 0 FCADHO CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852278 861654119 /nfs/dbraw/zinc/65/41/19/861654119.db2.gz PJGWFQKCBQANOL-IEBWSBKVSA-N 1 3 352.523 0.726 20 0 FCADHO CC(C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276848883 861652642 /nfs/dbraw/zinc/65/26/42/861652642.db2.gz LCTZWAPCVYVCLU-IBGZPJMESA-N 1 3 352.523 0.583 20 0 FCADHO CC(C)[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276848883 861652644 /nfs/dbraw/zinc/65/26/44/861652644.db2.gz LCTZWAPCVYVCLU-IBGZPJMESA-N 1 3 352.523 0.583 20 0 FCADHO CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852278 861654107 /nfs/dbraw/zinc/65/41/07/861654107.db2.gz PJGWFQKCBQANOL-IEBWSBKVSA-N 1 3 352.523 0.726 20 0 FCADHO CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852279 861654326 /nfs/dbraw/zinc/65/43/26/861654326.db2.gz PJGWFQKCBQANOL-MJGOQNOKSA-N 1 3 352.523 0.726 20 0 FCADHO CC[C@@H](C)[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852279 861654334 /nfs/dbraw/zinc/65/43/34/861654334.db2.gz PJGWFQKCBQANOL-MJGOQNOKSA-N 1 3 352.523 0.726 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111910304 846257366 /nfs/dbraw/zinc/25/73/66/846257366.db2.gz SVAKSBYXUROOIT-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111910304 846257377 /nfs/dbraw/zinc/25/73/77/846257377.db2.gz SVAKSBYXUROOIT-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO COC[C@H](O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157988 846424218 /nfs/dbraw/zinc/42/42/18/846424218.db2.gz NJXIWWQBKHESFA-MGPQQGTHSA-N 1 3 367.412 0.314 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112166238 846429584 /nfs/dbraw/zinc/42/95/84/846429584.db2.gz KVTKDDBGMJTXTF-BFHYXJOUSA-N 1 3 367.412 0.316 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112166238 846429588 /nfs/dbraw/zinc/42/95/88/846429588.db2.gz KVTKDDBGMJTXTF-BFHYXJOUSA-N 1 3 367.412 0.316 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112196416 846455261 /nfs/dbraw/zinc/45/52/61/846455261.db2.gz IJOYLTDJBWZFPZ-ZIAGYGMSSA-N 1 3 369.428 0.706 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112196416 846455267 /nfs/dbraw/zinc/45/52/67/846455267.db2.gz IJOYLTDJBWZFPZ-ZIAGYGMSSA-N 1 3 369.428 0.706 20 0 FCADHO CCN(CC)C(=O)CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276913471 861683688 /nfs/dbraw/zinc/68/36/88/861683688.db2.gz CSSOZMNZKYMUDO-GOSISDBHSA-N 1 3 352.479 0.258 20 0 FCADHO CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401790 846501810 /nfs/dbraw/zinc/50/18/10/846501810.db2.gz YGWJOKSTKPLFGG-VCBZYWHSSA-N 1 3 350.507 0.824 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529472 846516412 /nfs/dbraw/zinc/51/64/12/846516412.db2.gz AQZRGRCIRRLIRF-GJYPPUQNSA-N 1 3 350.507 0.683 20 0 FCADHO C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958798 861703670 /nfs/dbraw/zinc/70/36/70/861703670.db2.gz APYUCGOELTTXLQ-IEBWSBKVSA-N 1 3 352.523 0.462 20 0 FCADHO C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958798 861703675 /nfs/dbraw/zinc/70/36/75/861703675.db2.gz APYUCGOELTTXLQ-IEBWSBKVSA-N 1 3 352.523 0.462 20 0 FCADHO C[C@@H](O)C[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276960957 861708842 /nfs/dbraw/zinc/70/88/42/861708842.db2.gz XFUOEJBXMMZEAE-QGZVFWFLSA-N 1 3 352.523 0.319 20 0 FCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001119310320 847808069 /nfs/dbraw/zinc/80/80/69/847808069.db2.gz YKWXOELVGGPDOU-PBHICJAKSA-N 1 3 352.479 0.086 20 0 FCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001119352876 847819776 /nfs/dbraw/zinc/81/97/76/847819776.db2.gz FYIQYJQWXGFZFS-GJZGRUSLSA-N 1 3 368.547 0.802 20 0 FCADHO C[C@@H](C1CC1)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127644068 848730311 /nfs/dbraw/zinc/73/03/11/848730311.db2.gz SYZBTIXVAOFMNF-JJRVBVJISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C1CC1)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127644068 848730316 /nfs/dbraw/zinc/73/03/16/848730316.db2.gz SYZBTIXVAOFMNF-JJRVBVJISA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001127705347 848733500 /nfs/dbraw/zinc/73/35/00/848733500.db2.gz ARGKSSSAYABAED-GRYCIOLGSA-N 1 3 352.401 0.490 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001127705347 848733505 /nfs/dbraw/zinc/73/35/05/848733505.db2.gz ARGKSSSAYABAED-GRYCIOLGSA-N 1 3 352.401 0.490 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCc2ccco2)CC[N@@H+]1C ZINC001127707265 848734057 /nfs/dbraw/zinc/73/40/57/848734057.db2.gz XPNKUSHVFQPWPM-VNQPRFMTSA-N 1 3 350.463 0.720 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NCc2ccco2)CC[N@H+]1C ZINC001127707265 848734064 /nfs/dbraw/zinc/73/40/64/848734064.db2.gz XPNKUSHVFQPWPM-VNQPRFMTSA-N 1 3 350.463 0.720 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129884044 848907982 /nfs/dbraw/zinc/90/79/82/848907982.db2.gz IAERAYMFPZIHOK-PMPSAXMXSA-N 1 3 352.458 0.854 20 0 FCADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894904 848909584 /nfs/dbraw/zinc/90/95/84/848909584.db2.gz XITKASJZIUDBAI-ZNMIVQPWSA-N 1 3 352.458 0.852 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001130622154 849021019 /nfs/dbraw/zinc/02/10/19/849021019.db2.gz TXTGNTZFWYQLGL-OFQRWUPVSA-N 1 3 351.495 0.415 20 0 FCADHO CN(CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)CC(C)(C)C ZINC001130671942 849026293 /nfs/dbraw/zinc/02/62/93/849026293.db2.gz DIJBQUDORZQZRP-GOEBONIOSA-N 1 3 351.495 0.274 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131596975 849128733 /nfs/dbraw/zinc/12/87/33/849128733.db2.gz DTSLHQZMNDCLHW-QAPCUYQASA-N 1 3 354.495 0.060 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716152 849988110 /nfs/dbraw/zinc/98/81/10/849988110.db2.gz LKRHKEMBHCBBKU-HZPDHXFCSA-N 1 3 352.504 0.531 20 0 FCADHO COC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157922344 850004884 /nfs/dbraw/zinc/00/48/84/850004884.db2.gz LWXVSDSMRPGCQI-PMPSAXMXSA-N 1 3 354.495 0.461 20 0 FCADHO O=C(N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157923547 850004915 /nfs/dbraw/zinc/00/49/15/850004915.db2.gz FFCHDQXHZVXSQX-HBJVGIJOSA-N 1 3 353.360 0.439 20 0 FCADHO O=C(c1csc([C@@H]2CCCN2)n1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120257 850020155 /nfs/dbraw/zinc/02/01/55/850020155.db2.gz MPKKZJYCZSTRCR-GTNSWQLSSA-N 1 3 361.471 0.119 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158420880 850048560 /nfs/dbraw/zinc/04/85/60/850048560.db2.gz ACHNWVAYPVZNMJ-AICCOOGYSA-N 1 3 356.536 0.561 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422296 850049309 /nfs/dbraw/zinc/04/93/09/850049309.db2.gz JVLMLRDBNBEYLI-RFQIPJPRSA-N 1 3 374.576 0.268 20 0 FCADHO CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158960150 850087011 /nfs/dbraw/zinc/08/70/11/850087011.db2.gz WLAZJTAAFFDILF-ZDUSSCGKSA-N 1 3 351.451 0.496 20 0 FCADHO [NH3+]CCCNCC(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159857084 850141166 /nfs/dbraw/zinc/14/11/66/850141166.db2.gz VXWDTYFIJPUAFZ-WBVHZDCISA-N 1 3 350.438 0.428 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001159999772 850149446 /nfs/dbraw/zinc/14/94/46/850149446.db2.gz SUDGLKAAHGIYDG-PMPSAXMXSA-N 1 3 374.551 0.364 20 0 FCADHO N[C@@H](C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)C1CC[NH2+]CC1 ZINC001160505449 850177797 /nfs/dbraw/zinc/17/77/97/850177797.db2.gz DVVSKSPITHERES-OAHLLOKOSA-N 1 3 353.854 0.827 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160718702 850194500 /nfs/dbraw/zinc/19/45/00/850194500.db2.gz RJQYKPVESXWQAQ-AWEZNQCLSA-N 1 3 352.479 0.527 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@@H]3CCNC[C@H]3F)C[C@H]1C2 ZINC001160795268 850198233 /nfs/dbraw/zinc/19/82/33/850198233.db2.gz VXJSKRJLUPUBLR-RWLZTCESSA-N 1 3 353.438 0.181 20 0 FCADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160823016 850200294 /nfs/dbraw/zinc/20/02/94/850200294.db2.gz BTQMOQBTVIWPKV-DZGCQCFKSA-N 1 3 351.451 0.458 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@H](N(Cc1ncn3c1C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169131733 850606625 /nfs/dbraw/zinc/60/66/25/850606625.db2.gz YJDLRPJFWLBFHE-QDMKHBRRSA-N 1 3 367.519 0.763 20 0 FCADHO COCCCN1CCC(NS(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001172243345 850708904 /nfs/dbraw/zinc/70/89/04/850708904.db2.gz HIGHVWJXRVLGRC-UHFFFAOYSA-N 1 3 355.504 0.967 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@@H]2CCC=CO2)C[C@]2(CCCC(=O)N2)C1 ZINC001278141254 862210766 /nfs/dbraw/zinc/21/07/66/862210766.db2.gz UVULKNXYEJUMFP-HKUYNNGSSA-N 1 3 350.507 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC(F)(F)F)C2)CC[N@@H+]1C ZINC001182683710 851191346 /nfs/dbraw/zinc/19/13/46/851191346.db2.gz DHQIVWHLHQFHKF-JHJVBQTASA-N 1 3 364.412 0.538 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC(F)(F)F)C2)CC[N@H+]1C ZINC001182683710 851191352 /nfs/dbraw/zinc/19/13/52/851191352.db2.gz DHQIVWHLHQFHKF-JHJVBQTASA-N 1 3 364.412 0.538 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692065 851192978 /nfs/dbraw/zinc/19/29/78/851192978.db2.gz ATIAOZCCQCABHW-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692065 851192983 /nfs/dbraw/zinc/19/29/83/851192983.db2.gz ATIAOZCCQCABHW-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO C[NH+](C)[C@H]1C[C@@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001183379722 851245414 /nfs/dbraw/zinc/24/54/14/851245414.db2.gz PBGFYIASOUMNCP-WOVMCDHWSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159944 851761360 /nfs/dbraw/zinc/76/13/60/851761360.db2.gz QXBODPZZYZVGKR-ARFHVFGLSA-N 1 3 350.507 0.776 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159944 851761366 /nfs/dbraw/zinc/76/13/66/851761366.db2.gz QXBODPZZYZVGKR-ARFHVFGLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001189312914 851778248 /nfs/dbraw/zinc/77/82/48/851778248.db2.gz YVXSDOUIWUCYGE-FGTMMUONSA-N 1 3 353.507 0.793 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001190247161 851883443 /nfs/dbraw/zinc/88/34/43/851883443.db2.gz LXGQVDYLKGWXNV-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001190247161 851883448 /nfs/dbraw/zinc/88/34/48/851883448.db2.gz LXGQVDYLKGWXNV-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001193901554 852504022 /nfs/dbraw/zinc/50/40/22/852504022.db2.gz GPNWNPXVNBEKEZ-KZNAEPCWSA-N 1 3 353.507 0.839 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001193901554 852504024 /nfs/dbraw/zinc/50/40/24/852504024.db2.gz GPNWNPXVNBEKEZ-KZNAEPCWSA-N 1 3 353.507 0.839 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199057267 853361599 /nfs/dbraw/zinc/36/15/99/853361599.db2.gz FUNKJSLFLUDCRK-KZNAEPCWSA-N 1 3 353.507 0.840 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001199370012 853413316 /nfs/dbraw/zinc/41/33/16/853413316.db2.gz GXUMJDQEFPTIMN-RCCFBDPRSA-N 1 3 353.507 0.983 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2CN(CC(C)(C)C[NH+](C)C)CC[C@@H]2C1 ZINC001207280456 853796564 /nfs/dbraw/zinc/79/65/64/853796564.db2.gz SRWSLHNGVYKGDB-IAGOWNOFSA-N 1 3 354.539 0.685 20 0 FCADHO CN(C)CC(C)(C)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001207280028 853796733 /nfs/dbraw/zinc/79/67/33/853796733.db2.gz LQSHKIFOYZQHRA-YESZJQIVSA-N 1 3 353.507 0.770 20 0 FCADHO CN(C)CC(C)(C)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001207280028 853796738 /nfs/dbraw/zinc/79/67/38/853796738.db2.gz LQSHKIFOYZQHRA-YESZJQIVSA-N 1 3 353.507 0.770 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](C[C@H]3CCCOC3)CC2)C1=O ZINC001207466151 853817374 /nfs/dbraw/zinc/81/73/74/853817374.db2.gz SPECCOXXIRGVRH-QGZVFWFLSA-N 1 3 352.523 0.583 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001208070103 853890715 /nfs/dbraw/zinc/89/07/15/853890715.db2.gz DCBYXJIXXHWYJP-JHJVBQTASA-N 1 3 364.412 0.586 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001208070103 853890718 /nfs/dbraw/zinc/89/07/18/853890718.db2.gz DCBYXJIXXHWYJP-JHJVBQTASA-N 1 3 364.412 0.586 20 0 FCADHO C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435241 853934207 /nfs/dbraw/zinc/93/42/07/853934207.db2.gz YCVLLNVOMQJKGC-BRWVUGGUSA-N 1 3 353.507 0.960 20 0 FCADHO COCCN1CCN(C)C2(CCN(C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001208610962 853960725 /nfs/dbraw/zinc/96/07/25/853960725.db2.gz SLGOTNRQUYLVSO-KRWDZBQOSA-N 1 3 352.523 0.583 20 0 FCADHO COCCN1CCN(C)C2(CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208610962 853960729 /nfs/dbraw/zinc/96/07/29/853960729.db2.gz SLGOTNRQUYLVSO-KRWDZBQOSA-N 1 3 352.523 0.583 20 0 FCADHO CO[C@@H]1CN(CCCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293581 854430254 /nfs/dbraw/zinc/43/02/54/854430254.db2.gz YEOSUVCOQOEPLR-KZNAEPCWSA-N 1 3 353.507 0.959 20 0 FCADHO COCCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495289 854500544 /nfs/dbraw/zinc/50/05/44/854500544.db2.gz BHIACQAXMAGZOY-IAGOWNOFSA-N 1 3 350.463 0.760 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213369332 854590027 /nfs/dbraw/zinc/59/00/27/854590027.db2.gz OKVSWAFNHNLCRR-KZNAEPCWSA-N 1 3 353.507 0.959 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CC1 ZINC001213728769 854739216 /nfs/dbraw/zinc/73/92/16/854739216.db2.gz RZZDDTGLJOGSHD-IXDOHACOSA-N 1 3 351.491 0.713 20 0 FCADHO CO[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730064 854739567 /nfs/dbraw/zinc/73/95/67/854739567.db2.gz CCMWVNAUUQOPCW-RBSFLKMASA-N 1 3 363.449 0.815 20 0 FCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646302 854985547 /nfs/dbraw/zinc/98/55/47/854985547.db2.gz PBIXHDLBSNPGDH-DJIMGWMZSA-N 1 3 350.507 0.681 20 0 FCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214645894 854985826 /nfs/dbraw/zinc/98/58/26/854985826.db2.gz IPMIMMFVNPEILE-DJIMGWMZSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001214847949 855022047 /nfs/dbraw/zinc/02/20/47/855022047.db2.gz ZYBOCJCNMRGIFW-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)NCC1CC1 ZINC001214889079 855028966 /nfs/dbraw/zinc/02/89/66/855028966.db2.gz GYWSYJJJAWIAKO-HYVNUMGLSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)NCC1CC1 ZINC001214889079 855028968 /nfs/dbraw/zinc/02/89/68/855028968.db2.gz GYWSYJJJAWIAKO-HYVNUMGLSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1)N(C)C ZINC001214952995 855038844 /nfs/dbraw/zinc/03/88/44/855038844.db2.gz VXEUPQGNNFGPHM-JHJVBQTASA-N 1 3 366.428 0.784 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001215423339 855112774 /nfs/dbraw/zinc/11/27/74/855112774.db2.gz HUEDGCQPJOBZDV-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536550 855126485 /nfs/dbraw/zinc/12/64/85/855126485.db2.gz RZBJAPQAIZMMBC-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCCC3)C2)C1 ZINC001215540994 855127464 /nfs/dbraw/zinc/12/74/64/855127464.db2.gz UJDFWUYYKVDSTD-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215550693 855128291 /nfs/dbraw/zinc/12/82/91/855128291.db2.gz FBZHTHBKBXPQTH-GDBMZVCRSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)N(C)C ZINC001215571267 855128889 /nfs/dbraw/zinc/12/88/89/855128889.db2.gz IADLDWPMNCVSEA-BMFZPTHFSA-N 1 3 354.495 0.058 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216053427 855166205 /nfs/dbraw/zinc/16/62/05/855166205.db2.gz MUNCTPHTTVVVAS-BFYDXBDKSA-N 1 3 350.507 0.822 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001216217090 855180729 /nfs/dbraw/zinc/18/07/29/855180729.db2.gz HFNUXSLBDWMSST-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001216217090 855180736 /nfs/dbraw/zinc/18/07/36/855180736.db2.gz HFNUXSLBDWMSST-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001216217242 855180914 /nfs/dbraw/zinc/18/09/14/855180914.db2.gz MHBWELLWVIFUEB-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001216217242 855180917 /nfs/dbraw/zinc/18/09/17/855180917.db2.gz MHBWELLWVIFUEB-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCCS(C)(=O)=O ZINC001216772563 855238372 /nfs/dbraw/zinc/23/83/72/855238372.db2.gz FUQDNPAJJRQHTD-HZPDHXFCSA-N 1 3 359.536 0.734 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216839339 855254433 /nfs/dbraw/zinc/25/44/33/855254433.db2.gz SWRFPSGSRWRNMB-NVXWUHKLSA-N 1 3 350.507 0.825 20 0 FCADHO COc1coc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1=O ZINC001216851633 855259619 /nfs/dbraw/zinc/25/96/19/855259619.db2.gz DCWAWRSFGXSLLC-UKRRQHHQSA-N 1 3 351.447 0.925 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216852425 855260189 /nfs/dbraw/zinc/26/01/89/855260189.db2.gz ZDDJUVFIWZOWCQ-HUUCEWRRSA-N 1 3 355.527 0.861 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001216964696 855271388 /nfs/dbraw/zinc/27/13/88/855271388.db2.gz GXHGYDGVTINRQF-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001216964695 855271561 /nfs/dbraw/zinc/27/15/61/855271561.db2.gz GXHGYDGVTINRQF-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H](C)C1CC[NH2+]CC1 ZINC001218002860 855389871 /nfs/dbraw/zinc/38/98/71/855389871.db2.gz MJKQQHYJSDLYKE-SNVBAGLBSA-N 1 3 352.435 0.528 20 0 FCADHO CC[NH+]1CCC(Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)CC1 ZINC001218205962 855406242 /nfs/dbraw/zinc/40/62/42/855406242.db2.gz ZWLNRGMBMKFIEJ-UHFFFAOYSA-N 1 3 352.435 0.624 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]CC1(C)C ZINC001218313042 855413709 /nfs/dbraw/zinc/41/37/09/855413709.db2.gz XYUUATNBMKSQSM-JTQLQIEISA-N 1 3 352.435 0.528 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218446381 855426870 /nfs/dbraw/zinc/42/68/70/855426870.db2.gz ACLQRZLHTWINEO-MRVPVSSYSA-N 1 3 360.361 0.137 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218471280 855428227 /nfs/dbraw/zinc/42/82/27/855428227.db2.gz FYGNLXKFWWQFCJ-OUAUKWLOSA-N 1 3 350.419 0.138 20 0 FCADHO Cc1nc(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218524484 855434404 /nfs/dbraw/zinc/43/44/04/855434404.db2.gz LOIXSQATFLXZGI-RYUDHWBXSA-N 1 3 368.869 0.824 20 0 FCADHO O=C(Nc1ncnn2c(Br)ccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218567434 855441774 /nfs/dbraw/zinc/44/17/74/855441774.db2.gz QMXIEQSMWQFKEH-YMTOWFKASA-N 1 3 365.235 0.051 20 0 FCADHO N[C@H](C(=O)Nc1ncnc2[nH]cc(Br)c21)C1CC[NH2+]CC1 ZINC001218616450 855450759 /nfs/dbraw/zinc/45/07/59/855450759.db2.gz UMGDCYFFYBTROR-JTQLQIEISA-N 1 3 353.224 0.986 20 0 FCADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634910 855746910 /nfs/dbraw/zinc/74/69/10/855746910.db2.gz KDNQDFOARNORNE-JQHSSLGASA-N 1 3 353.507 0.839 20 0 FCADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634910 855746914 /nfs/dbraw/zinc/74/69/14/855746914.db2.gz KDNQDFOARNORNE-JQHSSLGASA-N 1 3 353.507 0.839 20 0 FCADHO CN[C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834486 855837081 /nfs/dbraw/zinc/83/70/81/855837081.db2.gz QLQKWWGRAAQAGF-LLDVTBCESA-N 1 3 357.495 0.289 20 0 FCADHO Cn1cc(Br)cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1=O ZINC001219880824 855860152 /nfs/dbraw/zinc/86/01/52/855860152.db2.gz KYHVGBQKXLBIDY-YMTOWFKASA-N 1 3 355.236 0.285 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001220034608 855928602 /nfs/dbraw/zinc/92/86/02/855928602.db2.gz WTARIEISJXOMLI-PLQZLIEUSA-N 1 3 355.454 0.151 20 0 FCADHO O=C(N[C@@H]1CN(CCCCCF)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001220034608 855928604 /nfs/dbraw/zinc/92/86/04/855928604.db2.gz WTARIEISJXOMLI-PLQZLIEUSA-N 1 3 355.454 0.151 20 0 FCADHO CC1(C)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001220218682 856016644 /nfs/dbraw/zinc/01/66/44/856016644.db2.gz BNEFSJPQOQEYJH-ILXRZTDVSA-N 1 3 354.495 0.508 20 0 FCADHO COc1ccccc1C1(CNC(=O)[C@@H](N)CSCC[NH3+])CCOCC1 ZINC001220447345 856129728 /nfs/dbraw/zinc/12/97/28/856129728.db2.gz IQUFPBFKPVWBKU-HNNXBMFYSA-N 1 3 367.515 0.879 20 0 FCADHO N[C@H](CNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501764 856156263 /nfs/dbraw/zinc/15/62/63/856156263.db2.gz UDDUJHOGRXILQB-HUUCEWRRSA-N 1 3 351.472 0.217 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220806922 856310684 /nfs/dbraw/zinc/31/06/84/856310684.db2.gz MKPIOGUZIKTTFK-KURKYZTESA-N 1 3 355.523 0.821 20 0 FCADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898279 856363648 /nfs/dbraw/zinc/36/36/48/856363648.db2.gz DPDCDORMUSJMEM-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950966 856389917 /nfs/dbraw/zinc/38/99/17/856389917.db2.gz MBKXWRQEIWZJMF-DRZSPHRISA-N 1 3 368.507 0.073 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001220994610 856413581 /nfs/dbraw/zinc/41/35/81/856413581.db2.gz YWZXSJZEAKPDGO-KSZLIROESA-N 1 3 353.507 0.840 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221003726 856418099 /nfs/dbraw/zinc/41/80/99/856418099.db2.gz FJNCARSIBGLQAG-MZQPGHDOSA-N 1 3 352.504 0.776 20 0 FCADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001221006587 856419253 /nfs/dbraw/zinc/41/92/53/856419253.db2.gz JLQURXYHMIEBDO-JYJNAYRXSA-N 1 3 356.511 0.672 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028011 856429998 /nfs/dbraw/zinc/42/99/98/856429998.db2.gz BUABXPHYHRJFGL-HNNXBMFYSA-N 1 3 368.503 0.144 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(CC[NH3+])c2ccc(F)cc2)COC1(C)C ZINC001221061075 856440077 /nfs/dbraw/zinc/44/00/77/856440077.db2.gz ZMWSEHHIHASQSH-FZMZJTMJSA-N 1 3 352.410 0.428 20 0 FCADHO CCC[C@H](N)C(=O)N[C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068141 856446629 /nfs/dbraw/zinc/44/66/29/856446629.db2.gz RKSBSMQEGGAXFK-KPRKPIBOSA-N 1 3 357.495 0.532 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)N1CCCC1 ZINC001221091215 856457292 /nfs/dbraw/zinc/45/72/92/856457292.db2.gz GBLPIMHBVRQKKM-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)N1CCCC1 ZINC001221091215 856457297 /nfs/dbraw/zinc/45/72/97/856457297.db2.gz GBLPIMHBVRQKKM-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001221187962 856507107 /nfs/dbraw/zinc/50/71/07/856507107.db2.gz LHAUBDXRAAZGBK-OLZOCXBDSA-N 1 3 361.364 0.972 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221272016 856534648 /nfs/dbraw/zinc/53/46/48/856534648.db2.gz RVYFVRBZPOYISP-ILHYTBSESA-N 1 3 371.487 0.745 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221272017 856534932 /nfs/dbraw/zinc/53/49/32/856534932.db2.gz RVYFVRBZPOYISP-VHWFRIBGSA-N 1 3 371.487 0.745 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)COC1(C)C ZINC001221402301 856559195 /nfs/dbraw/zinc/55/91/95/856559195.db2.gz CJNOOBJMHCTWKT-PPWQZUPISA-N 1 3 354.495 0.534 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001226564818 857109973 /nfs/dbraw/zinc/10/99/73/857109973.db2.gz PPLHLENWWMZFDC-ARFHVFGLSA-N 1 3 356.486 0.916 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226891978 857130250 /nfs/dbraw/zinc/13/02/50/857130250.db2.gz XCTNPVMUOBPCIS-BZUAXINKSA-N 1 3 359.536 0.922 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226891978 857130253 /nfs/dbraw/zinc/13/02/53/857130253.db2.gz XCTNPVMUOBPCIS-BZUAXINKSA-N 1 3 359.536 0.922 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227057606 857139418 /nfs/dbraw/zinc/13/94/18/857139418.db2.gz WXZVOBPIZBTIRN-BZUAXINKSA-N 1 3 356.511 0.496 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229213873 857258828 /nfs/dbraw/zinc/25/88/28/857258828.db2.gz MRGUCGMGDNLEGR-BFHYXJOUSA-N 1 3 355.483 0.189 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001229868257 857290277 /nfs/dbraw/zinc/29/02/77/857290277.db2.gz FNUJHWIRYXWOEU-BZUAXINKSA-N 1 3 359.536 0.780 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229877348 857291255 /nfs/dbraw/zinc/29/12/55/857291255.db2.gz QTNHHWNVTCOUGA-HUUCEWRRSA-N 1 3 352.479 0.494 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001229940049 857293021 /nfs/dbraw/zinc/29/30/21/857293021.db2.gz UMQNZTSYIFRXMQ-BPLDGKMQSA-N 1 3 370.519 0.958 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CCC2)C1 ZINC001230137980 857306193 /nfs/dbraw/zinc/30/61/93/857306193.db2.gz AIBWYSZYEFIPKK-BRWVUGGUSA-N 1 3 350.507 0.871 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CCC2)C1 ZINC001230137980 857306201 /nfs/dbraw/zinc/30/62/01/857306201.db2.gz AIBWYSZYEFIPKK-BRWVUGGUSA-N 1 3 350.507 0.871 20 0 FCADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284542 857322825 /nfs/dbraw/zinc/32/28/25/857322825.db2.gz KBNZDSWJPXOSMW-BRWVUGGUSA-N 1 3 359.511 0.368 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001230284949 857322906 /nfs/dbraw/zinc/32/29/06/857322906.db2.gz YQAAQRALVXPDRA-BZUAXINKSA-N 1 3 359.536 0.778 20 0 FCADHO COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(Cl)c1[O-] ZINC001236310931 857439015 /nfs/dbraw/zinc/43/90/15/857439015.db2.gz BWGKBHANRXCQRU-UHFFFAOYSA-N 1 3 358.870 0.670 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2c(c1)OCO2 ZINC001238242597 857464886 /nfs/dbraw/zinc/46/48/86/857464886.db2.gz PJRHRQVJGNGGGL-LBPRGKRZSA-N 1 3 353.444 0.568 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2c(c1)OCO2 ZINC001238242597 857464891 /nfs/dbraw/zinc/46/48/91/857464891.db2.gz PJRHRQVJGNGGGL-LBPRGKRZSA-N 1 3 353.444 0.568 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cccc2nsnc21 ZINC001238239154 857465265 /nfs/dbraw/zinc/46/52/65/857465265.db2.gz CBEGLHYKQWOACQ-NSHDSACASA-N 1 3 367.500 0.844 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1OC ZINC001238241266 857465307 /nfs/dbraw/zinc/46/53/07/857465307.db2.gz JSTZFBPIDYAZQR-ZDUSSCGKSA-N 1 3 369.487 0.856 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1OC ZINC001238241266 857465310 /nfs/dbraw/zinc/46/53/10/857465310.db2.gz JSTZFBPIDYAZQR-ZDUSSCGKSA-N 1 3 369.487 0.856 20 0 FCADHO [NH3+]CCC[C@H]([N-]S(=O)(=O)[C@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238839160 857483557 /nfs/dbraw/zinc/48/35/57/857483557.db2.gz CDRCXBGSWGJBBH-GJZGRUSLSA-N 1 3 355.460 0.119 20 0 FCADHO COC(=O)c1ccc([C@@H](N)CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001238919767 857489968 /nfs/dbraw/zinc/48/99/68/857489968.db2.gz OUEHIZYHJBJOLE-HNNXBMFYSA-N 1 3 355.460 0.392 20 0 FCADHO CC(C)(C)OC(=O)CN1CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618446 857587266 /nfs/dbraw/zinc/58/72/66/857587266.db2.gz LBMWJNJXYUXZHD-IRXDYDNUSA-N 1 3 352.523 0.818 20 0 FCADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736794 857595978 /nfs/dbraw/zinc/59/59/78/857595978.db2.gz BLIFIHISFLFFCO-PNKHAZJDSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736794 857595987 /nfs/dbraw/zinc/59/59/87/857595987.db2.gz BLIFIHISFLFFCO-PNKHAZJDSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733745 857596118 /nfs/dbraw/zinc/59/61/18/857596118.db2.gz BIPSFARUDNUWQU-MTNOOBJLSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733745 857596128 /nfs/dbraw/zinc/59/61/28/857596128.db2.gz BIPSFARUDNUWQU-MTNOOBJLSA-N 1 3 351.491 0.714 20 0 FCADHO COC(=O)[C@@H](C)CN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279518435 862933356 /nfs/dbraw/zinc/93/33/56/862933356.db2.gz VKVYEKWAZGPTBV-MAUKXSAKSA-N 1 3 354.495 0.014 20 0 FCADHO CC[NH+](CC)C[C@H](O)CNCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001253213933 857872582 /nfs/dbraw/zinc/87/25/82/857872582.db2.gz OIUBHRWSKFZMRE-GOSISDBHSA-N 1 3 354.539 0.756 20 0 FCADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001279590621 862970141 /nfs/dbraw/zinc/97/01/41/862970141.db2.gz FYINNKURYFZOIJ-IBGZPJMESA-N 1 3 354.539 0.829 20 0 FCADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001279590621 862970151 /nfs/dbraw/zinc/97/01/51/862970151.db2.gz FYINNKURYFZOIJ-IBGZPJMESA-N 1 3 354.539 0.829 20 0 FCADHO CCOC(=O)CN1CCC([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001254410770 857970687 /nfs/dbraw/zinc/97/06/87/857970687.db2.gz CVILMDKBSRBJSO-UHFFFAOYSA-N 1 3 354.495 0.110 20 0 FCADHO CCOC(=O)CN1CCC([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001254410770 857970692 /nfs/dbraw/zinc/97/06/92/857970692.db2.gz CVILMDKBSRBJSO-UHFFFAOYSA-N 1 3 354.495 0.110 20 0 FCADHO CN1CCC[C@@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001254519174 857977184 /nfs/dbraw/zinc/97/71/84/857977184.db2.gz HUAXIDACKLJCHH-CQSZACIVSA-N 1 3 355.508 0.622 20 0 FCADHO CN(C)CC[N@@H+]1CCC2(CN(CC3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001279616616 862981751 /nfs/dbraw/zinc/98/17/51/862981751.db2.gz NQCJLBSBWVVVJK-UHFFFAOYSA-N 1 3 358.552 0.227 20 0 FCADHO CN(C)CC[N@H+]1CCC2(CN(CC3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001279616616 862981761 /nfs/dbraw/zinc/98/17/61/862981761.db2.gz NQCJLBSBWVVVJK-UHFFFAOYSA-N 1 3 358.552 0.227 20 0 FCADHO CS(=O)(=O)N1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681566 858095221 /nfs/dbraw/zinc/09/52/21/858095221.db2.gz WXPXRCBIFGEYTD-UHFFFAOYSA-N 1 3 359.536 0.891 20 0 FCADHO C[C@H](Cc1cccs1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001258084045 858177396 /nfs/dbraw/zinc/17/73/96/858177396.db2.gz XASABKMTNIVLJY-CQSZACIVSA-N 1 3 354.520 0.747 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCN1CCCCC1)CC[NH2+]CC2 ZINC001261526068 858579843 /nfs/dbraw/zinc/57/98/43/858579843.db2.gz XRNIYRFGTGRPPQ-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O ZINC001264564054 859386720 /nfs/dbraw/zinc/38/67/20/859386720.db2.gz CWJYMOOBYDOLQF-KGLIPLIRSA-N 1 3 355.483 0.130 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O ZINC001264564054 859386727 /nfs/dbraw/zinc/38/67/27/859386727.db2.gz CWJYMOOBYDOLQF-KGLIPLIRSA-N 1 3 355.483 0.130 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001270237433 859694800 /nfs/dbraw/zinc/69/48/00/859694800.db2.gz BVILFWJXDDBDDX-IAGOWNOFSA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001270237209 859694880 /nfs/dbraw/zinc/69/48/80/859694880.db2.gz MSHJDUKBSZHQPE-IBGZPJMESA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN(C)CCN1C)C2 ZINC001275176834 860979290 /nfs/dbraw/zinc/97/92/90/860979290.db2.gz LPYYOHSMBPWHHY-MJGOQNOKSA-N 1 3 351.539 0.108 20 0 FCADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN(C)CCN1C)C2 ZINC001275176834 860979298 /nfs/dbraw/zinc/97/92/98/860979298.db2.gz LPYYOHSMBPWHHY-MJGOQNOKSA-N 1 3 351.539 0.108 20 0 FCADHO CC(=O)[C@@H](C)N1C[C@]2(CCN(CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743684 861187733 /nfs/dbraw/zinc/18/77/33/861187733.db2.gz URFQLAUOXCTKLS-DNVCBOLYSA-N 1 3 351.491 0.999 20 0 FCADHO CC(=O)[C@H](C)N1C[C@@]2(CCN(CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743686 861187801 /nfs/dbraw/zinc/18/78/01/861187801.db2.gz URFQLAUOXCTKLS-KXBFYZLASA-N 1 3 351.491 0.999 20 0 FCADHO CC(=O)[C@@H](C)N1C[C@@]2(CCN(CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743683 861187816 /nfs/dbraw/zinc/18/78/16/861187816.db2.gz URFQLAUOXCTKLS-BEFAXECRSA-N 1 3 351.491 0.999 20 0 FCADHO COC(=O)[C@@H](C)CN1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026414 863199046 /nfs/dbraw/zinc/19/90/46/863199046.db2.gz QPECJIJOMGFSMX-DZGCQCFKSA-N 1 3 369.531 0.813 20 0 FCADHO CN1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280256192 863361973 /nfs/dbraw/zinc/36/19/73/863361973.db2.gz BOAIVKFMTXKQMN-DOTOQJQBSA-N 1 3 351.491 0.429 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257150 863364934 /nfs/dbraw/zinc/36/49/34/863364934.db2.gz GJWYJCLEYBDPTQ-BGTYHANMSA-N 1 3 351.491 0.570 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2C[C@H]3C[C@@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257150 863364944 /nfs/dbraw/zinc/36/49/44/863364944.db2.gz GJWYJCLEYBDPTQ-BGTYHANMSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN(C)CC(C)(C)C)C2)CC[N@@H+]1C ZINC001284970668 864603575 /nfs/dbraw/zinc/60/35/75/864603575.db2.gz DRODFSHTBOLNKE-GDBMZVCRSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN(C)CC(C)(C)C)C2)CC[N@H+]1C ZINC001284970668 864603580 /nfs/dbraw/zinc/60/35/80/864603580.db2.gz DRODFSHTBOLNKE-GDBMZVCRSA-N 1 3 352.523 0.879 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@](O)(C(F)F)C3)CC2)CC1 ZINC001311776089 867119985 /nfs/dbraw/zinc/11/99/85/867119985.db2.gz CGDCUZPWXLDDDN-KRWDZBQOSA-N 1 3 360.449 0.957 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001316597109 867361569 /nfs/dbraw/zinc/36/15/69/867361569.db2.gz MTHFLBDPGYYEEI-GDBMZVCRSA-N 1 3 354.495 0.058 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001316707638 867414435 /nfs/dbraw/zinc/41/44/35/867414435.db2.gz CJESHXXAHBENIA-KGLIPLIRSA-N 1 3 355.483 0.001 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326165218 870192733 /nfs/dbraw/zinc/19/27/33/870192733.db2.gz PKLXGHCBLJXQJG-UHFFFAOYSA-N 1 3 350.507 0.827 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC001326993790 870607642 /nfs/dbraw/zinc/60/76/42/870607642.db2.gz GTLAZMSNZSVRJX-UHFFFAOYSA-N 1 3 356.364 0.051 20 0 FCADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001327086565 870661037 /nfs/dbraw/zinc/66/10/37/870661037.db2.gz DNICPJVHTBGATO-HNNXBMFYSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001344214602 870771809 /nfs/dbraw/zinc/77/18/09/870771809.db2.gz YPVOECVBXWVKCG-LVQVYYBASA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001344214602 870771812 /nfs/dbraw/zinc/77/18/12/870771812.db2.gz YPVOECVBXWVKCG-LVQVYYBASA-N 1 3 350.507 0.822 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001327619557 870975736 /nfs/dbraw/zinc/97/57/36/870975736.db2.gz PXJQDCIMONKAIL-HNNXBMFYSA-N 1 3 351.495 0.452 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC001330919017 872872247 /nfs/dbraw/zinc/87/22/47/872872247.db2.gz VKKXFLRAFZZLIG-HNNXBMFYSA-N 1 3 352.479 0.087 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC001330919018 872872728 /nfs/dbraw/zinc/87/27/28/872872728.db2.gz VKKXFLRAFZZLIG-OAHLLOKOSA-N 1 3 352.479 0.087 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCSC1 ZINC001331490310 873123806 /nfs/dbraw/zinc/12/38/06/873123806.db2.gz XHZWNRUANRWXMH-GOSISDBHSA-N 1 3 368.547 0.532 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001331834422 873266516 /nfs/dbraw/zinc/26/65/16/873266516.db2.gz UESDZJXAGAJNQD-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001571040211 951664416 /nfs/dbraw/zinc/66/44/16/951664416.db2.gz OVEBFVIMVYNPMY-HNNXBMFYSA-N 1 3 367.457 0.653 20 0 FCADHO O=C(N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001571040211 951664421 /nfs/dbraw/zinc/66/44/21/951664421.db2.gz OVEBFVIMVYNPMY-HNNXBMFYSA-N 1 3 367.457 0.653 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113768 951945272 /nfs/dbraw/zinc/94/52/72/951945272.db2.gz FXCYNMVULDIFAO-HIFRSBDPSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113768 951945279 /nfs/dbraw/zinc/94/52/79/951945279.db2.gz FXCYNMVULDIFAO-HIFRSBDPSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113768 951945284 /nfs/dbraw/zinc/94/52/84/951945284.db2.gz FXCYNMVULDIFAO-HIFRSBDPSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113768 951945290 /nfs/dbraw/zinc/94/52/90/951945290.db2.gz FXCYNMVULDIFAO-HIFRSBDPSA-N 1 3 357.462 0.660 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000413670663 529608613 /nfs/dbraw/zinc/60/86/13/529608613.db2.gz YOFUBWZYWQGJOW-KFWWJZLASA-N 1 3 358.552 0.727 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000332134079 215099443 /nfs/dbraw/zinc/09/94/43/215099443.db2.gz ITLQRZOZVXLFNJ-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000332134079 215099444 /nfs/dbraw/zinc/09/94/44/215099444.db2.gz ITLQRZOZVXLFNJ-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C[C@@H]1[NH3+] ZINC000332325345 215131434 /nfs/dbraw/zinc/13/14/34/215131434.db2.gz XEIRNPHXKAJBAF-HWMZRRJGSA-N 1 3 366.506 0.140 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000332345565 215134289 /nfs/dbraw/zinc/13/42/89/215134289.db2.gz YCGXRHPOCYIJQK-NRSFXHEJSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000332345565 215134290 /nfs/dbraw/zinc/13/42/90/215134290.db2.gz YCGXRHPOCYIJQK-NRSFXHEJSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1OCC[C@@]1(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333023675 215226357 /nfs/dbraw/zinc/22/63/57/215226357.db2.gz KCGKJHBZXKGQCA-RDTXWAMCSA-N 1 3 354.495 0.384 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000333466852 215286318 /nfs/dbraw/zinc/28/63/18/215286318.db2.gz AIWNVBDUAYOMEE-VYMRPNJYSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333466852 215286321 /nfs/dbraw/zinc/28/63/21/215286321.db2.gz AIWNVBDUAYOMEE-VYMRPNJYSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)C[C@H](C)O1 ZINC000333768814 215317793 /nfs/dbraw/zinc/31/77/93/215317793.db2.gz BRTHIMKPFAIHIW-JZXOWHBKSA-N 1 3 368.522 0.896 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855637 215325614 /nfs/dbraw/zinc/32/56/14/215325614.db2.gz QVWONLPGBIOODP-IRXDYDNUSA-N 1 3 365.522 0.842 20 0 FCADHO COCCN1CCC(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000361155466 215381796 /nfs/dbraw/zinc/38/17/96/215381796.db2.gz WMJUOYSTSNRQEM-SFHVURJKSA-N 1 3 367.538 0.519 20 0 FCADHO COCCN1CCC(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000361155466 215381798 /nfs/dbraw/zinc/38/17/98/215381798.db2.gz WMJUOYSTSNRQEM-SFHVURJKSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000284751252 213211712 /nfs/dbraw/zinc/21/17/12/213211712.db2.gz IEHVOUUKRZMXKX-UHFFFAOYSA-N 1 3 358.486 0.412 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000284311413 213108897 /nfs/dbraw/zinc/10/88/97/213108897.db2.gz ZHAHGHTYNMIOJF-QGZVFWFLSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000284311413 213108900 /nfs/dbraw/zinc/10/89/00/213108900.db2.gz ZHAHGHTYNMIOJF-QGZVFWFLSA-N 1 3 358.486 0.965 20 0 FCADHO COCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367195232 216089827 /nfs/dbraw/zinc/08/98/27/216089827.db2.gz HUOVYOKJKQCTMD-IAGOWNOFSA-N 1 3 355.527 0.232 20 0 FCADHO COCCN(C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367195234 216090523 /nfs/dbraw/zinc/09/05/23/216090523.db2.gz HUOVYOKJKQCTMD-SJORKVTESA-N 1 3 355.527 0.232 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NCCCN3CC[NH2+]CC3)CC2)c1 ZINC000237718970 209356353 /nfs/dbraw/zinc/35/63/53/209356353.db2.gz JKANKHRJHDBISE-UHFFFAOYSA-N 1 3 373.545 0.919 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C)CC1 ZINC000369048123 216339640 /nfs/dbraw/zinc/33/96/40/216339640.db2.gz SJSDQJMKIVYZHP-BZSNNMDCSA-N 1 3 367.538 0.421 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C)CC1 ZINC000369048123 216339642 /nfs/dbraw/zinc/33/96/42/216339642.db2.gz SJSDQJMKIVYZHP-BZSNNMDCSA-N 1 3 367.538 0.421 20 0 FCADHO CCN(C)C(=O)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000190438996 209272765 /nfs/dbraw/zinc/27/27/65/209272765.db2.gz RFTIIOXAHZUVGP-AWEZNQCLSA-N 1 3 353.511 0.711 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1(C)C ZINC000188122945 209223359 /nfs/dbraw/zinc/22/33/59/209223359.db2.gz QJDILPBXNNZDFA-VQIMIIECSA-N 1 3 354.539 0.909 20 0 FCADHO COC(=O)/C=C1\SCC(=O)N1CCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435650 674115086 /nfs/dbraw/zinc/11/50/86/674115086.db2.gz BMCSVJAXONEILU-JXDIOVCFSA-N 1 3 353.488 0.850 20 0 FCADHO COC(=O)/C=C1\SCC(=O)N1CCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435650 674115087 /nfs/dbraw/zinc/11/50/87/674115087.db2.gz BMCSVJAXONEILU-JXDIOVCFSA-N 1 3 353.488 0.850 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000373272058 217003046 /nfs/dbraw/zinc/00/30/46/217003046.db2.gz SINAYUGPAMVCGA-MRXNPFEDSA-N 1 3 368.522 0.992 20 0 FCADHO C[NH+](C)CC1(O)CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000931487082 674117256 /nfs/dbraw/zinc/11/72/56/674117256.db2.gz QIKBLNLTJCDVQX-UHFFFAOYSA-N 1 3 357.476 0.101 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C[NH+]1CCCC1 ZINC000414732229 245317454 /nfs/dbraw/zinc/31/74/54/245317454.db2.gz IJHBIWYEOOPQGW-AWEZNQCLSA-N 1 3 360.458 0.955 20 0 FCADHO CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760191 245321238 /nfs/dbraw/zinc/32/12/38/245321238.db2.gz GONKCNDPZAWQNR-MAUKXSAKSA-N 1 3 355.479 0.475 20 0 FCADHO CCOC(=O)[C@]1(COC)CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760191 245321245 /nfs/dbraw/zinc/32/12/45/245321245.db2.gz GONKCNDPZAWQNR-MAUKXSAKSA-N 1 3 355.479 0.475 20 0 FCADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000414851458 245325707 /nfs/dbraw/zinc/32/57/07/245325707.db2.gz JKJXJPSIRJHLLQ-YOEHRIQHSA-N 1 3 362.474 0.854 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415296336 245380948 /nfs/dbraw/zinc/38/09/48/245380948.db2.gz SGDBWYKRZWRENL-OAHLLOKOSA-N 1 3 362.499 0.776 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000415323110 245385494 /nfs/dbraw/zinc/38/54/94/245385494.db2.gz SZMAAQZWMAQHJE-UHFFFAOYSA-N 1 3 373.501 0.585 20 0 FCADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000415324408 245386702 /nfs/dbraw/zinc/38/67/02/245386702.db2.gz CGVRIQCRDWNDTF-MRXNPFEDSA-N 1 3 373.501 0.942 20 0 FCADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415325373 245387691 /nfs/dbraw/zinc/38/76/91/245387691.db2.gz INUGZPNRONXBRE-INIZCTEOSA-N 1 3 360.458 0.968 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415349913 245396830 /nfs/dbraw/zinc/39/68/30/245396830.db2.gz FBLWTXBENZACLC-MRXNPFEDSA-N 1 3 373.501 0.883 20 0 FCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000374171842 217105510 /nfs/dbraw/zinc/10/55/10/217105510.db2.gz KHGRMCVCAFOQRF-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417363221 245686231 /nfs/dbraw/zinc/68/62/31/245686231.db2.gz AQOCGIXXVXVNEG-ZWKOTPCHSA-N 1 3 372.517 0.845 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889334 217331061 /nfs/dbraw/zinc/33/10/61/217331061.db2.gz JOQYAXVRNKVSCG-RBUKOAKNSA-N 1 3 365.566 0.639 20 0 FCADHO CC(C)(C)N1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000181036186 209107927 /nfs/dbraw/zinc/10/79/27/209107927.db2.gz HWQXXKZGTBALDZ-KRWDZBQOSA-N 1 3 352.523 0.772 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419156525 246022051 /nfs/dbraw/zinc/02/20/51/246022051.db2.gz VJTUCVXGZOLYEP-CJNGLKHVSA-N 1 3 364.515 0.930 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000419135152 246008529 /nfs/dbraw/zinc/00/85/29/246008529.db2.gz KSKCWRLRLFLACX-XWTMOSNGSA-N 1 3 358.486 0.929 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419166131 246028629 /nfs/dbraw/zinc/02/86/29/246028629.db2.gz ONPAHIFOOLZWJD-MSOLQXFVSA-N 1 3 374.485 0.247 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419170573 246032554 /nfs/dbraw/zinc/03/25/54/246032554.db2.gz NWIZKTUCAFQYAG-BRWVUGGUSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)[N@H+](C)Cc1ccccc1 ZINC000419186910 246040841 /nfs/dbraw/zinc/04/08/41/246040841.db2.gz FIZCEWNCSNSRGG-RDJZCZTQSA-N 1 3 362.474 0.118 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186910 246040845 /nfs/dbraw/zinc/04/08/45/246040845.db2.gz FIZCEWNCSNSRGG-RDJZCZTQSA-N 1 3 362.474 0.118 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419223447 246062814 /nfs/dbraw/zinc/06/28/14/246062814.db2.gz CYOBNQLIYGSBQM-NJAFHUGGSA-N 1 3 374.485 0.199 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419224470 246064208 /nfs/dbraw/zinc/06/42/08/246064208.db2.gz FMXANBRUTBCMER-YOEHRIQHSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225458 246064901 /nfs/dbraw/zinc/06/49/01/246064901.db2.gz HBQNBHJRRBVQDW-JQHSSLGASA-N 1 3 358.486 0.963 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419195138 246046957 /nfs/dbraw/zinc/04/69/57/246046957.db2.gz UPVCWOZUHASTOI-SFHVURJKSA-N 1 3 360.502 0.909 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000419199593 246048372 /nfs/dbraw/zinc/04/83/72/246048372.db2.gz DTDVRFORKXRVRH-RHSMWYFYSA-N 1 3 362.474 0.439 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419240220 246073131 /nfs/dbraw/zinc/07/31/31/246073131.db2.gz QYSONUHJHDJJMT-DZGCQCFKSA-N 1 3 354.495 0.596 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCC1 ZINC000419243679 246075417 /nfs/dbraw/zinc/07/54/17/246075417.db2.gz SVRZCUORZMNSPK-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419329485 246100761 /nfs/dbraw/zinc/10/07/61/246100761.db2.gz GJYVIBDYPFAKLL-RNJTYBCJSA-N 1 3 356.470 0.539 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419362165 246118086 /nfs/dbraw/zinc/11/80/86/246118086.db2.gz BGCCWAZHHQDVEJ-YOEHRIQHSA-N 1 3 358.486 0.398 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419370480 246122159 /nfs/dbraw/zinc/12/21/59/246122159.db2.gz JPOUNNQGLHMESE-IAGOWNOFSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419370482 246123165 /nfs/dbraw/zinc/12/31/65/246123165.db2.gz JPOUNNQGLHMESE-SJORKVTESA-N 1 3 352.523 0.975 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])Cc2ccccc2C1 ZINC000419376334 246124789 /nfs/dbraw/zinc/12/47/89/246124789.db2.gz RZDTXDAOMVHLND-UHFFFAOYSA-N 1 3 360.502 0.645 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381546 246125319 /nfs/dbraw/zinc/12/53/19/246125319.db2.gz YIUKBCPZELHTEA-IAGOWNOFSA-N 1 3 358.486 0.588 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419361637 246117415 /nfs/dbraw/zinc/11/74/15/246117415.db2.gz BDUCTWRRIUQDOI-CRAIPNDOSA-N 1 3 372.513 0.645 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCO1 ZINC000419417019 246150747 /nfs/dbraw/zinc/15/07/47/246150747.db2.gz HPROIHAXEHDVIT-MSOLQXFVSA-N 1 3 374.485 0.516 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419425775 246156193 /nfs/dbraw/zinc/15/61/93/246156193.db2.gz PRWTXIQMTQSEET-UHFFFAOYSA-N 1 3 370.497 0.977 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419425343 246156373 /nfs/dbraw/zinc/15/63/73/246156373.db2.gz PJEAEAHTFBXBQB-MAUKXSAKSA-N 1 3 358.486 0.747 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419425345 246157147 /nfs/dbraw/zinc/15/71/47/246157147.db2.gz PJEAEAHTFBXBQB-YJBOKZPZSA-N 1 3 358.486 0.747 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430821 246158070 /nfs/dbraw/zinc/15/80/70/246158070.db2.gz WEEGFLNAKLGMAT-CRAIPNDOSA-N 1 3 358.486 0.808 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430823 246159528 /nfs/dbraw/zinc/15/95/28/246159528.db2.gz WEEGFLNAKLGMAT-QAPCUYQASA-N 1 3 358.486 0.808 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419525586 246192220 /nfs/dbraw/zinc/19/22/20/246192220.db2.gz ROJPYLWKDXMBQL-UKPHBRMFSA-N 1 3 364.465 0.925 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419525586 246192226 /nfs/dbraw/zinc/19/22/26/246192226.db2.gz ROJPYLWKDXMBQL-UKPHBRMFSA-N 1 3 364.465 0.925 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475413 246176877 /nfs/dbraw/zinc/17/68/77/246176877.db2.gz DQQCXVQDZWPOED-BZUAXINKSA-N 1 3 368.522 0.844 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475413 246176882 /nfs/dbraw/zinc/17/68/82/246176882.db2.gz DQQCXVQDZWPOED-BZUAXINKSA-N 1 3 368.522 0.844 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)[C@H](CN)C1 ZINC000419479843 246178932 /nfs/dbraw/zinc/17/89/32/246178932.db2.gz MAJLVARFLGGUAA-DLBZAZTESA-N 1 3 368.522 0.579 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419586244 246211693 /nfs/dbraw/zinc/21/16/93/246211693.db2.gz MPJWNYFFBADYCL-INMHGKMJSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419586243 246211838 /nfs/dbraw/zinc/21/18/38/246211838.db2.gz MPJWNYFFBADYCL-HLLBOEOZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N(C)C1CC1 ZINC000419587734 246212791 /nfs/dbraw/zinc/21/27/91/246212791.db2.gz NSPOQMCPFXCYAC-XYPHTWIQSA-N 1 3 366.506 0.330 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000419528059 246193656 /nfs/dbraw/zinc/19/36/56/246193656.db2.gz VYEXRATZWJCTTF-SJORKVTESA-N 1 3 366.506 0.332 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624754 246222270 /nfs/dbraw/zinc/22/22/70/246222270.db2.gz AKJQNELCPVQNJR-BBRMVZONSA-N 1 3 362.474 0.594 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649697 246230022 /nfs/dbraw/zinc/23/00/22/246230022.db2.gz UIGMHOWLXIJIAZ-SWLSCSKDSA-N 1 3 352.479 0.206 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419717889 246268885 /nfs/dbraw/zinc/26/88/85/246268885.db2.gz CILJPRZJYJUROC-QZTJIDSGSA-N 1 3 370.497 0.835 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000419663207 246236098 /nfs/dbraw/zinc/23/60/98/246236098.db2.gz PVHMXUGOAQAMMU-GDAAHCPNSA-N 1 3 370.497 0.834 20 0 FCADHO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000419664650 246237172 /nfs/dbraw/zinc/23/71/72/246237172.db2.gz MMVMLYKUQFKZOD-JKSUJKDBSA-N 1 3 359.474 0.800 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000419672467 246240750 /nfs/dbraw/zinc/24/07/50/246240750.db2.gz IDQBBMWPDGZKFA-INIZCTEOSA-N 1 3 366.506 0.335 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717418 246267305 /nfs/dbraw/zinc/26/73/05/246267305.db2.gz BFQYTZXSMLNYDG-AAEUAGOBSA-N 1 3 354.495 0.641 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000419771521 246292067 /nfs/dbraw/zinc/29/20/67/246292067.db2.gz XSOHOMBHNVKKCX-ZWKOTPCHSA-N 1 3 358.486 0.867 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCCC[NH3+] ZINC000419831070 246309407 /nfs/dbraw/zinc/30/94/07/246309407.db2.gz LCBBWPQCURRKOT-UHFFFAOYSA-N 1 3 356.417 0.710 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCCC[NH3+] ZINC000419834842 246312741 /nfs/dbraw/zinc/31/27/41/246312741.db2.gz UFFGHHDNDJDJEI-UHFFFAOYSA-N 1 3 356.417 0.710 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419921743 246370655 /nfs/dbraw/zinc/37/06/55/246370655.db2.gz YLHVLRWVJXVYKX-HNNXBMFYSA-N 1 3 364.465 0.832 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419958140 246387845 /nfs/dbraw/zinc/38/78/45/246387845.db2.gz USHWUUKQXIPCHH-ZDUSSCGKSA-N 1 3 370.444 0.827 20 0 FCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000420153574 246499437 /nfs/dbraw/zinc/49/94/37/246499437.db2.gz ZZJSNHRLDKSGAC-QAPCUYQASA-N 1 3 373.501 0.871 20 0 FCADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420297657 246540488 /nfs/dbraw/zinc/54/04/88/246540488.db2.gz RIZJEJKSBJNROO-MAUKXSAKSA-N 1 3 358.486 0.747 20 0 FCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423236981 246982608 /nfs/dbraw/zinc/98/26/08/246982608.db2.gz HSMFCOMSTYHUHC-HDICACEKSA-N 1 3 358.486 0.775 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423558479 247051788 /nfs/dbraw/zinc/05/17/88/247051788.db2.gz NSWYDWQAYNSRIF-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423496902 247038053 /nfs/dbraw/zinc/03/80/53/247038053.db2.gz FUBDMSVYUDQTNJ-UXLLHSPISA-N 1 3 366.506 0.284 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423498580 247038370 /nfs/dbraw/zinc/03/83/70/247038370.db2.gz IFZMTRFTIBXEKH-HOTGVXAUSA-N 1 3 368.522 0.402 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423609914 247075879 /nfs/dbraw/zinc/07/58/79/247075879.db2.gz MDVGXVOSKLFZSA-HOTGVXAUSA-N 1 3 364.515 0.706 20 0 FCADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423641815 247087229 /nfs/dbraw/zinc/08/72/29/247087229.db2.gz HUBQVFLBBOFEBC-QGZVFWFLSA-N 1 3 359.474 0.706 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423653346 247094706 /nfs/dbraw/zinc/09/47/06/247094706.db2.gz OTFVLNUNIHWNKF-LSDHHAIUSA-N 1 3 350.463 0.756 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000423666509 247101048 /nfs/dbraw/zinc/10/10/48/247101048.db2.gz MJAPGXPHTNAZCB-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000423666509 247101052 /nfs/dbraw/zinc/10/10/52/247101052.db2.gz MJAPGXPHTNAZCB-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423771365 247139913 /nfs/dbraw/zinc/13/99/13/247139913.db2.gz FVZUSZWEJWFNQX-SJLPKXTDSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775936 247141726 /nfs/dbraw/zinc/14/17/26/247141726.db2.gz PVGBYDQWYMNESS-GJZGRUSLSA-N 1 3 352.866 0.927 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423788625 247141748 /nfs/dbraw/zinc/14/17/48/247141748.db2.gz YALSVJSUDFFOHM-NJAFHUGGSA-N 1 3 358.486 0.881 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423778583 247142422 /nfs/dbraw/zinc/14/24/22/247142422.db2.gz SZWAYCVHSKOPKW-OAHLLOKOSA-N 1 3 352.504 0.897 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423718112 247124703 /nfs/dbraw/zinc/12/47/03/247124703.db2.gz BXUNYEDGRIWERW-IXDOHACOSA-N 1 3 362.449 0.631 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@@H]1CN ZINC000423728532 247129164 /nfs/dbraw/zinc/12/91/64/247129164.db2.gz JVDDJEKGUADFLJ-DOTOQJQBSA-N 1 3 368.522 0.532 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000423730589 247130914 /nfs/dbraw/zinc/13/09/14/247130914.db2.gz LIVCPDJZLDTXJQ-ZBFHGGJFSA-N 1 3 350.463 0.756 20 0 FCADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424291547 247194819 /nfs/dbraw/zinc/19/48/19/247194819.db2.gz MGKFSSLSFYPCNR-OTWHNJEPSA-N 1 3 370.501 0.566 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424491467 247238583 /nfs/dbraw/zinc/23/85/83/247238583.db2.gz DKVYUPCNNOEONY-DSLXNQLJSA-N 1 3 370.497 0.915 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424518222 247249209 /nfs/dbraw/zinc/24/92/09/247249209.db2.gz HNWGYTJXOLYAFS-OKZBNKHCSA-N 1 3 356.470 0.573 20 0 FCADHO c1cn([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@@H](n4ccnn4)C3)C2)nn1 ZINC000425500946 247346748 /nfs/dbraw/zinc/34/67/48/247346748.db2.gz DSELMAYSNOSXOW-QZTJIDSGSA-N 1 3 374.493 0.860 20 0 FCADHO c1cn([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@@H](n4ccnn4)C3)C2)nn1 ZINC000425500946 247346751 /nfs/dbraw/zinc/34/67/51/247346751.db2.gz DSELMAYSNOSXOW-QZTJIDSGSA-N 1 3 374.493 0.860 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433166942 247845474 /nfs/dbraw/zinc/84/54/74/247845474.db2.gz YVPOCJKUYCMSKT-UHFFFAOYSA-N 1 3 367.538 0.202 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CN1C1CC1 ZINC000440940339 248223656 /nfs/dbraw/zinc/22/36/56/248223656.db2.gz GSEVVJJFERWREZ-RBSFLKMASA-N 1 3 351.495 0.498 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CN1C1CC1 ZINC000440940339 248223660 /nfs/dbraw/zinc/22/36/60/248223660.db2.gz GSEVVJJFERWREZ-RBSFLKMASA-N 1 3 351.495 0.498 20 0 FCADHO C[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444254986 248353940 /nfs/dbraw/zinc/35/39/40/248353940.db2.gz WMSWYCYXMDZLLK-KSZLIROESA-N 1 3 354.539 0.754 20 0 FCADHO C[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444254986 248353943 /nfs/dbraw/zinc/35/39/43/248353943.db2.gz WMSWYCYXMDZLLK-KSZLIROESA-N 1 3 354.539 0.754 20 0 FCADHO COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](F)CN2)c1 ZINC000446368345 248387605 /nfs/dbraw/zinc/38/76/05/248387605.db2.gz DZQLBNWYBHEZFT-DOTOQJQBSA-N 1 3 353.438 0.960 20 0 FCADHO COCC[N@@H+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](F)CN2)c1 ZINC000446368345 248387609 /nfs/dbraw/zinc/38/76/09/248387609.db2.gz DZQLBNWYBHEZFT-DOTOQJQBSA-N 1 3 353.438 0.960 20 0 FCADHO C[NH+](C)C1(CNC(=O)NCCCCN2CCN(CCO)CC2)CCC1 ZINC000446619959 248392612 /nfs/dbraw/zinc/39/26/12/248392612.db2.gz LEUHEXKUTJGHLS-UHFFFAOYSA-N 1 3 355.527 0.160 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCO1 ZINC000453708028 249357760 /nfs/dbraw/zinc/35/77/60/249357760.db2.gz BQKLVTAEWZXNSQ-AEFFLSMTSA-N 1 3 374.485 0.963 20 0 FCADHO CN1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000270973648 211310249 /nfs/dbraw/zinc/31/02/49/211310249.db2.gz KENYMQUONPNKIA-GJZGRUSLSA-N 1 3 362.474 0.857 20 0 FCADHO CN1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000270973648 211310252 /nfs/dbraw/zinc/31/02/52/211310252.db2.gz KENYMQUONPNKIA-GJZGRUSLSA-N 1 3 362.474 0.857 20 0 FCADHO CC[NH+]1CCN(c2ccccc2CN(C)CC(=O)N2CCNCC2)CC1 ZINC000470009274 250020703 /nfs/dbraw/zinc/02/07/03/250020703.db2.gz QCQTVHGGYOBCTP-UHFFFAOYSA-N 1 3 359.518 0.692 20 0 FCADHO O=C([C@H]1CN2CCN1CCC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561462 250236218 /nfs/dbraw/zinc/23/62/18/250236218.db2.gz MKDIXDITIIVJNL-HSALFYBXSA-N 1 3 354.498 0.967 20 0 FCADHO O=C([C@H]1CN2CCN1CCC2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473561462 250236224 /nfs/dbraw/zinc/23/62/24/250236224.db2.gz MKDIXDITIIVJNL-HSALFYBXSA-N 1 3 354.498 0.967 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCN(C)CC1 ZINC000481018336 250309443 /nfs/dbraw/zinc/30/94/43/250309443.db2.gz DPZINDSRKNULCE-FUHWJXTLSA-N 1 3 371.595 0.995 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000500443627 250815124 /nfs/dbraw/zinc/81/51/24/250815124.db2.gz QHPGWGLKAWVJIG-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO COCCN(C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077569911 208073604 /nfs/dbraw/zinc/07/36/04/208073604.db2.gz NTBARGAOCPWCNF-MRXNPFEDSA-N 1 3 356.511 0.755 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000119817868 208369009 /nfs/dbraw/zinc/36/90/09/208369009.db2.gz FWIZYXFUUIIVRU-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000119817868 208369013 /nfs/dbraw/zinc/36/90/13/208369013.db2.gz FWIZYXFUUIIVRU-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO Cn1c2ncn(CCN3CCC(CC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000118868271 208352088 /nfs/dbraw/zinc/35/20/88/208352088.db2.gz UWDCTGLWAUIRPG-UHFFFAOYSA-N 1 3 362.478 0.097 20 0 FCADHO CS[C@H](CO)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119871576 208370504 /nfs/dbraw/zinc/37/05/04/208370504.db2.gz XWZXDJHRLRMANV-CZUORRHYSA-N 1 3 358.552 0.957 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000176603883 209005824 /nfs/dbraw/zinc/00/58/24/209005824.db2.gz HRIYTTBCXFGFLZ-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410441117 230080766 /nfs/dbraw/zinc/08/07/66/230080766.db2.gz XZYIXYOZFAHOFP-LPHOPBHVSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410441117 230080770 /nfs/dbraw/zinc/08/07/70/230080770.db2.gz XZYIXYOZFAHOFP-LPHOPBHVSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410441382 230081678 /nfs/dbraw/zinc/08/16/78/230081678.db2.gz YIBHAPBCFIVETP-QGZVFWFLSA-N 1 3 368.522 0.356 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3nc4ccccn4c3=O)CC2)CC1 ZINC000050799309 488114773 /nfs/dbraw/zinc/11/47/73/488114773.db2.gz CSMPSZQCMBEDQX-UHFFFAOYSA-N 1 3 372.473 0.171 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OCC(N)=O)cc3)CC2)CC1 ZINC000050800804 488115887 /nfs/dbraw/zinc/11/58/87/488115887.db2.gz YGGAARLLGZEFHJ-UHFFFAOYSA-N 1 3 374.485 0.839 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(CN3CCOCC3)CC2)CC1 ZINC000051958611 488153060 /nfs/dbraw/zinc/15/30/60/488153060.db2.gz RYDZAUDRBTXFMB-KRWDZBQOSA-N 1 3 352.523 0.583 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CCN(C2CC2)CC1 ZINC000569793381 491191606 /nfs/dbraw/zinc/19/16/06/491191606.db2.gz LUNIBGUFMLUXCL-CQSZACIVSA-N 1 3 363.428 0.749 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000073378156 488384329 /nfs/dbraw/zinc/38/43/29/488384329.db2.gz LBPAIGCCXDJIQJ-UHFFFAOYSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1=O ZINC000074152714 488387898 /nfs/dbraw/zinc/38/78/98/488387898.db2.gz LNMWDXPJOOXREK-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1=O ZINC000074152714 488387899 /nfs/dbraw/zinc/38/78/99/488387899.db2.gz LNMWDXPJOOXREK-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184511099 488396903 /nfs/dbraw/zinc/39/69/03/488396903.db2.gz IQSWCCYCLXGLOD-AEFFLSMTSA-N 1 3 354.539 0.922 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335640 491195229 /nfs/dbraw/zinc/19/52/29/491195229.db2.gz ZCZAQQJLLBQKSQ-QAPCUYQASA-N 1 3 372.513 0.801 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335640 491195232 /nfs/dbraw/zinc/19/52/32/491195232.db2.gz ZCZAQQJLLBQKSQ-QAPCUYQASA-N 1 3 372.513 0.801 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN(C)C2CC2)CC1=O ZINC000186777875 488407919 /nfs/dbraw/zinc/40/79/19/488407919.db2.gz HPYYWJRTATUWAQ-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN(C)C2CC2)CC1=O ZINC000186777875 488407922 /nfs/dbraw/zinc/40/79/22/488407922.db2.gz HPYYWJRTATUWAQ-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000192491728 488422334 /nfs/dbraw/zinc/42/23/34/488422334.db2.gz RTWRNIDWSAWLLR-HNNXBMFYSA-N 1 3 369.535 0.824 20 0 FCADHO CC1CCN(CC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000236840368 488453601 /nfs/dbraw/zinc/45/36/01/488453601.db2.gz APWSQDPVIARUCA-IRXDYDNUSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(C[C@@H]1CSCCN1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000238044693 488458110 /nfs/dbraw/zinc/45/81/10/488458110.db2.gz WWFKQKXCWQLXNK-ZNMIVQPWSA-N 1 3 354.520 0.188 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000246122384 488469849 /nfs/dbraw/zinc/46/98/49/488469849.db2.gz HJPIHTGQUBXOLD-VVLHAWIVSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000246122384 488469851 /nfs/dbraw/zinc/46/98/51/488469851.db2.gz HJPIHTGQUBXOLD-VVLHAWIVSA-N 1 3 352.523 0.879 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1nnc2ccccc2c1=O ZINC000103210766 488500023 /nfs/dbraw/zinc/50/00/23/488500023.db2.gz KHSGEUYAHHUYSD-UHFFFAOYSA-N 1 3 360.462 0.133 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000252653554 488519133 /nfs/dbraw/zinc/51/91/33/488519133.db2.gz ZLLNHCKKAVDSSH-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000252653554 488519134 /nfs/dbraw/zinc/51/91/34/488519134.db2.gz ZLLNHCKKAVDSSH-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000252653483 488519509 /nfs/dbraw/zinc/51/95/09/488519509.db2.gz ZLLNHCKKAVDSSH-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000252653483 488519512 /nfs/dbraw/zinc/51/95/12/488519512.db2.gz ZLLNHCKKAVDSSH-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108570859 488520447 /nfs/dbraw/zinc/52/04/47/488520447.db2.gz CGLYRPCBHZHFQE-HZPDHXFCSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108570859 488520450 /nfs/dbraw/zinc/52/04/50/488520450.db2.gz CGLYRPCBHZHFQE-HZPDHXFCSA-N 1 3 353.511 0.570 20 0 FCADHO COCCN1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109170477 488522248 /nfs/dbraw/zinc/52/22/48/488522248.db2.gz CMZTYZSTASXNNH-KRWDZBQOSA-N 1 3 356.511 0.489 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114587406 488541888 /nfs/dbraw/zinc/54/18/88/488541888.db2.gz OLFPDCGLSSEVSB-SFHVURJKSA-N 1 3 369.554 0.408 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000114587406 488541889 /nfs/dbraw/zinc/54/18/89/488541889.db2.gz OLFPDCGLSSEVSB-SFHVURJKSA-N 1 3 369.554 0.408 20 0 FCADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000119831935 488559321 /nfs/dbraw/zinc/55/93/21/488559321.db2.gz BPRGVSIAVVOZMR-UHFFFAOYSA-N 1 3 360.466 0.928 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262333002 488564270 /nfs/dbraw/zinc/56/42/70/488564270.db2.gz RWGOKRZSRBAMKM-MRXNPFEDSA-N 1 3 352.504 0.416 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000122072508 488575032 /nfs/dbraw/zinc/57/50/32/488575032.db2.gz KJSHCWFLZPMKHG-OKZBNKHCSA-N 1 3 358.486 0.663 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000124162105 488590218 /nfs/dbraw/zinc/59/02/18/488590218.db2.gz LQZIZDINYKRYBN-SFHVURJKSA-N 1 3 352.479 0.739 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000130540053 488638115 /nfs/dbraw/zinc/63/81/15/488638115.db2.gz HSOGVCUAOPSHMJ-UHFFFAOYSA-N 1 3 372.473 0.763 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000130587021 488638575 /nfs/dbraw/zinc/63/85/75/488638575.db2.gz YKCMSMMFTPNEOR-UHFFFAOYSA-N 1 3 372.473 0.763 20 0 FCADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000130644841 488639425 /nfs/dbraw/zinc/63/94/25/488639425.db2.gz ISSQNBFHEFJOPG-UHFFFAOYSA-N 1 3 366.506 0.551 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccnc1N1CCOCC1 ZINC000131574145 488647147 /nfs/dbraw/zinc/64/71/47/488647147.db2.gz QAKGGBXVXYHQTC-UHFFFAOYSA-N 1 3 364.494 0.875 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000132960067 488656441 /nfs/dbraw/zinc/65/64/41/488656441.db2.gz KKSLLJZLTFRXIE-UHFFFAOYSA-N 1 3 364.494 0.809 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000132984563 488656614 /nfs/dbraw/zinc/65/66/14/488656614.db2.gz QBOMPPFLBZATHK-LJQANCHMSA-N 1 3 362.518 0.839 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000153574769 488732314 /nfs/dbraw/zinc/73/23/14/488732314.db2.gz WCVIWVORUYRCKT-DOTOQJQBSA-N 1 3 354.495 0.459 20 0 FCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154011553 488737672 /nfs/dbraw/zinc/73/76/72/488737672.db2.gz FQXKPTCXXJHUIW-HNNXBMFYSA-N 1 3 364.494 0.574 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](O)COCC3CC3)CC2)CC1 ZINC000155024820 488750004 /nfs/dbraw/zinc/75/00/04/488750004.db2.gz OOCRTFOHSLYTLO-GOSISDBHSA-N 1 3 368.522 0.632 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000155138872 488751937 /nfs/dbraw/zinc/75/19/37/488751937.db2.gz ROPXZLHZJAYCOS-HNNXBMFYSA-N 1 3 364.494 0.477 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000155138872 488751939 /nfs/dbraw/zinc/75/19/39/488751939.db2.gz ROPXZLHZJAYCOS-HNNXBMFYSA-N 1 3 364.494 0.477 20 0 FCADHO CN1CCN(Cc2cccc(NC(=O)C(=O)NCC[NH+]3CCCC3)c2)CC1 ZINC000172304309 488832760 /nfs/dbraw/zinc/83/27/60/488832760.db2.gz PDZSGLRTVMLXPF-UHFFFAOYSA-N 1 3 373.501 0.585 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199379 491223686 /nfs/dbraw/zinc/22/36/86/491223686.db2.gz NNNFHCXLODTVSA-GOEBONIOSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199379 491223689 /nfs/dbraw/zinc/22/36/89/491223689.db2.gz NNNFHCXLODTVSA-GOEBONIOSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1CCOCC1 ZINC000173905932 488846164 /nfs/dbraw/zinc/84/61/64/488846164.db2.gz BWJNGOZRRPYPDC-QGZVFWFLSA-N 1 3 355.527 0.376 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1CCOCC1 ZINC000173905932 488846165 /nfs/dbraw/zinc/84/61/65/488846165.db2.gz BWJNGOZRRPYPDC-QGZVFWFLSA-N 1 3 355.527 0.376 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962385 488862859 /nfs/dbraw/zinc/86/28/59/488862859.db2.gz DADRSYUXGZWUCJ-OAHLLOKOSA-N 1 3 367.538 0.057 20 0 FCADHO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000364670983 488983959 /nfs/dbraw/zinc/98/39/59/488983959.db2.gz GNVBOWJEOIFGND-WOJBJXKFSA-N 1 3 372.513 0.649 20 0 FCADHO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000364670983 488983961 /nfs/dbraw/zinc/98/39/61/488983961.db2.gz GNVBOWJEOIFGND-WOJBJXKFSA-N 1 3 372.513 0.649 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC1=O ZINC000563207587 491227254 /nfs/dbraw/zinc/22/72/54/491227254.db2.gz PUCZETTZNCOELU-ZDUSSCGKSA-N 1 3 365.503 0.959 20 0 FCADHO CCN1CCN(CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000570283049 491230221 /nfs/dbraw/zinc/23/02/21/491230221.db2.gz KFHXBNIHFWRYJW-MRXNPFEDSA-N 1 3 363.510 0.178 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000365690113 489100993 /nfs/dbraw/zinc/10/09/93/489100993.db2.gz DBUICCSMHQIPCC-PBFPGSCMSA-N 1 3 350.467 0.305 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000563291838 491235368 /nfs/dbraw/zinc/23/53/68/491235368.db2.gz FNQZPAICNWXJLE-UHFFFAOYSA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172644 489154810 /nfs/dbraw/zinc/15/48/10/489154810.db2.gz SIUXFHBEJZIWPY-IEBWSBKVSA-N 1 3 351.539 0.997 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172644 489154813 /nfs/dbraw/zinc/15/48/13/489154813.db2.gz SIUXFHBEJZIWPY-IEBWSBKVSA-N 1 3 351.539 0.997 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000332780537 489229259 /nfs/dbraw/zinc/22/92/59/489229259.db2.gz SUPWMMDGPUVARA-IAGOWNOFSA-N 1 3 365.522 0.759 20 0 FCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000369469124 489242032 /nfs/dbraw/zinc/24/20/32/489242032.db2.gz QTOFOIAKIJAJSY-MSOLQXFVSA-N 1 3 374.485 0.709 20 0 FCADHO O=C(NC[C@]1(O)CN2CCC1CC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000563397166 491241837 /nfs/dbraw/zinc/24/18/37/491241837.db2.gz QRNUPOGLHPHPTA-AEFFLSMTSA-N 1 3 353.532 0.777 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332967284 489251835 /nfs/dbraw/zinc/25/18/35/489251835.db2.gz PXVPHJFGIHFSGV-GVDBMIGSSA-N 1 3 363.506 0.561 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332967284 489251837 /nfs/dbraw/zinc/25/18/37/489251837.db2.gz PXVPHJFGIHFSGV-GVDBMIGSSA-N 1 3 363.506 0.561 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297945504 489266659 /nfs/dbraw/zinc/26/66/59/489266659.db2.gz DPHOQCZTLKSLAV-HDICACEKSA-N 1 3 358.486 0.597 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297945504 489266660 /nfs/dbraw/zinc/26/66/60/489266660.db2.gz DPHOQCZTLKSLAV-HDICACEKSA-N 1 3 358.486 0.597 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452344 491248558 /nfs/dbraw/zinc/24/85/58/491248558.db2.gz WGHZEIVDZSXFTN-GVDBMIGSSA-N 1 3 363.506 0.737 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452344 491248561 /nfs/dbraw/zinc/24/85/61/491248561.db2.gz WGHZEIVDZSXFTN-GVDBMIGSSA-N 1 3 363.506 0.737 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452346 491248699 /nfs/dbraw/zinc/24/86/99/491248699.db2.gz WGHZEIVDZSXFTN-YESZJQIVSA-N 1 3 363.506 0.737 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452346 491248702 /nfs/dbraw/zinc/24/87/02/491248702.db2.gz WGHZEIVDZSXFTN-YESZJQIVSA-N 1 3 363.506 0.737 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1=O ZINC000370473934 489364124 /nfs/dbraw/zinc/36/41/24/489364124.db2.gz TZKRMOOWAFNNJU-AHCXZYCDSA-N 1 3 362.518 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1=O ZINC000370473934 489364127 /nfs/dbraw/zinc/36/41/27/489364127.db2.gz TZKRMOOWAFNNJU-AHCXZYCDSA-N 1 3 362.518 0.918 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286209281 489368759 /nfs/dbraw/zinc/36/87/59/489368759.db2.gz SLPKMWQMEXPXFE-FQEVSTJZSA-N 1 3 371.529 0.705 20 0 FCADHO CN(CCCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)Cc1ccco1 ZINC000286333185 489380623 /nfs/dbraw/zinc/38/06/23/489380623.db2.gz AREVDTUTSXSDBW-INIZCTEOSA-N 1 3 364.490 0.970 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370601151 489380902 /nfs/dbraw/zinc/38/09/02/489380902.db2.gz FOSVDJKVTBBUOK-MRXNPFEDSA-N 1 3 356.511 0.849 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370601151 489380904 /nfs/dbraw/zinc/38/09/04/489380904.db2.gz FOSVDJKVTBBUOK-MRXNPFEDSA-N 1 3 356.511 0.849 20 0 FCADHO COC(=O)CSCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362965578 489408571 /nfs/dbraw/zinc/40/85/71/489408571.db2.gz YNKNRTUYZDFSLF-UHFFFAOYSA-N 1 3 357.520 0.958 20 0 FCADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000570651398 491255759 /nfs/dbraw/zinc/25/57/59/491255759.db2.gz QIYPJFJVRLULEX-QZTJIDSGSA-N 1 3 373.501 0.982 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423093068 489492558 /nfs/dbraw/zinc/49/25/58/489492558.db2.gz FQKYPWPTDMLKTQ-GJZGRUSLSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000423146352 489496884 /nfs/dbraw/zinc/49/68/84/489496884.db2.gz AHXVXFFLKHJGAN-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423158710 489498135 /nfs/dbraw/zinc/49/81/35/489498135.db2.gz XBESRCXZBWYJLB-MSOLQXFVSA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423167604 489498917 /nfs/dbraw/zinc/49/89/17/489498917.db2.gz SNNIXRXNWUSENJ-UHFFFAOYSA-N 1 3 364.465 0.913 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423170280 489499069 /nfs/dbraw/zinc/49/90/69/489499069.db2.gz XRQBEHOMVBJRTN-QZTJIDSGSA-N 1 3 373.501 0.715 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423170552 489499679 /nfs/dbraw/zinc/49/96/79/489499679.db2.gz YDIULOMDXAEMMS-IYBDPMFKSA-N 1 3 362.449 0.394 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423202735 489501908 /nfs/dbraw/zinc/50/19/08/489501908.db2.gz LDXIIPHDYYOALM-HOCLYGCPSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000423205214 489502626 /nfs/dbraw/zinc/50/26/26/489502626.db2.gz DWWLROGWROSIBS-MRXNPFEDSA-N 1 3 354.495 0.014 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000423204802 489502926 /nfs/dbraw/zinc/50/29/26/489502926.db2.gz OOXJIFJWYBOVGK-OAHLLOKOSA-N 1 3 368.428 0.675 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000423219158 489504533 /nfs/dbraw/zinc/50/45/33/489504533.db2.gz WHAUAGSTYGLOSW-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423258446 489507969 /nfs/dbraw/zinc/50/79/69/489507969.db2.gz MCRPJWISYDFZOY-RBUKOAKNSA-N 1 3 372.513 0.953 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)C1 ZINC000415383405 489516709 /nfs/dbraw/zinc/51/67/09/489516709.db2.gz XUEKCYACTWQHNA-CQSZACIVSA-N 1 3 366.437 0.915 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(C)c2)CC1 ZINC000415415473 489518136 /nfs/dbraw/zinc/51/81/36/489518136.db2.gz IILJZVLTEGBKSZ-OAHLLOKOSA-N 1 3 361.490 0.881 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000415447584 489522010 /nfs/dbraw/zinc/52/20/10/489522010.db2.gz HJWFBTKQNNBTSX-UHFFFAOYSA-N 1 3 364.494 0.812 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415515740 489526266 /nfs/dbraw/zinc/52/62/66/489526266.db2.gz DQRPHIIOYJHYOV-CHWSQXEVSA-N 1 3 366.437 0.900 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000415561210 489530442 /nfs/dbraw/zinc/53/04/42/489530442.db2.gz OAVRFBSEFPVQCB-UHFFFAOYSA-N 1 3 373.501 0.760 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415603351 489535806 /nfs/dbraw/zinc/53/58/06/489535806.db2.gz NMAUGCGVMVXMOH-IBGZPJMESA-N 1 3 360.458 0.778 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415651620 489539609 /nfs/dbraw/zinc/53/96/09/489539609.db2.gz BWMIGGSXVXIIJW-CQSZACIVSA-N 1 3 350.463 0.988 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415861201 489560488 /nfs/dbraw/zinc/56/04/88/489560488.db2.gz IQVFBFIADKSIAS-GOSISDBHSA-N 1 3 374.485 0.758 20 0 FCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415864022 489561308 /nfs/dbraw/zinc/56/13/08/489561308.db2.gz XXELRFJFBIYZMB-GOSISDBHSA-N 1 3 373.501 0.631 20 0 FCADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000415870554 489562035 /nfs/dbraw/zinc/56/20/35/489562035.db2.gz TVRBGFPMFSMRMG-YJBOKZPZSA-N 1 3 374.485 0.962 20 0 FCADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)C1 ZINC000415870554 489562038 /nfs/dbraw/zinc/56/20/38/489562038.db2.gz TVRBGFPMFSMRMG-YJBOKZPZSA-N 1 3 374.485 0.962 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000415870897 489562212 /nfs/dbraw/zinc/56/22/12/489562212.db2.gz PQEBMJQKJMIJRX-LSDHHAIUSA-N 1 3 360.458 0.633 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416004574 489567267 /nfs/dbraw/zinc/56/72/67/489567267.db2.gz IQPCKTFNZYZUPG-RYUDHWBXSA-N 1 3 367.416 0.508 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000563702732 491264189 /nfs/dbraw/zinc/26/41/89/491264189.db2.gz LMJMYCGTFDLKGA-HZPDHXFCSA-N 1 3 350.507 0.990 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000563702732 491264191 /nfs/dbraw/zinc/26/41/91/491264191.db2.gz LMJMYCGTFDLKGA-HZPDHXFCSA-N 1 3 350.507 0.990 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000563704926 491264355 /nfs/dbraw/zinc/26/43/55/491264355.db2.gz APSMIMRVOXIHCE-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000372454902 489585895 /nfs/dbraw/zinc/58/58/95/489585895.db2.gz MHDWAKGJMYSKFN-ROUUACIJSA-N 1 3 366.550 0.972 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](NC(=O)NC)C3)CC2)CC1 ZINC000570813851 491266368 /nfs/dbraw/zinc/26/63/68/491266368.db2.gz IQPOFNYSRIVPLU-INIZCTEOSA-N 1 3 365.522 0.713 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000555700651 491266665 /nfs/dbraw/zinc/26/66/65/491266665.db2.gz QBOWAOGALJFOMM-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000555700651 491266667 /nfs/dbraw/zinc/26/66/67/491266667.db2.gz QBOWAOGALJFOMM-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417012684 489638803 /nfs/dbraw/zinc/63/88/03/489638803.db2.gz ATKHEGADKIBVES-JKSUJKDBSA-N 1 3 353.511 0.890 20 0 FCADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)N1CCN(C)CC1 ZINC000457622632 489651261 /nfs/dbraw/zinc/65/12/61/489651261.db2.gz QNRVSAYNTZHKNI-ZWKOTPCHSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622632 489651263 /nfs/dbraw/zinc/65/12/63/489651263.db2.gz QNRVSAYNTZHKNI-ZWKOTPCHSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)N1CCN(C)CC1 ZINC000457622632 489651264 /nfs/dbraw/zinc/65/12/64/489651264.db2.gz QNRVSAYNTZHKNI-ZWKOTPCHSA-N 1 3 369.554 0.404 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417426416 489652043 /nfs/dbraw/zinc/65/20/43/489652043.db2.gz GNXOTXRDSJOKKM-HZPDHXFCSA-N 1 3 353.511 0.700 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417429601 489652711 /nfs/dbraw/zinc/65/27/11/489652711.db2.gz NJIZZOTVJLXCSJ-MRXNPFEDSA-N 1 3 351.495 0.538 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417428141 489652795 /nfs/dbraw/zinc/65/27/95/489652795.db2.gz KFBUEXNQMOXLCF-HOTGVXAUSA-N 1 3 353.511 0.761 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417429042 489652946 /nfs/dbraw/zinc/65/29/46/489652946.db2.gz MPDJOKRUNDFJAC-PMPSAXMXSA-N 1 3 353.511 0.746 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC1=O ZINC000428543959 489653047 /nfs/dbraw/zinc/65/30/47/489653047.db2.gz IWBWCWZCPYSBOU-WMZOPIPTSA-N 1 3 374.485 0.602 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417519130 489656708 /nfs/dbraw/zinc/65/67/08/489656708.db2.gz ULFMMZNJRTUYKH-SQNIBIBYSA-N 1 3 364.490 0.576 20 0 FCADHO C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C1CC1 ZINC000417550838 489658322 /nfs/dbraw/zinc/65/83/22/489658322.db2.gz MMTMRQTVZVDOJJ-AAEUAGOBSA-N 1 3 351.417 0.604 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417750248 489664202 /nfs/dbraw/zinc/66/42/02/489664202.db2.gz KKZPVIIRNDNPOJ-SJLPKXTDSA-N 1 3 355.527 0.328 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000373120908 489670403 /nfs/dbraw/zinc/67/04/03/489670403.db2.gz HYPLRQFDMBSERY-OKZBNKHCSA-N 1 3 351.539 0.994 20 0 FCADHO CC(C)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)N1CCN(C)CC1 ZINC000373120908 489670404 /nfs/dbraw/zinc/67/04/04/489670404.db2.gz HYPLRQFDMBSERY-OKZBNKHCSA-N 1 3 351.539 0.994 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563804490 491270145 /nfs/dbraw/zinc/27/01/45/491270145.db2.gz PJMJWJSUSKIZBW-INIZCTEOSA-N 1 3 364.465 0.913 20 0 FCADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCCN(CCCO)C1 ZINC000458331830 489677353 /nfs/dbraw/zinc/67/73/53/489677353.db2.gz HMSFPLSDMWJIKZ-KRWDZBQOSA-N 1 3 368.522 0.777 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000373240267 489681585 /nfs/dbraw/zinc/68/15/85/489681585.db2.gz GOGQMVURJFTATL-UHFFFAOYSA-N 1 3 364.494 0.889 20 0 FCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000458450485 489684009 /nfs/dbraw/zinc/68/40/09/489684009.db2.gz FXGOUIBYRRQKFV-OKZBNKHCSA-N 1 3 369.554 0.357 20 0 FCADHO COC[C@@]1(CNC(=O)NCc2ccncc2OCCN(C)C)CCC[NH2+]1 ZINC000418197818 489684306 /nfs/dbraw/zinc/68/43/06/489684306.db2.gz UECDRBIQUCVVLM-SFHVURJKSA-N 1 3 365.478 0.590 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418383151 489694561 /nfs/dbraw/zinc/69/45/61/489694561.db2.gz ZBZKPTKYPXNUGK-IRXDYDNUSA-N 1 3 361.490 0.327 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418398346 489695722 /nfs/dbraw/zinc/69/57/22/489695722.db2.gz CRLPWJDHHAYKMT-CVEARBPZSA-N 1 3 353.511 0.700 20 0 FCADHO CSC1(CNC(=O)NC[C@H]2CCCN2CCCO)CC[NH+](C)CC1 ZINC000458796307 489703203 /nfs/dbraw/zinc/70/32/03/489703203.db2.gz WTPQMCJRXMNPOW-OAHLLOKOSA-N 1 3 358.552 0.960 20 0 FCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418570855 489708156 /nfs/dbraw/zinc/70/81/56/489708156.db2.gz RBOPWSXULUOPAN-OWQGQXMQSA-N 1 3 368.428 0.776 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611551 489710240 /nfs/dbraw/zinc/71/02/40/489710240.db2.gz HVSVDDPEBCGJPY-ZDUSSCGKSA-N 1 3 351.417 0.558 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623657 489711976 /nfs/dbraw/zinc/71/19/76/489711976.db2.gz XIIJORFERLKJSL-CHWSQXEVSA-N 1 3 351.417 0.558 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418636576 489714096 /nfs/dbraw/zinc/71/40/96/489714096.db2.gz MJLLIYLXVAVJAP-SJLPKXTDSA-N 1 3 373.501 0.903 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418825639 489741276 /nfs/dbraw/zinc/74/12/76/489741276.db2.gz AKWDIPPUQADPBT-HCXYKTFWSA-N 1 3 372.513 0.780 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418825641 489741721 /nfs/dbraw/zinc/74/17/21/489741721.db2.gz AKWDIPPUQADPBT-MKXGPGLRSA-N 1 3 372.513 0.780 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000418834949 489746688 /nfs/dbraw/zinc/74/66/88/489746688.db2.gz MUUZEXIRHUWWDE-GJZGRUSLSA-N 1 3 354.495 0.332 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848894 489755569 /nfs/dbraw/zinc/75/55/69/489755569.db2.gz LVRMAYKQILSTPM-XLIONFOSSA-N 1 3 358.486 0.488 20 0 FCADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633762 489758827 /nfs/dbraw/zinc/75/88/27/489758827.db2.gz QDFBQRFBOIFQAP-ZBFHGGJFSA-N 1 3 364.465 0.660 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418865119 489764436 /nfs/dbraw/zinc/76/44/36/489764436.db2.gz LRLVVONVQWRPAT-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)COC2C[NH2+]C2)cc1)[C@@H]1CCCN(C)C1 ZINC000430788540 489770756 /nfs/dbraw/zinc/77/07/56/489770756.db2.gz CIGJUKZVGYLYNG-MRXNPFEDSA-N 1 3 360.458 0.780 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@@H]1C[NH3+] ZINC000418878108 489770873 /nfs/dbraw/zinc/77/08/73/489770873.db2.gz QFNTVLXQXBVVQJ-KBAYOESNSA-N 1 3 360.502 0.861 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430878765 489774804 /nfs/dbraw/zinc/77/48/04/489774804.db2.gz PRCARCHYQWGSES-HMQMGEFJSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883638 489774926 /nfs/dbraw/zinc/77/49/26/489774926.db2.gz VLBFRVVBSRLBLJ-WBVHZDCISA-N 1 3 368.522 0.627 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418885938 489775909 /nfs/dbraw/zinc/77/59/09/489775909.db2.gz ZPUMLZDQMUTILO-OWCLPIDISA-N 1 3 354.495 0.237 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941812 489798701 /nfs/dbraw/zinc/79/87/01/489798701.db2.gz WKSRAIILFADLQZ-CVEARBPZSA-N 1 3 368.522 0.988 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418980997 489809626 /nfs/dbraw/zinc/80/96/26/489809626.db2.gz GDBQNRQBVUTYHY-BBRMVZONSA-N 1 3 362.474 0.594 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419019386 489820192 /nfs/dbraw/zinc/82/01/92/489820192.db2.gz DIRBYJVLAISCSI-CBBWQLFWSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419019386 489820195 /nfs/dbraw/zinc/82/01/95/489820195.db2.gz DIRBYJVLAISCSI-CBBWQLFWSA-N 1 3 354.495 0.452 20 0 FCADHO CCn1ncnc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000475419324 489825475 /nfs/dbraw/zinc/82/54/75/489825475.db2.gz FGKJOGRKADYXSW-HNNXBMFYSA-N 1 3 351.499 0.856 20 0 FCADHO CCn1ncnc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000475419324 489825479 /nfs/dbraw/zinc/82/54/79/489825479.db2.gz FGKJOGRKADYXSW-HNNXBMFYSA-N 1 3 351.499 0.856 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419032708 489826832 /nfs/dbraw/zinc/82/68/32/489826832.db2.gz KKBCNPXPLWFJNN-AWEZNQCLSA-N 1 3 356.536 0.708 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419035369 489827315 /nfs/dbraw/zinc/82/73/15/489827315.db2.gz NZGXYQRVUVWADB-OAHLLOKOSA-N 1 3 368.547 0.723 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419035367 489827553 /nfs/dbraw/zinc/82/75/53/489827553.db2.gz NZGXYQRVUVWADB-HNNXBMFYSA-N 1 3 368.547 0.723 20 0 FCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000419038254 489829245 /nfs/dbraw/zinc/82/92/45/489829245.db2.gz FCOLCNKKKLQDOY-MRXNPFEDSA-N 1 3 356.511 0.482 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419073855 489846342 /nfs/dbraw/zinc/84/63/42/489846342.db2.gz CXUKXUBKWHPTPE-OAGGEKHMSA-N 1 3 354.495 0.332 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460082170 489847035 /nfs/dbraw/zinc/84/70/35/489847035.db2.gz ZVAOGUJHVSSPNQ-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460082170 489847038 /nfs/dbraw/zinc/84/70/38/489847038.db2.gz ZVAOGUJHVSSPNQ-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419078806 489848029 /nfs/dbraw/zinc/84/80/29/489848029.db2.gz LRVVRCNURXXIEY-INIZCTEOSA-N 1 3 368.522 0.724 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087552 489851360 /nfs/dbraw/zinc/85/13/60/489851360.db2.gz ZZJUYEXUXURQNO-RDJZCZTQSA-N 1 3 362.474 0.672 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)CC[NH3+])c1cccc(OC)c1 ZINC000419087228 489851483 /nfs/dbraw/zinc/85/14/83/489851483.db2.gz ZHFCPEXEQWYIJH-MRXNPFEDSA-N 1 3 350.463 0.611 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087553 489851789 /nfs/dbraw/zinc/85/17/89/489851789.db2.gz ZZJUYEXUXURQNO-WBVHZDCISA-N 1 3 362.474 0.672 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419095286 489854166 /nfs/dbraw/zinc/85/41/66/489854166.db2.gz ATZMNDGNNKHNFE-QBPKDAKJSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419095280 489854522 /nfs/dbraw/zinc/85/45/22/489854522.db2.gz ATZMNDGNNKHNFE-LTIDMASMSA-N 1 3 350.507 0.871 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1F ZINC000419117873 489862892 /nfs/dbraw/zinc/86/28/92/489862892.db2.gz QOHIKTUXBVRTSM-FUHWJXTLSA-N 1 3 374.460 0.822 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420031624 489887510 /nfs/dbraw/zinc/88/75/10/489887510.db2.gz HKAWPNWRGRTINR-ZFWWWQNUSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420043312 489891958 /nfs/dbraw/zinc/89/19/58/489891958.db2.gz RSAHSIMEDJIUAO-RRFJBIMHSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000420043312 489891960 /nfs/dbraw/zinc/89/19/60/489891960.db2.gz RSAHSIMEDJIUAO-RRFJBIMHSA-N 1 3 354.495 0.548 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433608757 489892956 /nfs/dbraw/zinc/89/29/56/489892956.db2.gz LPTUGCWJQCPXEI-DOTOQJQBSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433608757 489892961 /nfs/dbraw/zinc/89/29/61/489892961.db2.gz LPTUGCWJQCPXEI-DOTOQJQBSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433608761 489893196 /nfs/dbraw/zinc/89/31/96/489893196.db2.gz LPTUGCWJQCPXEI-RDJZCZTQSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433608761 489893201 /nfs/dbraw/zinc/89/32/01/489893201.db2.gz LPTUGCWJQCPXEI-RDJZCZTQSA-N 1 3 365.522 0.890 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064847 489899812 /nfs/dbraw/zinc/89/98/12/489899812.db2.gz OYHFQPWENXRXNK-GDBMZVCRSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420070671 489903800 /nfs/dbraw/zinc/90/38/00/489903800.db2.gz WXAAFADIDOTPKH-INIZCTEOSA-N 1 3 368.428 0.709 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420087413 489907290 /nfs/dbraw/zinc/90/72/90/489907290.db2.gz POQXRKICXBDWRY-IAGOWNOFSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420090102 489908053 /nfs/dbraw/zinc/90/80/53/489908053.db2.gz FYCMVRGQWOMACQ-XJKSGUPXSA-N 1 3 368.428 0.547 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420092242 489909768 /nfs/dbraw/zinc/90/97/68/489909768.db2.gz VRVXASSICUZTAB-JKSUJKDBSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420154892 489934187 /nfs/dbraw/zinc/93/41/87/489934187.db2.gz STUTXVSOTWTIQG-UHFFFAOYSA-N 1 3 362.449 0.752 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420160363 489936769 /nfs/dbraw/zinc/93/67/69/489936769.db2.gz UPUYUAMEQZWMEO-OAGGEKHMSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661139 489938535 /nfs/dbraw/zinc/93/85/35/489938535.db2.gz CRQRMJRWOCRSLD-WMZOPIPTSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661139 489938538 /nfs/dbraw/zinc/93/85/38/489938538.db2.gz CRQRMJRWOCRSLD-WMZOPIPTSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000377661139 489938539 /nfs/dbraw/zinc/93/85/39/489938539.db2.gz CRQRMJRWOCRSLD-WMZOPIPTSA-N 1 3 351.539 0.249 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000420188622 489945825 /nfs/dbraw/zinc/94/58/25/489945825.db2.gz FOWCPQSNRLYKHS-LSDHHAIUSA-N 1 3 350.463 0.722 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420190736 489946739 /nfs/dbraw/zinc/94/67/39/489946739.db2.gz HFVZSZAEUWAMBK-HOCLYGCPSA-N 1 3 364.465 0.960 20 0 FCADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000420348219 489965711 /nfs/dbraw/zinc/96/57/11/489965711.db2.gz KEOVGRRCLKXSDL-SNRMKQJTSA-N 1 3 360.502 0.420 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420407644 489972725 /nfs/dbraw/zinc/97/27/25/489972725.db2.gz UVVWYHSNHBQLMW-DOMZBBRYSA-N 1 3 357.524 0.952 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000420433786 489975536 /nfs/dbraw/zinc/97/55/36/489975536.db2.gz QTNHJESCKUOBLK-HNNXBMFYSA-N 1 3 357.524 0.811 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420441492 489977267 /nfs/dbraw/zinc/97/72/67/489977267.db2.gz VXDZMBXNIHLTSB-INIZCTEOSA-N 1 3 357.524 0.730 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000477625167 489979444 /nfs/dbraw/zinc/97/94/44/489979444.db2.gz HDNIHURRYDWVKI-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420459027 489980379 /nfs/dbraw/zinc/98/03/79/489980379.db2.gz CXFMPDOTGVUJNZ-LSDHHAIUSA-N 1 3 357.524 0.857 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000477683579 489983999 /nfs/dbraw/zinc/98/39/99/489983999.db2.gz PGUNTSYUBAPHLV-INIZCTEOSA-N 1 3 368.522 0.452 20 0 FCADHO CCc1cnccc1[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000571207628 491293044 /nfs/dbraw/zinc/29/30/44/491293044.db2.gz WLYRDEFEQALHNR-OAHLLOKOSA-N 1 3 363.506 0.773 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479202159 490072903 /nfs/dbraw/zinc/07/29/03/490072903.db2.gz BEJURKOVLFGJBG-QGZVFWFLSA-N 1 3 364.465 0.881 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)CC(O)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422042255 490130097 /nfs/dbraw/zinc/13/00/97/490130097.db2.gz VSGYYVBORXKCCJ-HOTGVXAUSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)CC(O)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422042255 490130104 /nfs/dbraw/zinc/13/01/04/490130104.db2.gz VSGYYVBORXKCCJ-HOTGVXAUSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422042251 490130712 /nfs/dbraw/zinc/13/07/12/490130712.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422042251 490130722 /nfs/dbraw/zinc/13/07/22/490130722.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCCN1C ZINC000422042251 490130729 /nfs/dbraw/zinc/13/07/29/490130729.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C[C@H](O)CC(=O)N(C)C[C@@H]1CCCN1C ZINC000422042251 490130736 /nfs/dbraw/zinc/13/07/36/490130736.db2.gz VSGYYVBORXKCCJ-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000546201472 490207365 /nfs/dbraw/zinc/20/73/65/490207365.db2.gz JEISACYWCLVACE-UHFFFAOYSA-N 1 3 360.462 0.136 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000571471106 491310092 /nfs/dbraw/zinc/31/00/92/491310092.db2.gz IWILATSYKOKNAS-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000571471106 491310093 /nfs/dbraw/zinc/31/00/93/491310093.db2.gz IWILATSYKOKNAS-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344038 490269474 /nfs/dbraw/zinc/26/94/74/490269474.db2.gz USASOMCAOFDZBE-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344038 490269483 /nfs/dbraw/zinc/26/94/83/490269483.db2.gz USASOMCAOFDZBE-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCN(c2nc(NC)nc(N3CCCN(CC)CC3)n2)CC1 ZINC000467781566 490338571 /nfs/dbraw/zinc/33/85/71/490338571.db2.gz BPNLCYRYDUFBQV-UHFFFAOYSA-N 1 3 362.526 0.399 20 0 FCADHO CCN1CCCN(c2nc(NC)nc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000467781566 490338577 /nfs/dbraw/zinc/33/85/77/490338577.db2.gz BPNLCYRYDUFBQV-UHFFFAOYSA-N 1 3 362.526 0.399 20 0 FCADHO CCN1CCCN(c2nc(NC)nc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000467781566 490338582 /nfs/dbraw/zinc/33/85/82/490338582.db2.gz BPNLCYRYDUFBQV-UHFFFAOYSA-N 1 3 362.526 0.399 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCN(C(C)=O)C3)CC2)CC1 ZINC000571654931 491321146 /nfs/dbraw/zinc/32/11/46/491321146.db2.gz UHZZKZKNAZZUFF-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(C)CCN(C)C)ccc1OCC[NH+](C)C ZINC000411338919 490432951 /nfs/dbraw/zinc/43/29/51/490432951.db2.gz KXSJHDFABCJUIJ-UHFFFAOYSA-N 1 3 350.463 0.894 20 0 FCADHO CCN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)C1=O ZINC000548283712 490457101 /nfs/dbraw/zinc/45/71/01/490457101.db2.gz NXDHOJAQZXQPQX-OAHLLOKOSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C(=O)CSCC(=O)N(C)C1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000535263358 490471887 /nfs/dbraw/zinc/47/18/87/490471887.db2.gz WEVVVNQVGKGEOF-UHFFFAOYSA-N 1 3 370.563 0.825 20 0 FCADHO CC[NH+]1CCC(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523630536 490480402 /nfs/dbraw/zinc/48/04/02/490480402.db2.gz SFVLXMDDJRNVIS-INIZCTEOSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422837261 490483637 /nfs/dbraw/zinc/48/36/37/490483637.db2.gz LRUVRSHFTVDYRG-RDJZCZTQSA-N 1 3 354.539 0.970 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000523776745 490495571 /nfs/dbraw/zinc/49/55/71/490495571.db2.gz PHKPEVCJLHBNGT-INIZCTEOSA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000523776745 490495578 /nfs/dbraw/zinc/49/55/78/490495578.db2.gz PHKPEVCJLHBNGT-INIZCTEOSA-N 1 3 367.538 0.912 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423058766 490531701 /nfs/dbraw/zinc/53/17/01/490531701.db2.gz DBFSJMDBSCTCHT-DLBZAZTESA-N 1 3 352.523 0.881 20 0 FCADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000485482530 490533888 /nfs/dbraw/zinc/53/38/88/490533888.db2.gz SVAGQBYMDFHTAH-IRXDYDNUSA-N 1 3 366.506 0.081 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423067362 490535081 /nfs/dbraw/zinc/53/50/81/490535081.db2.gz ZEXQGBZWLWQDOZ-SJORKVTESA-N 1 3 368.522 0.387 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499883 490536355 /nfs/dbraw/zinc/53/63/55/490536355.db2.gz DRDOKNWBPRLWDV-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499883 490536359 /nfs/dbraw/zinc/53/63/59/490536359.db2.gz DRDOKNWBPRLWDV-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000485509122 490536920 /nfs/dbraw/zinc/53/69/20/490536920.db2.gz XHQMWJKQCAVTHL-UHFFFAOYSA-N 1 3 366.506 0.300 20 0 FCADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510807370 490541567 /nfs/dbraw/zinc/54/15/67/490541567.db2.gz BOCLPQJNFPJYOD-IRXDYDNUSA-N 1 3 360.568 0.853 20 0 FCADHO C[C@@H](CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nccs1 ZINC000571884989 491335527 /nfs/dbraw/zinc/33/55/27/491335527.db2.gz PBNHSVSYSBLHPH-AWEZNQCLSA-N 1 3 369.535 0.657 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830066 490562088 /nfs/dbraw/zinc/56/20/88/490562088.db2.gz MTJOQLDZGABUSO-HOTGVXAUSA-N 1 3 363.510 0.206 20 0 FCADHO C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000536233633 490563416 /nfs/dbraw/zinc/56/34/16/490563416.db2.gz VNLZRBQZXSVHMZ-QGZVFWFLSA-N 1 3 368.570 0.195 20 0 FCADHO CN1CCN(CCCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524817934 490563742 /nfs/dbraw/zinc/56/37/42/490563742.db2.gz DRKTWCNQMWGHBL-NRFANRHFSA-N 1 3 374.529 0.767 20 0 FCADHO CN1CCN(CCCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524817934 490563745 /nfs/dbraw/zinc/56/37/45/490563745.db2.gz DRKTWCNQMWGHBL-NRFANRHFSA-N 1 3 374.529 0.767 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCCN1CCN(C)CC1 ZINC000524851870 490564540 /nfs/dbraw/zinc/56/45/40/490564540.db2.gz KDXCOBKYMDYDNG-GOSISDBHSA-N 1 3 354.539 0.923 20 0 FCADHO Cc1ccc(C(=O)NCCNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000524922146 490569806 /nfs/dbraw/zinc/56/98/06/490569806.db2.gz WCHBMCISSQFZOD-UHFFFAOYSA-N 1 3 363.506 0.860 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000556796038 491337230 /nfs/dbraw/zinc/33/72/30/491337230.db2.gz VCVOWGRNVZHWRW-SFHVURJKSA-N 1 3 360.502 0.954 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1=O ZINC000501628692 490626308 /nfs/dbraw/zinc/62/63/08/490626308.db2.gz JMUVAUBMDUJJKY-QGZVFWFLSA-N 1 3 352.523 0.977 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645987 490631076 /nfs/dbraw/zinc/63/10/76/490631076.db2.gz MVKHMZJKRPNDNY-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645987 490631086 /nfs/dbraw/zinc/63/10/86/490631086.db2.gz MVKHMZJKRPNDNY-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000525882704 490645923 /nfs/dbraw/zinc/64/59/23/490645923.db2.gz DWXPBGSDRQOPOU-UHFFFAOYSA-N 1 3 350.419 0.306 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000572001991 491342390 /nfs/dbraw/zinc/34/23/90/491342390.db2.gz XXCXOMRPEOQOAY-KGLIPLIRSA-N 1 3 350.463 0.485 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000537159584 490655152 /nfs/dbraw/zinc/65/51/52/490655152.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000537159584 490655157 /nfs/dbraw/zinc/65/51/57/490655157.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)COCC(=O)N1CCN(C)CC[C@@H]1C ZINC000537159584 490655159 /nfs/dbraw/zinc/65/51/59/490655159.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)COCC(=O)N1CCN(C)CC[C@@H]1C ZINC000537159584 490655165 /nfs/dbraw/zinc/65/51/65/490655165.db2.gz ZWKWZUUUWNSHDD-IYBDPMFKSA-N 1 3 354.495 0.108 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000564989350 491344480 /nfs/dbraw/zinc/34/44/80/491344480.db2.gz XSHXQIGIGVJXHX-CABCVRRESA-N 1 3 350.463 0.679 20 0 FCADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000526131848 490677292 /nfs/dbraw/zinc/67/72/92/490677292.db2.gz PJDOYNLNWNNECE-UHFFFAOYSA-N 1 3 366.462 0.594 20 0 FCADHO COC(=O)c1ccccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526132135 490678378 /nfs/dbraw/zinc/67/83/78/490678378.db2.gz DHKJPBSBEQEKAH-UHFFFAOYSA-N 1 3 364.446 0.364 20 0 FCADHO CC(=O)Nc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000526132002 490678495 /nfs/dbraw/zinc/67/84/95/490678495.db2.gz VKPJTODWOHRDIA-UHFFFAOYSA-N 1 3 363.462 0.535 20 0 FCADHO CC[NH+]1CCC(NC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512646912 490691920 /nfs/dbraw/zinc/69/19/20/490691920.db2.gz FHJVMJQFBASBCH-UHFFFAOYSA-N 1 3 355.527 0.160 20 0 FCADHO [NH3+]C1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000512954536 490704948 /nfs/dbraw/zinc/70/49/48/490704948.db2.gz IFSXWSQSERQFJV-UHFFFAOYSA-N 1 3 360.502 0.818 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C2)CC1 ZINC000557015091 491349606 /nfs/dbraw/zinc/34/96/06/491349606.db2.gz BFCQJIWTYSNGKR-IRXDYDNUSA-N 1 3 367.538 0.070 20 0 FCADHO Cc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cccc1-n1cnnn1 ZINC000527376799 490721781 /nfs/dbraw/zinc/72/17/81/490721781.db2.gz OKJLSTAQPODQLW-UHFFFAOYSA-N 1 3 360.466 0.928 20 0 FCADHO CN1CC=C(CNC(=O)CSCC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000538337263 490727166 /nfs/dbraw/zinc/72/71/66/490727166.db2.gz KTURIIGAKROHKI-UHFFFAOYSA-N 1 3 366.531 0.476 20 0 FCADHO CN1CC=C(CNC(=O)CSCC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000538337263 490727170 /nfs/dbraw/zinc/72/71/70/490727170.db2.gz KTURIIGAKROHKI-UHFFFAOYSA-N 1 3 366.531 0.476 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1CCCC1=O ZINC000565069752 491350317 /nfs/dbraw/zinc/35/03/17/491350317.db2.gz KSNOGAHNQRWJJG-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1CCCC1=O ZINC000565069752 491350318 /nfs/dbraw/zinc/35/03/18/491350318.db2.gz KSNOGAHNQRWJJG-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO Cc1sc2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)n2c1C ZINC000538429482 490734484 /nfs/dbraw/zinc/73/44/84/490734484.db2.gz NINNLTTWTNLHNM-UHFFFAOYSA-N 1 3 365.503 0.938 20 0 FCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000514663242 490779470 /nfs/dbraw/zinc/77/94/70/490779470.db2.gz HZUGRZLEGQFEDN-LSDHHAIUSA-N 1 3 359.465 0.795 20 0 FCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000514663242 490779477 /nfs/dbraw/zinc/77/94/77/490779477.db2.gz HZUGRZLEGQFEDN-LSDHHAIUSA-N 1 3 359.465 0.795 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000514951227 490799656 /nfs/dbraw/zinc/79/96/56/490799656.db2.gz LFCROGXRCBFSSE-HZPDHXFCSA-N 1 3 351.495 0.594 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000514951227 490799657 /nfs/dbraw/zinc/79/96/57/490799657.db2.gz LFCROGXRCBFSSE-HZPDHXFCSA-N 1 3 351.495 0.594 20 0 FCADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C1 ZINC000515062825 490806287 /nfs/dbraw/zinc/80/62/87/490806287.db2.gz FCAPADVAEXCIFI-HNNXBMFYSA-N 1 3 360.458 0.701 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000528728557 490822873 /nfs/dbraw/zinc/82/28/73/490822873.db2.gz CHMYETTXLVMSMW-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000528728557 490822875 /nfs/dbraw/zinc/82/28/75/490822875.db2.gz CHMYETTXLVMSMW-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC000565184923 491358428 /nfs/dbraw/zinc/35/84/28/491358428.db2.gz DVMLABDTRXWHBE-IAGOWNOFSA-N 1 3 366.506 0.332 20 0 FCADHO CC(C)[C@@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303546 490848582 /nfs/dbraw/zinc/84/85/82/490848582.db2.gz OIJXUOCYKPVZQM-HOTGVXAUSA-N 1 3 353.511 0.569 20 0 FCADHO CC(C)[C@@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303546 490848583 /nfs/dbraw/zinc/84/85/83/490848583.db2.gz OIJXUOCYKPVZQM-HOTGVXAUSA-N 1 3 353.511 0.569 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529367602 490856696 /nfs/dbraw/zinc/85/66/96/490856696.db2.gz RFOGNAQNBJNRJY-HNNXBMFYSA-N 1 3 351.495 0.467 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000516865149 490881562 /nfs/dbraw/zinc/88/15/62/490881562.db2.gz QQVXULMZBKGVKY-QGZVFWFLSA-N 1 3 374.489 0.188 20 0 FCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000516960685 490887528 /nfs/dbraw/zinc/88/75/28/490887528.db2.gz BTKBZKQPAKEARA-UHFFFAOYSA-N 1 3 360.502 0.706 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241523 490894992 /nfs/dbraw/zinc/89/49/92/490894992.db2.gz QNZSUOZJPONMNJ-CRAIPNDOSA-N 1 3 366.506 0.156 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243396 490895194 /nfs/dbraw/zinc/89/51/94/490895194.db2.gz XSUBYMOWFIUEMG-WMZOPIPTSA-N 1 3 352.523 0.630 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000517616451 490914492 /nfs/dbraw/zinc/91/44/92/490914492.db2.gz KWYDQNANWWELBI-IAGOWNOFSA-N 1 3 368.522 0.279 20 0 FCADHO CC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000517743833 490919022 /nfs/dbraw/zinc/91/90/22/490919022.db2.gz USYLLZLQPOUGDN-UHFFFAOYSA-N 1 3 351.495 0.420 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000517895534 490923681 /nfs/dbraw/zinc/92/36/81/490923681.db2.gz VEKIUSLMHKTBRL-GJZGRUSLSA-N 1 3 360.458 0.763 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000517895536 490923773 /nfs/dbraw/zinc/92/37/73/490923773.db2.gz VEKIUSLMHKTBRL-LSDHHAIUSA-N 1 3 360.458 0.763 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517892586 490923962 /nfs/dbraw/zinc/92/39/62/490923962.db2.gz YGSKWOFLNPNZMQ-INIZCTEOSA-N 1 3 358.442 0.804 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000518290682 490936148 /nfs/dbraw/zinc/93/61/48/490936148.db2.gz MJAANXCMJISDSD-UHFFFAOYSA-N 1 3 353.511 0.714 20 0 FCADHO COCC1CCC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000518360177 490938017 /nfs/dbraw/zinc/93/80/17/490938017.db2.gz RFJLWFJIBNDDPK-UHFFFAOYSA-N 1 3 356.511 0.260 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000531118522 490941679 /nfs/dbraw/zinc/94/16/79/490941679.db2.gz PUFBRLLQBNMWOX-UHFFFAOYSA-N 1 3 364.446 0.097 20 0 FCADHO CC(=O)N1CC[C@@](C)(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000531324167 490952248 /nfs/dbraw/zinc/95/22/48/490952248.db2.gz MTYQIOVTWUUQHT-LJQANCHMSA-N 1 3 350.507 0.920 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797895 490952318 /nfs/dbraw/zinc/95/23/18/490952318.db2.gz YGJZUMCIWSPKEF-IAGOWNOFSA-N 1 3 363.506 0.737 20 0 FCADHO CN1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000531364874 490953898 /nfs/dbraw/zinc/95/38/98/490953898.db2.gz BISQOZFGTWNWBQ-MRXNPFEDSA-N 1 3 351.495 0.465 20 0 FCADHO CN1CCN(CCCCNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000531366150 490954645 /nfs/dbraw/zinc/95/46/45/490954645.db2.gz OHYQJCVASKOGRS-QGZVFWFLSA-N 1 3 357.568 0.751 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](CO)O[C@@H](C)C3)CC2)CC1 ZINC000519612361 490979360 /nfs/dbraw/zinc/97/93/60/490979360.db2.gz LUNABBZHCXAPRH-MAUKXSAKSA-N 1 3 353.507 0.791 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531935305 490981189 /nfs/dbraw/zinc/98/11/89/490981189.db2.gz YUEHXSPKPGCUAC-ROUUACIJSA-N 1 3 369.554 0.765 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C(=O)NCC[C@H]3C)CC2)CC1 ZINC000519649359 490982152 /nfs/dbraw/zinc/98/21/52/490982152.db2.gz MMINNEWLGCLBAM-PBHICJAKSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067610 490985144 /nfs/dbraw/zinc/98/51/44/490985144.db2.gz PSZMVTUJTJUEMP-NVXWUHKLSA-N 1 3 365.522 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067610 490985148 /nfs/dbraw/zinc/98/51/48/490985148.db2.gz PSZMVTUJTJUEMP-NVXWUHKLSA-N 1 3 365.522 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067612 490985364 /nfs/dbraw/zinc/98/53/64/490985364.db2.gz PSZMVTUJTJUEMP-WBVHZDCISA-N 1 3 365.522 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000532067612 490985365 /nfs/dbraw/zinc/98/53/65/490985365.db2.gz PSZMVTUJTJUEMP-WBVHZDCISA-N 1 3 365.522 0.665 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315167 490990871 /nfs/dbraw/zinc/99/08/71/490990871.db2.gz NXRLDAAKOHANBR-RHSMWYFYSA-N 1 3 365.522 0.711 20 0 FCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000569499787 491164560 /nfs/dbraw/zinc/16/45/60/491164560.db2.gz YQSMSQIPKWXGHR-UHFFFAOYSA-N 1 3 370.538 0.791 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C ZINC000554029327 491170910 /nfs/dbraw/zinc/17/09/10/491170910.db2.gz GKDCGXIPDJVQFP-JKSUJKDBSA-N 1 3 368.522 0.545 20 0 FCADHO Cc1cn(C)c(CC(=O)N[C@@H](C)C[NH+](C)C)c1C(=O)N[C@@H](C)CN(C)C ZINC000554135293 491179845 /nfs/dbraw/zinc/17/98/45/491179845.db2.gz CIWBQQAJVWUFNE-GJZGRUSLSA-N 1 3 365.522 0.622 20 0 FCADHO Cc1cn(C)c(CC(=O)N[C@@H](C)CN(C)C)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000554135293 491179848 /nfs/dbraw/zinc/17/98/48/491179848.db2.gz CIWBQQAJVWUFNE-GJZGRUSLSA-N 1 3 365.522 0.622 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540229 491383402 /nfs/dbraw/zinc/38/34/02/491383402.db2.gz MTCRJODAVWWSGM-WBVHZDCISA-N 1 3 374.485 0.390 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565668535 491392368 /nfs/dbraw/zinc/39/23/68/491392368.db2.gz BPBCXQKIKSZAOI-OAGGEKHMSA-N 1 3 351.495 0.308 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565668535 491392370 /nfs/dbraw/zinc/39/23/70/491392370.db2.gz BPBCXQKIKSZAOI-OAGGEKHMSA-N 1 3 351.495 0.308 20 0 FCADHO Cc1cc(C)cc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000557825110 491399255 /nfs/dbraw/zinc/39/92/55/491399255.db2.gz PSVOUWBSWZTOQU-UHFFFAOYSA-N 1 3 362.518 0.914 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000566004796 491411600 /nfs/dbraw/zinc/41/16/00/491411600.db2.gz DOTTZOZKOKEEAG-ZWKOTPCHSA-N 1 3 358.486 0.835 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000558412996 491429491 /nfs/dbraw/zinc/42/94/91/491429491.db2.gz XCVPNTFKUGYEHE-CVEARBPZSA-N 1 3 350.507 0.847 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000558412996 491429493 /nfs/dbraw/zinc/42/94/93/491429493.db2.gz XCVPNTFKUGYEHE-CVEARBPZSA-N 1 3 350.507 0.847 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573476568 491436101 /nfs/dbraw/zinc/43/61/01/491436101.db2.gz SOFZCGDPECVJIS-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C[NH+]1CCCC1 ZINC000566348244 491438325 /nfs/dbraw/zinc/43/83/25/491438325.db2.gz QZPBJIYWTLKQFN-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CCN2C1=O ZINC000566512662 491450604 /nfs/dbraw/zinc/45/06/04/491450604.db2.gz NHIUZAAZISOZLG-ZWKOTPCHSA-N 1 3 371.485 0.736 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000566739717 491464232 /nfs/dbraw/zinc/46/42/32/491464232.db2.gz IJSZTSWTFIAVRI-OWCLPIDISA-N 1 3 351.495 0.319 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412745 491471291 /nfs/dbraw/zinc/47/12/91/491471291.db2.gz UOSOYOSZMYQXMP-QZTJIDSGSA-N 1 3 360.502 0.828 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569551 491482066 /nfs/dbraw/zinc/48/20/66/491482066.db2.gz ZDQDBWDDWAUWPP-CABCVRRESA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559588532 491483017 /nfs/dbraw/zinc/48/30/17/491483017.db2.gz OMRLXMBZEZDVMV-HNNXBMFYSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559588532 491483019 /nfs/dbraw/zinc/48/30/19/491483019.db2.gz OMRLXMBZEZDVMV-HNNXBMFYSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000559763627 491497503 /nfs/dbraw/zinc/49/75/03/491497503.db2.gz QUOKPPUAGSKDIS-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000559763627 491497504 /nfs/dbraw/zinc/49/75/04/491497504.db2.gz QUOKPPUAGSKDIS-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000559868914 491506695 /nfs/dbraw/zinc/50/66/95/491506695.db2.gz YDYDMRDURGHKFN-CPUCHLNUSA-N 1 3 356.536 0.339 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000559868914 491506698 /nfs/dbraw/zinc/50/66/98/491506698.db2.gz YDYDMRDURGHKFN-CPUCHLNUSA-N 1 3 356.536 0.339 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000559923079 491510153 /nfs/dbraw/zinc/51/01/53/491510153.db2.gz PFWMQOWOWZHCCK-QGZVFWFLSA-N 1 3 368.522 0.261 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000559928909 491510868 /nfs/dbraw/zinc/51/08/68/491510868.db2.gz UDNROYPOGOWJMX-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000559928909 491510869 /nfs/dbraw/zinc/51/08/69/491510869.db2.gz UDNROYPOGOWJMX-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@H]3C(=O)OC)CC2)CC1 ZINC000574701508 491514574 /nfs/dbraw/zinc/51/45/74/491514574.db2.gz DMUZMSDMUFAJPB-QGZVFWFLSA-N 1 3 367.490 0.583 20 0 FCADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574808877 491521442 /nfs/dbraw/zinc/52/14/42/491521442.db2.gz ICBIZVMLDKRAHW-RBUKOAKNSA-N 1 3 357.502 0.800 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000568017454 491547523 /nfs/dbraw/zinc/54/75/23/491547523.db2.gz PDBDTVCYQOVALY-KRWDZBQOSA-N 1 3 368.522 0.594 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000568292320 491567541 /nfs/dbraw/zinc/56/75/41/491567541.db2.gz KFGHTBUBVBGASX-AWEZNQCLSA-N 1 3 352.504 0.884 20 0 FCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000668420653 493351468 /nfs/dbraw/zinc/35/14/68/493351468.db2.gz IPEMRFHDAXIODY-UHFFFAOYSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000576044288 491577927 /nfs/dbraw/zinc/57/79/27/491577927.db2.gz NZYGNCUDYKSAJE-SQNIBIBYSA-N 1 3 372.517 0.835 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NCCN(C)CCOC)CC2)CC1 ZINC000561225441 491585833 /nfs/dbraw/zinc/58/58/33/491585833.db2.gz MIYJJKSHPVIZMX-UHFFFAOYSA-N 1 3 354.539 0.877 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1ccccc1F ZINC000568629064 491594081 /nfs/dbraw/zinc/59/40/81/491594081.db2.gz WXTOFSMTCISXJD-GOEBONIOSA-N 1 3 358.421 0.909 20 0 FCADHO CCOC(=O)CC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000577172175 491597825 /nfs/dbraw/zinc/59/78/25/491597825.db2.gz KVFOBNCPHNKGCU-MRXNPFEDSA-N 1 3 357.495 0.077 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540967 491602432 /nfs/dbraw/zinc/60/24/32/491602432.db2.gz RHKSVBJRSKQGDG-RYQLBKOJSA-N 1 3 374.460 0.808 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540967 491602435 /nfs/dbraw/zinc/60/24/35/491602435.db2.gz RHKSVBJRSKQGDG-RYQLBKOJSA-N 1 3 374.460 0.808 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561424949 491606748 /nfs/dbraw/zinc/60/67/48/491606748.db2.gz GDTDOHOZBXGYKU-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000561424949 491606749 /nfs/dbraw/zinc/60/67/49/491606749.db2.gz GDTDOHOZBXGYKU-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000568766661 491607996 /nfs/dbraw/zinc/60/79/96/491607996.db2.gz DPJVDDYGEQGLOA-GVDBMIGSSA-N 1 3 350.507 0.968 20 0 FCADHO COCC[NH+]1CCC(NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000568795692 491610716 /nfs/dbraw/zinc/61/07/16/491610716.db2.gz BDTPLIJRPYCTJT-INIZCTEOSA-N 1 3 362.540 0.348 20 0 FCADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471841 491611711 /nfs/dbraw/zinc/61/17/11/491611711.db2.gz KUJYQFQLQZEKRY-HNNXBMFYSA-N 1 3 365.522 0.855 20 0 FCADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471841 491611713 /nfs/dbraw/zinc/61/17/13/491611713.db2.gz KUJYQFQLQZEKRY-HNNXBMFYSA-N 1 3 365.522 0.855 20 0 FCADHO CC(=O)Nc1ccc(OC[C@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000568983523 491624497 /nfs/dbraw/zinc/62/44/97/491624497.db2.gz KMUGWNVWZBPWLP-GOSISDBHSA-N 1 3 365.474 0.821 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000576663925 491634216 /nfs/dbraw/zinc/63/42/16/491634216.db2.gz NYJJQICALXPLQD-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000576663925 491634219 /nfs/dbraw/zinc/63/42/19/491634219.db2.gz NYJJQICALXPLQD-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CCN(C)C[C@H](O)C[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000577646068 491639533 /nfs/dbraw/zinc/63/95/33/491639533.db2.gz DSTZEULZWPPTIG-SFHVURJKSA-N 1 3 354.539 0.565 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCN1C ZINC000561997896 491645409 /nfs/dbraw/zinc/64/54/09/491645409.db2.gz XROVUMXUPSVTTI-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCN1C ZINC000561997896 491645410 /nfs/dbraw/zinc/64/54/10/491645410.db2.gz XROVUMXUPSVTTI-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001718 491645613 /nfs/dbraw/zinc/64/56/13/491645613.db2.gz OOSDDZPSSASEEV-CABCVRRESA-N 1 3 350.463 0.769 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001718 491645616 /nfs/dbraw/zinc/64/56/16/491645616.db2.gz OOSDDZPSSASEEV-CABCVRRESA-N 1 3 350.463 0.769 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849742 491650538 /nfs/dbraw/zinc/65/05/38/491650538.db2.gz DJPBWHOLFRYOLJ-MLHJIOFPSA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849742 491650542 /nfs/dbraw/zinc/65/05/42/491650542.db2.gz DJPBWHOLFRYOLJ-MLHJIOFPSA-N 1 3 374.460 0.822 20 0 FCADHO CN1CCN(CC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1(C)C ZINC000577842195 491656221 /nfs/dbraw/zinc/65/62/21/491656221.db2.gz MOEUAMCHKMZUBA-OAHLLOKOSA-N 1 3 374.485 0.259 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000578095637 491669920 /nfs/dbraw/zinc/66/99/20/491669920.db2.gz YAMIZPNQHXKQHX-IAGOWNOFSA-N 1 3 366.506 0.035 20 0 FCADHO C[C@@H]1CC2(CN1CC(=O)N1CCN(c3cnccn3)CC1)CC[NH2+]CC2 ZINC000578231601 491672677 /nfs/dbraw/zinc/67/26/77/491672677.db2.gz PVULZSOQNMREQL-MRXNPFEDSA-N 1 3 358.490 0.589 20 0 FCADHO C[C@@H]1CN(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000578865706 491686001 /nfs/dbraw/zinc/68/60/01/491686001.db2.gz FRRJBUMJALXFHJ-CRAIPNDOSA-N 1 3 351.495 0.263 20 0 FCADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000579091385 491690666 /nfs/dbraw/zinc/69/06/66/491690666.db2.gz SPJBEEQHVFFSMG-MOPGFXCFSA-N 1 3 374.533 0.981 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579147906 491691967 /nfs/dbraw/zinc/69/19/67/491691967.db2.gz WZWVIIQZNCHMMK-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147906 491691968 /nfs/dbraw/zinc/69/19/68/491691968.db2.gz WZWVIIQZNCHMMK-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)Cc2ccccc2C1 ZINC000579377862 491696966 /nfs/dbraw/zinc/69/69/66/491696966.db2.gz BQPZPRJFGMGPKD-DLBZAZTESA-N 1 3 371.485 0.039 20 0 FCADHO Cc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)[NH+](C)C)cc1 ZINC000579616261 491701791 /nfs/dbraw/zinc/70/17/91/491701791.db2.gz KPXOEBSSKPNSAO-ULQDDVLXSA-N 1 3 359.474 0.551 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000579822497 491706064 /nfs/dbraw/zinc/70/60/64/491706064.db2.gz WHEFFQVPKIIPLP-SQNIBIBYSA-N 1 3 362.518 0.921 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000580073708 491716312 /nfs/dbraw/zinc/71/63/12/491716312.db2.gz PSWQPNYEYYPDKC-CABCVRRESA-N 1 3 355.508 0.434 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCc1cccs1 ZINC000580165585 491719766 /nfs/dbraw/zinc/71/97/66/491719766.db2.gz KQQHBKDZZQNBND-UHFFFAOYSA-N 1 3 354.520 0.701 20 0 FCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000581067253 491757930 /nfs/dbraw/zinc/75/79/30/491757930.db2.gz FRJHXKTUZWJSPV-DLBZAZTESA-N 1 3 362.518 0.920 20 0 FCADHO CC[N@H+](C)C[C@@H](O)CN1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080602 491758343 /nfs/dbraw/zinc/75/83/43/491758343.db2.gz WDOWSUFWCFEYAD-FGTMMUONSA-N 1 3 357.539 0.889 20 0 FCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080602 491758345 /nfs/dbraw/zinc/75/83/45/491758345.db2.gz WDOWSUFWCFEYAD-FGTMMUONSA-N 1 3 357.539 0.889 20 0 FCADHO CCN(C)C[C@@H](O)C[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080602 491758347 /nfs/dbraw/zinc/75/83/47/491758347.db2.gz WDOWSUFWCFEYAD-FGTMMUONSA-N 1 3 357.539 0.889 20 0 FCADHO CN1CCN(c2ncc(CN3CCC[C@H]([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000581199876 491763874 /nfs/dbraw/zinc/76/38/74/491763874.db2.gz KMHPJBNXALBVNX-IBGZPJMESA-N 1 3 374.533 0.915 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCCN(C)CCOC)CC1 ZINC000581500210 491775558 /nfs/dbraw/zinc/77/55/58/491775558.db2.gz JXYFXTILUQPFAQ-UHFFFAOYSA-N 1 3 371.526 0.245 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000581613736 491779961 /nfs/dbraw/zinc/77/99/61/491779961.db2.gz UYLCJCLJGYUNPZ-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000581613736 491779962 /nfs/dbraw/zinc/77/99/62/491779962.db2.gz UYLCJCLJGYUNPZ-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO COc1cccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000581940539 491791190 /nfs/dbraw/zinc/79/11/90/491791190.db2.gz OYYOJLRAAQWXHH-QZTJIDSGSA-N 1 3 374.485 0.817 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC000581952625 491791867 /nfs/dbraw/zinc/79/18/67/491791867.db2.gz QCWLSVLSTKGBOP-LJQANCHMSA-N 1 3 367.490 0.631 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668501088 493365715 /nfs/dbraw/zinc/36/57/15/493365715.db2.gz IZSDVYMFAVEDDY-RDJZCZTQSA-N 1 3 366.506 0.347 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)CC(C)C ZINC000582976829 491835044 /nfs/dbraw/zinc/83/50/44/491835044.db2.gz UXYKILHHHPDOAE-HRCADAONSA-N 1 3 353.511 0.696 20 0 FCADHO CCN1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000583450336 491845261 /nfs/dbraw/zinc/84/52/61/491845261.db2.gz NAFWKGHSZAEPKY-UHFFFAOYSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)c1csc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000583463404 491845557 /nfs/dbraw/zinc/84/55/57/491845557.db2.gz ZXNPQJPVPQFGKY-UHFFFAOYSA-N 1 3 369.535 0.835 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000583823937 491852880 /nfs/dbraw/zinc/85/28/80/491852880.db2.gz NLKZCOHPTBXACK-QGZVFWFLSA-N 1 3 362.474 0.201 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000611642293 491864644 /nfs/dbraw/zinc/86/46/44/491864644.db2.gz WQKJRAIHPMAPOJ-JYJNAYRXSA-N 1 3 350.507 0.964 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000611954462 491884920 /nfs/dbraw/zinc/88/49/20/491884920.db2.gz BSBKEDZJOGUVAO-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000611954462 491884923 /nfs/dbraw/zinc/88/49/23/491884923.db2.gz BSBKEDZJOGUVAO-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccco1 ZINC000595263272 491908739 /nfs/dbraw/zinc/90/87/39/491908739.db2.gz RMAGFJDYDWHJJV-LJISPDSOSA-N 1 3 363.462 0.662 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595266489 491909063 /nfs/dbraw/zinc/90/90/63/491909063.db2.gz WYSUCGSMPHZBKX-QXSJWSMHSA-N 1 3 351.495 0.308 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595266489 491909066 /nfs/dbraw/zinc/90/90/66/491909066.db2.gz WYSUCGSMPHZBKX-QXSJWSMHSA-N 1 3 351.495 0.308 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612485778 491924915 /nfs/dbraw/zinc/92/49/15/491924915.db2.gz JESZRHNLQIKZLT-KRWDZBQOSA-N 1 3 373.501 0.967 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599631 491937975 /nfs/dbraw/zinc/93/79/75/491937975.db2.gz ZQSMTANEXCCTSS-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599631 491937977 /nfs/dbraw/zinc/93/79/77/491937977.db2.gz ZQSMTANEXCCTSS-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000612781246 491950731 /nfs/dbraw/zinc/95/07/31/491950731.db2.gz UDKXUVXDWXEDSF-SFHVURJKSA-N 1 3 362.518 0.921 20 0 FCADHO O=C(NC1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612911836 491958137 /nfs/dbraw/zinc/95/81/37/491958137.db2.gz QGZQRBVMHLJHOA-CQSZACIVSA-N 1 3 361.494 0.460 20 0 FCADHO C[C@@H](CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)[NH+](C)C ZINC000612908814 491958201 /nfs/dbraw/zinc/95/82/01/491958201.db2.gz PLCJUQYEFYTNJJ-GJZGRUSLSA-N 1 3 363.510 0.658 20 0 FCADHO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916027 491958444 /nfs/dbraw/zinc/95/84/44/491958444.db2.gz UXJDOBCNPZDJEW-CABCVRRESA-N 1 3 361.494 0.460 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974022 491960688 /nfs/dbraw/zinc/96/06/88/491960688.db2.gz NNLBASVWTANSOS-LSDHHAIUSA-N 1 3 351.495 0.370 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506787 491990321 /nfs/dbraw/zinc/99/03/21/491990321.db2.gz PKKWJWROHMUDCQ-PKOBYXMFSA-N 1 3 360.502 0.803 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC(N3CCOC[C@H]3C)CC2)CC1 ZINC000615089652 492072466 /nfs/dbraw/zinc/07/24/66/492072466.db2.gz LYDHMPRQVYOMFC-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO CC[NH+]1CCN(CCC(=O)N2CCC(N3CCOC[C@H]3C)CC2)CC1 ZINC000615089652 492072469 /nfs/dbraw/zinc/07/24/69/492072469.db2.gz LYDHMPRQVYOMFC-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)CC(=O)OC)CC2)CC1 ZINC000600454429 492271047 /nfs/dbraw/zinc/27/10/47/492271047.db2.gz HQJGADNYRRLZCM-MRXNPFEDSA-N 1 3 355.479 0.223 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])cc1F ZINC000641822892 492310494 /nfs/dbraw/zinc/31/04/94/492310494.db2.gz XSDDCFAGGQHRJF-UHFFFAOYSA-N 1 3 354.426 0.948 20 0 FCADHO O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485722 492313741 /nfs/dbraw/zinc/31/37/41/492313741.db2.gz WSKHXFMSLKWQME-FPOVZHCZSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485722 492313745 /nfs/dbraw/zinc/31/37/45/492313745.db2.gz WSKHXFMSLKWQME-FPOVZHCZSA-N 1 3 373.497 0.681 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642373602 492356495 /nfs/dbraw/zinc/35/64/95/492356495.db2.gz RVIOQBIDOUMWKE-USXIJHARSA-N 1 3 362.474 0.103 20 0 FCADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCN1CC[NH2+]CC1 ZINC000647835374 492368845 /nfs/dbraw/zinc/36/88/45/492368845.db2.gz VWEVRALDTXYMTA-UHFFFAOYSA-N 1 3 373.501 0.979 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000642686180 492373610 /nfs/dbraw/zinc/37/36/10/492373610.db2.gz MQDDAKGRMHFNMT-INIZCTEOSA-N 1 3 362.474 0.502 20 0 FCADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937830 492385658 /nfs/dbraw/zinc/38/56/58/492385658.db2.gz CSUOZRICIRSFHW-DOMZBBRYSA-N 1 3 354.476 0.722 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000642785805 492391554 /nfs/dbraw/zinc/39/15/54/492391554.db2.gz LZLCTXSKOAVNPG-KSZLIROESA-N 1 3 362.518 0.968 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000642785679 492392084 /nfs/dbraw/zinc/39/20/84/492392084.db2.gz CTROOHISGBYRTL-OKZBNKHCSA-N 1 3 374.460 0.679 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000642801800 492395805 /nfs/dbraw/zinc/39/58/05/492395805.db2.gz FNMAXHZHPSHMHO-CRAIPNDOSA-N 1 3 374.485 0.342 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981892 492410096 /nfs/dbraw/zinc/41/00/96/492410096.db2.gz KRTVGQCBIIJPJT-KRWDZBQOSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981893 492410663 /nfs/dbraw/zinc/41/06/63/492410663.db2.gz KRTVGQCBIIJPJT-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO O=C([C@@H]1CNCCOC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000648179140 492412882 /nfs/dbraw/zinc/41/28/82/492412882.db2.gz GERDGAOMQKQYNC-MRXNPFEDSA-N 1 3 361.490 0.819 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839152 492422295 /nfs/dbraw/zinc/42/22/95/492422295.db2.gz OMYRUIIECNBOPH-HNAYVOBHSA-N 1 3 366.506 0.332 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621838779 492422354 /nfs/dbraw/zinc/42/23/54/492422354.db2.gz JDJOICSSXUHRJX-VCBZYWHSSA-N 1 3 350.507 0.953 20 0 FCADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1(N3CCCC3)CCOCC1)C2 ZINC000621845158 492425502 /nfs/dbraw/zinc/42/55/02/492425502.db2.gz CPXWIWJSOBTNDD-DNVCBOLYSA-N 1 3 364.490 0.087 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655446318 492443213 /nfs/dbraw/zinc/44/32/13/492443213.db2.gz NTKIWSBJRHJPQV-XLIONFOSSA-N 1 3 358.486 0.984 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655446317 492443391 /nfs/dbraw/zinc/44/33/91/492443391.db2.gz NTKIWSBJRHJPQV-PXNSSMCTSA-N 1 3 358.486 0.984 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000643494597 492481579 /nfs/dbraw/zinc/48/15/79/492481579.db2.gz HRHZSGRGVSAYTH-XHSDSOJGSA-N 1 3 352.479 0.038 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC(C)([NH3+])CC2)o1 ZINC000643494309 492481917 /nfs/dbraw/zinc/48/19/17/492481917.db2.gz PQMARXIPOXGLFB-UHFFFAOYSA-N 1 3 350.463 0.818 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504145 492483943 /nfs/dbraw/zinc/48/39/43/492483943.db2.gz FTXNCJLXODNBOC-KURKYZTESA-N 1 3 362.518 0.921 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000643531800 492491447 /nfs/dbraw/zinc/49/14/47/492491447.db2.gz LRCARXOKQHFKJE-SZMVWBNQSA-N 1 3 374.485 0.294 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000643580973 492499466 /nfs/dbraw/zinc/49/94/66/492499466.db2.gz ILTIVRCEDGDTND-QGZVFWFLSA-N 1 3 350.507 0.923 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H](N)C3)C2)C1 ZINC000643594089 492503873 /nfs/dbraw/zinc/50/38/73/492503873.db2.gz BOWPAYFFYGSSEU-VPWXQRGCSA-N 1 3 374.460 0.633 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H](N)C3)C2)C1 ZINC000643594089 492503877 /nfs/dbraw/zinc/50/38/77/492503877.db2.gz BOWPAYFFYGSSEU-VPWXQRGCSA-N 1 3 374.460 0.633 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H]([NH3+])C3)C[C@@H]21 ZINC000643594256 492503925 /nfs/dbraw/zinc/50/39/25/492503925.db2.gz WHMRRDUVOAAYEK-UOJCXKCYSA-N 1 3 360.433 0.241 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649328249 492535319 /nfs/dbraw/zinc/53/53/19/492535319.db2.gz ILKPESKQBFSOKG-CYBMUJFWSA-N 1 3 350.467 0.432 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347178 492543058 /nfs/dbraw/zinc/54/30/58/492543058.db2.gz JHGGPLNQXHGRBX-UONOGXRCSA-N 1 3 356.430 0.782 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363566 492548318 /nfs/dbraw/zinc/54/83/18/492548318.db2.gz GEZDOWYMCOXEEI-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656294482 492573838 /nfs/dbraw/zinc/57/38/38/492573838.db2.gz AZMGMEIJWUQEGF-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656294482 492573840 /nfs/dbraw/zinc/57/38/40/492573840.db2.gz AZMGMEIJWUQEGF-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623725398 492587028 /nfs/dbraw/zinc/58/70/28/492587028.db2.gz YAWAQFNMSWKMGT-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623725398 492587032 /nfs/dbraw/zinc/58/70/32/492587032.db2.gz YAWAQFNMSWKMGT-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656320898 492591643 /nfs/dbraw/zinc/59/16/43/492591643.db2.gz XCMYJMUQXZTFAM-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656320898 492591646 /nfs/dbraw/zinc/59/16/46/492591646.db2.gz XCMYJMUQXZTFAM-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357857 492611477 /nfs/dbraw/zinc/61/14/77/492611477.db2.gz HHYYHMDMDJZIJY-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357857 492611481 /nfs/dbraw/zinc/61/14/81/492611481.db2.gz HHYYHMDMDJZIJY-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000629558954 492644700 /nfs/dbraw/zinc/64/47/00/492644700.db2.gz OALMUONVSLOQAA-IBGZPJMESA-N 1 3 360.502 0.772 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1CC[NH+](C)CC1 ZINC000636665019 492653769 /nfs/dbraw/zinc/65/37/69/492653769.db2.gz YTMCYZINTRMMBV-PBHICJAKSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC000629813262 492685219 /nfs/dbraw/zinc/68/52/19/492685219.db2.gz IRMZRWMTYQSZNS-LPWJVIDDSA-N 1 3 362.396 0.135 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC000629813265 492685363 /nfs/dbraw/zinc/68/53/63/492685363.db2.gz IRMZRWMTYQSZNS-XQHKEYJVSA-N 1 3 362.396 0.135 20 0 FCADHO Cc1cccc(N2CC[NH+](CCC(=O)NCCN3CC[C@H](O)C3)CC2)c1 ZINC000629914289 492703024 /nfs/dbraw/zinc/70/30/24/492703024.db2.gz NAMMERIJNUQDLD-IBGZPJMESA-N 1 3 360.502 0.690 20 0 FCADHO O=C(C[C@]1(O)CCC[N@H+](Cc2ccccc2)C1)NCCN1CC[C@H](O)C1 ZINC000629917591 492704755 /nfs/dbraw/zinc/70/47/55/492704755.db2.gz GNSZHLHTJVVWFZ-AZUAARDMSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(C[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1)NCCN1CC[C@H](O)C1 ZINC000629917591 492704757 /nfs/dbraw/zinc/70/47/57/492704757.db2.gz GNSZHLHTJVVWFZ-AZUAARDMSA-N 1 3 361.486 0.586 20 0 FCADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644339087 492714115 /nfs/dbraw/zinc/71/41/15/492714115.db2.gz VFBXBTQHMVNUIE-BBWFWOEESA-N 1 3 354.495 0.384 20 0 FCADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644339087 492714117 /nfs/dbraw/zinc/71/41/17/492714117.db2.gz VFBXBTQHMVNUIE-BBWFWOEESA-N 1 3 354.495 0.384 20 0 FCADHO Cc1ncc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000637229454 492794057 /nfs/dbraw/zinc/79/40/57/492794057.db2.gz QVZBRIKACUIVNV-GFCCVEGCSA-N 1 3 355.508 0.581 20 0 FCADHO CCn1nncc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000637298264 492807267 /nfs/dbraw/zinc/80/72/67/492807267.db2.gz IIZPLXCBTGQXTH-OAHLLOKOSA-N 1 3 351.499 0.856 20 0 FCADHO CCn1nncc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000637298264 492807269 /nfs/dbraw/zinc/80/72/69/492807269.db2.gz IIZPLXCBTGQXTH-OAHLLOKOSA-N 1 3 351.499 0.856 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000637669516 492856692 /nfs/dbraw/zinc/85/66/92/492856692.db2.gz NBGAJWRDLJTFIW-INIZCTEOSA-N 1 3 350.467 0.944 20 0 FCADHO C[C@H](CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1)[NH+](C)C ZINC000658429148 492886528 /nfs/dbraw/zinc/88/65/28/492886528.db2.gz VVHLRUGTBHDEIM-CYBMUJFWSA-N 1 3 350.467 0.545 20 0 FCADHO C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)CN1CCN(C)CC1 ZINC000652158562 492889120 /nfs/dbraw/zinc/88/91/20/492889120.db2.gz FPOQEKOUDJEESW-CQSZACIVSA-N 1 3 351.470 0.967 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631980983 492902680 /nfs/dbraw/zinc/90/26/80/492902680.db2.gz KNFRXAMSHHCUQN-ZBFHGGJFSA-N 1 3 355.508 0.482 20 0 FCADHO CC1(C)CN(C2(CNC(=O)CN3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000638111707 492908151 /nfs/dbraw/zinc/90/81/51/492908151.db2.gz GDAWHOASAVKGHE-UHFFFAOYSA-N 1 3 352.523 0.822 20 0 FCADHO O=C(CN1CC[NH2+]CC1)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000638109273 492908168 /nfs/dbraw/zinc/90/81/68/492908168.db2.gz SQROQKVAZJAIRY-UHFFFAOYSA-N 1 3 373.501 0.034 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652347972 492913182 /nfs/dbraw/zinc/91/31/82/492913182.db2.gz QLNFPZIYAPBVBG-FJIDUMEYSA-N 1 3 366.506 0.332 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638134718 492914191 /nfs/dbraw/zinc/91/41/91/492914191.db2.gz OFJFHCKZBFJVLI-JLLWLGSASA-N 1 3 354.405 0.963 20 0 FCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000638137086 492915753 /nfs/dbraw/zinc/91/57/53/492915753.db2.gz RDXRGXVUJHHVKI-QUCCMNQESA-N 1 3 360.502 0.817 20 0 FCADHO CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652360470 492916371 /nfs/dbraw/zinc/91/63/71/492916371.db2.gz IXKGODCUJAVFMO-BBWFWOEESA-N 1 3 352.479 0.038 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652384489 492921283 /nfs/dbraw/zinc/92/12/83/492921283.db2.gz ASMLRHOCZKNACS-UHFFFAOYSA-N 1 3 357.524 0.730 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000652479658 492947042 /nfs/dbraw/zinc/94/70/42/492947042.db2.gz SRMNCTWPLHIFKC-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000652479658 492947046 /nfs/dbraw/zinc/94/70/46/492947046.db2.gz SRMNCTWPLHIFKC-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO COc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccc1OCC(N)=O ZINC000638435667 492947190 /nfs/dbraw/zinc/94/71/90/492947190.db2.gz FCJZSSZWUNLDGB-UHFFFAOYSA-N 1 3 365.474 0.884 20 0 FCADHO CN1CC=C(CNC(=O)[C@@H]2CC[C@H]2C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000632306896 492969357 /nfs/dbraw/zinc/96/93/57/492969357.db2.gz YLVKYYLJZOGMOD-QZTJIDSGSA-N 1 3 360.502 0.769 20 0 FCADHO CN1CC=C(CNC(=O)[C@@H]2CC[C@H]2C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000632306896 492969360 /nfs/dbraw/zinc/96/93/60/492969360.db2.gz YLVKYYLJZOGMOD-QZTJIDSGSA-N 1 3 360.502 0.769 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000652622908 492972241 /nfs/dbraw/zinc/97/22/41/492972241.db2.gz WKJSEPUWWCOYET-MRXNPFEDSA-N 1 3 362.478 0.374 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000652632761 492974283 /nfs/dbraw/zinc/97/42/83/492974283.db2.gz BABGCFZDPPBLQE-UHFFFAOYSA-N 1 3 365.526 0.982 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652680925 492988359 /nfs/dbraw/zinc/98/83/59/492988359.db2.gz VIOPHWIOPUBSFK-GVDBMIGSSA-N 1 3 368.522 0.579 20 0 FCADHO CN1CCC(n2cc(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)cn2)CC1 ZINC000638978043 492989704 /nfs/dbraw/zinc/98/97/04/492989704.db2.gz SARKSGVZQNVUOT-OAHLLOKOSA-N 1 3 358.450 0.918 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652692174 492992191 /nfs/dbraw/zinc/99/21/91/492992191.db2.gz LDNAZTLMDFMTDH-ARFHVFGLSA-N 1 3 354.495 0.189 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCC2CC[NH2+]CC2)o1 ZINC000652723352 493003646 /nfs/dbraw/zinc/00/36/46/493003646.db2.gz ZXCGMLCWDBTRPH-UHFFFAOYSA-N 1 3 364.490 0.984 20 0 FCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000658760058 493044712 /nfs/dbraw/zinc/04/47/12/493044712.db2.gz UZUSNUUCUCMOIE-RBUKOAKNSA-N 1 3 370.497 0.739 20 0 FCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000658760058 493044716 /nfs/dbraw/zinc/04/47/16/493044716.db2.gz UZUSNUUCUCMOIE-RBUKOAKNSA-N 1 3 370.497 0.739 20 0 FCADHO C[C@]1(CO)C[C@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850576 493056123 /nfs/dbraw/zinc/05/61/23/493056123.db2.gz VZOBPCIXJODNAY-VNTMZGSJSA-N 1 3 364.486 0.322 20 0 FCADHO C[C@]1(CO)C[C@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850576 493056125 /nfs/dbraw/zinc/05/61/25/493056125.db2.gz VZOBPCIXJODNAY-VNTMZGSJSA-N 1 3 364.486 0.322 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC000653110752 493071935 /nfs/dbraw/zinc/07/19/35/493071935.db2.gz SOQHUPXBBFZOSA-JXFKEZNVSA-N 1 3 372.469 0.558 20 0 FCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000633041276 493108653 /nfs/dbraw/zinc/10/86/53/493108653.db2.gz VGUYIMPYXWGETB-RYUDHWBXSA-N 1 3 352.410 0.653 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCN(C2CCCCC2)CC1 ZINC000627230664 493112452 /nfs/dbraw/zinc/11/24/52/493112452.db2.gz KXOHVWHDOTZBPJ-KRWDZBQOSA-N 1 3 361.494 0.972 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633082719 493117560 /nfs/dbraw/zinc/11/75/60/493117560.db2.gz QVCWEJPQNYFCKY-CALCHBBNSA-N 1 3 362.449 0.679 20 0 FCADHO CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCN(CCc2ccccn2)CC1 ZINC000633085711 493118766 /nfs/dbraw/zinc/11/87/66/493118766.db2.gz FJLYNBJUHVKBKT-WMZOPIPTSA-N 1 3 371.485 0.120 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1F ZINC000659092482 493149089 /nfs/dbraw/zinc/14/90/89/493149089.db2.gz QXWKUQVIOYDRSI-UHFFFAOYSA-N 1 3 354.426 0.900 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190585 493176852 /nfs/dbraw/zinc/17/68/52/493176852.db2.gz FVPMYJMHSROBAB-UHFFFAOYSA-N 1 3 369.535 0.967 20 0 FCADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641215108 493182322 /nfs/dbraw/zinc/18/23/22/493182322.db2.gz MZWWLJOZUKLUOB-FQEVSTJZSA-N 1 3 372.517 0.737 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@H+](C)C(C)C)nn2)c1 ZINC000641224626 493185945 /nfs/dbraw/zinc/18/59/45/493185945.db2.gz WOBCKIQPCHAFAA-INIZCTEOSA-N 1 3 360.462 0.804 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn2)c1 ZINC000641224626 493185950 /nfs/dbraw/zinc/18/59/50/493185950.db2.gz WOBCKIQPCHAFAA-INIZCTEOSA-N 1 3 360.462 0.804 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630218 493223608 /nfs/dbraw/zinc/22/36/08/493223608.db2.gz GXOQQHRKBNGBQD-IUODEOHRSA-N 1 3 360.462 0.799 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630218 493223611 /nfs/dbraw/zinc/22/36/11/493223611.db2.gz GXOQQHRKBNGBQD-IUODEOHRSA-N 1 3 360.462 0.799 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000659700172 493261082 /nfs/dbraw/zinc/26/10/82/493261082.db2.gz CRLIZGDJOILEDY-GUTXKFCHSA-N 1 3 352.504 0.971 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659704040 493263607 /nfs/dbraw/zinc/26/36/07/493263607.db2.gz HUTHKBDBLNXWNV-QZTJIDSGSA-N 1 3 362.518 0.825 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659707042 493265406 /nfs/dbraw/zinc/26/54/06/493265406.db2.gz GBJCSYNEEMSASO-UHFFFAOYSA-N 1 3 354.495 0.380 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659716350 493269639 /nfs/dbraw/zinc/26/96/39/493269639.db2.gz ZOWWYPCHJDRFND-SFHVURJKSA-N 1 3 373.501 0.526 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659716349 493269734 /nfs/dbraw/zinc/26/97/34/493269734.db2.gz ZOWWYPCHJDRFND-GOSISDBHSA-N 1 3 373.501 0.526 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659722452 493272818 /nfs/dbraw/zinc/27/28/18/493272818.db2.gz FKILEUMLWPBSMG-GDBMZVCRSA-N 1 3 352.479 0.004 20 0 FCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727365 493275019 /nfs/dbraw/zinc/27/50/19/493275019.db2.gz DJMZMZFLFZGHNZ-QGZVFWFLSA-N 1 3 359.474 0.360 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667335653 493277139 /nfs/dbraw/zinc/27/71/39/493277139.db2.gz JSRRNUWSBVEWLO-UHFFFAOYSA-N 1 3 367.538 0.770 20 0 FCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659730937 493277332 /nfs/dbraw/zinc/27/73/32/493277332.db2.gz VTZKCJIKGFFYPU-QGZVFWFLSA-N 1 3 359.474 0.360 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000682222414 493279984 /nfs/dbraw/zinc/27/99/84/493279984.db2.gz ULRMCRIMCZEUDH-UHFFFAOYSA-N 1 3 350.467 0.183 20 0 FCADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659739707 493280385 /nfs/dbraw/zinc/28/03/85/493280385.db2.gz YJRFNZGEHAIZEM-GOSISDBHSA-N 1 3 374.485 0.343 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000673026118 493281880 /nfs/dbraw/zinc/28/18/80/493281880.db2.gz SGDOGRVCZMJBFJ-KRWDZBQOSA-N 1 3 374.529 0.860 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C(C)(C)C[NH+](C)C ZINC000673225235 493305021 /nfs/dbraw/zinc/30/50/21/493305021.db2.gz SLSNKXOTNILORD-HNNXBMFYSA-N 1 3 361.490 0.823 20 0 FCADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)n2)CC1 ZINC000683866229 493374902 /nfs/dbraw/zinc/37/49/02/493374902.db2.gz WQRCWTBVBRAQBT-MRXNPFEDSA-N 1 3 374.489 0.785 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000668635043 493387857 /nfs/dbraw/zinc/38/78/57/493387857.db2.gz HIJWXABULCEUPT-QGZVFWFLSA-N 1 3 366.506 0.204 20 0 FCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329506 493408900 /nfs/dbraw/zinc/40/89/00/493408900.db2.gz DAQKHQBJYRZDSV-MRXNPFEDSA-N 1 3 367.538 0.565 20 0 FCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000674329506 493408902 /nfs/dbraw/zinc/40/89/02/493408902.db2.gz DAQKHQBJYRZDSV-MRXNPFEDSA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661232703 493420086 /nfs/dbraw/zinc/42/00/86/493420086.db2.gz HTEKRBIEBOPIQL-MSOLQXFVSA-N 1 3 371.485 0.815 20 0 FCADHO CCCN1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000661231712 493420297 /nfs/dbraw/zinc/42/02/97/493420297.db2.gz SMHDUAHTBBFPLH-MRXNPFEDSA-N 1 3 353.511 0.762 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)CCO1 ZINC000669139233 493467361 /nfs/dbraw/zinc/46/73/61/493467361.db2.gz SGWZOEQMGKPLFU-WMLDXEAASA-N 1 3 350.463 0.885 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306598 493473332 /nfs/dbraw/zinc/47/33/32/493473332.db2.gz GXJSTRIOCWUWLQ-YOEHRIQHSA-N 1 3 357.458 0.329 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000669452528 493504203 /nfs/dbraw/zinc/50/42/03/493504203.db2.gz JIVCECGZQIVENQ-QGZVFWFLSA-N 1 3 361.490 0.919 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296819 493504331 /nfs/dbraw/zinc/50/43/31/493504331.db2.gz NMRZZZPUTHEVDG-ZWKOTPCHSA-N 1 3 350.507 0.825 20 0 FCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000676001471 493518064 /nfs/dbraw/zinc/51/80/64/493518064.db2.gz KIBVWBZSQAWTOH-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000662462856 493518165 /nfs/dbraw/zinc/51/81/65/493518165.db2.gz OYERRJTVSVBEBT-MJGOQNOKSA-N 1 3 358.486 0.744 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836937 493546159 /nfs/dbraw/zinc/54/61/59/493546159.db2.gz IPYVIZVOSMFXAH-KGLIPLIRSA-N 1 3 362.478 0.459 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836937 493546162 /nfs/dbraw/zinc/54/61/62/493546162.db2.gz IPYVIZVOSMFXAH-KGLIPLIRSA-N 1 3 362.478 0.459 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000662867985 493548276 /nfs/dbraw/zinc/54/82/76/493548276.db2.gz UJJDTOFSFNXACL-INMHGKMJSA-N 1 3 350.438 0.487 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676394348 493548945 /nfs/dbraw/zinc/54/89/45/493548945.db2.gz ZTBZDBPUOZPBSJ-CTNGQTDRSA-N 1 3 373.497 0.993 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676394348 493548946 /nfs/dbraw/zinc/54/89/46/493548946.db2.gz ZTBZDBPUOZPBSJ-CTNGQTDRSA-N 1 3 373.497 0.993 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000662947994 493559559 /nfs/dbraw/zinc/55/95/59/493559559.db2.gz DVPZSCFAKXZUNA-MSOLQXFVSA-N 1 3 358.486 0.712 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C[C@H]1[NH3+] ZINC000662956991 493560747 /nfs/dbraw/zinc/56/07/47/493560747.db2.gz CTEHRRSBCRDTEE-KBAYOESNSA-N 1 3 358.486 0.567 20 0 FCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000662961568 493561509 /nfs/dbraw/zinc/56/15/09/493561509.db2.gz FKMQBXGHTQUEMW-DLBZAZTESA-N 1 3 358.486 0.915 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000670429622 493565456 /nfs/dbraw/zinc/56/54/56/493565456.db2.gz DRTSOJLNFZGTGB-SJORKVTESA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663020031 493567214 /nfs/dbraw/zinc/56/72/14/493567214.db2.gz VNAPXKLOMRJVSU-PMPSAXMXSA-N 1 3 360.506 0.913 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663409476 493587703 /nfs/dbraw/zinc/58/77/03/493587703.db2.gz OAOKYVHBNAMHDK-UHFFFAOYSA-N 1 3 355.527 0.957 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663558603 493597794 /nfs/dbraw/zinc/59/77/94/493597794.db2.gz UVOSFSGUVJHCHH-KRWDZBQOSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000670984505 493619674 /nfs/dbraw/zinc/61/96/74/493619674.db2.gz MYDYFULBNYEHSG-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000670997794 493621790 /nfs/dbraw/zinc/62/17/90/493621790.db2.gz LEXOAJBBZOATBI-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000670997794 493621793 /nfs/dbraw/zinc/62/17/93/493621793.db2.gz LEXOAJBBZOATBI-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071373 493629574 /nfs/dbraw/zinc/62/95/74/493629574.db2.gz FZEOUUHECARNPU-DYVFJYSZSA-N 1 3 356.536 0.386 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100329 493632879 /nfs/dbraw/zinc/63/28/79/493632879.db2.gz BJPUYIAHZWGCAT-ZACQAIPSSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100329 493632881 /nfs/dbraw/zinc/63/28/81/493632881.db2.gz BJPUYIAHZWGCAT-ZACQAIPSSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104573 493635071 /nfs/dbraw/zinc/63/50/71/493635071.db2.gz WEPMBMPKUBKBLT-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104573 493635073 /nfs/dbraw/zinc/63/50/73/493635073.db2.gz WEPMBMPKUBKBLT-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108374 493636579 /nfs/dbraw/zinc/63/65/79/493636579.db2.gz XTPUUIWRUAQBTC-LTIDMASMSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108374 493636581 /nfs/dbraw/zinc/63/65/81/493636581.db2.gz XTPUUIWRUAQBTC-LTIDMASMSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109920 493636716 /nfs/dbraw/zinc/63/67/16/493636716.db2.gz ZFFDTBJJHVVWJF-RDJZCZTQSA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109920 493636717 /nfs/dbraw/zinc/63/67/17/493636717.db2.gz ZFFDTBJJHVVWJF-RDJZCZTQSA-N 1 3 357.458 0.473 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)C ZINC000671171654 493645454 /nfs/dbraw/zinc/64/54/54/493645454.db2.gz BELMTXDWOYXDJL-QGZVFWFLSA-N 1 3 369.554 0.221 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000664783871 493683088 /nfs/dbraw/zinc/68/30/88/493683088.db2.gz JJNSSXWNNWTEJS-HNNXBMFYSA-N 1 3 355.527 0.768 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000664783871 493683091 /nfs/dbraw/zinc/68/30/91/493683091.db2.gz JJNSSXWNNWTEJS-HNNXBMFYSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H](CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)[NH+](C)C ZINC000665128258 493701262 /nfs/dbraw/zinc/70/12/62/493701262.db2.gz ODDHHAQPBVSZFP-INIZCTEOSA-N 1 3 355.527 0.422 20 0 FCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236404 493706134 /nfs/dbraw/zinc/70/61/34/493706134.db2.gz LWOYKRWCKRMBQG-CYZMBNFOSA-N 1 3 371.279 0.916 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672308023 493753482 /nfs/dbraw/zinc/75/34/82/493753482.db2.gz WLMCRBSSFMLWSP-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672308023 493753483 /nfs/dbraw/zinc/75/34/83/493753483.db2.gz WLMCRBSSFMLWSP-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672308617 493753673 /nfs/dbraw/zinc/75/36/73/493753673.db2.gz VJWLVRMVYDNMMB-INIZCTEOSA-N 1 3 357.458 0.331 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309453 493754366 /nfs/dbraw/zinc/75/43/66/493754366.db2.gz NOJRHVKMBJCFGA-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309453 493754367 /nfs/dbraw/zinc/75/43/67/493754367.db2.gz NOJRHVKMBJCFGA-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311312 493754656 /nfs/dbraw/zinc/75/46/56/493754656.db2.gz CUISJHPRWQWUSD-YOEHRIQHSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419927325 536448945 /nfs/dbraw/zinc/44/89/45/536448945.db2.gz CHHVMIGGFUMGBO-CQSZACIVSA-N 1 3 352.454 0.688 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423610751 536460385 /nfs/dbraw/zinc/46/03/85/536460385.db2.gz NLRDJUKPOKBCTL-AWEZNQCLSA-N 1 3 352.504 0.706 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000410839567 528145481 /nfs/dbraw/zinc/14/54/81/528145481.db2.gz CNMNRQFSZHYXKR-GVDBMIGSSA-N 1 3 366.506 0.108 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000411768901 528996303 /nfs/dbraw/zinc/99/63/03/528996303.db2.gz JICXKZWLBQGUBR-RBUKOAKNSA-N 1 3 353.507 0.885 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000411031259 529074734 /nfs/dbraw/zinc/07/47/34/529074734.db2.gz SLFXIRNNIXEDIX-LPHOPBHVSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000411031259 529074739 /nfs/dbraw/zinc/07/47/39/529074739.db2.gz SLFXIRNNIXEDIX-LPHOPBHVSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419698213 535070751 /nfs/dbraw/zinc/07/07/51/535070751.db2.gz PFDUKKFCVNXJBV-APWZRJJASA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419695580 535073953 /nfs/dbraw/zinc/07/39/53/535073953.db2.gz LAHDWQDVRZPFFK-JKSUJKDBSA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419171193 535200434 /nfs/dbraw/zinc/20/04/34/535200434.db2.gz XGLJMRIJFCIGRB-MRXNPFEDSA-N 1 3 362.474 0.247 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCC[NH2+]C ZINC000419842884 535595359 /nfs/dbraw/zinc/59/53/59/535595359.db2.gz ILMUMBLXGXBDQY-KRWDZBQOSA-N 1 3 361.490 0.620 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039829 535595979 /nfs/dbraw/zinc/59/59/79/535595979.db2.gz YYEUQDKDNINUGF-GJZGRUSLSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039829 535595988 /nfs/dbraw/zinc/59/59/88/535595988.db2.gz YYEUQDKDNINUGF-GJZGRUSLSA-N 1 3 351.499 0.934 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000415476669 535751041 /nfs/dbraw/zinc/75/10/41/535751041.db2.gz CMLPOLOEJWYWPJ-QGZVFWFLSA-N 1 3 359.474 0.717 20 0 FCADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419768434 535895025 /nfs/dbraw/zinc/89/50/25/535895025.db2.gz CMKFLYZBNYLHAU-SFHVURJKSA-N 1 3 372.469 0.650 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000419657226 535903003 /nfs/dbraw/zinc/90/30/03/535903003.db2.gz JHTMWPZDVBTNKW-INIZCTEOSA-N 1 3 362.474 0.154 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000419218623 535904421 /nfs/dbraw/zinc/90/44/21/535904421.db2.gz SKVWDNVRLYRCOU-INIZCTEOSA-N 1 3 362.474 0.583 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1Cl ZINC000415325518 535907160 /nfs/dbraw/zinc/90/71/60/535907160.db2.gz JBMGDDACWUHTNF-LBPRGKRZSA-N 1 3 354.838 0.697 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418360638 535917240 /nfs/dbraw/zinc/91/72/40/535917240.db2.gz GFRWTEXJRWJFNC-MRXNPFEDSA-N 1 3 361.490 0.821 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCO1 ZINC000453708036 535968272 /nfs/dbraw/zinc/96/82/72/535968272.db2.gz BQKLVTAEWZXNSQ-WMZOPIPTSA-N 1 3 374.485 0.963 20 0 FCADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423711249 535973187 /nfs/dbraw/zinc/97/31/87/535973187.db2.gz MASKKULQVDXDSA-ZWKOTPCHSA-N 1 3 358.486 0.978 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424491815 536367701 /nfs/dbraw/zinc/36/77/01/536367701.db2.gz FXCMHQWHBZLECC-RCCFBDPRSA-N 1 3 356.470 0.540 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000419757552 536745950 /nfs/dbraw/zinc/74/59/50/536745950.db2.gz UQAQSDDUTYGJIH-GJZGRUSLSA-N 1 3 368.522 0.578 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424503133 536858924 /nfs/dbraw/zinc/85/89/24/536858924.db2.gz HNHBZRVXDLXVCZ-HNNXBMFYSA-N 1 3 366.506 0.204 20 0 FCADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000093583090 546591903 /nfs/dbraw/zinc/59/19/03/546591903.db2.gz WLJBJFGNJJZSMQ-GOSISDBHSA-N 1 3 351.491 0.752 20 0 FCADHO COCC1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC[NH2+]CC1 ZINC000592219279 546621691 /nfs/dbraw/zinc/62/16/91/546621691.db2.gz HVIGFZIMYYQWGQ-QGZVFWFLSA-N 1 3 352.523 0.630 20 0 FCADHO COCC[NH2+]CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418505927 546906805 /nfs/dbraw/zinc/90/68/05/546906805.db2.gz GMTDZAJYLYJYOX-IYBDPMFKSA-N 1 3 356.511 0.753 20 0 FCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911654 547114330 /nfs/dbraw/zinc/11/43/30/547114330.db2.gz UERQHEBOYJDOCI-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550903876 547114404 /nfs/dbraw/zinc/11/44/04/547114404.db2.gz LARHLENHJVOUFE-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550903876 547114410 /nfs/dbraw/zinc/11/44/10/547114410.db2.gz LARHLENHJVOUFE-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911653 547115255 /nfs/dbraw/zinc/11/52/55/547115255.db2.gz UERQHEBOYJDOCI-PBHICJAKSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCSC1 ZINC000551213350 547134497 /nfs/dbraw/zinc/13/44/97/547134497.db2.gz OGCKWNQZRKAKLA-SFHVURJKSA-N 1 3 370.563 0.730 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551853108 547167834 /nfs/dbraw/zinc/16/78/34/547167834.db2.gz UYKSZDJXISLJGL-UHFFFAOYSA-N 1 3 356.511 0.402 20 0 FCADHO CCN(CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000553099388 547253345 /nfs/dbraw/zinc/25/33/45/547253345.db2.gz PJDIEZFAADLAGB-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO CCN(CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000553099388 547253349 /nfs/dbraw/zinc/25/33/49/547253349.db2.gz PJDIEZFAADLAGB-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000553359651 547272512 /nfs/dbraw/zinc/27/25/12/547272512.db2.gz AVGCIQKASYZMBA-VYDXJSESSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000553359651 547272515 /nfs/dbraw/zinc/27/25/15/547272515.db2.gz AVGCIQKASYZMBA-VYDXJSESSA-N 1 3 350.507 0.918 20 0 FCADHO NC(C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(F)(F)F ZINC000663017336 547356683 /nfs/dbraw/zinc/35/66/83/547356683.db2.gz JISJBHCHYMSSNH-MFKMUULPSA-N 1 3 360.384 0.415 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](O)C(F)(F)F)CC2)CC1 ZINC000051758782 547413985 /nfs/dbraw/zinc/41/39/85/547413985.db2.gz CHGQTWQGKQNMFL-CYBMUJFWSA-N 1 3 352.401 0.767 20 0 FCADHO C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025525 598522575 /nfs/dbraw/zinc/52/25/75/598522575.db2.gz LQDOBVNCZGEIMM-KGLIPLIRSA-N 1 3 359.482 0.817 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000956021392 674516536 /nfs/dbraw/zinc/51/65/36/674516536.db2.gz BAVKJHHEFOGKJC-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000956021392 674516538 /nfs/dbraw/zinc/51/65/38/674516538.db2.gz BAVKJHHEFOGKJC-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000957013857 674533450 /nfs/dbraw/zinc/53/34/50/674533450.db2.gz KVZZDDAUFLLVTH-OGWOLHLISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000957013857 674533451 /nfs/dbraw/zinc/53/34/51/674533451.db2.gz KVZZDDAUFLLVTH-OGWOLHLISA-N 1 3 350.507 0.918 20 0 FCADHO Cn1cc(-c2nnn[n-]2)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000821584636 606288815 /nfs/dbraw/zinc/28/88/15/606288815.db2.gz MGRCLRFRANHXLB-UHFFFAOYSA-N 1 3 362.482 0.551 20 0 FCADHO Cn1cc(-c2nn[n-]n2)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000821584636 606288816 /nfs/dbraw/zinc/28/88/16/606288816.db2.gz MGRCLRFRANHXLB-UHFFFAOYSA-N 1 3 362.482 0.551 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821351057 606635235 /nfs/dbraw/zinc/63/52/35/606635235.db2.gz JTTOTZVOPZIADO-OLZOCXBDSA-N 1 3 363.470 0.051 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821351057 606635236 /nfs/dbraw/zinc/63/52/36/606635236.db2.gz JTTOTZVOPZIADO-OLZOCXBDSA-N 1 3 363.470 0.051 20 0 FCADHO CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821351056 606635270 /nfs/dbraw/zinc/63/52/70/606635270.db2.gz JTTOTZVOPZIADO-CHWSQXEVSA-N 1 3 363.470 0.051 20 0 FCADHO CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821351056 606635271 /nfs/dbraw/zinc/63/52/71/606635271.db2.gz JTTOTZVOPZIADO-CHWSQXEVSA-N 1 3 363.470 0.051 20 0 FCADHO COCCN1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891440306 663393504 /nfs/dbraw/zinc/39/35/04/663393504.db2.gz XFLOPDBDCUZUMP-WCQYABFASA-N 1 3 352.401 0.876 20 0 FCADHO COCCC1(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[NH2+]CC1 ZINC000891604591 663418100 /nfs/dbraw/zinc/41/81/00/663418100.db2.gz ZCBRLJNDYCSYET-MRXNPFEDSA-N 1 3 355.527 0.328 20 0 FCADHO CN1CCN(CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1(C)C ZINC000891880953 663445803 /nfs/dbraw/zinc/44/58/03/663445803.db2.gz QCLBUFFIEWLKTC-QWHCGFSZSA-N 1 3 365.444 0.791 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892649786 664059110 /nfs/dbraw/zinc/05/91/10/664059110.db2.gz MAJQUUIQTGRGJY-XHSDSOJGSA-N 1 3 351.495 0.132 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892649786 664059113 /nfs/dbraw/zinc/05/91/13/664059113.db2.gz MAJQUUIQTGRGJY-XHSDSOJGSA-N 1 3 351.495 0.132 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CCCCN1CCO ZINC000892761390 664137711 /nfs/dbraw/zinc/13/77/11/664137711.db2.gz ZWDVSLBUQOQPBP-CVEARBPZSA-N 1 3 354.495 0.291 20 0 FCADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892865139 664150765 /nfs/dbraw/zinc/15/07/65/664150765.db2.gz GDSHLDNIVLUNES-WMLDXEAASA-N 1 3 367.515 0.891 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CN(CCO)CC2(C)C)CC1 ZINC000974597025 664267662 /nfs/dbraw/zinc/26/76/62/664267662.db2.gz PUDHXNOOPHRRPR-IKGGRYGDSA-N 1 3 353.507 0.552 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000979859749 664464160 /nfs/dbraw/zinc/46/41/60/664464160.db2.gz GPUPHQPUUNZWEV-BQJWPVKWSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000979859749 664464163 /nfs/dbraw/zinc/46/41/63/664464163.db2.gz GPUPHQPUUNZWEV-BQJWPVKWSA-N 1 3 350.507 0.679 20 0 FCADHO COc1ccc(S(=O)(=O)N2CC(NCC3CC[NH+](C)CC3)C2)cc1 ZINC000893625409 664485273 /nfs/dbraw/zinc/48/52/73/664485273.db2.gz FPFNHVGLSKFKNL-UHFFFAOYSA-N 1 3 353.488 1.000 20 0 FCADHO CCN(CC)C(=O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000726245061 664915196 /nfs/dbraw/zinc/91/51/96/664915196.db2.gz YAPXQYQXGWHHCU-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C1CCN([C@H]2CCOC2)CC1 ZINC000925000561 664956279 /nfs/dbraw/zinc/95/62/79/664956279.db2.gz NZPXUAFZRLQZJE-HOTGVXAUSA-N 1 3 350.463 0.646 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC)N(C)C ZINC000985164996 665138190 /nfs/dbraw/zinc/13/81/90/665138190.db2.gz YQEIOMFCLVGQPJ-ARFHVFGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC000985439714 665167413 /nfs/dbraw/zinc/16/74/13/665167413.db2.gz DUOJLFPHZKCTBP-BBWFWOEESA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC000985439714 665167414 /nfs/dbraw/zinc/16/74/14/665167414.db2.gz DUOJLFPHZKCTBP-BBWFWOEESA-N 1 3 350.507 0.870 20 0 FCADHO CN(C)CC[N@H+](C)CCCNC(=O)C1CCC(N2CCOCC2)CC1 ZINC000908239684 666196697 /nfs/dbraw/zinc/19/66/97/666196697.db2.gz LUVHEDNJQDJMNS-UHFFFAOYSA-N 1 3 354.539 0.877 20 0 FCADHO CN(C)CC[N@@H+](C)CCCNC(=O)C1CCC(N2CCOCC2)CC1 ZINC000908239684 666196699 /nfs/dbraw/zinc/19/66/99/666196699.db2.gz LUVHEDNJQDJMNS-UHFFFAOYSA-N 1 3 354.539 0.877 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](O)C[C@]3(C)CO)CC2)CC1 ZINC000912658029 666465435 /nfs/dbraw/zinc/46/54/35/666465435.db2.gz NILFYIWEUIMKEO-PKOBYXMFSA-N 1 3 353.507 0.527 20 0 FCADHO CC(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC000941216029 666593527 /nfs/dbraw/zinc/59/35/27/666593527.db2.gz CLSPFKWMJVYLID-ZACQAIPSSA-N 1 3 352.523 0.974 20 0 FCADHO CC(C)[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC000941216029 666593529 /nfs/dbraw/zinc/59/35/29/666593529.db2.gz CLSPFKWMJVYLID-ZACQAIPSSA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CN(C)C3CCC3)CC2)CC[N@@H+]1C ZINC000941219945 666594174 /nfs/dbraw/zinc/59/41/74/666594174.db2.gz GBZPCEHNLBHWPL-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CN(C)C3CCC3)CC2)CC[N@H+]1C ZINC000941219945 666594178 /nfs/dbraw/zinc/59/41/78/666594178.db2.gz GBZPCEHNLBHWPL-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000916843092 667032962 /nfs/dbraw/zinc/03/29/62/667032962.db2.gz TVHTYJBJCUTVSV-GVDBMIGSSA-N 1 3 352.479 0.402 20 0 FCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000916843092 667032965 /nfs/dbraw/zinc/03/29/65/667032965.db2.gz TVHTYJBJCUTVSV-GVDBMIGSSA-N 1 3 352.479 0.402 20 0 FCADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000916843091 667033085 /nfs/dbraw/zinc/03/30/85/667033085.db2.gz TVHTYJBJCUTVSV-BRWVUGGUSA-N 1 3 352.479 0.402 20 0 FCADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000916843091 667033090 /nfs/dbraw/zinc/03/30/90/667033090.db2.gz TVHTYJBJCUTVSV-BRWVUGGUSA-N 1 3 352.479 0.402 20 0 FCADHO C[NH+]1CCC(CNC(=S)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000760483415 667851284 /nfs/dbraw/zinc/85/12/84/667851284.db2.gz NUESNCKMFMKHJX-UHFFFAOYSA-N 1 3 367.563 0.443 20 0 FCADHO C[NH+]1CCC(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000788476091 668829883 /nfs/dbraw/zinc/82/98/83/668829883.db2.gz YEVRREAFNDVQCM-UHFFFAOYSA-N 1 3 352.504 0.798 20 0 FCADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820810472 669130468 /nfs/dbraw/zinc/13/04/68/669130468.db2.gz XLLJEFGHBYMLAF-KGLIPLIRSA-N 1 3 353.488 0.938 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000828516706 669648891 /nfs/dbraw/zinc/64/88/91/669648891.db2.gz USPYAZIJHPAONZ-GOSISDBHSA-N 1 3 353.438 0.961 20 0 FCADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000831644267 669860087 /nfs/dbraw/zinc/86/00/87/669860087.db2.gz RCKQFJGBNURRMT-HUUCEWRRSA-N 1 3 351.882 0.939 20 0 FCADHO CC(C)COC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000841006675 670531390 /nfs/dbraw/zinc/53/13/90/670531390.db2.gz HKELSDIEKHDMSO-INIZCTEOSA-N 1 3 354.495 0.984 20 0 FCADHO CC(C)COC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000841006675 670531393 /nfs/dbraw/zinc/53/13/93/670531393.db2.gz HKELSDIEKHDMSO-INIZCTEOSA-N 1 3 354.495 0.984 20 0 FCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1[C@@H]1CCCOC1)C2=O ZINC000842619122 670702945 /nfs/dbraw/zinc/70/29/45/670702945.db2.gz UHMGARYZSMYIOT-CABCVRRESA-N 1 3 350.463 0.851 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CN(C(=O)OC)C3)CC2)CC1 ZINC000847593952 671210164 /nfs/dbraw/zinc/21/01/64/671210164.db2.gz HDHBQPOXGZZQMK-UHFFFAOYSA-N 1 3 352.479 0.750 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000849051253 671316248 /nfs/dbraw/zinc/31/62/48/671316248.db2.gz CSLIROYUTHFPTP-STQMWFEESA-N 1 3 351.417 0.848 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC000903524820 675938377 /nfs/dbraw/zinc/93/83/77/675938377.db2.gz AANDQWXCPJZENC-DYVFJYSZSA-N 1 3 365.865 0.910 20 0 FCADHO CCN(CC)C(=O)CN1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733097 675965107 /nfs/dbraw/zinc/96/51/07/675965107.db2.gz JQLIACUGTIALHE-IEBWSBKVSA-N 1 3 352.523 0.631 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870953640 672522874 /nfs/dbraw/zinc/52/28/74/672522874.db2.gz HPJJIZBXIGQKIY-UHFFFAOYSA-N 1 3 367.519 0.702 20 0 FCADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923637176 672654914 /nfs/dbraw/zinc/65/49/14/672654914.db2.gz URQQIIVHPGIAMB-MSOLQXFVSA-N 1 3 366.531 0.809 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001001420748 676071490 /nfs/dbraw/zinc/07/14/90/676071490.db2.gz OSJBDDLFFFPJKY-GDBMZVCRSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001001420748 676071492 /nfs/dbraw/zinc/07/14/92/676071492.db2.gz OSJBDDLFFFPJKY-GDBMZVCRSA-N 1 3 351.495 0.180 20 0 FCADHO N[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413255 673452093 /nfs/dbraw/zinc/45/20/93/673452093.db2.gz NPHHVVWIRZLMSU-HUUCEWRRSA-N 1 3 367.291 0.955 20 0 FCADHO N[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(Br)cc1 ZINC000884413255 673452094 /nfs/dbraw/zinc/45/20/94/673452094.db2.gz NPHHVVWIRZLMSU-HUUCEWRRSA-N 1 3 367.291 0.955 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612108 673465933 /nfs/dbraw/zinc/46/59/33/673465933.db2.gz DLQSUUHTXDMKSI-CXAGYDPISA-N 1 3 356.536 0.434 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612110 673466005 /nfs/dbraw/zinc/46/60/05/673466005.db2.gz DLQSUUHTXDMKSI-GUYCJALGSA-N 1 3 356.536 0.434 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884616927 673466389 /nfs/dbraw/zinc/46/63/89/673466389.db2.gz FENKXIMUXJPGQV-VQIMIIECSA-N 1 3 350.507 0.969 20 0 FCADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000884705746 673475017 /nfs/dbraw/zinc/47/50/17/673475017.db2.gz GTAXFKAXCBMGBT-KBPBESRZSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705840 673475319 /nfs/dbraw/zinc/47/53/19/673475319.db2.gz JHLKNKGCLAEACJ-VUULHSHRSA-N 1 3 354.495 0.595 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884786337 673482277 /nfs/dbraw/zinc/48/22/77/673482277.db2.gz OCTIWDCXWLFYAO-KGLIPLIRSA-N 1 3 360.449 0.584 20 0 FCADHO CCN(C(=O)C(=O)N(C)CCCN(C)Cc1ccco1)[C@H]1CC[NH2+]C1 ZINC000887068687 673618490 /nfs/dbraw/zinc/61/84/90/673618490.db2.gz QAFPPVDYVKRMOJ-HNNXBMFYSA-N 1 3 350.463 0.770 20 0 FCADHO CCC[NH+]1CCC(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000888027994 673664325 /nfs/dbraw/zinc/66/43/25/673664325.db2.gz OGNPHNTWPXPISZ-OAHLLOKOSA-N 1 3 353.511 0.870 20 0 FCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444020 673792507 /nfs/dbraw/zinc/79/25/07/673792507.db2.gz AYMFCLGLOLATQL-HOTGVXAUSA-N 1 3 350.463 0.646 20 0 FCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000925444020 673792508 /nfs/dbraw/zinc/79/25/08/673792508.db2.gz AYMFCLGLOLATQL-HOTGVXAUSA-N 1 3 350.463 0.646 20 0 FCADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927633462 673871391 /nfs/dbraw/zinc/87/13/91/673871391.db2.gz BVLJUQMZQLMUJW-DJIMGWMZSA-N 1 3 354.495 0.336 20 0 FCADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927633462 673871395 /nfs/dbraw/zinc/87/13/95/673871395.db2.gz BVLJUQMZQLMUJW-DJIMGWMZSA-N 1 3 354.495 0.336 20 0 FCADHO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CN(C)CCN1C ZINC000900805744 675718418 /nfs/dbraw/zinc/71/84/18/675718418.db2.gz QERVLAMKDXAPRT-IAGOWNOFSA-N 1 3 352.523 0.772 20 0 FCADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384227 675795359 /nfs/dbraw/zinc/79/53/59/675795359.db2.gz NMJMSBRUGQWROC-OWSLCNJRSA-N 1 3 353.507 0.645 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)CN2CC[C@H](C)C2)C3)CC[N@@H+]1C ZINC000969123833 1167733491 /nfs/dbraw/zinc/73/34/91/1167733491.db2.gz ZDPQKHAXHSHXAK-IGKNDFSCSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)CN2CC[C@H](C)C2)C3)CC[N@H+]1C ZINC000969123833 1167733506 /nfs/dbraw/zinc/73/35/06/1167733506.db2.gz ZDPQKHAXHSHXAK-IGKNDFSCSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(C[NH+](C)C)cc2)no1)C(N)=O ZINC001211998331 1192312981 /nfs/dbraw/zinc/31/29/81/1192312981.db2.gz OABLKCSSQWUMGL-SMDDNHRTSA-N 1 3 374.445 0.048 20 0 FCADHO C[C@H]1OC(C)(C)N(C(=O)CN)[C@@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212034449 1192340653 /nfs/dbraw/zinc/34/06/53/1192340653.db2.gz WEIRFCIXGKCKEA-BMIGLBTASA-N 1 3 372.429 0.761 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001104322466 1169959193 /nfs/dbraw/zinc/95/91/93/1169959193.db2.gz LUKOIBNMNBZZOE-ZACQAIPSSA-N 1 3 367.538 0.672 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356188 1170005830 /nfs/dbraw/zinc/00/58/30/1170005830.db2.gz RLYKNFWJUDRQFA-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394496 1170070217 /nfs/dbraw/zinc/07/02/17/1170070217.db2.gz YNKMBIDRVSLRSA-BDXSIMOUSA-N 1 3 357.414 0.872 20 0 FCADHO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398394496 1170070224 /nfs/dbraw/zinc/07/02/24/1170070224.db2.gz YNKMBIDRVSLRSA-BDXSIMOUSA-N 1 3 357.414 0.872 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CN1C1CC1 ZINC000891662499 1170801616 /nfs/dbraw/zinc/80/16/16/1170801616.db2.gz YCNWPNVGMDQGGF-DEDQRHPVSA-N 1 3 363.462 0.188 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001691271225 1171005135 /nfs/dbraw/zinc/00/51/35/1171005135.db2.gz AQZJRQDXCNEOFM-LSDHHAIUSA-N 1 3 362.478 0.630 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C ZINC001691347367 1171164857 /nfs/dbraw/zinc/16/48/57/1171164857.db2.gz IDXVASDXADNJSJ-ILXRZTDVSA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022719751 1171811249 /nfs/dbraw/zinc/81/12/49/1171811249.db2.gz BHOZCYMLENRYMP-BPQIPLTHSA-N 1 3 362.518 0.729 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001691579065 1192891872 /nfs/dbraw/zinc/89/18/72/1192891872.db2.gz XUACRBQEOSXZQH-CVEARBPZSA-N 1 3 351.495 0.134 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001691579065 1192891873 /nfs/dbraw/zinc/89/18/73/1192891873.db2.gz XUACRBQEOSXZQH-CVEARBPZSA-N 1 3 351.495 0.134 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000659073616 1180051469 /nfs/dbraw/zinc/05/14/69/1180051469.db2.gz BIANKFJKURDOAA-IRXDYDNUSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)C1CC1 ZINC000972649985 1180188796 /nfs/dbraw/zinc/18/87/96/1180188796.db2.gz WNTXBZVSHSRCLP-KZNAEPCWSA-N 1 3 362.518 0.728 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000892685593 1182277252 /nfs/dbraw/zinc/27/72/52/1182277252.db2.gz ALTUVSSKWARCSB-ZWKOTPCHSA-N 1 3 368.522 0.728 20 0 FCADHO C[C@]1(CNC(=O)C(=O)N2CCCNCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000311405936 1182302001 /nfs/dbraw/zinc/30/20/01/1182302001.db2.gz WKTKNUFLUCMTHF-HXUWFJFHSA-N 1 3 358.486 0.837 20 0 FCADHO C[C@]1(CNC(=O)C(=O)N2CCCNCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311405936 1182302006 /nfs/dbraw/zinc/30/20/06/1182302006.db2.gz WKTKNUFLUCMTHF-HXUWFJFHSA-N 1 3 358.486 0.837 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231969 1182929299 /nfs/dbraw/zinc/92/92/99/1182929299.db2.gz STSCGTKTWNZEJP-QJPTWQEYSA-N 1 3 352.401 0.442 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC001481231969 1182929305 /nfs/dbraw/zinc/92/93/05/1182929305.db2.gz STSCGTKTWNZEJP-QJPTWQEYSA-N 1 3 352.401 0.442 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001104939565 1183012162 /nfs/dbraw/zinc/01/21/62/1183012162.db2.gz XASPFHUBGKHIFP-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO CN(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC000974584475 1183363322 /nfs/dbraw/zinc/36/33/22/1183363322.db2.gz QAULKGUOLPQLDF-ZACQAIPSSA-N 1 3 360.502 0.482 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CCC1 ZINC000974585376 1183364499 /nfs/dbraw/zinc/36/44/99/1183364499.db2.gz XTXHZFYKVZBPEC-HZPDHXFCSA-N 1 3 360.502 0.626 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784980 1186520736 /nfs/dbraw/zinc/52/07/36/1186520736.db2.gz YXSRMPFWORENHF-IXDOHACOSA-N 1 3 362.518 0.968 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cn1 ZINC000893871302 1187519715 /nfs/dbraw/zinc/51/97/15/1187519715.db2.gz JJKVTRLNZOXNGK-HOTGVXAUSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cn1 ZINC000893871302 1187519719 /nfs/dbraw/zinc/51/97/19/1187519719.db2.gz JJKVTRLNZOXNGK-HOTGVXAUSA-N 1 3 359.474 0.730 20 0 FCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@H]1CCC[N@H+](C)C1)C2 ZINC000894788558 1188250640 /nfs/dbraw/zinc/25/06/40/1188250640.db2.gz SNWXZNYBPQWPJS-HMQMGEFJSA-N 1 3 365.522 0.806 20 0 FCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C2 ZINC000894788558 1188250644 /nfs/dbraw/zinc/25/06/44/1188250644.db2.gz SNWXZNYBPQWPJS-HMQMGEFJSA-N 1 3 365.522 0.806 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112535877 1188323177 /nfs/dbraw/zinc/32/31/77/1188323177.db2.gz FAUGPGDYJVEMSB-KXBFYZLASA-N 1 3 359.474 0.697 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCN1CCNC1=O ZINC001087750189 1189811503 /nfs/dbraw/zinc/81/15/03/1189811503.db2.gz XJBFNWJRSBLLBB-DLBZAZTESA-N 1 3 365.522 0.713 20 0 FCADHO CN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCN(C)C1 ZINC000895333969 1189836004 /nfs/dbraw/zinc/83/60/04/1189836004.db2.gz MZBBDQDPHDIXIQ-QGZVFWFLSA-N 1 3 367.538 0.519 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088002509 1190184298 /nfs/dbraw/zinc/18/42/98/1190184298.db2.gz JHOSAKIMNOTOJX-AOIWGVFYSA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088002509 1190184301 /nfs/dbraw/zinc/18/43/01/1190184301.db2.gz JHOSAKIMNOTOJX-AOIWGVFYSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)C1 ZINC000986138266 1190903891 /nfs/dbraw/zinc/90/38/91/1190903891.db2.gz VLXWPYXHWOSPRS-KURKYZTESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)C1 ZINC000986138266 1190903895 /nfs/dbraw/zinc/90/38/95/1190903895.db2.gz VLXWPYXHWOSPRS-KURKYZTESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC000986138935 1190904306 /nfs/dbraw/zinc/90/43/06/1190904306.db2.gz ZYEYUFWMHKMEHA-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC000986138935 1190904309 /nfs/dbraw/zinc/90/43/09/1190904309.db2.gz ZYEYUFWMHKMEHA-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1)[NH+](C)C ZINC000986262939 1190938251 /nfs/dbraw/zinc/93/82/51/1190938251.db2.gz RQPHXJVCALXZQZ-AOIWGVFYSA-N 1 3 364.534 0.975 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000986334776 1190958879 /nfs/dbraw/zinc/95/88/79/1190958879.db2.gz ZASDLCWYFHMHOP-SQNIBIBYSA-N 1 3 362.518 0.729 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089246 1224139745 /nfs/dbraw/zinc/13/97/45/1224139745.db2.gz ILFFPVKSVXWGDI-ZMZPIMSZSA-N 1 3 364.446 0.672 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001218182167 1224146242 /nfs/dbraw/zinc/14/62/42/1224146242.db2.gz WIWWCTSVNWXTAV-ZSBIGDGJSA-N 1 3 364.446 0.765 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001218182167 1224146245 /nfs/dbraw/zinc/14/62/45/1224146245.db2.gz WIWWCTSVNWXTAV-ZSBIGDGJSA-N 1 3 364.446 0.765 20 0 FCADHO Cn1nc2c(c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CCC2 ZINC001218528240 1224168886 /nfs/dbraw/zinc/16/88/86/1224168886.db2.gz ORBPZAPQWOYLKT-ZFWWWQNUSA-N 1 3 362.478 0.295 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551135281 1193834794 /nfs/dbraw/zinc/83/47/94/1193834794.db2.gz BZXPVMHTDWKZLK-YESZJQIVSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551135281 1193834797 /nfs/dbraw/zinc/83/47/97/1193834797.db2.gz BZXPVMHTDWKZLK-YESZJQIVSA-N 1 3 366.506 0.299 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000551163372 1193837890 /nfs/dbraw/zinc/83/78/90/1193837890.db2.gz FDOHNSIQIRUPFJ-UHFFFAOYSA-N 1 3 367.538 0.075 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CCOC1CCC1 ZINC001088757253 1193892415 /nfs/dbraw/zinc/89/24/15/1193892415.db2.gz PSKINMBUFFXMMZ-ADVWOHTOSA-N 1 3 363.502 0.998 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CCOC1CCC1 ZINC001088757253 1193892418 /nfs/dbraw/zinc/89/24/18/1193892418.db2.gz PSKINMBUFFXMMZ-ADVWOHTOSA-N 1 3 363.502 0.998 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553685650 1194015194 /nfs/dbraw/zinc/01/51/94/1194015194.db2.gz ZGVXYDXFJJFJHG-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000553685650 1194015195 /nfs/dbraw/zinc/01/51/95/1194015195.db2.gz ZGVXYDXFJJFJHG-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NN3C(=O)[C@H](C)N(C)C3=O)CC2)CC1 ZINC000899038032 1194098066 /nfs/dbraw/zinc/09/80/66/1194098066.db2.gz KNMIKKLTLBPOFP-ZDUSSCGKSA-N 1 3 365.478 0.496 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001691626838 1194323127 /nfs/dbraw/zinc/32/31/27/1194323127.db2.gz PVRPKLUYPPJQFZ-HLLBOEOZSA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)cn1 ZINC001076344871 1194406504 /nfs/dbraw/zinc/40/65/04/1194406504.db2.gz CYVZJKFJMBUHSU-FUHWJXTLSA-N 1 3 371.489 0.488 20 0 FCADHO Cc1noc(CCCN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467581 1194503221 /nfs/dbraw/zinc/50/32/21/1194503221.db2.gz NMWCICDWAFATTI-JKSUJKDBSA-N 1 3 359.474 0.939 20 0 FCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001691630212 1194588207 /nfs/dbraw/zinc/58/82/07/1194588207.db2.gz JNOPADKNVSAAMK-QWHCGFSZSA-N 1 3 355.483 0.034 20 0 FCADHO O=C(Nc1ccc2c(c1)CCN2C(=O)C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001218830703 1224233552 /nfs/dbraw/zinc/23/35/52/1224233552.db2.gz KJONAXGEQRLFFF-GFCCVEGCSA-N 1 3 368.359 0.886 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@H]2O)n1 ZINC001077014333 1195148776 /nfs/dbraw/zinc/14/87/76/1195148776.db2.gz QEXWADFGUOWPDV-IAGOWNOFSA-N 1 3 363.506 0.656 20 0 FCADHO CO[C@@H](CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)C1CCC1 ZINC001218969990 1224274513 /nfs/dbraw/zinc/27/45/13/1224274513.db2.gz AMXVLHSGBIBNIJ-OKZBNKHCSA-N 1 3 369.506 0.291 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418277 1195517846 /nfs/dbraw/zinc/51/78/46/1195517846.db2.gz LVUJLMRTAHRFEP-SYJBPTKTSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001077418277 1195517852 /nfs/dbraw/zinc/51/78/52/1195517852.db2.gz LVUJLMRTAHRFEP-SYJBPTKTSA-N 1 3 363.502 0.591 20 0 FCADHO CN(C)CCn1nccc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000908377325 1195742597 /nfs/dbraw/zinc/74/25/97/1195742597.db2.gz IYXHWANTDPDCMF-UHFFFAOYSA-N 1 3 364.494 0.167 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000910831953 1195851334 /nfs/dbraw/zinc/85/13/34/1195851334.db2.gz MAPXDAQUZUGLMV-FUHWJXTLSA-N 1 3 371.485 0.815 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCCO1 ZINC000910984098 1195873249 /nfs/dbraw/zinc/87/32/49/1195873249.db2.gz LCVVPVRPTASETO-ZTFGCOKTSA-N 1 3 374.485 0.344 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCCO1 ZINC000910984098 1195873250 /nfs/dbraw/zinc/87/32/50/1195873250.db2.gz LCVVPVRPTASETO-ZTFGCOKTSA-N 1 3 374.485 0.344 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911092197 1195887856 /nfs/dbraw/zinc/88/78/56/1195887856.db2.gz REXOPUUDRWAYPS-ZTFGCOKTSA-N 1 3 358.486 0.964 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911092197 1195887859 /nfs/dbraw/zinc/88/78/59/1195887859.db2.gz REXOPUUDRWAYPS-ZTFGCOKTSA-N 1 3 358.486 0.964 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911146155 1195898142 /nfs/dbraw/zinc/89/81/42/1195898142.db2.gz OOCNIPXOQUOVCW-UHFFFAOYSA-N 1 3 373.501 0.048 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000911156118 1195899417 /nfs/dbraw/zinc/89/94/17/1195899417.db2.gz BBHQCHIWZVZESY-HNNXBMFYSA-N 1 3 358.486 0.399 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911270549 1195925649 /nfs/dbraw/zinc/92/56/49/1195925649.db2.gz YMTMGZAVCZYVCF-IRXDYDNUSA-N 1 3 367.538 0.025 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000911366265 1195948400 /nfs/dbraw/zinc/94/84/00/1195948400.db2.gz ZRFMAMHEVBECIN-HNNXBMFYSA-N 1 3 366.506 0.109 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](C2CCN(CC3CC3)CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001168378478 1196471394 /nfs/dbraw/zinc/47/13/94/1196471394.db2.gz VQKUNVOLTDRSSO-BHIYHBOVSA-N 1 3 371.485 0.780 20 0 FCADHO O=C(N[C@@H]1C[N@H+](C2CCN(CC3CC3)CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001168378478 1196471400 /nfs/dbraw/zinc/47/14/00/1196471400.db2.gz VQKUNVOLTDRSSO-BHIYHBOVSA-N 1 3 371.485 0.780 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945932 1197618893 /nfs/dbraw/zinc/61/88/93/1197618893.db2.gz ZPGCTPLRABZILU-YRNRMSPPSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1)C1CCC1 ZINC000992945932 1197618898 /nfs/dbraw/zinc/61/88/98/1197618898.db2.gz ZPGCTPLRABZILU-YRNRMSPPSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)CCC1 ZINC000992943492 1197622614 /nfs/dbraw/zinc/62/26/14/1197622614.db2.gz SCLUNKYGLUOWSM-TXPKVOOTSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)CCC1 ZINC000992943492 1197622623 /nfs/dbraw/zinc/62/26/23/1197622623.db2.gz SCLUNKYGLUOWSM-TXPKVOOTSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106244480 1197776152 /nfs/dbraw/zinc/77/61/52/1197776152.db2.gz LZHGWASSCGFXOV-ZACQAIPSSA-N 1 3 363.506 0.412 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106255914 1197793361 /nfs/dbraw/zinc/79/33/61/1197793361.db2.gz OYRHBGSLJGRRFV-HUUCEWRRSA-N 1 3 364.490 0.304 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106336694 1197868135 /nfs/dbraw/zinc/86/81/35/1197868135.db2.gz ZXSNWQVRXITKBY-BRWVUGGUSA-N 1 3 365.522 0.658 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H]([NH+]3CCCC3)CC1)C2=O ZINC000738268956 1197996809 /nfs/dbraw/zinc/99/68/09/1197996809.db2.gz DWCHFXJKHSWYHT-INIZCTEOSA-N 1 3 363.506 0.910 20 0 FCADHO COc1coc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001086369875 1198330659 /nfs/dbraw/zinc/33/06/59/1198330659.db2.gz FBIXWKWKOJVRNM-IXYNUQLISA-N 1 3 363.458 0.973 20 0 FCADHO COc1coc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001086369875 1198330670 /nfs/dbraw/zinc/33/06/70/1198330670.db2.gz FBIXWKWKOJVRNM-IXYNUQLISA-N 1 3 363.458 0.973 20 0 FCADHO CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C)OCC2 ZINC001169096909 1199046297 /nfs/dbraw/zinc/04/62/97/1199046297.db2.gz ZRFLDYCMQBLTLW-WCXIOVBPSA-N 1 3 361.490 0.800 20 0 FCADHO Cc1cn([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001169115615 1199049937 /nfs/dbraw/zinc/04/99/37/1199049937.db2.gz LPBBUWXPSWXHFR-VNAATALASA-N 1 3 364.446 0.121 20 0 FCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736387 1224584695 /nfs/dbraw/zinc/58/46/95/1224584695.db2.gz CDUJQKLXZSUXKY-HZPDHXFCSA-N 1 3 361.442 0.332 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000767945895 1200042638 /nfs/dbraw/zinc/04/26/38/1200042638.db2.gz UQROYNSTPZXHSP-BDXSIMOUSA-N 1 3 366.506 0.527 20 0 FCADHO [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NCc1noc2c1CNCC2 ZINC001219809649 1224628075 /nfs/dbraw/zinc/62/80/75/1224628075.db2.gz OWWQYTBBFWLRBV-OAHLLOKOSA-N 1 3 367.409 0.500 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112586321 1200822783 /nfs/dbraw/zinc/82/27/83/1200822783.db2.gz UFCZFCQVWANDHX-LPHOPBHVSA-N 1 3 365.522 0.570 20 0 FCADHO COc1cccc([C@H](N)CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001219838753 1224647599 /nfs/dbraw/zinc/64/75/99/1224647599.db2.gz UFKGHHGJSOSENZ-LSBZLQRGSA-N 1 3 363.458 0.596 20 0 FCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837944 1224647750 /nfs/dbraw/zinc/64/77/50/1224647750.db2.gz NACFVPFULFDUSM-QSFXBCCZSA-N 1 3 359.470 0.602 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1n1ccnn1 ZINC001129400335 1201305793 /nfs/dbraw/zinc/30/57/93/1201305793.db2.gz IJRCGJAPRVAHJS-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1n1ccnn1 ZINC001129400335 1201305798 /nfs/dbraw/zinc/30/57/98/1201305798.db2.gz IJRCGJAPRVAHJS-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO COCCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892133 1201416368 /nfs/dbraw/zinc/41/63/68/1201416368.db2.gz JOGJRIFCGJPVSF-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO COCCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892133 1201416372 /nfs/dbraw/zinc/41/63/72/1201416372.db2.gz JOGJRIFCGJPVSF-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129900020 1201432848 /nfs/dbraw/zinc/43/28/48/1201432848.db2.gz XARLKVOCMRTMNI-IKGGRYGDSA-N 1 3 366.510 0.632 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129994227 1201464616 /nfs/dbraw/zinc/46/46/16/1201464616.db2.gz CCNINOKLHFVFNW-IXDOHACOSA-N 1 3 366.510 0.631 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130014447 1201471997 /nfs/dbraw/zinc/47/19/97/1201471997.db2.gz MWMFHVHGUZVCAD-CVEARBPZSA-N 1 3 366.510 0.634 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130030781 1201480735 /nfs/dbraw/zinc/48/07/35/1201480735.db2.gz QWBHHTAAZRWWLR-IKGGRYGDSA-N 1 3 364.494 0.265 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130047783 1201486641 /nfs/dbraw/zinc/48/66/41/1201486641.db2.gz SXHIDIAJBOLBRW-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[n-]1 ZINC001130220567 1201545907 /nfs/dbraw/zinc/54/59/07/1201545907.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 1 3 364.494 0.777 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[n-]1 ZINC001130220567 1201545910 /nfs/dbraw/zinc/54/59/10/1201545910.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 1 3 364.494 0.777 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCn2ccnc2)n[nH]1 ZINC001130253954 1201571070 /nfs/dbraw/zinc/57/10/70/1201571070.db2.gz XTKAGSBLMTXIGN-KBPBESRZSA-N 1 3 361.450 0.580 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1)N(C)C ZINC001130302435 1201580569 /nfs/dbraw/zinc/58/05/69/1201580569.db2.gz ZPIIKMFIHAJQSB-RYRKJORJSA-N 1 3 368.522 0.448 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130304969 1201580948 /nfs/dbraw/zinc/58/09/48/1201580948.db2.gz GZPHXOJJIAOIIG-OGWOLHLISA-N 1 3 368.522 0.184 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000807460243 1202829338 /nfs/dbraw/zinc/82/93/38/1202829338.db2.gz GCASKGBESVKVTC-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131007832 1202842189 /nfs/dbraw/zinc/84/21/89/1202842189.db2.gz NHJINXYATBVWPL-NUJGCVRESA-N 1 3 363.506 0.681 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070298 1202856115 /nfs/dbraw/zinc/85/61/15/1202856115.db2.gz OHGMXNUHOMKRQF-BRWVUGGUSA-N 1 3 363.506 0.825 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131091818 1202861328 /nfs/dbraw/zinc/86/13/28/1202861328.db2.gz QMRPXDYGYRFKAT-GVDBMIGSSA-N 1 3 365.522 0.807 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131500056 1202903984 /nfs/dbraw/zinc/90/39/84/1202903984.db2.gz HIQAKSAKKHGQLV-IIVZCXTMSA-N 1 3 366.506 0.058 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131500056 1202903988 /nfs/dbraw/zinc/90/39/88/1202903988.db2.gz HIQAKSAKKHGQLV-IIVZCXTMSA-N 1 3 366.506 0.058 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001131515445 1202907470 /nfs/dbraw/zinc/90/74/70/1202907470.db2.gz KPEFZBYYVOJMAF-NJAFHUGGSA-N 1 3 368.522 0.304 20 0 FCADHO CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604779 1202918582 /nfs/dbraw/zinc/91/85/82/1202918582.db2.gz GRCFKJICFIVBKV-APWZRJJASA-N 1 3 366.506 0.156 20 0 FCADHO Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001086784979 1203092331 /nfs/dbraw/zinc/09/23/31/1203092331.db2.gz DORFKAMCEOLOJU-UXLLHSPISA-N 1 3 365.478 0.862 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]C[C@@H](C)O)cc1 ZINC001090881275 1203329278 /nfs/dbraw/zinc/32/92/78/1203329278.db2.gz DBJWFGCYVWGDBP-JEBQAFNWSA-N 1 3 358.442 0.926 20 0 FCADHO N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1ccc(F)cn1 ZINC001220170574 1224793997 /nfs/dbraw/zinc/79/39/97/1224793997.db2.gz ORAPFUXPKHCMJP-JSGCOSHPSA-N 1 3 364.425 0.110 20 0 FCADHO C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220242838 1224814039 /nfs/dbraw/zinc/81/40/39/1224814039.db2.gz IUMVEXKWKANIEG-JYJNAYRXSA-N 1 3 370.538 0.880 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735102 1204836161 /nfs/dbraw/zinc/83/61/61/1204836161.db2.gz JQXZEWCDEGIBLM-QAPCUYQASA-N 1 3 363.506 0.276 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)CCC1 ZINC001091735102 1204836163 /nfs/dbraw/zinc/83/61/63/1204836163.db2.gz JQXZEWCDEGIBLM-QAPCUYQASA-N 1 3 363.506 0.276 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059809 1204944814 /nfs/dbraw/zinc/94/48/14/1204944814.db2.gz WIGDPAYWEUXBCV-KBAYOESNSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083556 1204971387 /nfs/dbraw/zinc/97/13/87/1204971387.db2.gz KQEZYBBFCKWTFR-CGTJXYLNSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087080945 1204992783 /nfs/dbraw/zinc/99/27/83/1204992783.db2.gz NLXCRYGHSVIDKV-KZNAEPCWSA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001087096522 1205004705 /nfs/dbraw/zinc/00/47/05/1205004705.db2.gz QLJLTGHAJQGDSC-GVDBMIGSSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001087096522 1205004710 /nfs/dbraw/zinc/00/47/10/1205004710.db2.gz QLJLTGHAJQGDSC-GVDBMIGSSA-N 1 3 363.506 0.715 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301501 1205234719 /nfs/dbraw/zinc/23/47/19/1205234719.db2.gz KXEDZFZTDPDLNS-AOIWGVFYSA-N 1 3 360.506 0.933 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301501 1205234720 /nfs/dbraw/zinc/23/47/20/1205234720.db2.gz KXEDZFZTDPDLNS-AOIWGVFYSA-N 1 3 360.506 0.933 20 0 FCADHO CCOC(=O)C1=C(NC(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)CCNC1 ZINC001220525686 1224906260 /nfs/dbraw/zinc/90/62/60/1224906260.db2.gz OOUOVIKFNWIVIR-GFCCVEGCSA-N 1 3 360.414 0.363 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133185 1206032727 /nfs/dbraw/zinc/03/27/27/1206032727.db2.gz VEMSHCSYIZWGTF-IAGOWNOFSA-N 1 3 362.518 0.779 20 0 FCADHO CCn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)nn1 ZINC001093773781 1206114395 /nfs/dbraw/zinc/11/43/95/1206114395.db2.gz APOGDEDRHBPOPT-QGPMSJSTSA-N 1 3 360.506 0.824 20 0 FCADHO CCN1CC[C@@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1=O ZINC001172039706 1206255361 /nfs/dbraw/zinc/25/53/61/1206255361.db2.gz RLCPAZNNZFLIMB-QGZVFWFLSA-N 1 3 360.502 0.821 20 0 FCADHO CCN1CC[C@@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1=O ZINC001172039706 1206255364 /nfs/dbraw/zinc/25/53/64/1206255364.db2.gz RLCPAZNNZFLIMB-QGZVFWFLSA-N 1 3 360.502 0.821 20 0 FCADHO Cn1nnc2c1CCN(C(=O)Cc1c[nH]cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001176829375 1206321544 /nfs/dbraw/zinc/32/15/44/1206321544.db2.gz PWQYZWNPULSMIS-MRXNPFEDSA-N 1 3 373.461 0.319 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NCCCOC)[C@@H]2C)CC[N@@H+]1C ZINC001178736110 1206364137 /nfs/dbraw/zinc/36/41/37/1206364137.db2.gz OMWLZSMKGBGZLS-LUKYLMHMSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NCCCOC)[C@@H]2C)CC[N@H+]1C ZINC001178736110 1206364140 /nfs/dbraw/zinc/36/41/40/1206364140.db2.gz OMWLZSMKGBGZLS-LUKYLMHMSA-N 1 3 368.522 0.448 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000774886833 1206481689 /nfs/dbraw/zinc/48/16/89/1206481689.db2.gz BEKDRLNEHGRTNV-CVEARBPZSA-N 1 3 366.506 0.347 20 0 FCADHO CN(CCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21)c1cc[nH+]cc1 ZINC001188405975 1207454168 /nfs/dbraw/zinc/45/41/68/1207454168.db2.gz XFOHIKKADYHUGM-FUHWJXTLSA-N 1 3 362.474 0.450 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CCCCC1 ZINC001188673221 1207475057 /nfs/dbraw/zinc/47/50/57/1207475057.db2.gz FUQZOJOWEQRKEO-YESZJQIVSA-N 1 3 362.518 0.920 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1=O ZINC001188962579 1207493356 /nfs/dbraw/zinc/49/33/56/1207493356.db2.gz DPRQYEOWXLDFAN-DLBZAZTESA-N 1 3 358.486 0.760 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001190248252 1207668133 /nfs/dbraw/zinc/66/81/33/1207668133.db2.gz ZKMRYIDCCBBMNC-OKZBNKHCSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001190248252 1207668135 /nfs/dbraw/zinc/66/81/35/1207668135.db2.gz ZKMRYIDCCBBMNC-OKZBNKHCSA-N 1 3 368.522 0.402 20 0 FCADHO O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220727544 1225037741 /nfs/dbraw/zinc/03/77/41/1225037741.db2.gz IWDVRCFRSCLGPF-JZXOWHBKSA-N 1 3 356.470 0.997 20 0 FCADHO O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220727544 1225037732 /nfs/dbraw/zinc/03/77/32/1225037732.db2.gz IWDVRCFRSCLGPF-JZXOWHBKSA-N 1 3 356.470 0.997 20 0 FCADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001197320042 1208153382 /nfs/dbraw/zinc/15/33/82/1208153382.db2.gz UADPBSCEOOYWNU-XAWIXRBMSA-N 1 3 369.506 0.074 20 0 FCADHO O=C(c1ccc(CN2CC[C@@H](O)C2)cc1)N(c1ncccn1)C1C[NH2+]C1 ZINC001197608972 1208176995 /nfs/dbraw/zinc/17/69/95/1208176995.db2.gz VPHUJXQDCRDXCM-QGZVFWFLSA-N 1 3 353.426 0.662 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN([C@@H]2CCCc3ccccc32)C[C@H]1O ZINC001197825010 1208201700 /nfs/dbraw/zinc/20/17/00/1208201700.db2.gz AHHDMSIBQBSEDD-GUDVDZBRSA-N 1 3 361.486 0.804 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001489526595 1208881192 /nfs/dbraw/zinc/88/11/92/1208881192.db2.gz BGNQSCHTDBRTAA-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CCOC(=O)C1=C(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)C[NH2+]C1 ZINC001220834275 1225097535 /nfs/dbraw/zinc/09/75/35/1225097535.db2.gz QVGIOYGMORWXLT-UHFFFAOYSA-N 1 3 372.469 0.979 20 0 FCADHO COC(=O)[C@@H](CNC(=O)[C@@H](N)CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840541 1225101234 /nfs/dbraw/zinc/10/12/34/1225101234.db2.gz PCPWOBZLDXNJJL-GJZGRUSLSA-N 1 3 362.430 0.616 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851935458 1209524801 /nfs/dbraw/zinc/52/48/01/1209524801.db2.gz VWNFJJBRNDODKE-NRFANRHFSA-N 1 3 374.529 0.709 20 0 FCADHO O=C(NCC1CCN(C(=O)c2cccnc2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220927935 1225145789 /nfs/dbraw/zinc/14/57/89/1225145789.db2.gz AWUQMFMCZVMSMI-YLJYHZDGSA-N 1 3 371.485 0.249 20 0 FCADHO CN1CCCN(c2ccc(-c3noc(-c4cn(CC[NH3+])nn4)n3)cn2)CC1 ZINC000854146125 1209617044 /nfs/dbraw/zinc/61/70/44/1209617044.db2.gz CNVZXCXOFJIZCA-UHFFFAOYSA-N 1 3 369.433 0.491 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1=O ZINC001220982786 1225173005 /nfs/dbraw/zinc/17/30/05/1225173005.db2.gz LNEDWFNDNZUEOL-INIZCTEOSA-N 1 3 362.449 0.942 20 0 FCADHO NC(=O)c1ccc(CCN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665748 1210000891 /nfs/dbraw/zinc/00/08/91/1210000891.db2.gz GECVQAQCNQPANM-QZTJIDSGSA-N 1 3 371.485 0.548 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000868304823 1210050860 /nfs/dbraw/zinc/05/08/60/1210050860.db2.gz HRSQTJSKEMLOJE-SHTZXODSSA-N 1 3 359.474 0.621 20 0 FCADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001221006968 1225183125 /nfs/dbraw/zinc/18/31/25/1225183125.db2.gz PZKULKNPABJERJ-BZSNNMDCSA-N 1 3 358.486 0.806 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875112061 1210338971 /nfs/dbraw/zinc/33/89/71/1210338971.db2.gz COOWOEKDHMCMIT-INIZCTEOSA-N 1 3 367.538 0.071 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000883437220 1210667088 /nfs/dbraw/zinc/66/70/88/1210667088.db2.gz MUQSEQKMHBQNDP-YESZJQIVSA-N 1 3 365.474 0.972 20 0 FCADHO CCN1CCN(CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234108 1210725026 /nfs/dbraw/zinc/72/50/26/1210725026.db2.gz ICLJMXDJFATMRY-UHFFFAOYSA-N 1 3 360.506 0.249 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000884576685 1210754300 /nfs/dbraw/zinc/75/43/00/1210754300.db2.gz NPCVXSJXYNBCFR-SFHVURJKSA-N 1 3 360.502 0.911 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884577431 1210755689 /nfs/dbraw/zinc/75/56/89/1210755689.db2.gz FFQQPFFSGGHYMY-HOTGVXAUSA-N 1 3 366.506 0.252 20 0 FCADHO CN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1(C[NH3+])CCCCC1 ZINC000884786954 1210794931 /nfs/dbraw/zinc/79/49/31/1210794931.db2.gz BEEHFQLQZYDTBI-INIZCTEOSA-N 1 3 366.506 0.476 20 0 FCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838230 1210800829 /nfs/dbraw/zinc/80/08/29/1210800829.db2.gz FFAIKDQUSIMFQF-MRXNPFEDSA-N 1 3 358.486 0.938 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)Cc1ccccc1 ZINC000884886007 1210802974 /nfs/dbraw/zinc/80/29/74/1210802974.db2.gz GGZGUFUTRMZHQR-MSOLQXFVSA-N 1 3 358.486 0.759 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150410 1210812475 /nfs/dbraw/zinc/81/24/75/1210812475.db2.gz VRFFSLNTLLSEJB-CVEARBPZSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150413 1210812543 /nfs/dbraw/zinc/81/25/43/1210812543.db2.gz VRFFSLNTLLSEJB-JKSUJKDBSA-N 1 3 366.506 0.202 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000885167256 1210814442 /nfs/dbraw/zinc/81/44/42/1210814442.db2.gz LFTMMTBAJSHZMB-OALUTQOASA-N 1 3 370.497 0.904 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885167673 1210814625 /nfs/dbraw/zinc/81/46/25/1210814625.db2.gz ORSYMDMASDIFID-MSOLQXFVSA-N 1 3 358.486 0.758 20 0 FCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885167673 1210814627 /nfs/dbraw/zinc/81/46/27/1210814627.db2.gz ORSYMDMASDIFID-MSOLQXFVSA-N 1 3 358.486 0.758 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@H](O)COC1CCOCC1 ZINC001691719349 1210843164 /nfs/dbraw/zinc/84/31/64/1210843164.db2.gz CTIOAOWYUNUKAP-VYDXJSESSA-N 1 3 357.495 0.074 20 0 FCADHO CCN(C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887067932 1210845291 /nfs/dbraw/zinc/84/52/91/1210845291.db2.gz BYZAPWITFODNBW-MSOLQXFVSA-N 1 3 358.486 0.930 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001274090879 1210878773 /nfs/dbraw/zinc/87/87/73/1210878773.db2.gz LPHBOVDBNQCMGW-SJORKVTESA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068636 1211173360 /nfs/dbraw/zinc/17/33/60/1211173360.db2.gz JTKWMASBEHORPG-AZUAARDMSA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068636 1211173363 /nfs/dbraw/zinc/17/33/63/1211173363.db2.gz JTKWMASBEHORPG-AZUAARDMSA-N 1 3 366.550 0.973 20 0 FCADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cccc(=O)[nH]1 ZINC001275171101 1211188013 /nfs/dbraw/zinc/18/80/13/1211188013.db2.gz DENZZLXVMSANRV-YESZJQIVSA-N 1 3 359.474 0.208 20 0 FCADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cccc(=O)[nH]1 ZINC001275171101 1211188015 /nfs/dbraw/zinc/18/80/15/1211188015.db2.gz DENZZLXVMSANRV-YESZJQIVSA-N 1 3 359.474 0.208 20 0 FCADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325816 1211215448 /nfs/dbraw/zinc/21/54/48/1211215448.db2.gz REVNJMKMANAWFH-WSTZPKSXSA-N 1 3 364.534 0.583 20 0 FCADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325816 1211215451 /nfs/dbraw/zinc/21/54/51/1211215451.db2.gz REVNJMKMANAWFH-WSTZPKSXSA-N 1 3 364.534 0.583 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000363477415 1211294398 /nfs/dbraw/zinc/29/43/98/1211294398.db2.gz VUJQKPVOWKLLMA-SJORKVTESA-N 1 3 363.506 0.563 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000363477415 1211294402 /nfs/dbraw/zinc/29/44/02/1211294402.db2.gz VUJQKPVOWKLLMA-SJORKVTESA-N 1 3 363.506 0.563 20 0 FCADHO COCCOCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001275877550 1211303030 /nfs/dbraw/zinc/30/30/30/1211303030.db2.gz DAJKVWFRDKKVFA-LPHOPBHVSA-N 1 3 367.490 0.790 20 0 FCADHO COCCOCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001275877550 1211303033 /nfs/dbraw/zinc/30/30/33/1211303033.db2.gz DAJKVWFRDKKVFA-LPHOPBHVSA-N 1 3 367.490 0.790 20 0 FCADHO COc1ccncc1CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275929329 1211311199 /nfs/dbraw/zinc/31/11/99/1211311199.db2.gz AWFFCKMJGRZGIS-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc(=O)oc2c1 ZINC001221254099 1225282437 /nfs/dbraw/zinc/28/24/37/1225282437.db2.gz FKUIUMWVYYUFBH-LRDDRELGSA-N 1 3 359.426 0.739 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc(=O)oc2c1 ZINC001221254099 1225282442 /nfs/dbraw/zinc/28/24/42/1225282442.db2.gz FKUIUMWVYYUFBH-LRDDRELGSA-N 1 3 359.426 0.739 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926315027 1211529887 /nfs/dbraw/zinc/52/98/87/1211529887.db2.gz GGRDQYJPSZINBA-INIZCTEOSA-N 1 3 364.465 0.913 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927632159 1211576105 /nfs/dbraw/zinc/57/61/05/1211576105.db2.gz XEBJXVKKBZJCSU-GOEBONIOSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927632159 1211576109 /nfs/dbraw/zinc/57/61/09/1211576109.db2.gz XEBJXVKKBZJCSU-GOEBONIOSA-N 1 3 367.494 0.001 20 0 FCADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976199 1211653472 /nfs/dbraw/zinc/65/34/72/1211653472.db2.gz GMIIXGBASOJQBS-XDNAFOTISA-N 1 3 369.506 0.074 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221398534 1225305971 /nfs/dbraw/zinc/30/59/71/1225305971.db2.gz DAXCUBVEPCZTPG-INIZCTEOSA-N 1 3 352.442 0.331 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935365655 1211876718 /nfs/dbraw/zinc/87/67/18/1211876718.db2.gz KBTIIRJHLLPJGO-BBWFWOEESA-N 1 3 368.522 0.325 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935365655 1211876721 /nfs/dbraw/zinc/87/67/21/1211876721.db2.gz KBTIIRJHLLPJGO-BBWFWOEESA-N 1 3 368.522 0.325 20 0 FCADHO NCc1nnc(-c2ccc(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)cc2)[nH]1 ZINC000566972524 1211901322 /nfs/dbraw/zinc/90/13/22/1211901322.db2.gz GWVRIZJPIUKMEP-ZDUSSCGKSA-N 1 3 367.417 0.526 20 0 FCADHO NCc1nnc(-c2ccc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)cc2)[nH]1 ZINC000566972523 1211901421 /nfs/dbraw/zinc/90/14/21/1211901421.db2.gz GWVRIZJPIUKMEP-CYBMUJFWSA-N 1 3 367.417 0.526 20 0 FCADHO CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281240 1212233200 /nfs/dbraw/zinc/23/32/00/1212233200.db2.gz JTVGBYXMHVMEIM-XDNAFOTISA-N 1 3 371.522 0.320 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1)N(C)C ZINC000960575357 1213826814 /nfs/dbraw/zinc/82/68/14/1213826814.db2.gz IDBUZZQVZDRJRO-YESZJQIVSA-N 1 3 366.506 0.107 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001019070594 1214190634 /nfs/dbraw/zinc/19/06/34/1214190634.db2.gz VEULSCLKMLMOCT-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001019070594 1214190638 /nfs/dbraw/zinc/19/06/38/1214190638.db2.gz VEULSCLKMLMOCT-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C4CC4)N(C)C)C3)C2)CC[N@@H+]1C ZINC001019108287 1214198312 /nfs/dbraw/zinc/19/83/12/1214198312.db2.gz LIVJUNWCDOBORZ-DJIMGWMZSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H](C4CC4)N(C)C)C3)C2)CC[N@H+]1C ZINC001019108287 1214198321 /nfs/dbraw/zinc/19/83/21/1214198321.db2.gz LIVJUNWCDOBORZ-DJIMGWMZSA-N 1 3 362.518 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@@H+]1C ZINC001019494351 1214259014 /nfs/dbraw/zinc/25/90/14/1214259014.db2.gz IFAAFNQFWXMGKS-JKSUJKDBSA-N 1 3 359.474 0.743 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@H+]1C ZINC001019494351 1214259018 /nfs/dbraw/zinc/25/90/18/1214259018.db2.gz IFAAFNQFWXMGKS-JKSUJKDBSA-N 1 3 359.474 0.743 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221944976 1225546092 /nfs/dbraw/zinc/54/60/92/1225546092.db2.gz CUSDTHUZTWDCAS-RCCFBDPRSA-N 1 3 366.506 0.014 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221944976 1225546096 /nfs/dbraw/zinc/54/60/96/1225546096.db2.gz CUSDTHUZTWDCAS-RCCFBDPRSA-N 1 3 366.506 0.014 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936617 1225542669 /nfs/dbraw/zinc/54/26/69/1225542669.db2.gz MWKCNIHCCOWECC-GUDVDZBRSA-N 1 3 365.518 0.648 20 0 FCADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221950293 1225549095 /nfs/dbraw/zinc/54/90/95/1225549095.db2.gz AGKILXPOVKZUFL-FGTMMUONSA-N 1 3 369.506 0.293 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000963149539 1214750619 /nfs/dbraw/zinc/75/06/19/1214750619.db2.gz DHGDPRZZRJUIQA-DZUCGIPZSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000963149539 1214750624 /nfs/dbraw/zinc/75/06/24/1214750624.db2.gz DHGDPRZZRJUIQA-DZUCGIPZSA-N 1 3 359.474 0.884 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COCCOC)C[C@H]21 ZINC001221969097 1225556933 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LXGAWQDKKUXVTN-HXUWFJFHSA-N 1 3 364.534 0.870 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@H+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939972 1225752421 /nfs/dbraw/zinc/75/24/21/1225752421.db2.gz LXGAWQDKKUXVTN-HXUWFJFHSA-N 1 3 364.534 0.870 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900207049 1217971200 /nfs/dbraw/zinc/97/12/00/1217971200.db2.gz JUSIZZRAFNNJKQ-UHFFFAOYSA-N 1 3 365.478 0.450 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C)CC1 ZINC000803541323 1218428416 /nfs/dbraw/zinc/42/84/16/1218428416.db2.gz NCJNIGWCZKTFCE-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(C)CC1 ZINC000803541323 1218428418 /nfs/dbraw/zinc/42/84/18/1218428418.db2.gz NCJNIGWCZKTFCE-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccon1)C1CC1 ZINC001226801132 1225854831 /nfs/dbraw/zinc/85/48/31/1225854831.db2.gz SUKSLHRQEDVRMU-CPUCHLNUSA-N 1 3 363.462 0.970 20 0 FCADHO 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O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070284815 1219349871 /nfs/dbraw/zinc/34/98/71/1219349871.db2.gz WIOFSBQEJQPEPO-IMJJTQAJSA-N 1 3 359.434 0.012 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[nH]1 ZINC001070354570 1219392967 /nfs/dbraw/zinc/39/29/67/1219392967.db2.gz PRMUTNQYNFVBNK-SFTQSGBHSA-N 1 3 359.434 0.430 20 0 FCADHO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCF)CC1 ZINC001070372812 1219402346 /nfs/dbraw/zinc/40/23/46/1219402346.db2.gz IKTPQMLAXQLGCG-NUJGCVRESA-N 1 3 368.497 0.916 20 0 FCADHO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CCF)CC1 ZINC001070372812 1219402350 /nfs/dbraw/zinc/40/23/50/1219402350.db2.gz IKTPQMLAXQLGCG-NUJGCVRESA-N 1 3 368.497 0.916 20 0 FCADHO CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C34CCC[NH+]3CCC4)n2)O1 ZINC001070574694 1219476208 /nfs/dbraw/zinc/47/62/08/1219476208.db2.gz RDHGLOMTCJBBRW-UONOGXRCSA-N 1 3 362.478 0.879 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255040 1225905268 /nfs/dbraw/zinc/90/52/68/1225905268.db2.gz NOBMQMRDAOCLMH-HUUCEWRRSA-N 1 3 369.510 0.581 20 0 FCADHO O=C(N1C[C@@H](C(F)(F)F)[C@H](NCCn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001099332719 1219969907 /nfs/dbraw/zinc/96/99/07/1219969907.db2.gz JFUFYAZWJUEIKJ-ZIAGYGMSSA-N 1 3 371.407 0.958 20 0 FCADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N1CCCCCC1 ZINC001228924412 1225962917 /nfs/dbraw/zinc/96/29/17/1225962917.db2.gz BPFPIROZBXFSCW-RBSFLKMASA-N 1 3 367.494 0.463 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976320 1220449931 /nfs/dbraw/zinc/44/99/31/1220449931.db2.gz WXQISATYPFXTSD-ZTFGCOKTSA-N 1 3 362.518 0.539 20 0 FCADHO COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045962 1220476336 /nfs/dbraw/zinc/47/63/36/1220476336.db2.gz FAFZBYOINKBLQO-BRWVUGGUSA-N 1 3 371.522 0.179 20 0 FCADHO COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045962 1220476341 /nfs/dbraw/zinc/47/63/41/1220476341.db2.gz FAFZBYOINKBLQO-BRWVUGGUSA-N 1 3 371.522 0.179 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001102108663 1220498995 /nfs/dbraw/zinc/49/89/95/1220498995.db2.gz WQPINNXFWPELEK-INMHGKMJSA-N 1 3 359.474 0.481 20 0 FCADHO CCOCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171395 1220533190 /nfs/dbraw/zinc/53/31/90/1220533190.db2.gz VQHXENYRMYZWPP-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO CCOCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171395 1220533198 /nfs/dbraw/zinc/53/31/98/1220533198.db2.gz VQHXENYRMYZWPP-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102189099 1220542628 /nfs/dbraw/zinc/54/26/28/1220542628.db2.gz WBADUCBCRVBEKV-IDHHARJASA-N 1 3 362.518 0.824 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330200 1220585117 /nfs/dbraw/zinc/58/51/17/1220585117.db2.gz IPFQPHNDTGLNMF-BRWVUGGUSA-N 1 3 369.554 0.964 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330200 1220585121 /nfs/dbraw/zinc/58/51/21/1220585121.db2.gz IPFQPHNDTGLNMF-BRWVUGGUSA-N 1 3 369.554 0.964 20 0 FCADHO C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488709 1220652017 /nfs/dbraw/zinc/65/20/17/1220652017.db2.gz FWZLEZHHIBTFJM-INMHGKMJSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515538 1220674547 /nfs/dbraw/zinc/67/45/47/1220674547.db2.gz XROXCZGYTKUGHE-NVXWUHKLSA-N 1 3 362.518 0.635 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102532623 1220685161 /nfs/dbraw/zinc/68/51/61/1220685161.db2.gz WWXALNOZECTALT-OIISXLGYSA-N 1 3 366.506 0.978 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102532623 1220685162 /nfs/dbraw/zinc/68/51/62/1220685162.db2.gz WWXALNOZECTALT-OIISXLGYSA-N 1 3 366.506 0.978 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089783 1220831222 /nfs/dbraw/zinc/83/12/22/1220831222.db2.gz BAORRJBUZMNMEJ-HZSPNIEDSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089783 1220831223 /nfs/dbraw/zinc/83/12/23/1220831223.db2.gz BAORRJBUZMNMEJ-HZSPNIEDSA-N 1 3 367.494 0.128 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001103269855 1220858995 /nfs/dbraw/zinc/85/89/95/1220858995.db2.gz RZBBIHOIHDWJQF-NVXWUHKLSA-N 1 3 360.502 0.964 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001103437277 1220882305 /nfs/dbraw/zinc/88/23/05/1220882305.db2.gz RJRUECDACMIOBQ-CRAIPNDOSA-N 1 3 360.502 0.964 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665697 1220933553 /nfs/dbraw/zinc/93/35/53/1220933553.db2.gz QEOUTUCNYIWQCG-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103665697 1220933555 /nfs/dbraw/zinc/93/35/55/1220933555.db2.gz QEOUTUCNYIWQCG-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719246 1220953242 /nfs/dbraw/zinc/95/32/42/1220953242.db2.gz WKXWQKLSHXQGKC-NXHRZFHOSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719246 1220953245 /nfs/dbraw/zinc/95/32/45/1220953245.db2.gz WKXWQKLSHXQGKC-NXHRZFHOSA-N 1 3 364.534 0.881 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001103999904 1220996337 /nfs/dbraw/zinc/99/63/37/1220996337.db2.gz ORJYBNIBICLPRT-KFWWJZLASA-N 1 3 367.494 0.001 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112436701 1221258925 /nfs/dbraw/zinc/25/89/25/1221258925.db2.gz ASTZWTPXPLVWQH-UGSOOPFHSA-N 1 3 367.494 0.130 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccon1 ZINC001229716838 1226030638 /nfs/dbraw/zinc/03/06/38/1226030638.db2.gz LZVVYIMEYUBRSW-ZIAGYGMSSA-N 1 3 367.450 0.208 20 0 FCADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229932919 1226040438 /nfs/dbraw/zinc/04/04/38/1226040438.db2.gz CWLVSPFKIXWIEO-BZUAXINKSA-N 1 3 368.478 0.302 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001118389499 1221772749 /nfs/dbraw/zinc/77/27/49/1221772749.db2.gz ILYVYUQAQQXIDG-KRWDZBQOSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC001119427435 1221916482 /nfs/dbraw/zinc/91/64/82/1221916482.db2.gz PRLZFOABUAVOJF-IYBDPMFKSA-N 1 3 373.501 0.400 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354332 1222872771 /nfs/dbraw/zinc/87/27/71/1222872771.db2.gz ZCCHPXFJMZLRAS-KBPBESRZSA-N 1 3 365.478 0.722 20 0 FCADHO CC[C@@H](O)C[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001277712903 1226169195 /nfs/dbraw/zinc/16/91/95/1226169195.db2.gz OBEUXSDGGSPSAH-GOSISDBHSA-N 1 3 366.550 0.709 20 0 FCADHO CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc(CN)ncn1 ZINC001156700153 1223060965 /nfs/dbraw/zinc/06/09/65/1223060965.db2.gz HHFCHYLWYRTFFB-UHFFFAOYSA-N 1 3 374.470 0.430 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001157325136 1223074530 /nfs/dbraw/zinc/07/45/30/1223074530.db2.gz PXJKUKBPZYVYMV-KRWDZBQOSA-N 1 3 361.490 0.653 20 0 FCADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118620 1223089757 /nfs/dbraw/zinc/08/97/57/1223089757.db2.gz BYIIQHXGUVIUDN-XGHQBKJUSA-N 1 3 368.481 0.808 20 0 FCADHO CC(C)n1nccc1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158389321 1223096279 /nfs/dbraw/zinc/09/62/79/1223096279.db2.gz ARSSINJYYKMTSM-HUUCEWRRSA-N 1 3 364.494 0.839 20 0 FCADHO CC(C)n1nccc1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158389321 1223096281 /nfs/dbraw/zinc/09/62/81/1223096281.db2.gz ARSSINJYYKMTSM-HUUCEWRRSA-N 1 3 364.494 0.839 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2c(C)n[nH]c2C)CC[N@@H+]1C ZINC001158413046 1223097576 /nfs/dbraw/zinc/09/75/76/1223097576.db2.gz UJRUDNPDKLZEIK-LSDHHAIUSA-N 1 3 364.494 0.791 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2c(C)n[nH]c2C)CC[N@H+]1C ZINC001158413046 1223097582 /nfs/dbraw/zinc/09/75/82/1223097582.db2.gz UJRUDNPDKLZEIK-LSDHHAIUSA-N 1 3 364.494 0.791 20 0 FCADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158567646 1223102126 /nfs/dbraw/zinc/10/21/26/1223102126.db2.gz JEYXGQKTDAINNR-QRVBRYPASA-N 1 3 370.497 0.440 20 0 FCADHO O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158567646 1223102129 /nfs/dbraw/zinc/10/21/29/1223102129.db2.gz JEYXGQKTDAINNR-QRVBRYPASA-N 1 3 370.497 0.440 20 0 FCADHO N[C@@H](C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)C1CC[NH2+]CC1 ZINC001158682048 1223104945 /nfs/dbraw/zinc/10/49/45/1223104945.db2.gz RNIDXONWFDBEQV-WJFTUGDTSA-N 1 3 374.485 0.684 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821714 1223110445 /nfs/dbraw/zinc/11/04/45/1223110445.db2.gz PQOCGLAPJCYMHU-HNNXBMFYSA-N 1 3 370.457 0.678 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821714 1223110447 /nfs/dbraw/zinc/11/04/47/1223110447.db2.gz PQOCGLAPJCYMHU-HNNXBMFYSA-N 1 3 370.457 0.678 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821715 1223110568 /nfs/dbraw/zinc/11/05/68/1223110568.db2.gz PQOCGLAPJCYMHU-OAHLLOKOSA-N 1 3 370.457 0.678 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821715 1223110570 /nfs/dbraw/zinc/11/05/70/1223110570.db2.gz PQOCGLAPJCYMHU-OAHLLOKOSA-N 1 3 370.457 0.678 20 0 FCADHO C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]2O1 ZINC001158863757 1223111636 /nfs/dbraw/zinc/11/16/36/1223111636.db2.gz SRLNSATZFIWNHS-QUSNUVHPSA-N 1 3 366.506 0.460 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935484 1223113395 /nfs/dbraw/zinc/11/33/95/1223113395.db2.gz STNAODVXMLUNQB-RCCFBDPRSA-N 1 3 373.501 0.843 20 0 FCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cn1 ZINC001159083933 1223117119 /nfs/dbraw/zinc/11/71/19/1223117119.db2.gz CSEKICPYUIMKEM-HRCADAONSA-N 1 3 372.473 0.001 20 0 FCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001159083933 1223117120 /nfs/dbraw/zinc/11/71/20/1223117120.db2.gz CSEKICPYUIMKEM-HRCADAONSA-N 1 3 372.473 0.001 20 0 FCADHO N[C@@H](C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192894 1223119957 /nfs/dbraw/zinc/11/99/57/1223119957.db2.gz YTVPLRDKUYGIKB-CRAIPNDOSA-N 1 3 361.490 0.595 20 0 FCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)[C@H]2C ZINC001159632994 1223131952 /nfs/dbraw/zinc/13/19/52/1223131952.db2.gz DVKVASBCFUYOKB-DOXZYTNZSA-N 1 3 360.506 0.578 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159697497 1223134750 /nfs/dbraw/zinc/13/47/50/1223134750.db2.gz HRCHFKLDCXFTSK-LUKYLMHMSA-N 1 3 362.474 0.923 20 0 FCADHO CN1Cc2ccccc2CC2(CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)C1=O ZINC001159790623 1223136646 /nfs/dbraw/zinc/13/66/46/1223136646.db2.gz IVSGSEPNWHZSPX-KRWDZBQOSA-N 1 3 358.486 0.876 20 0 FCADHO O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]21 ZINC001160121047 1223146174 /nfs/dbraw/zinc/14/61/74/1223146174.db2.gz WCPXHARAZNGWAR-NRTGNBEESA-N 1 3 358.442 0.152 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129311 1223146615 /nfs/dbraw/zinc/14/66/15/1223146615.db2.gz VATYUKLGVCNFSV-HNNXBMFYSA-N 1 3 360.462 0.863 20 0 FCADHO CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001160323186 1223155086 /nfs/dbraw/zinc/15/50/86/1223155086.db2.gz JFAOJTNVEZVDQZ-HUUCEWRRSA-N 1 3 374.489 0.032 20 0 FCADHO CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001160323638 1223155104 /nfs/dbraw/zinc/15/51/04/1223155104.db2.gz NIMFFJQHRSSCRY-GJZGRUSLSA-N 1 3 364.494 0.679 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356579 1223156637 /nfs/dbraw/zinc/15/66/37/1223156637.db2.gz DEXUJKDKDFVUIW-KBXCAEBGSA-N 1 3 364.446 0.179 20 0 FCADHO O=C(C1CC2(C[NH2+]C2)C1)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001160404927 1223157689 /nfs/dbraw/zinc/15/76/89/1223157689.db2.gz DOHVGAKJVMMPPV-UHFFFAOYSA-N 1 3 367.457 0.699 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160412275 1223157837 /nfs/dbraw/zinc/15/78/37/1223157837.db2.gz KDSZNHPMGCIUHD-MWDXBVQZSA-N 1 3 365.478 0.114 20 0 FCADHO O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160442900 1223159828 /nfs/dbraw/zinc/15/98/28/1223159828.db2.gz BZEFPQDLTYSABW-IIBYNOLFSA-N 1 3 368.481 0.766 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC001160538090 1223164041 /nfs/dbraw/zinc/16/40/41/1223164041.db2.gz TYJIMJKDROSXEB-INIZCTEOSA-N 1 3 357.458 0.909 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC001160556036 1223164480 /nfs/dbraw/zinc/16/44/80/1223164480.db2.gz JZRCMDUDUXOZCW-CQSZACIVSA-N 1 3 356.426 0.567 20 0 FCADHO COc1cccnc1N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160846820 1223177257 /nfs/dbraw/zinc/17/72/57/1223177257.db2.gz OMNDAYMMPYBNPW-HNNXBMFYSA-N 1 3 359.474 0.613 20 0 FCADHO COc1cccnc1N1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160846820 1223177259 /nfs/dbraw/zinc/17/72/59/1223177259.db2.gz OMNDAYMMPYBNPW-HNNXBMFYSA-N 1 3 359.474 0.613 20 0 FCADHO COCCOc1cccc(N2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)c1 ZINC001160943064 1223180783 /nfs/dbraw/zinc/18/07/83/1223180783.db2.gz HCFOMLRYKLJVET-GOSISDBHSA-N 1 3 374.485 0.169 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])CN2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160958648 1223181538 /nfs/dbraw/zinc/18/15/38/1223181538.db2.gz CTVBIOHXJRCART-DHMWGJHJSA-N 1 3 357.462 0.320 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160958648 1223181542 /nfs/dbraw/zinc/18/15/42/1223181542.db2.gz CTVBIOHXJRCART-DHMWGJHJSA-N 1 3 357.462 0.320 20 0 FCADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161026409 1223183811 /nfs/dbraw/zinc/18/38/11/1223183811.db2.gz HGGBOKSPHZWMRO-IAGOWNOFSA-N 1 3 357.454 0.987 20 0 FCADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161026409 1223183813 /nfs/dbraw/zinc/18/38/13/1223183813.db2.gz HGGBOKSPHZWMRO-IAGOWNOFSA-N 1 3 357.454 0.987 20 0 FCADHO [NH3+]C1CCN(c2cccc(NCCOCCN3C(=O)C=CC3=O)n2)CC1 ZINC001161028052 1223183919 /nfs/dbraw/zinc/18/39/19/1223183919.db2.gz RUBJDQIQNCCGST-UHFFFAOYSA-N 1 3 359.430 0.363 20 0 FCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377868 1223197013 /nfs/dbraw/zinc/19/70/13/1223197013.db2.gz IZPXHXAKFJWQEX-MOPGFXCFSA-N 1 3 360.502 0.815 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@H](N)c1ccc(OC)nc1)CC2 ZINC001161480561 1223200785 /nfs/dbraw/zinc/20/07/85/1223200785.db2.gz UVLVWJFILCYVHV-SUNYJGFJSA-N 1 3 362.430 0.234 20 0 FCADHO CN(CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)CC(C)(C)C ZINC001205511102 1223329194 /nfs/dbraw/zinc/32/91/94/1223329194.db2.gz XABZPHHSLAOECI-DLBZAZTESA-N 1 3 367.534 0.896 20 0 FCADHO COCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001205512485 1223329654 /nfs/dbraw/zinc/32/96/54/1223329654.db2.gz URCXNLPWHIOWHS-DLBZAZTESA-N 1 3 362.474 0.928 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448276 1223545975 /nfs/dbraw/zinc/54/59/75/1223545975.db2.gz ZVIRYBVXQRWQHQ-JFIYKMOQSA-N 1 3 371.522 0.321 20 0 FCADHO Cn1cc(C(=O)N[C@H]2C[N@H+](C[C@H]3CCCN(C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208610000 1223562762 /nfs/dbraw/zinc/56/27/62/1223562762.db2.gz XUAQTPNJEKPTAY-DZJNRPSUSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1cc(C(=O)N[C@H]2C[N@@H+](C[C@H]3CCCN(C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208610000 1223562765 /nfs/dbraw/zinc/56/27/65/1223562765.db2.gz XUAQTPNJEKPTAY-DZJNRPSUSA-N 1 3 361.490 0.724 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN(C[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001208613050 1223563166 /nfs/dbraw/zinc/56/31/66/1223563166.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 1 3 366.550 0.831 20 0 FCADHO CN(C)C(=O)CN1CCOCC2(CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208613050 1223563170 /nfs/dbraw/zinc/56/31/70/1223563170.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 1 3 366.550 0.831 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCN(C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616126 1223564219 /nfs/dbraw/zinc/56/42/19/1223564219.db2.gz XUAQTPNJEKPTAY-DZOHQFGASA-N 1 3 361.490 0.724 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCN(C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616126 1223564224 /nfs/dbraw/zinc/56/42/24/1223564224.db2.gz XUAQTPNJEKPTAY-DZOHQFGASA-N 1 3 361.490 0.724 20 0 FCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952873 1223587564 /nfs/dbraw/zinc/58/75/64/1223587564.db2.gz WCCWCVAAZUNYKJ-TZIWHRDSSA-N 1 3 370.497 0.931 20 0 FCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952873 1223587566 /nfs/dbraw/zinc/58/75/66/1223587566.db2.gz WCCWCVAAZUNYKJ-TZIWHRDSSA-N 1 3 370.497 0.931 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3c[nH]c4cnccc34)C2)OCC1=O ZINC001276631771 1223610035 /nfs/dbraw/zinc/61/00/35/1223610035.db2.gz ATOMPTDYPXDVHP-IBGZPJMESA-N 1 3 357.458 0.928 20 0 FCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209724180 1223644249 /nfs/dbraw/zinc/64/42/49/1223644249.db2.gz IWTXHUMQHLPWDI-KSZLIROESA-N 1 3 358.486 0.658 20 0 FCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209724180 1223644253 /nfs/dbraw/zinc/64/42/53/1223644253.db2.gz IWTXHUMQHLPWDI-KSZLIROESA-N 1 3 358.486 0.658 20 0 FCADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349944 1223736639 /nfs/dbraw/zinc/73/66/39/1223736639.db2.gz KYUNRXVWMNYLSD-KZNAEPCWSA-N 1 3 371.522 0.323 20 0 FCADHO CCOC(=O)[C@H]1CNCCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001211362464 1223737218 /nfs/dbraw/zinc/73/72/18/1223737218.db2.gz KFWGFNBFXAQHSS-QGZVFWFLSA-N 1 3 372.473 0.533 20 0 FCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001213189931 1223765344 /nfs/dbraw/zinc/76/53/44/1223765344.db2.gz JLRIJWFLDJYITF-RVKOJVRFSA-N 1 3 369.481 0.805 20 0 FCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001213189931 1223765348 /nfs/dbraw/zinc/76/53/48/1223765348.db2.gz JLRIJWFLDJYITF-RVKOJVRFSA-N 1 3 369.481 0.805 20 0 FCADHO CO[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638546 1223825944 /nfs/dbraw/zinc/82/59/44/1223825944.db2.gz SXXSKZJHHUOTMD-KBAYOESNSA-N 1 3 369.506 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001214336248 1223902024 /nfs/dbraw/zinc/90/20/24/1223902024.db2.gz ZMMKXOCRTQRPIQ-OIISXLGYSA-N 1 3 362.474 0.769 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001214757227 1223939071 /nfs/dbraw/zinc/93/90/71/1223939071.db2.gz FJFCPKXDQGAZCJ-DJIMGWMZSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214847543 1223947315 /nfs/dbraw/zinc/94/73/15/1223947315.db2.gz IZYYHECNKKIHFT-BZUAXINKSA-N 1 3 366.506 0.202 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889111 1223952100 /nfs/dbraw/zinc/95/21/00/1223952100.db2.gz HNLOTELJJWZEQR-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889111 1223952103 /nfs/dbraw/zinc/95/21/03/1223952103.db2.gz HNLOTELJJWZEQR-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015042 1223964509 /nfs/dbraw/zinc/96/45/09/1223964509.db2.gz CZBBESSFRRHACI-NVXWUHKLSA-N 1 3 361.490 0.869 20 0 FCADHO C[C@H](NC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C1CC1 ZINC001215058310 1223968926 /nfs/dbraw/zinc/96/89/26/1223968926.db2.gz JTENJRUBPCDLBD-HLLBOEOZSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215056838 1223969065 /nfs/dbraw/zinc/96/90/65/1223969065.db2.gz KINXAFANSNTWDS-NVXWUHKLSA-N 1 3 362.518 0.920 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423988 1223998883 /nfs/dbraw/zinc/99/88/83/1223998883.db2.gz ZUCGZAYOWRMRAK-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CC(C)n1nccc1NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458972 1224000855 /nfs/dbraw/zinc/00/08/55/1224000855.db2.gz RVWLYCYUFDQXLB-HUUCEWRRSA-N 1 3 364.494 0.791 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215544529 1224005537 /nfs/dbraw/zinc/00/55/37/1224005537.db2.gz ZBKIBBFUAKQFKI-ZMSDIMECSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1)[NH+]1CCCC1 ZINC001215598346 1224008340 /nfs/dbraw/zinc/00/83/40/1224008340.db2.gz ADVFVENACQOGGY-HLLBOEOZSA-N 1 3 364.494 0.253 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599069 1224008982 /nfs/dbraw/zinc/00/89/82/1224008982.db2.gz PQDQHXDDRSMVOL-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604732 1224009445 /nfs/dbraw/zinc/00/94/45/1224009445.db2.gz FZSGJSCQRHHKFR-OQIJWPOYSA-N 1 3 372.513 0.904 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604732 1224009450 /nfs/dbraw/zinc/00/94/50/1224009450.db2.gz FZSGJSCQRHHKFR-OQIJWPOYSA-N 1 3 372.513 0.904 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccc(C(N)=O)c4)C[C@H]32)CC[N@@H+]1C ZINC000978185835 1248718650 /nfs/dbraw/zinc/71/86/50/1248718650.db2.gz WLENFSBNTJFCRY-PYJZQUQOSA-N 1 3 370.497 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccc(C(N)=O)c4)C[C@H]32)CC[N@H+]1C ZINC000978185835 1248718660 /nfs/dbraw/zinc/71/86/60/1248718660.db2.gz WLENFSBNTJFCRY-PYJZQUQOSA-N 1 3 370.497 0.920 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001215989426 1224028892 /nfs/dbraw/zinc/02/88/92/1224028892.db2.gz BDCONXYYIUXUKZ-VNHYZAJKSA-N 1 3 367.494 0.141 20 0 FCADHO CCOCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216213576 1224039296 /nfs/dbraw/zinc/03/92/96/1224039296.db2.gz OGWLSBZZLMBQNQ-IXDOHACOSA-N 1 3 370.538 0.696 20 0 FCADHO CCOCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216213576 1224039298 /nfs/dbraw/zinc/03/92/98/1224039298.db2.gz OGWLSBZZLMBQNQ-IXDOHACOSA-N 1 3 370.538 0.696 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214178 1224039454 /nfs/dbraw/zinc/03/94/54/1224039454.db2.gz XSDOQPIPOBYSFM-VNHYZAJKSA-N 1 3 367.494 0.141 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214178 1224039457 /nfs/dbraw/zinc/03/94/57/1224039457.db2.gz XSDOQPIPOBYSFM-VNHYZAJKSA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216410109 1224048968 /nfs/dbraw/zinc/04/89/68/1224048968.db2.gz REHBZUXKQVLEAU-BFYDXBDKSA-N 1 3 362.518 0.966 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001216493819 1224052906 /nfs/dbraw/zinc/05/29/06/1224052906.db2.gz CGYKTQLPBJBQHJ-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001216493819 1224052908 /nfs/dbraw/zinc/05/29/08/1224052908.db2.gz CGYKTQLPBJBQHJ-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCCOC)C1 ZINC001216490655 1224053186 /nfs/dbraw/zinc/05/31/86/1224053186.db2.gz IWSAZUNALQGOGD-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCCOC)C1 ZINC001216490655 1224053189 /nfs/dbraw/zinc/05/31/89/1224053189.db2.gz IWSAZUNALQGOGD-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216841008 1224077875 /nfs/dbraw/zinc/07/78/75/1224077875.db2.gz LXGDWCKTFTYYMW-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCCC1 ZINC001216846708 1224078742 /nfs/dbraw/zinc/07/87/42/1224078742.db2.gz VDXXYGCWWAHLCT-IIAWOOMASA-N 1 3 367.494 0.128 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517433 1245505026 /nfs/dbraw/zinc/50/50/26/1245505026.db2.gz JHMDIPCIDRNUIP-DZOHQFGASA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517433 1245505032 /nfs/dbraw/zinc/50/50/32/1245505032.db2.gz JHMDIPCIDRNUIP-DZOHQFGASA-N 1 3 356.470 0.670 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1)N(C)C ZINC000943465727 1247330722 /nfs/dbraw/zinc/33/07/22/1247330722.db2.gz MEXICWJBJIIWEA-OWCLPIDISA-N 1 3 366.506 0.297 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976611907 1248293533 /nfs/dbraw/zinc/29/35/33/1248293533.db2.gz YOIPYCYPBSVZDK-SQZHQNNWSA-N 1 3 362.518 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@H]32)CC[N@H+]1C ZINC000976611907 1248293544 /nfs/dbraw/zinc/29/35/44/1248293544.db2.gz YOIPYCYPBSVZDK-SQZHQNNWSA-N 1 3 362.518 0.632 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335287 1251319831 /nfs/dbraw/zinc/31/98/31/1251319831.db2.gz XBZOSCGKUWMIMW-IXDOHACOSA-N 1 3 358.486 0.644 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996335287 1251319835 /nfs/dbraw/zinc/31/98/35/1251319835.db2.gz XBZOSCGKUWMIMW-IXDOHACOSA-N 1 3 358.486 0.644 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001027416301 1253850910 /nfs/dbraw/zinc/85/09/10/1253850910.db2.gz DGSJITFFIYHDJR-OWCLPIDISA-N 1 3 364.490 0.398 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001027416301 1253850917 /nfs/dbraw/zinc/85/09/17/1253850917.db2.gz DGSJITFFIYHDJR-OWCLPIDISA-N 1 3 364.490 0.398 20 0 FCADHO CCCN(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001055967422 1254089032 /nfs/dbraw/zinc/08/90/32/1254089032.db2.gz RJGXNPWZCZXUNO-MDZRGWNJSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001055967422 1254089039 /nfs/dbraw/zinc/08/90/39/1254089039.db2.gz RJGXNPWZCZXUNO-MDZRGWNJSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CN(CC)CC)CCO2)CC[N@@H+]1C ZINC001065178521 1254479809 /nfs/dbraw/zinc/47/98/09/1254479809.db2.gz UCCTXDZQBGVBBU-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(C(=O)CN(CC)CC)CCO2)CC[N@H+]1C ZINC001065178521 1254479813 /nfs/dbraw/zinc/47/98/13/1254479813.db2.gz UCCTXDZQBGVBBU-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001520274985 1265894605 /nfs/dbraw/zinc/89/46/05/1265894605.db2.gz QMZRFYHXHOTYBN-SJORKVTESA-N 1 3 352.523 0.977 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3cncn3C)C2)CC[N@@H+]1C ZINC001078403598 1255406881 /nfs/dbraw/zinc/40/68/81/1255406881.db2.gz CTOZHYXLFYDFLX-FGTMMUONSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3cncn3C)C2)CC[N@H+]1C ZINC001078403598 1255406890 /nfs/dbraw/zinc/40/68/90/1255406890.db2.gz CTOZHYXLFYDFLX-FGTMMUONSA-N 1 3 363.506 0.858 20 0 FCADHO CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001081959514 1256474093 /nfs/dbraw/zinc/47/40/93/1256474093.db2.gz LBCVNPQSDVDTPJ-MOXMWUHRSA-N 1 3 363.502 0.855 20 0 FCADHO CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001081959514 1256474095 /nfs/dbraw/zinc/47/40/95/1256474095.db2.gz LBCVNPQSDVDTPJ-MOXMWUHRSA-N 1 3 363.502 0.855 20 0 FCADHO CO[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328596 1256671144 /nfs/dbraw/zinc/67/11/44/1256671144.db2.gz BIVIPEPDBOGKHO-FGTMMUONSA-N 1 3 365.518 0.839 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082570192 1256876953 /nfs/dbraw/zinc/87/69/53/1256876953.db2.gz BJWSWBLPCWBLMA-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082570192 1256876962 /nfs/dbraw/zinc/87/69/62/1256876962.db2.gz BJWSWBLPCWBLMA-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082653593 1256957907 /nfs/dbraw/zinc/95/79/07/1256957907.db2.gz SLJPDIFEYOKVIJ-UYJRAODCSA-N 1 3 359.474 0.220 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1)N(C)C ZINC001082748629 1257028496 /nfs/dbraw/zinc/02/84/96/1257028496.db2.gz UJLXFTFONCLVER-MCIONIFRSA-N 1 3 367.494 0.094 20 0 FCADHO CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4ccncc4)n3)[C@H]2C1 ZINC001083140201 1257389622 /nfs/dbraw/zinc/38/96/22/1257389622.db2.gz RNJWZEADLRNPRW-FHLIZLRMSA-N 1 3 371.441 0.827 20 0 FCADHO CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4ccncc4)n3)[C@H]2C1 ZINC001083140201 1257389631 /nfs/dbraw/zinc/38/96/31/1257389631.db2.gz RNJWZEADLRNPRW-FHLIZLRMSA-N 1 3 371.441 0.827 20 0 FCADHO CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172149 1258693528 /nfs/dbraw/zinc/69/35/28/1258693528.db2.gz YEXGEOMTYRIIIZ-IXDOHACOSA-N 1 3 360.502 0.483 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC001331416734 1266213090 /nfs/dbraw/zinc/21/30/90/1266213090.db2.gz WCVPWKZERSBGEU-HNNXBMFYSA-N 1 3 361.490 0.739 20 0 FCADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105662631 1258922745 /nfs/dbraw/zinc/92/27/45/1258922745.db2.gz POOHHOXYAPHJAD-LTDCPUDJSA-N 1 3 368.522 0.040 20 0 FCADHO CCN(C)C(=O)CN1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609522 1259134475 /nfs/dbraw/zinc/13/44/75/1259134475.db2.gz VWXGFBRQJLKDDT-VQIMIIECSA-N 1 3 368.522 0.404 20 0 FCADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107617292 1259135324 /nfs/dbraw/zinc/13/53/24/1259135324.db2.gz CRJKUNYALGBUMW-VQIMIIECSA-N 1 3 365.522 0.714 20 0 FCADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107617292 1259135326 /nfs/dbraw/zinc/13/53/26/1259135326.db2.gz CRJKUNYALGBUMW-VQIMIIECSA-N 1 3 365.522 0.714 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001127571449 1259181983 /nfs/dbraw/zinc/18/19/83/1259181983.db2.gz SDESTLBDZOYNEV-XYPHTWIQSA-N 1 3 366.506 0.106 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)CC[N@@H+]1C ZINC001127701466 1259184996 /nfs/dbraw/zinc/18/49/96/1259184996.db2.gz POYHBESFFISQTC-GVDBMIGSSA-N 1 3 366.506 0.060 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)CC[N@H+]1C ZINC001127701466 1259185004 /nfs/dbraw/zinc/18/50/04/1259185004.db2.gz POYHBESFFISQTC-GVDBMIGSSA-N 1 3 366.506 0.060 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)C1 ZINC001129228270 1259349609 /nfs/dbraw/zinc/34/96/09/1259349609.db2.gz LFAQFAXANFDETR-BACDZXNISA-N 1 3 364.494 0.386 20 0 FCADHO CCCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538026 1259416465 /nfs/dbraw/zinc/41/64/65/1259416465.db2.gz VVAPRSMAPJOMSO-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538026 1259416470 /nfs/dbraw/zinc/41/64/70/1259416470.db2.gz VVAPRSMAPJOMSO-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674681 1259426013 /nfs/dbraw/zinc/42/60/13/1259426013.db2.gz GOHCAUJQNFFMPU-BPQIPLTHSA-N 1 3 358.486 0.658 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674681 1259426019 /nfs/dbraw/zinc/42/60/19/1259426019.db2.gz GOHCAUJQNFFMPU-BPQIPLTHSA-N 1 3 358.486 0.658 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccc(OC)nc3OC)C[C@H]1C2 ZINC001236027320 1259586418 /nfs/dbraw/zinc/58/64/18/1259586418.db2.gz OWYBOMLLXBAGSU-GJRWTSMGSA-N 1 3 361.442 0.929 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1cccc(N)c1)CC2 ZINC001237216584 1259597340 /nfs/dbraw/zinc/59/73/40/1259597340.db2.gz UNYYYWNNLJFNBS-UHFFFAOYSA-N 1 3 359.518 0.939 20 0 FCADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214449 1259622873 /nfs/dbraw/zinc/62/28/73/1259622873.db2.gz HBZYIZFGMHMGHN-KBPBESRZSA-N 1 3 370.494 0.517 20 0 FCADHO O[C@]1(CN2CCCn3cnc(CNC4CCOCC4)c3C2)CCC[NH2+]C1 ZINC001246042751 1259644980 /nfs/dbraw/zinc/64/49/80/1259644980.db2.gz HOIGVIHJEKTHSW-LJQANCHMSA-N 1 3 363.506 0.472 20 0 FCADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246083889 1259648918 /nfs/dbraw/zinc/64/89/18/1259648918.db2.gz QEXMHYHYMFWBSR-KBXCAEBGSA-N 1 3 374.453 0.694 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246549317 1259654416 /nfs/dbraw/zinc/65/44/16/1259654416.db2.gz KAVRMPWURACSIG-BFHYXJOUSA-N 1 3 362.478 0.414 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@H]3CC[C@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738831 1259676051 /nfs/dbraw/zinc/67/60/51/1259676051.db2.gz OPJDZGKJAZAOLN-YIOZNXECSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@H]3CC[C@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738831 1259676060 /nfs/dbraw/zinc/67/60/60/1259676060.db2.gz OPJDZGKJAZAOLN-YIOZNXECSA-N 1 3 358.490 0.634 20 0 FCADHO O=C1N(Cc2ccncc2)CC[C@]12CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753728 1259679026 /nfs/dbraw/zinc/67/90/26/1259679026.db2.gz CNRYYCJDKWCYOT-ICSRJNTNSA-N 1 3 369.513 0.990 20 0 FCADHO O=C1N(c2cncnc2)CC[C@@]12CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765380 1259683947 /nfs/dbraw/zinc/68/39/47/1259683947.db2.gz JMQLBAYIUXWIOH-CRAIPNDOSA-N 1 3 356.474 0.390 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762560 1259684327 /nfs/dbraw/zinc/68/43/27/1259684327.db2.gz CRKOVUBSJOZCQY-QKGUJMCYSA-N 1 3 361.490 0.627 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762560 1259684334 /nfs/dbraw/zinc/68/43/34/1259684334.db2.gz CRKOVUBSJOZCQY-QKGUJMCYSA-N 1 3 361.490 0.627 20 0 FCADHO Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)cc1 ZINC001331755519 1266278749 /nfs/dbraw/zinc/27/87/49/1266278749.db2.gz YYOSXBLXKLKVOV-SFHVURJKSA-N 1 3 374.485 0.134 20 0 FCADHO Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)cc1 ZINC001331755519 1266278756 /nfs/dbraw/zinc/27/87/56/1266278756.db2.gz YYOSXBLXKLKVOV-SFHVURJKSA-N 1 3 374.485 0.134 20 0 FCADHO c1cc(-c2noc([C@H]3C[NH2+]CC34CNC4)n2)ccc1CN1CCOCC1 ZINC001247828291 1259705509 /nfs/dbraw/zinc/70/55/09/1259705509.db2.gz CFLFTJCVIBUYOA-MRXNPFEDSA-N 1 3 355.442 0.845 20 0 FCADHO Cc1cc(C)n(-c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cn2)n1 ZINC001247851014 1259706508 /nfs/dbraw/zinc/70/65/08/1259706508.db2.gz LTLFSLGQMBIXTR-UHFFFAOYSA-N 1 3 351.414 0.995 20 0 FCADHO Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3COCCN3)CC2)cc1 ZINC001331755514 1266279630 /nfs/dbraw/zinc/27/96/30/1266279630.db2.gz YYOSXBLXKLKVOV-GOSISDBHSA-N 1 3 374.485 0.134 20 0 FCADHO Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3COCCN3)CC2)cc1 ZINC001331755514 1266279637 /nfs/dbraw/zinc/27/96/37/1266279637.db2.gz YYOSXBLXKLKVOV-GOSISDBHSA-N 1 3 374.485 0.134 20 0 FCADHO CN1CC[C@H](N(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426357 1259911753 /nfs/dbraw/zinc/91/17/53/1259911753.db2.gz COMBLCDGRLAJNL-ZVZYQTTQSA-N 1 3 365.453 0.521 20 0 FCADHO COC1CCN(CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001336174009 1260025296 /nfs/dbraw/zinc/02/52/96/1260025296.db2.gz CACGONSXJGPAFP-OAHLLOKOSA-N 1 3 354.495 0.555 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)CC2)CC1 ZINC001336316428 1260080248 /nfs/dbraw/zinc/08/02/48/1260080248.db2.gz PQRKDRMISAZIKI-ZDUSSCGKSA-N 1 3 362.478 0.221 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@H](C)C1 ZINC001336943575 1260262390 /nfs/dbraw/zinc/26/23/90/1260262390.db2.gz YCYKIWVTFXPBML-SJORKVTESA-N 1 3 355.527 0.158 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024552 1260288092 /nfs/dbraw/zinc/28/80/92/1260288092.db2.gz UFRLTRMTSLRWTC-OLZOCXBDSA-N 1 3 351.417 0.606 20 0 FCADHO CC[NH+](CC)CCC(=O)N1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272643219 1260471411 /nfs/dbraw/zinc/47/14/11/1260471411.db2.gz YRYIWYBSPSDODC-LJQANCHMSA-N 1 3 368.522 0.357 20 0 FCADHO C[NH+](C)CCN1CCN(Cc2ccncc2O)C[C@]2(CCCC(=O)N2)C1 ZINC001278463707 1260694909 /nfs/dbraw/zinc/69/49/09/1260694909.db2.gz LTGKJRQPHWZVDU-IBGZPJMESA-N 1 3 361.490 0.505 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C2=NO[C@@H]3CN(CC4CCC4)C[C@H]23)cn1 ZINC001279897174 1260955309 /nfs/dbraw/zinc/95/53/09/1260955309.db2.gz ADYOZWOJMREEFP-JKSUJKDBSA-N 1 3 360.462 0.870 20 0 FCADHO CN(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218405 1261037940 /nfs/dbraw/zinc/03/79/40/1261037940.db2.gz IALQQHYLZIIWLJ-IBGZPJMESA-N 1 3 361.490 0.510 20 0 FCADHO CN(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001280218405 1261037943 /nfs/dbraw/zinc/03/79/43/1261037943.db2.gz IALQQHYLZIIWLJ-IBGZPJMESA-N 1 3 361.490 0.510 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)[NH+](C)C ZINC001289192268 1262146818 /nfs/dbraw/zinc/14/68/18/1262146818.db2.gz QPAYZBQXPKIJCO-INMHGKMJSA-N 1 3 370.538 0.238 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001289535703 1262242010 /nfs/dbraw/zinc/24/20/10/1262242010.db2.gz JJIGLSFZSAESQZ-HUUCEWRRSA-N 1 3 366.506 0.155 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318662297 1263597311 /nfs/dbraw/zinc/59/73/11/1263597311.db2.gz RYAHRUNMUISPBR-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318662297 1263597318 /nfs/dbraw/zinc/59/73/18/1263597318.db2.gz RYAHRUNMUISPBR-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506099985 1264292747 /nfs/dbraw/zinc/29/27/47/1264292747.db2.gz BJIBFGNRJNZZHS-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506099985 1264292753 /nfs/dbraw/zinc/29/27/53/1264292753.db2.gz BJIBFGNRJNZZHS-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1(C)C ZINC001322959946 1264302339 /nfs/dbraw/zinc/30/23/39/1264302339.db2.gz XOSVANBMYBJHSX-CVEARBPZSA-N 1 3 367.538 0.118 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC001325087845 1264771538 /nfs/dbraw/zinc/77/15/38/1264771538.db2.gz ZHAJLSOZJIJRFT-FXAWDEMLSA-N 1 3 360.502 0.785 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580406510 1278241355 /nfs/dbraw/zinc/24/13/55/1278241355.db2.gz MWXVFPJEZUGHKK-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580406510 1278241367 /nfs/dbraw/zinc/24/13/67/1278241367.db2.gz MWXVFPJEZUGHKK-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580406510 1278241380 /nfs/dbraw/zinc/24/13/80/1278241380.db2.gz MWXVFPJEZUGHKK-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580406510 1278241389 /nfs/dbraw/zinc/24/13/89/1278241389.db2.gz MWXVFPJEZUGHKK-UKRRQHHQSA-N 1 3 357.462 0.803 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)c3cccn3C3CC[NH2+]CC3)C2)nn1 ZINC001326597942 1265139045 /nfs/dbraw/zinc/13/90/45/1265139045.db2.gz IYFKUGANUBRIEE-MRXNPFEDSA-N 1 3 357.462 0.940 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001514130245 1265325934 /nfs/dbraw/zinc/32/59/34/1265325934.db2.gz GTXADERYORSTDA-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001333586369 1266640993 /nfs/dbraw/zinc/64/09/93/1266640993.db2.gz DYSMARRJLUNYPS-UHFFFAOYSA-N 1 3 365.522 0.988 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001334313101 1266942186 /nfs/dbraw/zinc/94/21/86/1266942186.db2.gz FLXLWQUOLLQLSL-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001334313101 1266942193 /nfs/dbraw/zinc/94/21/93/1266942193.db2.gz FLXLWQUOLLQLSL-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]([NH3+])[C@H](n4ccnn4)C3)C2)cc1 ZINC001549756514 1267990211 /nfs/dbraw/zinc/99/02/11/1267990211.db2.gz SZYAJTMONUYUAI-RCCFBDPRSA-N 1 3 369.473 0.755 20 0 FCADHO CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486175 1268127677 /nfs/dbraw/zinc/12/76/77/1268127677.db2.gz KENYMCKZBHEERW-PRNMCOSDSA-N 1 3 365.518 0.836 20 0 FCADHO CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550486175 1268127679 /nfs/dbraw/zinc/12/76/79/1268127679.db2.gz KENYMCKZBHEERW-PRNMCOSDSA-N 1 3 365.518 0.836 20 0 FCADHO Cn1cc(-c2cc(CN[C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)on2)cn1 ZINC001550913971 1268184522 /nfs/dbraw/zinc/18/45/22/1268184522.db2.gz QZCZXIIOXHEUOZ-MAUKXSAKSA-N 1 3 358.446 0.812 20 0 FCADHO CO[C@@H]1C[C@@H](C[NH+](C)C)N(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001550980905 1268189437 /nfs/dbraw/zinc/18/94/37/1268189437.db2.gz SDHQEFZAPHMYSC-IXDOHACOSA-N 1 3 354.495 0.600 20 0 FCADHO C[NH+](C)C[C@H]1CN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551284739 1268223230 /nfs/dbraw/zinc/22/32/30/1268223230.db2.gz DOOVGGQATMIUFE-HFCFLWKCSA-N 1 3 368.522 0.992 20 0 FCADHO CN1[C@H]2CN(C(=O)NC3CC(C[NH3+])(c4ccccc4)C3)C[C@@H]2C[C@H]1CO ZINC001551477853 1268258832 /nfs/dbraw/zinc/25/88/32/1268258832.db2.gz HZVCDPGCXJXPPA-XOABRYBJSA-N 1 3 358.486 0.752 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC001551495413 1268262519 /nfs/dbraw/zinc/26/25/19/1268262519.db2.gz CUEXBCUYXOSBKF-UPTPFMHGSA-N 1 3 354.495 0.779 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552250984 1268421341 /nfs/dbraw/zinc/42/13/41/1268421341.db2.gz FCXMHSYSEOOICO-KBAYOESNSA-N 1 3 358.486 0.910 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552250984 1268421344 /nfs/dbraw/zinc/42/13/44/1268421344.db2.gz FCXMHSYSEOOICO-KBAYOESNSA-N 1 3 358.486 0.910 20 0 FCADHO [NH3+]C[C@@H](O)CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001340111647 1268438496 /nfs/dbraw/zinc/43/84/96/1268438496.db2.gz GPPIFVFVOKUGPN-IRXDYDNUSA-N 1 3 361.490 0.152 20 0 FCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(CN)nn4)C3)C[C@@H]2C1 ZINC001552337669 1268444896 /nfs/dbraw/zinc/44/48/96/1268444896.db2.gz GEJPVIJHAXPXTB-IVSAIRAKSA-N 1 3 361.494 0.814 20 0 FCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(CN)nn4)C3)C[C@@H]2C1 ZINC001552337669 1268444902 /nfs/dbraw/zinc/44/49/02/1268444902.db2.gz GEJPVIJHAXPXTB-IVSAIRAKSA-N 1 3 361.494 0.814 20 0 FCADHO Cc1c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552434310 1268462208 /nfs/dbraw/zinc/46/22/08/1268462208.db2.gz IREWHUJSJPDYFA-JKSUJKDBSA-N 1 3 362.478 0.494 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)C2)CC1 ZINC001552436110 1268462993 /nfs/dbraw/zinc/46/29/93/1268462993.db2.gz ZZERCMUXBGQWRC-HOTGVXAUSA-N 1 3 360.506 0.727 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2[C@@H]3CCCC[NH2+][C@H]23)CC1 ZINC001553555312 1268669299 /nfs/dbraw/zinc/66/92/99/1268669299.db2.gz JJJVADAVSMOGLM-OWCLPIDISA-N 1 3 363.506 0.642 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001341192082 1268848347 /nfs/dbraw/zinc/84/83/47/1268848347.db2.gz KCXZBTMDIWJVFN-DOTOQJQBSA-N 1 3 359.474 0.888 20 0 FCADHO CN(CCN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC001341697500 1269156926 /nfs/dbraw/zinc/15/69/26/1269156926.db2.gz RPDQHNBJFSVQHS-NRFANRHFSA-N 1 3 374.529 0.767 20 0 FCADHO COc1cccc2c1CC[C@]2(N)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001341732108 1269174941 /nfs/dbraw/zinc/17/49/41/1269174941.db2.gz IDJQNFOPTALPEZ-HXUWFJFHSA-N 1 3 360.502 0.939 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCNC3=O)CC2)CC1 ZINC001563842724 1269399589 /nfs/dbraw/zinc/39/95/89/1269399589.db2.gz JADNAMOLVJTHPN-AWEZNQCLSA-N 1 3 351.495 0.370 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2cc[nH]c21 ZINC001343400150 1269895574 /nfs/dbraw/zinc/89/55/74/1269895574.db2.gz KITCYLCBIKAKSA-UHFFFAOYSA-N 1 3 359.474 0.736 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OC ZINC001572961903 1270416006 /nfs/dbraw/zinc/41/60/06/1270416006.db2.gz FRRWLQWFDRLQKA-IAGOWNOFSA-N 1 3 368.522 0.402 20 0 FCADHO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580617776 1278571652 /nfs/dbraw/zinc/57/16/52/1278571652.db2.gz KAFHGYPWZQLEAD-OAGGEKHMSA-N 1 3 353.463 0.877 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574854635 1271608420 /nfs/dbraw/zinc/60/84/20/1271608420.db2.gz RPQGNFJLWLPQJD-CQSZACIVSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574854635 1271608430 /nfs/dbraw/zinc/60/84/30/1271608430.db2.gz RPQGNFJLWLPQJD-CQSZACIVSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874825 1271629375 /nfs/dbraw/zinc/62/93/75/1271629375.db2.gz DVHZWCKLRIWVCF-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874825 1271629381 /nfs/dbraw/zinc/62/93/81/1271629381.db2.gz DVHZWCKLRIWVCF-WCQYABFASA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575403515 1272053793 /nfs/dbraw/zinc/05/37/93/1272053793.db2.gz WTGSZZZDWNNNSP-UONOGXRCSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575403515 1272053803 /nfs/dbraw/zinc/05/38/03/1272053803.db2.gz WTGSZZZDWNNNSP-UONOGXRCSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566661 1272202163 /nfs/dbraw/zinc/20/21/63/1272202163.db2.gz LEVLMSKUBYQHLT-HZPDHXFCSA-N 1 3 364.494 0.144 20 0 FCADHO CC(C)C[C@H](NC(=O)NCc1cc(N)ccn1)C(=O)NCC[NH+](C)C ZINC001575645494 1272251826 /nfs/dbraw/zinc/25/18/26/1272251826.db2.gz CXSAMQNRTZGOHO-HNNXBMFYSA-N 1 3 350.467 0.556 20 0 FCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576247346 1273026556 /nfs/dbraw/zinc/02/65/56/1273026556.db2.gz OJJROHAVZBHDJQ-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576247346 1273026570 /nfs/dbraw/zinc/02/65/70/1273026570.db2.gz OJJROHAVZBHDJQ-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO CC1CCN(CCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CS(=O)(=O)C3)CC1 ZINC001576729745 1273598517 /nfs/dbraw/zinc/59/85/17/1273598517.db2.gz XKLLSLRETKUIQR-NVXWUHKLSA-N 1 3 357.520 0.249 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(CNCc3cn[nH]n3)CCOCC2)C1 ZINC001576748218 1273619723 /nfs/dbraw/zinc/61/97/23/1273619723.db2.gz VGTYTVFBTKKFPU-HOCLYGCPSA-N 1 3 364.494 0.680 20 0 FCADHO C[C@@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828554 1273754509 /nfs/dbraw/zinc/75/45/09/1273754509.db2.gz IHNKCSFPNPHLDR-ZBFHGGJFSA-N 1 3 361.538 0.965 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902199 1273906644 /nfs/dbraw/zinc/90/66/44/1273906644.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 1 3 364.494 0.165 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902199 1273906649 /nfs/dbraw/zinc/90/66/49/1273906649.db2.gz CCNUUXNAIWXHNQ-SJLPKXTDSA-N 1 3 364.494 0.165 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902875 1273908713 /nfs/dbraw/zinc/90/87/13/1273908713.db2.gz GHEAOACJRZJPSZ-HOTGVXAUSA-N 1 3 362.478 0.181 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902875 1273908722 /nfs/dbraw/zinc/90/87/22/1273908722.db2.gz GHEAOACJRZJPSZ-HOTGVXAUSA-N 1 3 362.478 0.181 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668844 1274693967 /nfs/dbraw/zinc/69/39/67/1274693967.db2.gz NPNMXXUHPWWOFY-CZUORRHYSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668844 1274693974 /nfs/dbraw/zinc/69/39/74/1274693974.db2.gz NPNMXXUHPWWOFY-CZUORRHYSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673908 1274708831 /nfs/dbraw/zinc/70/88/31/1274708831.db2.gz ZXVDOKPVFCTJJO-CZUORRHYSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673908 1274708835 /nfs/dbraw/zinc/70/88/35/1274708835.db2.gz ZXVDOKPVFCTJJO-CZUORRHYSA-N 1 3 372.477 0.783 20 0 FCADHO CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001578134945 1275433780 /nfs/dbraw/zinc/43/37/80/1275433780.db2.gz HJWLOZWAWCJTFO-HNNXBMFYSA-N 1 3 365.526 0.378 20 0 FCADHO CCc1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001578311159 1275649711 /nfs/dbraw/zinc/64/97/11/1275649711.db2.gz DGGQZOVISHQYNZ-DLBZAZTESA-N 1 3 363.554 0.899 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)n1 ZINC001578418783 1275787460 /nfs/dbraw/zinc/78/74/60/1275787460.db2.gz HWGSQMHANVUTFK-CQSZACIVSA-N 1 3 356.430 0.909 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001578525016 1275958248 /nfs/dbraw/zinc/95/82/48/1275958248.db2.gz MJXOMTIEPDDZJG-DLBZAZTESA-N 1 3 352.523 0.900 20 0 FCADHO CN(C(=O)CC1(N)COC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001578525016 1275958251 /nfs/dbraw/zinc/95/82/51/1275958251.db2.gz MJXOMTIEPDDZJG-DLBZAZTESA-N 1 3 352.523 0.900 20 0 FCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529713 1275961649 /nfs/dbraw/zinc/96/16/49/1275961649.db2.gz YLQVBRYLCSUBQA-RRFJBIMHSA-N 1 3 350.463 0.550 20 0 FCADHO C[NH2+][C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(CC2CC2)CC1 ZINC001578577693 1276011524 /nfs/dbraw/zinc/01/15/24/1276011524.db2.gz YVVSYMAZIHAILA-CQSZACIVSA-N 1 3 356.478 0.875 20 0 FCADHO COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NCCN1CCC(C)CC1)C2 ZINC001578843462 1276363454 /nfs/dbraw/zinc/36/34/54/1276363454.db2.gz UZWXFTUORQVJOE-RVKKMQEKSA-N 1 3 352.479 0.640 20 0 FCADHO C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001578973954 1276520903 /nfs/dbraw/zinc/52/09/03/1276520903.db2.gz DJKAVLWIAIWBEA-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001578973954 1276520905 /nfs/dbraw/zinc/52/09/05/1276520905.db2.gz DJKAVLWIAIWBEA-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578980572 1276540123 /nfs/dbraw/zinc/54/01/23/1276540123.db2.gz LNIUVINGEMCPLB-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578980572 1276540130 /nfs/dbraw/zinc/54/01/30/1276540130.db2.gz LNIUVINGEMCPLB-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578980572 1276540139 /nfs/dbraw/zinc/54/01/39/1276540139.db2.gz LNIUVINGEMCPLB-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578980572 1276540145 /nfs/dbraw/zinc/54/01/45/1276540145.db2.gz LNIUVINGEMCPLB-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001578990759 1276563920 /nfs/dbraw/zinc/56/39/20/1276563920.db2.gz ITCYKFQIYRYAKB-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001578990759 1276563922 /nfs/dbraw/zinc/56/39/22/1276563922.db2.gz ITCYKFQIYRYAKB-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325161 1277142613 /nfs/dbraw/zinc/14/26/13/1277142613.db2.gz AZPFCQAVPGZKEK-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579325161 1277142615 /nfs/dbraw/zinc/14/26/15/1277142615.db2.gz AZPFCQAVPGZKEK-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325161 1277142616 /nfs/dbraw/zinc/14/26/16/1277142616.db2.gz AZPFCQAVPGZKEK-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579325161 1277142619 /nfs/dbraw/zinc/14/26/19/1277142619.db2.gz AZPFCQAVPGZKEK-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325465 1277146165 /nfs/dbraw/zinc/14/61/65/1277146165.db2.gz CWQBBQUNPWPODO-KGLIPLIRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325465 1277146171 /nfs/dbraw/zinc/14/61/71/1277146171.db2.gz CWQBBQUNPWPODO-KGLIPLIRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325465 1277146191 /nfs/dbraw/zinc/14/61/91/1277146191.db2.gz CWQBBQUNPWPODO-KGLIPLIRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325465 1277146211 /nfs/dbraw/zinc/14/62/11/1277146211.db2.gz CWQBBQUNPWPODO-KGLIPLIRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326967 1277153301 /nfs/dbraw/zinc/15/33/01/1277153301.db2.gz NJHOPNUITNHSMT-GDBMZVCRSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326967 1277153304 /nfs/dbraw/zinc/15/33/04/1277153304.db2.gz NJHOPNUITNHSMT-GDBMZVCRSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326967 1277153307 /nfs/dbraw/zinc/15/33/07/1277153307.db2.gz NJHOPNUITNHSMT-GDBMZVCRSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326967 1277153308 /nfs/dbraw/zinc/15/33/08/1277153308.db2.gz NJHOPNUITNHSMT-GDBMZVCRSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333736 1277168844 /nfs/dbraw/zinc/16/88/44/1277168844.db2.gz SNJAXOHZDYTLDV-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333736 1277168845 /nfs/dbraw/zinc/16/88/45/1277168845.db2.gz SNJAXOHZDYTLDV-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333736 1277168847 /nfs/dbraw/zinc/16/88/47/1277168847.db2.gz SNJAXOHZDYTLDV-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333736 1277168848 /nfs/dbraw/zinc/16/88/48/1277168848.db2.gz SNJAXOHZDYTLDV-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338223 1277181060 /nfs/dbraw/zinc/18/10/60/1277181060.db2.gz JVAPRRDCQJKDQX-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338223 1277181063 /nfs/dbraw/zinc/18/10/63/1277181063.db2.gz JVAPRRDCQJKDQX-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338223 1277181067 /nfs/dbraw/zinc/18/10/67/1277181067.db2.gz JVAPRRDCQJKDQX-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338223 1277181069 /nfs/dbraw/zinc/18/10/69/1277181069.db2.gz JVAPRRDCQJKDQX-BPUTZDHNSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579348195 1277203133 /nfs/dbraw/zinc/20/31/33/1277203133.db2.gz WHZZSFWMKFEUJB-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579348195 1277203135 /nfs/dbraw/zinc/20/31/35/1277203135.db2.gz WHZZSFWMKFEUJB-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579348195 1277203140 /nfs/dbraw/zinc/20/31/40/1277203140.db2.gz WHZZSFWMKFEUJB-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579348195 1277203144 /nfs/dbraw/zinc/20/31/44/1277203144.db2.gz WHZZSFWMKFEUJB-BHYGNILZSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001579475684 1277382258 /nfs/dbraw/zinc/38/22/58/1277382258.db2.gz MJAWGYZSZZFMGB-GDBMZVCRSA-N 1 3 359.474 0.379 20 0 FCADHO Cc1c(C[C@H](CN)C[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cnn1C ZINC001579529471 1277492149 /nfs/dbraw/zinc/49/21/49/1277492149.db2.gz IQYQEMSYPRYVND-CYBMUJFWSA-N 1 3 350.467 0.156 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580272697 1278066474 /nfs/dbraw/zinc/06/64/74/1278066474.db2.gz KKSWACWNGNCCEK-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO Cc1cc(NC[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581009999 1279235893 /nfs/dbraw/zinc/23/58/93/1279235893.db2.gz BHIUIRFLTIZKLK-WBMJQRKESA-N 1 3 374.493 0.742 20 0 FCADHO Cc1cc(NCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026505 1279259151 /nfs/dbraw/zinc/25/91/51/1279259151.db2.gz LVXHFGYIMBDLNL-QWHCGFSZSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(NCC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026505 1279259154 /nfs/dbraw/zinc/25/91/54/1279259154.db2.gz LVXHFGYIMBDLNL-QWHCGFSZSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030102 1279266730 /nfs/dbraw/zinc/26/67/30/1279266730.db2.gz LDHHXAPNDYEEML-CJNGLKHVSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030102 1279266735 /nfs/dbraw/zinc/26/67/35/1279266735.db2.gz LDHHXAPNDYEEML-CJNGLKHVSA-N 1 3 372.477 0.781 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001682287310 1283556149 /nfs/dbraw/zinc/55/61/49/1283556149.db2.gz ZEFILOMHRPFULD-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001719069135 1287652224 /nfs/dbraw/zinc/65/22/24/1287652224.db2.gz DHICGDNCCJHWNY-ARFHVFGLSA-N 1 3 350.507 0.728 20 0 FCADHO C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001591176957 1284273730 /nfs/dbraw/zinc/27/37/30/1284273730.db2.gz OIVCOCGIJJVZNO-HNNXBMFYSA-N 1 3 360.462 0.928 20 0 FCADHO C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001591176957 1284273737 /nfs/dbraw/zinc/27/37/37/1284273737.db2.gz OIVCOCGIJJVZNO-HNNXBMFYSA-N 1 3 360.462 0.928 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCC1 ZINC001702424824 1285669353 /nfs/dbraw/zinc/66/93/53/1285669353.db2.gz FNHWCKLASLRGEC-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037392 1285921808 /nfs/dbraw/zinc/92/18/08/1285921808.db2.gz DIQCOOXLQZKURD-YOEHRIQHSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037392 1285921814 /nfs/dbraw/zinc/92/18/14/1285921814.db2.gz DIQCOOXLQZKURD-YOEHRIQHSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037392 1285921821 /nfs/dbraw/zinc/92/18/21/1285921821.db2.gz DIQCOOXLQZKURD-YOEHRIQHSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037392 1285921827 /nfs/dbraw/zinc/92/18/27/1285921827.db2.gz DIQCOOXLQZKURD-YOEHRIQHSA-N 1 3 369.473 0.947 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001735885835 1288990458 /nfs/dbraw/zinc/99/04/58/1288990458.db2.gz DNRLZXKWSBYDOY-HZPDHXFCSA-N 1 3 366.506 0.299 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001692027675 1289370281 /nfs/dbraw/zinc/37/02/81/1289370281.db2.gz IKPFSSNHPGWWDP-BZUAXINKSA-N 1 3 354.495 0.058 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](OCC)C1 ZINC001692031405 1289372205 /nfs/dbraw/zinc/37/22/05/1289372205.db2.gz AYHGELSPVMVGEF-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCS(=O)(=O)CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001692087516 1289396352 /nfs/dbraw/zinc/39/63/52/1289396352.db2.gz GKGURSICEDRXOC-ZBFHGGJFSA-N 1 3 370.519 0.994 20 0 FCADHO Cc1cc(NC(=O)CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001699102099 1289546679 /nfs/dbraw/zinc/54/66/79/1289546679.db2.gz HHVJGANSXABLHS-IACUBPJLSA-N 1 3 351.451 0.746 20 0 FCADHO Cc1cc(NC(=O)CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001699102099 1289546685 /nfs/dbraw/zinc/54/66/85/1289546685.db2.gz HHVJGANSXABLHS-IACUBPJLSA-N 1 3 351.451 0.746 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001614032853 1289734067 /nfs/dbraw/zinc/73/40/67/1289734067.db2.gz RLCGRYADLIEGPZ-GOSISDBHSA-N 1 3 350.511 0.685 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001614032853 1289734074 /nfs/dbraw/zinc/73/40/74/1289734074.db2.gz RLCGRYADLIEGPZ-GOSISDBHSA-N 1 3 350.511 0.685 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001702207751 1289870486 /nfs/dbraw/zinc/87/04/86/1289870486.db2.gz HKRYWVIQLKUMHT-IAGOWNOFSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)c1nccs1 ZINC001753006697 1290618560 /nfs/dbraw/zinc/61/85/60/1290618560.db2.gz QGRGQIGTDKJPER-MGPQQGTHSA-N 1 3 367.519 0.931 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)c1nccs1 ZINC001753006697 1290618569 /nfs/dbraw/zinc/61/85/69/1290618569.db2.gz QGRGQIGTDKJPER-MGPQQGTHSA-N 1 3 367.519 0.931 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001756999733 1290683671 /nfs/dbraw/zinc/68/36/71/1290683671.db2.gz CEYNKVKTPYLFKY-HZPDHXFCSA-N 1 3 368.522 0.281 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]32)C1 ZINC001757248007 1290750441 /nfs/dbraw/zinc/75/04/41/1290750441.db2.gz ZHEJBFNJSDEGET-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001691659500 1294907256 /nfs/dbraw/zinc/90/72/56/1294907256.db2.gz LNOHVDHJLFDPTG-RRFJBIMHSA-N 1 3 352.479 0.350 20 0 FCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739091 720632906 /nfs/dbraw/zinc/63/29/06/720632906.db2.gz DYHDSTZJTBWROL-HOTGVXAUSA-N 1 3 352.442 0.859 20 0 FCADHO c1ncc(O[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164742298 720641889 /nfs/dbraw/zinc/64/18/89/720641889.db2.gz MOVQJLKBECFHLX-HUUCEWRRSA-N 1 3 353.430 0.254 20 0 FCADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883616 721400057 /nfs/dbraw/zinc/40/00/57/721400057.db2.gz BGAJPIIEHGNGMQ-IEBWSBKVSA-N 1 3 360.506 0.701 20 0 FCADHO CN1CCN(c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1 ZINC001164965224 722067746 /nfs/dbraw/zinc/06/77/46/722067746.db2.gz GIHSBYPLOIKCJD-CALCHBBNSA-N 1 3 358.490 0.528 20 0 FCADHO CN1CCN(c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1 ZINC001164965224 722067748 /nfs/dbraw/zinc/06/77/48/722067748.db2.gz GIHSBYPLOIKCJD-CALCHBBNSA-N 1 3 358.490 0.528 20 0 FCADHO C[C@@H](O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001099327533 844025946 /nfs/dbraw/zinc/02/59/46/844025946.db2.gz BKUZTJTURBDIKY-MRVWCRGKSA-N 1 3 367.412 0.457 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101400307 844174609 /nfs/dbraw/zinc/17/46/09/844174609.db2.gz QHJFWTVMRNXWIU-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101400307 844174613 /nfs/dbraw/zinc/17/46/13/844174613.db2.gz QHJFWTVMRNXWIU-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400314 844175443 /nfs/dbraw/zinc/17/54/43/844175443.db2.gz QKYSQPMPJPWGHD-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101400314 844175449 /nfs/dbraw/zinc/17/54/49/844175449.db2.gz QKYSQPMPJPWGHD-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621312 836701848 /nfs/dbraw/zinc/70/18/48/836701848.db2.gz SMAKQDLRWNURSO-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621312 836701855 /nfs/dbraw/zinc/70/18/55/836701855.db2.gz SMAKQDLRWNURSO-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045017 844394929 /nfs/dbraw/zinc/39/49/29/844394929.db2.gz NWZKLASYWNBWBU-RBSFLKMASA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045017 844394936 /nfs/dbraw/zinc/39/49/36/844394936.db2.gz NWZKLASYWNBWBU-RBSFLKMASA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1C)[NH+](C)C ZINC001102070509 844403222 /nfs/dbraw/zinc/40/32/22/844403222.db2.gz KMPFPTGRXQWCKY-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102088505 844409096 /nfs/dbraw/zinc/40/90/96/844409096.db2.gz YOYBJJKTRQOVFH-RBSFLKMASA-N 1 3 352.479 0.160 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102088505 844409098 /nfs/dbraw/zinc/40/90/98/844409098.db2.gz YOYBJJKTRQOVFH-RBSFLKMASA-N 1 3 352.479 0.160 20 0 FCADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978805 839266283 /nfs/dbraw/zinc/26/62/83/839266283.db2.gz OZIPQXZNBOUONV-KBAYOESNSA-N 1 3 351.491 0.306 20 0 FCADHO CC[C@@H](C(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21)N(C)C ZINC001079260956 839502147 /nfs/dbraw/zinc/50/21/47/839502147.db2.gz XTEZZIGLMZGTPX-YESZJQIVSA-N 1 3 353.507 0.648 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783518 839798913 /nfs/dbraw/zinc/79/89/13/839798913.db2.gz UWMKUCRAAGQYNK-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783518 839798916 /nfs/dbraw/zinc/79/89/16/839798916.db2.gz UWMKUCRAAGQYNK-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375520 844480024 /nfs/dbraw/zinc/48/00/24/844480024.db2.gz OBHXZFIXQSZYRG-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375520 844480027 /nfs/dbraw/zinc/48/00/27/844480027.db2.gz OBHXZFIXQSZYRG-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C)N(C)C ZINC001102380247 844480183 /nfs/dbraw/zinc/48/01/83/844480183.db2.gz ATUNWLXEPVVLMS-OAGGEKHMSA-N 1 3 355.527 0.718 20 0 FCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C)N(C)C ZINC001102380247 844480187 /nfs/dbraw/zinc/48/01/87/844480187.db2.gz ATUNWLXEPVVLMS-OAGGEKHMSA-N 1 3 355.527 0.718 20 0 FCADHO CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001081893991 840089624 /nfs/dbraw/zinc/08/96/24/840089624.db2.gz HUDQXUJAMHDETJ-IAGOWNOFSA-N 1 3 351.491 0.857 20 0 FCADHO CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001081893991 840089630 /nfs/dbraw/zinc/08/96/30/840089630.db2.gz HUDQXUJAMHDETJ-IAGOWNOFSA-N 1 3 351.491 0.857 20 0 FCADHO CO[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328345 840312610 /nfs/dbraw/zinc/31/26/10/840312610.db2.gz PAVIFADQTVADIL-GVDBMIGSSA-N 1 3 351.491 0.857 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514396 844546549 /nfs/dbraw/zinc/54/65/49/844546549.db2.gz WBCWPSZCZYTKCS-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514396 844546553 /nfs/dbraw/zinc/54/65/53/844546553.db2.gz WBCWPSZCZYTKCS-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001082742413 840542890 /nfs/dbraw/zinc/54/28/90/840542890.db2.gz DUDFCJMQIMDUKZ-BFYDXBDKSA-N 1 3 371.547 0.590 20 0 FCADHO Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001082742661 840543451 /nfs/dbraw/zinc/54/34/51/840543451.db2.gz NZUBRVLAYZMSGH-IIAWOOMASA-N 1 3 366.531 0.997 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102525025 844553783 /nfs/dbraw/zinc/55/37/83/844553783.db2.gz IMLGMFGCOKEGAN-RHSMWYFYSA-N 1 3 350.511 0.921 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102525025 844553786 /nfs/dbraw/zinc/55/37/86/844553786.db2.gz IMLGMFGCOKEGAN-RHSMWYFYSA-N 1 3 350.511 0.921 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)CC1 ZINC001083236342 840821469 /nfs/dbraw/zinc/82/14/69/840821469.db2.gz WYMVJAXGNUDQKX-ZWKOTPCHSA-N 1 3 351.491 0.809 20 0 FCADHO C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596474 844586914 /nfs/dbraw/zinc/58/69/14/844586914.db2.gz HQWPEESEURWDFH-BRWVUGGUSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001083523348 841121491 /nfs/dbraw/zinc/12/14/91/841121491.db2.gz ZPRXWSIMNPIUAZ-SQNIBIBYSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001083523348 841121496 /nfs/dbraw/zinc/12/14/96/841121496.db2.gz ZPRXWSIMNPIUAZ-SQNIBIBYSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563429 841173391 /nfs/dbraw/zinc/17/33/91/841173391.db2.gz PIOFKTXBYWQMPH-ZACQAIPSSA-N 1 3 351.491 0.593 20 0 FCADHO CN(C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1(C)CCOCC1)C2 ZINC001275826132 861213396 /nfs/dbraw/zinc/21/33/96/861213396.db2.gz PGBVPMBNVBLTSG-LJQANCHMSA-N 1 3 353.507 0.916 20 0 FCADHO CN(C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC1(C)CCOCC1)C2 ZINC001275826132 861213382 /nfs/dbraw/zinc/21/33/82/861213382.db2.gz PGBVPMBNVBLTSG-LJQANCHMSA-N 1 3 353.507 0.916 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954313 841600923 /nfs/dbraw/zinc/60/09/23/841600923.db2.gz UJBIGFYYBCINGF-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954313 841600929 /nfs/dbraw/zinc/60/09/29/841600929.db2.gz UJBIGFYYBCINGF-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO CC[NH+]1CCC(CN2CC[C@]3(C2)CN([C@@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877984 861241632 /nfs/dbraw/zinc/24/16/32/861241632.db2.gz GEMDJTVFZLFJKE-KXBFYZLASA-N 1 3 351.491 0.999 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1cnns1 ZINC001087059688 842255313 /nfs/dbraw/zinc/25/53/13/842255313.db2.gz QANPKFIIYNIIGJ-FVQBIDKESA-N 1 3 367.519 0.831 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087797120 842434226 /nfs/dbraw/zinc/43/42/26/842434226.db2.gz YWKSGZKZUUMRIR-HRCADAONSA-N 1 3 351.495 0.323 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCN1CCNC1=O ZINC001087797120 842434230 /nfs/dbraw/zinc/43/42/30/842434230.db2.gz YWKSGZKZUUMRIR-HRCADAONSA-N 1 3 351.495 0.323 20 0 FCADHO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3CN(C)C)C[C@]2(C)C1 ZINC001091713336 843079420 /nfs/dbraw/zinc/07/94/20/843079420.db2.gz UHUPGFMJFSCQPM-KDOFPFPSSA-N 1 3 364.515 0.950 20 0 FCADHO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3sccc3CN(C)C)C[C@]2(C)C1 ZINC001091713336 843079432 /nfs/dbraw/zinc/07/94/32/843079432.db2.gz UHUPGFMJFSCQPM-KDOFPFPSSA-N 1 3 364.515 0.950 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001276309633 861405718 /nfs/dbraw/zinc/40/57/18/861405718.db2.gz YYNILLVZKFQRHG-MJGOQNOKSA-N 1 3 350.507 0.731 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001276309633 861405722 /nfs/dbraw/zinc/40/57/22/861405722.db2.gz YYNILLVZKFQRHG-MJGOQNOKSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093770486 843467087 /nfs/dbraw/zinc/46/70/87/843467087.db2.gz SEOICAKWPQAKMF-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094131137 843519591 /nfs/dbraw/zinc/51/95/91/843519591.db2.gz POXFHWDENSKEAG-ZACQAIPSSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOCCO)CC[N@@H+]1C ZINC001099080174 843960754 /nfs/dbraw/zinc/96/07/54/843960754.db2.gz NJXBWJQKRDLESF-BRWVUGGUSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOCCO)CC[N@H+]1C ZINC001099080174 843960757 /nfs/dbraw/zinc/96/07/57/843960757.db2.gz NJXBWJQKRDLESF-BRWVUGGUSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085181 844697492 /nfs/dbraw/zinc/69/74/92/844697492.db2.gz JRJJBDWFFIFLLA-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085181 844697500 /nfs/dbraw/zinc/69/75/00/844697500.db2.gz JRJJBDWFFIFLLA-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436117 844756755 /nfs/dbraw/zinc/75/67/55/844756755.db2.gz LFOMPKCRCWNMRM-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436117 844756760 /nfs/dbraw/zinc/75/67/60/844756760.db2.gz LFOMPKCRCWNMRM-GVDBMIGSSA-N 1 3 350.507 0.635 20 0 FCADHO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436381 844757506 /nfs/dbraw/zinc/75/75/06/844757506.db2.gz VWPZVEWTUKWMLK-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436381 844757513 /nfs/dbraw/zinc/75/75/13/844757513.db2.gz VWPZVEWTUKWMLK-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438472 844758598 /nfs/dbraw/zinc/75/85/98/844758598.db2.gz KWLHZKYUBFVKLS-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438472 844758602 /nfs/dbraw/zinc/75/86/02/844758602.db2.gz KWLHZKYUBFVKLS-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438612 844758875 /nfs/dbraw/zinc/75/88/75/844758875.db2.gz SLSUEDXSBFHMEV-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438612 844758878 /nfs/dbraw/zinc/75/88/78/844758878.db2.gz SLSUEDXSBFHMEV-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104294380 844891512 /nfs/dbraw/zinc/89/15/12/844891512.db2.gz MNPCFZOXEJWVIV-HUUCEWRRSA-N 1 3 359.536 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104676349 844931522 /nfs/dbraw/zinc/93/15/22/844931522.db2.gz GJENVWUENHRWPI-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001104690465 844933660 /nfs/dbraw/zinc/93/36/60/844933660.db2.gz FIDOFJZAWFDURM-OIISXLGYSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001104691245 844933931 /nfs/dbraw/zinc/93/39/31/844933931.db2.gz MCOZRHHMUIFABQ-OIISXLGYSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001105067398 844977384 /nfs/dbraw/zinc/97/73/84/844977384.db2.gz YXSWWMNJJBWZCF-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105661874 845012777 /nfs/dbraw/zinc/01/27/77/845012777.db2.gz LMDOJOWKUNZSJB-FPAYPSAMSA-N 1 3 355.523 0.677 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106281834 845147057 /nfs/dbraw/zinc/14/70/57/845147057.db2.gz GNHKDJCCTGZEAN-OAGGEKHMSA-N 1 3 361.552 0.691 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106633346 845209750 /nfs/dbraw/zinc/20/97/50/845209750.db2.gz GNHKDJCCTGZEAN-BZUAXINKSA-N 1 3 361.552 0.691 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106664873 845218549 /nfs/dbraw/zinc/21/85/49/845218549.db2.gz BLLKFJCTNLFDPJ-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666477 845220500 /nfs/dbraw/zinc/22/05/00/845220500.db2.gz LZLHAJZAHAIGSP-LBTNJELSSA-N 1 3 356.486 0.629 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110981094 846007562 /nfs/dbraw/zinc/00/75/62/846007562.db2.gz IZVHKMNZHKYWND-RQJABVFESA-N 1 3 367.412 0.599 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217288 846065012 /nfs/dbraw/zinc/06/50/12/846065012.db2.gz PSEULOQOTFHLQP-XDNAFOTISA-N 1 3 353.507 0.836 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111910188 846257598 /nfs/dbraw/zinc/25/75/98/846257598.db2.gz SBCWWMZNYKCDEZ-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001111910188 846257606 /nfs/dbraw/zinc/25/76/06/846257606.db2.gz SBCWWMZNYKCDEZ-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO COC[C@H](O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159888 846426106 /nfs/dbraw/zinc/42/61/06/846426106.db2.gz GGKFOCQYVMJQKJ-AAVRWANBSA-N 1 3 369.428 0.559 20 0 FCADHO CCN(CC)C(=O)CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001276913472 861683636 /nfs/dbraw/zinc/68/36/36/861683636.db2.gz CSSOZMNZKYMUDO-SFHVURJKSA-N 1 3 352.479 0.258 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001112399345 846500999 /nfs/dbraw/zinc/50/09/99/846500999.db2.gz PAPTZERGUVGIRE-BQFCYCMXSA-N 1 3 371.547 0.590 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001112399346 846501312 /nfs/dbraw/zinc/50/13/12/846501312.db2.gz PAPTZERGUVGIRE-JZXOWHBKSA-N 1 3 371.547 0.590 20 0 FCADHO CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396857 846501361 /nfs/dbraw/zinc/50/13/61/846501361.db2.gz HLBLTLQKGFUHHJ-YJBOKZPZSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001112524523 846514220 /nfs/dbraw/zinc/51/42/20/846514220.db2.gz SVOXBDNUCIVQRG-WDYCEAGBSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112529710 846516569 /nfs/dbraw/zinc/51/65/69/846516569.db2.gz LQVMFDHYUWPILG-BQFCYCMXSA-N 1 3 371.547 0.734 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(O)CCOCC3)CC2)CC1 ZINC001116677058 846734824 /nfs/dbraw/zinc/73/48/24/846734824.db2.gz NQYZVBBWUZAZBH-UHFFFAOYSA-N 1 3 354.495 0.386 20 0 FCADHO N[C@@H](CC(F)F)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001118197563 847320673 /nfs/dbraw/zinc/32/06/73/847320673.db2.gz OMZBTFMBXMAYGA-AWEZNQCLSA-N 1 3 360.449 0.810 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330310 847384927 /nfs/dbraw/zinc/38/49/27/847384927.db2.gz KODPVFCAJWHYDR-FPXQBCRKSA-N 1 3 350.507 0.810 20 0 FCADHO Cc1nc(CNCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n[nH]1 ZINC001127571467 848727247 /nfs/dbraw/zinc/72/72/47/848727247.db2.gz SJVPCIPKMARZPH-ZBFHGGJFSA-N 1 3 350.467 0.066 20 0 FCADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccs1 ZINC001127643602 848730775 /nfs/dbraw/zinc/73/07/75/848730775.db2.gz CLKJGRUABOPOOZ-BFHYXJOUSA-N 1 3 352.504 0.971 20 0 FCADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccs1 ZINC001127643602 848730781 /nfs/dbraw/zinc/73/07/81/848730781.db2.gz CLKJGRUABOPOOZ-BFHYXJOUSA-N 1 3 352.504 0.971 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C ZINC001127695750 848732990 /nfs/dbraw/zinc/73/29/90/848732990.db2.gz WTVSEOCUWLEGQF-JKSUJKDBSA-N 1 3 350.507 0.727 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)CC[N@H+]1C ZINC001127695750 848732995 /nfs/dbraw/zinc/73/29/95/848732995.db2.gz WTVSEOCUWLEGQF-JKSUJKDBSA-N 1 3 350.507 0.727 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129228341 848820285 /nfs/dbraw/zinc/82/02/85/848820285.db2.gz OIIZPRJZKAUSEA-XHSDSOJGSA-N 1 3 350.467 0.140 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899943 848910809 /nfs/dbraw/zinc/91/08/09/848910809.db2.gz SUDPQOVYNLPQFV-OAGGEKHMSA-N 1 3 350.467 0.140 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899943 848910816 /nfs/dbraw/zinc/91/08/16/848910816.db2.gz SUDPQOVYNLPQFV-OAGGEKHMSA-N 1 3 350.467 0.140 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129985450 848926766 /nfs/dbraw/zinc/92/67/66/848926766.db2.gz XTUWSKUMAXOHOG-OLZOCXBDSA-N 1 3 362.400 0.914 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130107156 848945894 /nfs/dbraw/zinc/94/58/94/848945894.db2.gz GKVLRGZHIMOUHO-OAGGEKHMSA-N 1 3 352.483 0.386 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130107362 848945908 /nfs/dbraw/zinc/94/59/08/848945908.db2.gz MCHGFKNJPHFNPG-OLZOCXBDSA-N 1 3 362.400 0.914 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[n-]1 ZINC001130216002 848977922 /nfs/dbraw/zinc/97/79/22/848977922.db2.gz LZCWMKMCDJBBKE-STQMWFEESA-N 1 3 350.467 0.387 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCOC)C1)N(C)C ZINC001131015155 849071300 /nfs/dbraw/zinc/07/13/00/849071300.db2.gz PUCBIZWXYXQFEY-BZUAXINKSA-N 1 3 351.495 0.681 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131572685 849125572 /nfs/dbraw/zinc/12/55/72/849125572.db2.gz LKBWVLIXOAOFTL-XCRHUMRWSA-N 1 3 350.463 0.973 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551183 849270941 /nfs/dbraw/zinc/27/09/41/849270941.db2.gz BCDWYGINLIZJTK-BRSBDYLESA-N 1 3 352.523 0.316 20 0 FCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001142791715 849461517 /nfs/dbraw/zinc/46/15/17/849461517.db2.gz MGIDHFDOIIBTME-MAWRTODSSA-N 1 3 367.437 0.547 20 0 FCADHO CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153490815 849748993 /nfs/dbraw/zinc/74/89/93/849748993.db2.gz CDDKATCAFQONHF-RBSFLKMASA-N 1 3 352.479 0.302 20 0 FCADHO CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153490815 849749000 /nfs/dbraw/zinc/74/90/00/849749000.db2.gz CDDKATCAFQONHF-RBSFLKMASA-N 1 3 352.479 0.302 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001157336937 849964953 /nfs/dbraw/zinc/96/49/53/849964953.db2.gz QHKTYZFWKZWFBZ-YJBOKZPZSA-N 1 3 350.438 0.372 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2cc(C)no2)CC[N@@H+]1C ZINC001158337198 850037118 /nfs/dbraw/zinc/03/71/18/850037118.db2.gz IEUMGYZTNQECRG-UONOGXRCSA-N 1 3 351.451 0.748 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)Nc2cc(C)no2)CC[N@H+]1C ZINC001158337198 850037128 /nfs/dbraw/zinc/03/71/28/850037128.db2.gz IEUMGYZTNQECRG-UONOGXRCSA-N 1 3 351.451 0.748 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001158380224 850042657 /nfs/dbraw/zinc/04/26/57/850042657.db2.gz NDCCHKBPHWBNQO-CHWSQXEVSA-N 1 3 353.492 0.542 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001158380224 850042665 /nfs/dbraw/zinc/04/26/65/850042665.db2.gz NDCCHKBPHWBNQO-CHWSQXEVSA-N 1 3 353.492 0.542 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN(CC)CC)C2 ZINC001158384068 850043864 /nfs/dbraw/zinc/04/38/64/850043864.db2.gz QETXTEKCLQHRTM-HUUCEWRRSA-N 1 3 365.396 0.872 20 0 FCADHO CN1CCC(N(c2ccc(S(N)(=O)=O)cn2)C2CC[NH2+]CC2)CC1 ZINC001158580647 850061737 /nfs/dbraw/zinc/06/17/37/850061737.db2.gz IDGDPUSZPISMOE-UHFFFAOYSA-N 1 3 353.492 0.382 20 0 FCADHO [NH3+][C@@H](CC(F)F)C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667486 850127953 /nfs/dbraw/zinc/12/79/53/850127953.db2.gz UNWWJXBVSNKQNM-ZNMIVQPWSA-N 1 3 354.401 0.866 20 0 FCADHO [NH3+][C@@H](CC(F)F)C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667480 850128396 /nfs/dbraw/zinc/12/83/96/850128396.db2.gz UNWWJXBVSNKQNM-KFWWJZLASA-N 1 3 354.401 0.866 20 0 FCADHO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@H](N)CCC[NH3+])C2)O1 ZINC001160228074 850159224 /nfs/dbraw/zinc/15/92/24/850159224.db2.gz NTDBEXRGUDMAPL-HDMKZQKVSA-N 1 3 354.495 0.365 20 0 FCADHO CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@H](N)CCC[NH3+])n1 ZINC001160325431 850165914 /nfs/dbraw/zinc/16/59/14/850165914.db2.gz JPYPTENMDVRAFA-ZIAGYGMSSA-N 1 3 350.467 0.289 20 0 FCADHO CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001160484928 850175575 /nfs/dbraw/zinc/17/55/75/850175575.db2.gz KHIINMBLUPBZLJ-INIZCTEOSA-N 1 3 355.527 0.151 20 0 FCADHO N[C@H](C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)C1CC[NH2+]CC1 ZINC001160505447 850177788 /nfs/dbraw/zinc/17/77/88/850177788.db2.gz DVVSKSPITHERES-HNNXBMFYSA-N 1 3 353.854 0.827 20 0 FCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC(C)(N(C)C)C1 ZINC001160645144 850187591 /nfs/dbraw/zinc/18/75/91/850187591.db2.gz OQUZFYYJVJGBRM-IHRRRGAJSA-N 1 3 358.552 0.760 20 0 FCADHO CN1CCC(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2CCCC2)CC1 ZINC001161454341 850259314 /nfs/dbraw/zinc/25/93/14/850259314.db2.gz UUIOOUARHBAVKH-UHFFFAOYSA-N 1 3 360.524 0.072 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(CN)ncn1)C2 ZINC001165372611 850438316 /nfs/dbraw/zinc/43/83/16/850438316.db2.gz IQZCBIPMHMAJQZ-KBPBESRZSA-N 1 3 359.352 0.457 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001185254252 851346365 /nfs/dbraw/zinc/34/63/65/851346365.db2.gz ZQUOJUUWLJDREZ-XHSDSOJGSA-N 1 3 363.531 0.812 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001185254252 851346374 /nfs/dbraw/zinc/34/63/74/851346374.db2.gz ZQUOJUUWLJDREZ-XHSDSOJGSA-N 1 3 363.531 0.812 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)CC(C)(C)C ZINC001189159736 851759595 /nfs/dbraw/zinc/75/95/95/851759595.db2.gz IURSYKOFIUIFSX-ARFHVFGLSA-N 1 3 350.507 0.728 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)CC(C)(C)C ZINC001189159736 851759604 /nfs/dbraw/zinc/75/96/04/851759604.db2.gz IURSYKOFIUIFSX-ARFHVFGLSA-N 1 3 350.507 0.728 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913742 851842283 /nfs/dbraw/zinc/84/22/83/851842283.db2.gz ZGVIDCHROKYJMC-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913742 851842290 /nfs/dbraw/zinc/84/22/90/851842290.db2.gz ZGVIDCHROKYJMC-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192977733 852329159 /nfs/dbraw/zinc/32/91/59/852329159.db2.gz KDNQDFOARNORNE-KBAYOESNSA-N 1 3 353.507 0.839 20 0 FCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192977733 852329172 /nfs/dbraw/zinc/32/91/72/852329172.db2.gz KDNQDFOARNORNE-KBAYOESNSA-N 1 3 353.507 0.839 20 0 FCADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(S(C)(=O)=O)n1 ZINC001196411765 852954388 /nfs/dbraw/zinc/95/43/88/852954388.db2.gz KJVKIYLFKMZMPH-UHFFFAOYSA-N 1 3 370.519 0.831 20 0 FCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196798814 853015074 /nfs/dbraw/zinc/01/50/74/853015074.db2.gz UTHBPOVSUXOFIP-IAGOWNOFSA-N 1 3 351.495 0.656 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070408 853890784 /nfs/dbraw/zinc/89/07/84/853890784.db2.gz LICMBUFKBXZUPA-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070408 853890789 /nfs/dbraw/zinc/89/07/89/853890789.db2.gz LICMBUFKBXZUPA-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001208070158 853890846 /nfs/dbraw/zinc/89/08/46/853890846.db2.gz FJRYTLGVLWYLCE-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001208070158 853890848 /nfs/dbraw/zinc/89/08/48/853890848.db2.gz FJRYTLGVLWYLCE-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298915 854098463 /nfs/dbraw/zinc/09/84/63/854098463.db2.gz UETLZEAFYYVNAF-IXDOHACOSA-N 1 3 359.511 0.035 20 0 FCADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192336 854527741 /nfs/dbraw/zinc/52/77/41/854527741.db2.gz QBNNTVNBBKDTMZ-CBYDULDESA-N 1 3 351.491 0.855 20 0 FCADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192336 854527749 /nfs/dbraw/zinc/52/77/49/854527749.db2.gz QBNNTVNBBKDTMZ-CBYDULDESA-N 1 3 351.491 0.855 20 0 FCADHO CO[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374585 854593792 /nfs/dbraw/zinc/59/37/92/854593792.db2.gz MUHCOMLBVOZLTF-CHWSQXEVSA-N 1 3 355.401 0.723 20 0 FCADHO CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001213613814 854685896 /nfs/dbraw/zinc/68/58/96/854685896.db2.gz BBWMARCUKBPXRN-QZTJIDSGSA-N 1 3 353.507 0.960 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001213613814 854685900 /nfs/dbraw/zinc/68/59/00/854685900.db2.gz BBWMARCUKBPXRN-QZTJIDSGSA-N 1 3 353.507 0.960 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638177 854694634 /nfs/dbraw/zinc/69/46/34/854694634.db2.gz CDQFXRPYOOGZLV-IAGOWNOFSA-N 1 3 357.495 0.339 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001214665993 854989368 /nfs/dbraw/zinc/98/93/68/854989368.db2.gz OYCLPQJWWOJTTA-XLNGHYISSA-N 1 3 350.507 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001214665993 854989370 /nfs/dbraw/zinc/98/93/70/854989370.db2.gz OYCLPQJWWOJTTA-XLNGHYISSA-N 1 3 350.507 0.774 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214755261 855002377 /nfs/dbraw/zinc/00/23/77/855002377.db2.gz XZXJFDQSUTWOSD-VNQPRFMTSA-N 1 3 356.486 0.724 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214757204 855003646 /nfs/dbraw/zinc/00/36/46/855003646.db2.gz DWCHJLMFACBJQV-MGPQQGTHSA-N 1 3 351.488 0.147 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845556 855022021 /nfs/dbraw/zinc/02/20/21/855022021.db2.gz ZFWLVSDHXYUGSI-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845556 855022026 /nfs/dbraw/zinc/02/20/26/855022026.db2.gz ZFWLVSDHXYUGSI-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847755 855022055 /nfs/dbraw/zinc/02/20/55/855022055.db2.gz QNOAJGKGSPCALI-HUUCEWRRSA-N 1 3 353.511 0.615 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1)N(C)C ZINC001214952820 855039068 /nfs/dbraw/zinc/03/90/68/855039068.db2.gz NVRJVLDDAKKNKL-RBSFLKMASA-N 1 3 362.540 0.093 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215002012 855050851 /nfs/dbraw/zinc/05/08/51/855050851.db2.gz VYJXVILDNQMAOY-HUUCEWRRSA-N 1 3 356.511 0.306 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215002012 855050857 /nfs/dbraw/zinc/05/08/57/855050857.db2.gz VYJXVILDNQMAOY-HUUCEWRRSA-N 1 3 356.511 0.306 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215036280 855056535 /nfs/dbraw/zinc/05/65/35/855056535.db2.gz VEYUCDHDBRYRPD-OIISXLGYSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215036280 855056539 /nfs/dbraw/zinc/05/65/39/855056539.db2.gz VEYUCDHDBRYRPD-OIISXLGYSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184751 855078632 /nfs/dbraw/zinc/07/86/32/855078632.db2.gz RSOGJDRBVSSHSH-LDBBTLTOSA-N 1 3 351.491 0.711 20 0 FCADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001215228460 855085367 /nfs/dbraw/zinc/08/53/67/855085367.db2.gz QHZGYLRLUMPIIZ-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001215228460 855085372 /nfs/dbraw/zinc/08/53/72/855085372.db2.gz QHZGYLRLUMPIIZ-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NCc1ccco1 ZINC001215421988 855112814 /nfs/dbraw/zinc/11/28/14/855112814.db2.gz SZHSUUWQOKPVFG-GDBMZVCRSA-N 1 3 350.463 0.674 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458655 855117207 /nfs/dbraw/zinc/11/72/07/855117207.db2.gz CXYLMMLQJPKXNO-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215539915 855125851 /nfs/dbraw/zinc/12/58/51/855125851.db2.gz CLHAHCWXQPRQBH-HBUWYVDXSA-N 1 3 356.486 0.772 20 0 FCADHO CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C)C1CC1 ZINC001215539917 855126682 /nfs/dbraw/zinc/12/66/82/855126682.db2.gz COCRPUUGUKJPSO-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599236 855131333 /nfs/dbraw/zinc/13/13/33/855131333.db2.gz WHOOYCQOQJCXKQ-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC1CC1 ZINC001215781955 855145706 /nfs/dbraw/zinc/14/57/06/855145706.db2.gz QCVVDEQEZSRKTH-JKIFEVAISA-N 1 3 350.507 0.822 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215973113 855162065 /nfs/dbraw/zinc/16/20/65/855162065.db2.gz RBZSTKSFDCPKMI-ZIAGYGMSSA-N 1 3 355.483 0.130 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001215994326 855163373 /nfs/dbraw/zinc/16/33/73/855163373.db2.gz ZZZKMYTZYRGGJN-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)c(OC)co2)C1 ZINC001216001918 855164081 /nfs/dbraw/zinc/16/40/81/855164081.db2.gz KJAUPERRJKDOQK-UKRRQHHQSA-N 1 3 351.447 0.927 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216002692 855164112 /nfs/dbraw/zinc/16/41/12/855164112.db2.gz ZGKYCJKVNRHRDK-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090705 855168883 /nfs/dbraw/zinc/16/88/83/855168883.db2.gz NJMAGXQGAXUCLW-GDBMZVCRSA-N 1 3 354.495 0.058 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001216382836 855196772 /nfs/dbraw/zinc/19/67/72/855196772.db2.gz DNYLRNVFFZAACQ-HYVNUMGLSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001216382836 855196777 /nfs/dbraw/zinc/19/67/77/855196777.db2.gz DNYLRNVFFZAACQ-HYVNUMGLSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001216383832 855197780 /nfs/dbraw/zinc/19/77/80/855197780.db2.gz QSKSUNAGVJNACQ-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001216383832 855197784 /nfs/dbraw/zinc/19/77/84/855197784.db2.gz QSKSUNAGVJNACQ-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216511352 855209718 /nfs/dbraw/zinc/20/97/18/855209718.db2.gz OXVWFHBEARPPPO-HUUCEWRRSA-N 1 3 359.536 0.590 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001216511227 855209921 /nfs/dbraw/zinc/20/99/21/855209921.db2.gz NHKJEWLKKANZPY-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001216841071 855255403 /nfs/dbraw/zinc/25/54/03/855255403.db2.gz OIFLSZWJFKYFRK-HLLBOEOZSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216851759 855259727 /nfs/dbraw/zinc/25/97/27/855259727.db2.gz HORRHCZCKZNFSG-BZUAXINKSA-N 1 3 359.536 0.588 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]CC1(C)C ZINC001218313043 855414257 /nfs/dbraw/zinc/41/42/57/855414257.db2.gz XYUUATNBMKSQSM-SNVBAGLBSA-N 1 3 352.435 0.528 20 0 FCADHO CC(C)(C)N(C(=O)[C@@H]1C[NH2+]CC12CNC2)S(=O)(=O)c1cccc(N)c1 ZINC001218846779 855485699 /nfs/dbraw/zinc/48/56/99/855485699.db2.gz JQLIPCNYBJCXNK-AWEZNQCLSA-N 1 3 366.487 0.394 20 0 FCADHO CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218854150 855486676 /nfs/dbraw/zinc/48/66/76/855486676.db2.gz SQJCCAYBABBPCR-SJKOYZFVSA-N 1 3 367.471 0.626 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC001218962432 855503628 /nfs/dbraw/zinc/50/36/28/855503628.db2.gz MFSUMKZOBLTHNM-VIFPVBQESA-N 1 3 355.247 0.646 20 0 FCADHO COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001219169726 855571377 /nfs/dbraw/zinc/57/13/77/855571377.db2.gz IXCXMZNFLYOUMF-CQSZACIVSA-N 1 3 350.419 0.315 20 0 FCADHO Cc1nn(CCNC(=O)[C@@H](N)CSCC[NH3+])c(C)c1Br ZINC001219997310 855910699 /nfs/dbraw/zinc/91/06/99/855910699.db2.gz ROZRUHOBIBILAL-JTQLQIEISA-N 1 3 364.313 0.398 20 0 FCADHO N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1nccs1 ZINC001220154317 855985279 /nfs/dbraw/zinc/98/52/79/855985279.db2.gz QIPDYWJJUXCNFP-QWRGUYRKSA-N 1 3 352.464 0.032 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220185401 855997932 /nfs/dbraw/zinc/99/79/32/855997932.db2.gz GZJPANHFYLGMIZ-KRWDZBQOSA-N 1 3 350.463 0.971 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)COC1(C)C ZINC001220335233 856071151 /nfs/dbraw/zinc/07/11/51/856071151.db2.gz JWBRBVRXOPOELV-KKUMJFAQSA-N 1 3 354.495 0.534 20 0 FCADHO C[C@@H](COCC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387322 856100719 /nfs/dbraw/zinc/10/07/19/856100719.db2.gz HLKJYUVVHFYHTQ-BBWFWOEESA-N 1 3 359.486 0.788 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609645 856205941 /nfs/dbraw/zinc/20/59/41/856205941.db2.gz CWUPSVREVWJZBM-AUTRQRHGSA-N 1 3 357.252 0.417 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803135 856307913 /nfs/dbraw/zinc/30/79/13/856307913.db2.gz CEHGGWXRAQXXEZ-BJDJZHNGSA-N 1 3 352.401 0.521 20 0 FCADHO COC(=O)c1ccc(CNC(=O)[C@@H](N)CCC[NH3+])c(Br)c1 ZINC001220847527 856335728 /nfs/dbraw/zinc/33/57/28/856335728.db2.gz WXUFJHZWGRUDBG-LBPRGKRZSA-N 1 3 358.236 0.918 20 0 FCADHO O=C(CNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F)N1CCN(C2CCCCC2)CC1 ZINC001220900991 856364504 /nfs/dbraw/zinc/36/45/04/856364504.db2.gz ROYBLINWXKRBNI-CVEARBPZSA-N 1 3 354.470 0.527 20 0 FCADHO N[C@@H](C(=O)NC1CCN(C(=O)NC2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001220909249 856368718 /nfs/dbraw/zinc/36/87/18/856368718.db2.gz PLJRAJIZJNXJDW-MRXNPFEDSA-N 1 3 351.495 0.546 20 0 FCADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221006143 856419119 /nfs/dbraw/zinc/41/91/19/856419119.db2.gz AOKHELFFOGNRAU-RBSFLKMASA-N 1 3 352.479 0.051 20 0 FCADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221006143 856419126 /nfs/dbraw/zinc/41/91/26/856419126.db2.gz AOKHELFFOGNRAU-RBSFLKMASA-N 1 3 352.479 0.051 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221081201 856452901 /nfs/dbraw/zinc/45/29/01/856452901.db2.gz FUNKJSLFLUDCRK-KSZLIROESA-N 1 3 353.507 0.840 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221081436 856453039 /nfs/dbraw/zinc/45/30/39/856453039.db2.gz LSZRSPNMRGPKKN-KURKYZTESA-N 1 3 353.507 0.983 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001221182165 856503204 /nfs/dbraw/zinc/50/32/04/856503204.db2.gz ZCYRFHFEERCTPO-NSHDSACASA-N 1 3 360.384 0.647 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCNC(=O)C3CC3)CC2)CC[N@@H+]1C ZINC001223239754 856903913 /nfs/dbraw/zinc/90/39/13/856903913.db2.gz NDTXRBRDCVUFRE-RHSMWYFYSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(CCNC(=O)C3CC3)CC2)CC[N@H+]1C ZINC001223239754 856903925 /nfs/dbraw/zinc/90/39/25/856903925.db2.gz NDTXRBRDCVUFRE-RHSMWYFYSA-N 1 3 350.507 0.681 20 0 FCADHO CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297115 857096013 /nfs/dbraw/zinc/09/60/13/857096013.db2.gz PRURPMOZGMGSCX-GVDBMIGSSA-N 1 3 350.507 0.871 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001226564819 857110024 /nfs/dbraw/zinc/11/00/24/857110024.db2.gz PPLHLENWWMZFDC-BZUAXINKSA-N 1 3 356.486 0.916 20 0 FCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001226800820 857126916 /nfs/dbraw/zinc/12/69/16/857126916.db2.gz OOLAKIFDYRJFQW-BZUAXINKSA-N 1 3 359.536 0.778 20 0 FCADHO CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028881 857138410 /nfs/dbraw/zinc/13/84/10/857138410.db2.gz RCCJWDVBQVAYDX-HZPDHXFCSA-N 1 3 371.547 0.924 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230274583 857322896 /nfs/dbraw/zinc/32/28/96/857322896.db2.gz AOOYOTLJZWOZAE-MGPQQGTHSA-N 1 3 355.483 0.188 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c(OC)c1 ZINC001238238903 857463807 /nfs/dbraw/zinc/46/38/07/857463807.db2.gz ABCQPBZUMZJFRX-CYBMUJFWSA-N 1 3 369.487 0.856 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)c(OC)c1 ZINC001238238903 857463811 /nfs/dbraw/zinc/46/38/11/857463811.db2.gz ABCQPBZUMZJFRX-CYBMUJFWSA-N 1 3 369.487 0.856 20 0 FCADHO COc1cccc(CS(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238244286 857466314 /nfs/dbraw/zinc/46/63/14/857466314.db2.gz ZROVKUDNXZRVFW-HNNXBMFYSA-N 1 3 353.488 0.989 20 0 FCADHO COc1cccc(CS(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238244286 857466319 /nfs/dbraw/zinc/46/63/19/857466319.db2.gz ZROVKUDNXZRVFW-HNNXBMFYSA-N 1 3 353.488 0.989 20 0 FCADHO [NH3+]CCCC[C@H]([N-]S(=O)(=O)[C@@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001238411874 857470571 /nfs/dbraw/zinc/47/05/71/857470571.db2.gz HLZKPJRANOUHEZ-CVEARBPZSA-N 1 3 369.487 0.509 20 0 FCADHO C[NH+](C)CCNC(=S)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001249833743 857650381 /nfs/dbraw/zinc/65/03/81/857650381.db2.gz XJHMRZNFDKHVRK-IRXDYDNUSA-N 1 3 363.531 0.793 20 0 FCADHO CN1CC[NH+](C2CCN(C[C@@H](O)COCC(F)(F)C(F)F)CC2)CC1 ZINC001251576410 857731353 /nfs/dbraw/zinc/73/13/53/857731353.db2.gz ZKBOQCBRMYELST-CQSZACIVSA-N 1 3 371.419 0.976 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001253182668 857869602 /nfs/dbraw/zinc/86/96/02/857869602.db2.gz SGXVEVGDRJGILF-RBUKOAKNSA-N 1 3 357.539 0.750 20 0 FCADHO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CCCN(C)CC2)S(C)(=O)=O)cn1 ZINC001254519666 857977411 /nfs/dbraw/zinc/97/74/11/857977411.db2.gz UPPWKQASPIKBHC-IXDOHACOSA-N 1 3 369.535 0.439 20 0 FCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](N1CCN(CC[NH3+])CC1)CCO2 ZINC001254809803 857987426 /nfs/dbraw/zinc/98/74/26/857987426.db2.gz NRQBOHADJJRBOL-OAHLLOKOSA-N 1 3 354.495 0.731 20 0 FCADHO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C1CCC(N3CCOCC3)CC1)C2 ZINC001256690733 858095101 /nfs/dbraw/zinc/09/51/01/858095101.db2.gz KUXWJATXBQEWHT-HTPOPCQBSA-N 1 3 351.491 0.857 20 0 FCADHO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C1CCC(N3CCOCC3)CC1)C2 ZINC001256690733 858095112 /nfs/dbraw/zinc/09/51/12/858095112.db2.gz KUXWJATXBQEWHT-HTPOPCQBSA-N 1 3 351.491 0.857 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CCSC1 ZINC001257110586 858119888 /nfs/dbraw/zinc/11/98/88/858119888.db2.gz NEUCRPOAPIGBPQ-CPUCHLNUSA-N 1 3 356.536 0.529 20 0 FCADHO CC(C)CN1CCC([N@@H+]2C[C@@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)CC1 ZINC001258011862 858173821 /nfs/dbraw/zinc/17/38/21/858173821.db2.gz KSBCKBCURVPUBX-RCCFBDPRSA-N 1 3 353.507 0.911 20 0 FCADHO CC(C)CN1CCC([N@H+]2C[C@@H](OCC(=O)N(C)C)[C@H]3COC[C@H]32)CC1 ZINC001258011862 858173830 /nfs/dbraw/zinc/17/38/30/858173830.db2.gz KSBCKBCURVPUBX-RCCFBDPRSA-N 1 3 353.507 0.911 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001264098295 859310676 /nfs/dbraw/zinc/31/06/76/859310676.db2.gz DUNGTDIPUTYDDD-SQNIBIBYSA-N 1 3 353.507 0.506 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001264098295 859310685 /nfs/dbraw/zinc/31/06/85/859310685.db2.gz DUNGTDIPUTYDDD-SQNIBIBYSA-N 1 3 353.507 0.506 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001270155044 859668400 /nfs/dbraw/zinc/66/84/00/859668400.db2.gz DIOAUNMMWUDQIE-QFBILLFUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[C@H]1CCC[N@H+](C)C1 ZINC001271657639 859987625 /nfs/dbraw/zinc/98/76/25/859987625.db2.gz AYTVPOLOCAYRBX-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[C@H]1CCC[N@@H+](C)C1 ZINC001271657639 859987632 /nfs/dbraw/zinc/98/76/32/859987632.db2.gz AYTVPOLOCAYRBX-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001273790041 860600728 /nfs/dbraw/zinc/60/07/28/860600728.db2.gz VOLJVOQIHJDXRA-INIZCTEOSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275063364 860927039 /nfs/dbraw/zinc/92/70/39/860927039.db2.gz KWWTZKNVAXLXCI-IBGZPJMESA-N 1 3 352.523 0.583 20 0 FCADHO CC(C)C[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275063364 860927059 /nfs/dbraw/zinc/92/70/59/860927059.db2.gz KWWTZKNVAXLXCI-IBGZPJMESA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(C)CCN1C)C2 ZINC001275176835 860979396 /nfs/dbraw/zinc/97/93/96/860979396.db2.gz LPYYOHSMBPWHHY-PKOBYXMFSA-N 1 3 351.539 0.108 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(C)CCN1C)C2 ZINC001275176835 860979405 /nfs/dbraw/zinc/97/94/05/860979405.db2.gz LPYYOHSMBPWHHY-PKOBYXMFSA-N 1 3 351.539 0.108 20 0 FCADHO CC(=O)[C@H](C)N1C[C@]2(CCN(CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743685 861187946 /nfs/dbraw/zinc/18/79/46/861187946.db2.gz URFQLAUOXCTKLS-HNAYVOBHSA-N 1 3 351.491 0.999 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914412 863133581 /nfs/dbraw/zinc/13/35/81/863133581.db2.gz QRLQLTRZKIEMIG-LPHOPBHVSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+]1CCC(CCN2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280141074 863290619 /nfs/dbraw/zinc/29/06/19/863290619.db2.gz PMWXXZZGJWPSJH-NVXWUHKLSA-N 1 3 357.520 0.201 20 0 FCADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCN(C)CC1 ZINC001280246166 863358010 /nfs/dbraw/zinc/35/80/10/863358010.db2.gz RTQGDLBJPDUHFE-YQQQUEKLSA-N 1 3 354.539 0.829 20 0 FCADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CCN(C)CC1 ZINC001280246166 863358026 /nfs/dbraw/zinc/35/80/26/863358026.db2.gz RTQGDLBJPDUHFE-YQQQUEKLSA-N 1 3 354.539 0.829 20 0 FCADHO CN1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCC2COC2)C1 ZINC001280256194 863362220 /nfs/dbraw/zinc/36/22/20/863362220.db2.gz BOAIVKFMTXKQMN-NVXWUHKLSA-N 1 3 351.491 0.429 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1)N(C)C ZINC001282307522 864180724 /nfs/dbraw/zinc/18/07/24/864180724.db2.gz YQIXLRXWYGPEIE-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1)N(C)C ZINC001282307522 864180732 /nfs/dbraw/zinc/18/07/32/864180732.db2.gz YQIXLRXWYGPEIE-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO CN1CCN(CC2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)CC1 ZINC001298438276 866114339 /nfs/dbraw/zinc/11/43/39/866114339.db2.gz UETLFZBTFCKXJQ-GOSISDBHSA-N 1 3 366.575 0.910 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001311531500 867110009 /nfs/dbraw/zinc/11/00/09/867110009.db2.gz ABWKXERNBQUJBQ-INIZCTEOSA-N 1 3 355.527 0.158 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001311531500 867110022 /nfs/dbraw/zinc/11/00/22/867110022.db2.gz ABWKXERNBQUJBQ-INIZCTEOSA-N 1 3 355.527 0.158 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CC1 ZINC001353554011 867447543 /nfs/dbraw/zinc/44/75/43/867447543.db2.gz LZMGCICYYGLNRH-JCGIZDLHSA-N 1 3 351.491 0.713 20 0 FCADHO C[C@@H](CCS(C)(=O)=O)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001319158267 867841996 /nfs/dbraw/zinc/84/19/96/867841996.db2.gz UMYORVMZKCXPNZ-AWEZNQCLSA-N 1 3 374.551 0.667 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)CC[NH2+]CC2 ZINC001326142798 870183472 /nfs/dbraw/zinc/18/34/72/870183472.db2.gz QGVWUALWOVJEOL-KSSFIOAISA-N 1 3 368.547 0.531 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001327413836 870852191 /nfs/dbraw/zinc/85/21/91/870852191.db2.gz YOAZSFZZEVQMML-KXBFYZLASA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001346265016 871737878 /nfs/dbraw/zinc/73/78/78/871737878.db2.gz RTZNBFVSMILSBK-HZPDHXFCSA-N 1 3 353.511 0.761 20 0 FCADHO C[NH+](C)C[C@](C)(O)CNC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289647 871753840 /nfs/dbraw/zinc/75/38/40/871753840.db2.gz WWLZQIBNZQXHKV-MAUKXSAKSA-N 1 3 359.511 0.897 20 0 FCADHO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)c2)CC1 ZINC001331968524 873317338 /nfs/dbraw/zinc/31/73/38/873317338.db2.gz JGMZVSRNZAZPDX-INIZCTEOSA-N 1 3 368.503 0.135 20 0 FCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574704056 949364945 /nfs/dbraw/zinc/36/49/45/949364945.db2.gz JZZREAFJEKYYBE-CQSZACIVSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574704056 949364970 /nfs/dbraw/zinc/36/49/70/949364970.db2.gz JZZREAFJEKYYBE-CQSZACIVSA-N 1 3 369.473 0.899 20 0 FCADHO Cc1cc(N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571102700 952349728 /nfs/dbraw/zinc/34/97/28/952349728.db2.gz FGXSODPKLSIYJQ-BBRMVZONSA-N 1 3 372.477 0.591 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571105131 952390059 /nfs/dbraw/zinc/39/00/59/952390059.db2.gz IKRNJQWXCCTITR-DOMZBBRYSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571105131 952390066 /nfs/dbraw/zinc/39/00/66/952390066.db2.gz IKRNJQWXCCTITR-DOMZBBRYSA-N 1 3 373.436 0.648 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331466919 215001526 /nfs/dbraw/zinc/00/15/26/215001526.db2.gz VKKBATPNCCWSRO-JSRQGNBESA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000331581963 215018329 /nfs/dbraw/zinc/01/83/29/215018329.db2.gz FUBDMSVYUDQTNJ-BFYDXBDKSA-N 1 3 366.506 0.284 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000331620158 215023973 /nfs/dbraw/zinc/02/39/73/215023973.db2.gz FFAFUEIXICXYAN-IXDOHACOSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000331620158 215023975 /nfs/dbraw/zinc/02/39/75/215023975.db2.gz FFAFUEIXICXYAN-IXDOHACOSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000331841843 215054987 /nfs/dbraw/zinc/05/49/87/215054987.db2.gz BQDTUPCKHIEJBZ-ZACQAIPSSA-N 1 3 366.506 0.033 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000331841840 215055387 /nfs/dbraw/zinc/05/53/87/215055387.db2.gz BQDTUPCKHIEJBZ-IKGGRYGDSA-N 1 3 366.506 0.033 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332268042 215119154 /nfs/dbraw/zinc/11/91/54/215119154.db2.gz GAMVFWLADYKAHE-UXLLHSPISA-N 1 3 366.506 0.284 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000333300275 215261062 /nfs/dbraw/zinc/26/10/62/215261062.db2.gz BTPWQJBPTZTVBW-HNNXBMFYSA-N 1 3 351.495 0.419 20 0 FCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406131 215276775 /nfs/dbraw/zinc/27/67/75/215276775.db2.gz ZICGCLIMXDCUBJ-HOTGVXAUSA-N 1 3 359.478 0.977 20 0 FCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406131 215276777 /nfs/dbraw/zinc/27/67/77/215276777.db2.gz ZICGCLIMXDCUBJ-HOTGVXAUSA-N 1 3 359.478 0.977 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333546674 215295550 /nfs/dbraw/zinc/29/55/50/215295550.db2.gz OQUGYWWLFCSSOW-IXDOHACOSA-N 1 3 353.511 0.175 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333546674 215295554 /nfs/dbraw/zinc/29/55/54/215295554.db2.gz OQUGYWWLFCSSOW-IXDOHACOSA-N 1 3 353.511 0.175 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333639932 215303100 /nfs/dbraw/zinc/30/31/00/215303100.db2.gz UHDCRUCEWWLAAV-LJQANCHMSA-N 1 3 372.517 0.987 20 0 FCADHO CCN1CCCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000333653363 215304990 /nfs/dbraw/zinc/30/49/90/215304990.db2.gz KEYFOSOIANRTHL-ZDUSSCGKSA-N 1 3 351.417 0.560 20 0 FCADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644636 215305383 /nfs/dbraw/zinc/30/53/83/215305383.db2.gz XXOVHPKISNXSOQ-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000333761605 215316727 /nfs/dbraw/zinc/31/67/27/215316727.db2.gz ANRVKPSZBQRWRH-CVEARBPZSA-N 1 3 351.495 0.452 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333882537 215327659 /nfs/dbraw/zinc/32/76/59/215327659.db2.gz WMPXLXOZVPZMDW-JZXOWHBKSA-N 1 3 365.522 0.757 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333891224 215328878 /nfs/dbraw/zinc/32/88/78/215328878.db2.gz GYPSVWQWIMIKJC-YYIAUSFCSA-N 1 3 363.506 0.323 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333945495 215333633 /nfs/dbraw/zinc/33/36/33/215333633.db2.gz SXLRMVJYKSYUTM-XHSDSOJGSA-N 1 3 351.495 0.370 20 0 FCADHO CN1CCC(CNC(=O)N2CC[C@H]([NH+](C)C)C2)(N2CCOCC2)CC1 ZINC000334111687 215345338 /nfs/dbraw/zinc/34/53/38/215345338.db2.gz CJZAJOXOUDNSLQ-INIZCTEOSA-N 1 3 353.511 0.129 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284137836 213083082 /nfs/dbraw/zinc/08/30/82/213083082.db2.gz DMLDUAGETINGGO-IRXDYDNUSA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284137836 213083086 /nfs/dbraw/zinc/08/30/86/213083086.db2.gz DMLDUAGETINGGO-IRXDYDNUSA-N 1 3 362.474 0.913 20 0 FCADHO COC[C@@H]1C[C@H](O)CN1Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2COC)c1 ZINC000411909287 237101705 /nfs/dbraw/zinc/10/17/05/237101705.db2.gz JSARCUNJYORZMY-MUGJNUQGSA-N 1 3 364.486 0.850 20 0 FCADHO COC[C@@H]1C[C@H](O)CN1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2COC)c1 ZINC000411909287 237101712 /nfs/dbraw/zinc/10/17/12/237101712.db2.gz JSARCUNJYORZMY-MUGJNUQGSA-N 1 3 364.486 0.850 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413189847 237294680 /nfs/dbraw/zinc/29/46/80/237294680.db2.gz JAHXWGLLEQJRCD-MRXNPFEDSA-N 1 3 355.527 0.422 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246768453 209398307 /nfs/dbraw/zinc/39/83/07/209398307.db2.gz HZRHPKAUHSWLHJ-GVDBMIGSSA-N 1 3 365.522 0.807 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000246479876 209391131 /nfs/dbraw/zinc/39/11/31/209391131.db2.gz RMJQXJFLIUROLR-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000246479876 209391128 /nfs/dbraw/zinc/39/11/28/209391128.db2.gz RMJQXJFLIUROLR-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)N(C)C ZINC000414685531 245310992 /nfs/dbraw/zinc/31/09/92/245310992.db2.gz ZOCSGAMQHOTZLR-GDBMZVCRSA-N 1 3 361.490 0.929 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000414708205 245316296 /nfs/dbraw/zinc/31/62/96/245316296.db2.gz PXWDCIKDEYAFGD-UHFFFAOYSA-N 1 3 360.458 0.955 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415244210 245367718 /nfs/dbraw/zinc/36/77/18/245367718.db2.gz MOTCHHFILZQVFC-LJQANCHMSA-N 1 3 360.458 0.907 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)c(C)c2)CC1 ZINC000415293864 245380286 /nfs/dbraw/zinc/38/02/86/245380286.db2.gz DXNXHJYUEZCVMU-MRXNPFEDSA-N 1 3 373.501 0.896 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCC[NH2+]C)cc2)CC1 ZINC000415305209 245381636 /nfs/dbraw/zinc/38/16/36/245381636.db2.gz IPQIJUMZVWDXKD-UHFFFAOYSA-N 1 3 361.490 0.488 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCCCC[NH3+])c(C)c2)CC1 ZINC000415558074 245435245 /nfs/dbraw/zinc/43/52/45/245435245.db2.gz FAUNKPVCISHNQN-UHFFFAOYSA-N 1 3 361.490 0.931 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](C(N)=O)C(C)(C)C)CC2)CC1 ZINC000183557286 209148312 /nfs/dbraw/zinc/14/83/12/209148312.db2.gz KCWFPRQHCSGBLX-OAHLLOKOSA-N 1 3 353.511 0.744 20 0 FCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000419038252 245951252 /nfs/dbraw/zinc/95/12/52/245951252.db2.gz FCOLCNKKKLQDOY-INIZCTEOSA-N 1 3 356.511 0.482 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000419129136 246004785 /nfs/dbraw/zinc/00/47/85/246004785.db2.gz CRWBKFBDITZBQT-INIZCTEOSA-N 1 3 364.515 0.930 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCNCc2cccnc2)C1 ZINC000419130073 246005372 /nfs/dbraw/zinc/00/53/72/246005372.db2.gz BZUWQMWMRKUBBB-SJORKVTESA-N 1 3 361.490 0.667 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000419135151 246009213 /nfs/dbraw/zinc/00/92/13/246009213.db2.gz KSKCWRLRLFLACX-XLAORIBOSA-N 1 3 358.486 0.929 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000419139921 246011834 /nfs/dbraw/zinc/01/18/34/246011834.db2.gz VCWHNIOPIJXKAF-AWEZNQCLSA-N 1 3 350.488 0.636 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419162675 246025809 /nfs/dbraw/zinc/02/58/09/246025809.db2.gz HRXUFQVIFBUYAL-DOTOQJQBSA-N 1 3 362.474 0.105 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419141830 246012519 /nfs/dbraw/zinc/01/25/19/246012519.db2.gz XLDOWXPPINRXCU-ZDUSSCGKSA-N 1 3 352.504 0.930 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419150168 246016771 /nfs/dbraw/zinc/01/67/71/246016771.db2.gz LYWCXEIBIOTEGO-UHFFFAOYSA-N 1 3 364.490 0.687 20 0 FCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419168453 246030344 /nfs/dbraw/zinc/03/03/44/246030344.db2.gz SHONQCRICQIKTJ-QZTJIDSGSA-N 1 3 374.485 0.262 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000419196451 246046487 /nfs/dbraw/zinc/04/64/87/246046487.db2.gz BAUMBNBGODEFPL-HOCLYGCPSA-N 1 3 362.474 0.439 20 0 FCADHO [NH3+]CCNC(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000419194205 246045875 /nfs/dbraw/zinc/04/58/75/246045875.db2.gz VVWLIZHJUXBGOR-RBUKOAKNSA-N 1 3 366.465 0.846 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000419220643 246062000 /nfs/dbraw/zinc/06/20/00/246062000.db2.gz VEJHMRZHVUXSIB-PBHICJAKSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225459 246063867 /nfs/dbraw/zinc/06/38/67/246063867.db2.gz HBQNBHJRRBVQDW-KBAYOESNSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000419199025 246048089 /nfs/dbraw/zinc/04/80/89/246048089.db2.gz DIVGMUVTTOLRRN-HOCLYGCPSA-N 1 3 362.474 0.439 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000419201814 246050409 /nfs/dbraw/zinc/05/04/09/246050409.db2.gz GNWHILYZNCMGIJ-JKSUJKDBSA-N 1 3 362.474 0.629 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000419229041 246068686 /nfs/dbraw/zinc/06/86/86/246068686.db2.gz NKGITDKDSVNDPQ-JZXOWHBKSA-N 1 3 360.502 0.985 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419243678 246074097 /nfs/dbraw/zinc/07/40/97/246074097.db2.gz SVRZCUORZMNSPK-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419371678 246122665 /nfs/dbraw/zinc/12/26/65/246122665.db2.gz JJASVQJCQYLMHZ-QAPCUYQASA-N 1 3 372.513 0.788 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)Cc2ccccc2C1 ZINC000419376668 246124631 /nfs/dbraw/zinc/12/46/31/246124631.db2.gz SLHNSCITGXKAHV-LJQANCHMSA-N 1 3 358.486 0.399 20 0 FCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419412588 246146533 /nfs/dbraw/zinc/14/65/33/246146533.db2.gz DMFGQSBOTAKRBC-MSOLQXFVSA-N 1 3 373.501 0.041 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419427614 246160284 /nfs/dbraw/zinc/16/02/84/246160284.db2.gz RYWDNNXYERXROL-MRXNPFEDSA-N 1 3 358.486 0.619 20 0 FCADHO NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419504112 246183187 /nfs/dbraw/zinc/18/31/87/246183187.db2.gz FXVHGPNBWINWOS-MSOLQXFVSA-N 1 3 358.486 0.965 20 0 FCADHO NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419504112 246183191 /nfs/dbraw/zinc/18/31/91/246183191.db2.gz FXVHGPNBWINWOS-MSOLQXFVSA-N 1 3 358.486 0.965 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419530357 246193349 /nfs/dbraw/zinc/19/33/49/246193349.db2.gz ZCAQLUFECJGZSH-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO COCCN(C)CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419523156 246189668 /nfs/dbraw/zinc/18/96/68/246189668.db2.gz AGCDWUXAFCZXQU-DLBZAZTESA-N 1 3 362.474 0.372 20 0 FCADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419659013 246232821 /nfs/dbraw/zinc/23/28/21/246232821.db2.gz ZNPXLJBAFBPMNH-BHYGNILZSA-N 1 3 358.486 0.910 20 0 FCADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000419656894 246232931 /nfs/dbraw/zinc/23/29/31/246232931.db2.gz VHQREIMDFJEFEA-ZBFHGGJFSA-N 1 3 362.474 0.337 20 0 FCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419653484 246231345 /nfs/dbraw/zinc/23/13/45/246231345.db2.gz QWMHQNOCULAUTB-GDBMZVCRSA-N 1 3 362.474 0.418 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717421 246268363 /nfs/dbraw/zinc/26/83/63/246268363.db2.gz BFQYTZXSMLNYDG-YPMHNXCESA-N 1 3 354.495 0.641 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419687803 246249783 /nfs/dbraw/zinc/24/97/83/246249783.db2.gz QBQXQTLGJOYJDK-HOTGVXAUSA-N 1 3 366.506 0.476 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C[C@@H]1C[NH3+] ZINC000419688983 246252072 /nfs/dbraw/zinc/25/20/72/246252072.db2.gz SHPLFTQHJAGONY-HOTGVXAUSA-N 1 3 366.506 0.191 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778324 246292863 /nfs/dbraw/zinc/29/28/63/246292863.db2.gz OQKWYAJTTJJKOL-WFASDCNBSA-N 1 3 352.479 0.206 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813861 246303324 /nfs/dbraw/zinc/30/33/24/246303324.db2.gz JTCVGIQVWPANTH-KBPBESRZSA-N 1 3 354.495 0.596 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419728788 246274975 /nfs/dbraw/zinc/27/49/75/246274975.db2.gz YWHUBKDXLNRVBC-CALCHBBNSA-N 1 3 356.470 0.445 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@H](C)CC[NH3+])CCCC2)CC1 ZINC000419745939 246279661 /nfs/dbraw/zinc/27/96/61/246279661.db2.gz BERFYIIQUVOXFV-CQSZACIVSA-N 1 3 354.495 0.380 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419874962 246340874 /nfs/dbraw/zinc/34/08/74/246340874.db2.gz OAEGYMQVPBSSOP-FQEVSTJZSA-N 1 3 358.486 0.837 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000419834967 246312665 /nfs/dbraw/zinc/31/26/65/246312665.db2.gz UPKRTULMHXGMSD-DOTOQJQBSA-N 1 3 367.538 0.010 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419851950 246322173 /nfs/dbraw/zinc/32/21/73/246322173.db2.gz BUBHQNXKEPEXHM-AWEZNQCLSA-N 1 3 352.504 0.754 20 0 FCADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419889299 246353005 /nfs/dbraw/zinc/35/30/05/246353005.db2.gz SAJFCZSHKBYDLG-RXVVDRJESA-N 1 3 370.497 0.979 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)o1 ZINC000419978848 246398782 /nfs/dbraw/zinc/39/87/82/246398782.db2.gz OLDMTHOYCNXAHZ-INIZCTEOSA-N 1 3 364.490 0.984 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)o1 ZINC000419978850 246399043 /nfs/dbraw/zinc/39/90/43/246399043.db2.gz OLDMTHOYCNXAHZ-MRXNPFEDSA-N 1 3 364.490 0.984 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423361997 247011709 /nfs/dbraw/zinc/01/17/09/247011709.db2.gz HKTMZGOLRXCUFI-SFHVURJKSA-N 1 3 364.515 0.850 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000423375613 247015085 /nfs/dbraw/zinc/01/50/85/247015085.db2.gz UJDXXEFBZBJTAX-HUUCEWRRSA-N 1 3 350.463 0.613 20 0 FCADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423398563 247020629 /nfs/dbraw/zinc/02/06/29/247020629.db2.gz VOXFKDUERJSMNW-UPJWGTAASA-N 1 3 357.442 0.768 20 0 FCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423414703 247021915 /nfs/dbraw/zinc/02/19/15/247021915.db2.gz NNSOQHRPLYWEGS-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530548 247045054 /nfs/dbraw/zinc/04/50/54/247045054.db2.gz PPSHROWYMNRVNV-DLBZAZTESA-N 1 3 367.538 0.199 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530548 247045057 /nfs/dbraw/zinc/04/50/57/247045057.db2.gz PPSHROWYMNRVNV-DLBZAZTESA-N 1 3 367.538 0.199 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000423584684 247063840 /nfs/dbraw/zinc/06/38/40/247063840.db2.gz PQDMAQWTGMCHTN-ZWKOTPCHSA-N 1 3 358.486 0.929 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423514174 247039920 /nfs/dbraw/zinc/03/99/20/247039920.db2.gz SJDPUSKWXMHTPY-INIZCTEOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000423608154 247072879 /nfs/dbraw/zinc/07/28/79/247072879.db2.gz KGBLJXXDGIWMLK-ZFWWWQNUSA-N 1 3 352.504 0.834 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423620059 247078568 /nfs/dbraw/zinc/07/85/68/247078568.db2.gz ZIMMGYVSRXACFV-GASCZTMLSA-N 1 3 350.488 0.316 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423619182 247078918 /nfs/dbraw/zinc/07/89/18/247078918.db2.gz HZOKJOFNTWYXRC-JKSUJKDBSA-N 1 3 354.495 0.286 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423730382 247131386 /nfs/dbraw/zinc/13/13/86/247131386.db2.gz XWNPCGKWKPQHRQ-ARFHVFGLSA-N 1 3 368.522 0.530 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423734433 247133357 /nfs/dbraw/zinc/13/33/57/247133357.db2.gz QXWNHLWDLWSCLA-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424491469 247237633 /nfs/dbraw/zinc/23/76/33/247237633.db2.gz DKVYUPCNNOEONY-WZGPROSRSA-N 1 3 370.497 0.915 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424491470 247238019 /nfs/dbraw/zinc/23/80/19/247238019.db2.gz DKVYUPCNNOEONY-XGXHKWSGSA-N 1 3 370.497 0.915 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000424430605 247214215 /nfs/dbraw/zinc/21/42/15/247214215.db2.gz CPRVAQFWNMTTHQ-UHFFFAOYSA-N 1 3 363.506 0.965 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000424444568 247216991 /nfs/dbraw/zinc/21/69/91/247216991.db2.gz CPWIOPZDCIZOGW-OAHLLOKOSA-N 1 3 361.490 0.392 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000424444665 247217452 /nfs/dbraw/zinc/21/74/52/247217452.db2.gz DEAJUOHATUVJLH-KRWDZBQOSA-N 1 3 362.474 0.961 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424542991 247257283 /nfs/dbraw/zinc/25/72/83/247257283.db2.gz JCJYCDNDXPSARE-ZWKOTPCHSA-N 1 3 358.486 0.835 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@@H]1C ZINC000425396794 247335568 /nfs/dbraw/zinc/33/55/68/247335568.db2.gz ZHYSHNSHOQTOBG-LUKYLMHMSA-N 1 3 350.507 0.870 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@@H]1C ZINC000425396794 247335571 /nfs/dbraw/zinc/33/55/71/247335571.db2.gz ZHYSHNSHOQTOBG-LUKYLMHMSA-N 1 3 350.507 0.870 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000436060718 248030669 /nfs/dbraw/zinc/03/06/69/248030669.db2.gz FVPPWXBDKPTTAU-QGZVFWFLSA-N 1 3 365.522 0.049 20 0 FCADHO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443072477 248305808 /nfs/dbraw/zinc/30/58/08/248305808.db2.gz NNTPSEWKUUFCQM-HNNXBMFYSA-N 1 3 368.503 0.054 20 0 FCADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000444353837 248355830 /nfs/dbraw/zinc/35/58/30/248355830.db2.gz RXYNTKJNVTXUPE-MAUKXSAKSA-N 1 3 353.507 0.933 20 0 FCADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000444353837 248355832 /nfs/dbraw/zinc/35/58/32/248355832.db2.gz RXYNTKJNVTXUPE-MAUKXSAKSA-N 1 3 353.507 0.933 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000471470802 250103652 /nfs/dbraw/zinc/10/36/52/250103652.db2.gz JYJZLWSSUSWUES-OAGGEKHMSA-N 1 3 369.510 0.077 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000471470802 250103655 /nfs/dbraw/zinc/10/36/55/250103655.db2.gz JYJZLWSSUSWUES-OAGGEKHMSA-N 1 3 369.510 0.077 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000472985990 250191886 /nfs/dbraw/zinc/19/18/86/250191886.db2.gz BYXHUTBRHGCDRW-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000472985990 250191888 /nfs/dbraw/zinc/19/18/88/250191888.db2.gz BYXHUTBRHGCDRW-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930870 250298932 /nfs/dbraw/zinc/29/89/32/250298932.db2.gz IQRVRRKWEUAOKX-XHSDSOJGSA-N 1 3 356.511 0.163 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000481700374 250350072 /nfs/dbraw/zinc/35/00/72/250350072.db2.gz ZBFNMTFLAHBVRB-SJLPKXTDSA-N 1 3 371.595 0.997 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000072985270 208045966 /nfs/dbraw/zinc/04/59/66/208045966.db2.gz KYQJPDIERNVIGH-OAHLLOKOSA-N 1 3 362.474 0.976 20 0 FCADHO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000412569821 533092161 /nfs/dbraw/zinc/09/21/61/533092161.db2.gz INCYNCJKWAPMHM-QGZVFWFLSA-N 1 3 362.474 0.964 20 0 FCADHO COC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000176382114 209002974 /nfs/dbraw/zinc/00/29/74/209002974.db2.gz VUDOMUWEAOQTST-KRWDZBQOSA-N 1 3 354.495 0.602 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000180045501 209090565 /nfs/dbraw/zinc/09/05/65/209090565.db2.gz RBYQAMFHSSUPNZ-UHFFFAOYSA-N 1 3 364.494 0.936 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410505317 230109051 /nfs/dbraw/zinc/10/90/51/230109051.db2.gz UVRYSYHIRNBWSS-INIZCTEOSA-N 1 3 354.495 0.110 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C2CCC2)c1 ZINC000933652723 674266585 /nfs/dbraw/zinc/26/65/85/674266585.db2.gz ZOKDLAYXCLGOOM-UHFFFAOYSA-N 1 3 350.467 0.498 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000480073091 484100013 /nfs/dbraw/zinc/10/00/13/484100013.db2.gz ZFNGNGPSZHRPRJ-GOSISDBHSA-N 1 3 362.478 0.328 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000480073091 484100018 /nfs/dbraw/zinc/10/00/18/484100018.db2.gz ZFNGNGPSZHRPRJ-GOSISDBHSA-N 1 3 362.478 0.328 20 0 FCADHO C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000515410804 484152167 /nfs/dbraw/zinc/15/21/67/484152167.db2.gz QTMLLDAOOSMPGA-AWEZNQCLSA-N 1 3 362.478 0.546 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000538089088 484206287 /nfs/dbraw/zinc/20/62/87/484206287.db2.gz XCMWYJISFCPYJW-UHFFFAOYSA-N 1 3 350.467 0.372 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000303921606 488892790 /nfs/dbraw/zinc/89/27/90/488892790.db2.gz OTJCVRARSNBJCL-CRAIPNDOSA-N 1 3 363.506 0.940 20 0 FCADHO COCCN1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050799031 488114404 /nfs/dbraw/zinc/11/44/04/488114404.db2.gz YJGKEKNGWBOELU-HNNXBMFYSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000288272606 488963988 /nfs/dbraw/zinc/96/39/88/488963988.db2.gz UVEPCHBXRMIBCD-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000288272606 488963991 /nfs/dbraw/zinc/96/39/91/488963991.db2.gz UVEPCHBXRMIBCD-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO C[C@H](CNC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000073586405 488385049 /nfs/dbraw/zinc/38/50/49/488385049.db2.gz QQDBCEDPBHRCCC-KZNAEPCWSA-N 1 3 369.554 0.668 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864123 488394530 /nfs/dbraw/zinc/39/45/30/488394530.db2.gz WYKVGZZAJFPHHV-HNNXBMFYSA-N 1 3 364.498 0.566 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnnn1C1CC1 ZINC000074864123 488394531 /nfs/dbraw/zinc/39/45/31/488394531.db2.gz WYKVGZZAJFPHHV-HNNXBMFYSA-N 1 3 364.498 0.566 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CNCCO3)c2)C1 ZINC000269256385 488483376 /nfs/dbraw/zinc/48/33/76/488483376.db2.gz JZOGMTKJCQJWKF-ZWKOTPCHSA-N 1 3 374.485 0.379 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CNCCO3)c2)C1 ZINC000269256385 488483380 /nfs/dbraw/zinc/48/33/80/488483380.db2.gz JZOGMTKJCQJWKF-ZWKOTPCHSA-N 1 3 374.485 0.379 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000247598288 488488639 /nfs/dbraw/zinc/48/86/39/488488639.db2.gz KPBZGWXXHCLBOX-JKSUJKDBSA-N 1 3 368.522 0.090 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000101764849 488496249 /nfs/dbraw/zinc/49/62/49/488496249.db2.gz WTUZPSKKUWIBQK-MRXNPFEDSA-N 1 3 353.511 0.714 20 0 FCADHO C[C@@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCCC1 ZINC000102048626 488497223 /nfs/dbraw/zinc/49/72/23/488497223.db2.gz BLEYWHKRGNIVCE-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102050405 488497241 /nfs/dbraw/zinc/49/72/41/488497241.db2.gz MLRNLLGNARAXQT-QGZVFWFLSA-N 1 3 365.522 0.855 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049266 488497534 /nfs/dbraw/zinc/49/75/34/488497534.db2.gz WBPPURCXGMENPL-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000102049266 488497536 /nfs/dbraw/zinc/49/75/36/488497536.db2.gz WBPPURCXGMENPL-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H]1Oc2ccccc2N(CC(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000103210811 488499947 /nfs/dbraw/zinc/49/99/47/488499947.db2.gz IXCOMDRNFOPXLN-HNNXBMFYSA-N 1 3 362.474 0.752 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000103212899 488500603 /nfs/dbraw/zinc/50/06/03/488500603.db2.gz ZPMZTBTVMZWWQQ-UHFFFAOYSA-N 1 3 357.458 0.798 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000103306745 488500930 /nfs/dbraw/zinc/50/09/30/488500930.db2.gz MJCHCJJJOVOKSA-INIZCTEOSA-N 1 3 363.506 0.420 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000103306745 488500932 /nfs/dbraw/zinc/50/09/32/488500932.db2.gz MJCHCJJJOVOKSA-INIZCTEOSA-N 1 3 363.506 0.420 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103614542 488503152 /nfs/dbraw/zinc/50/31/52/488503152.db2.gz OADFRLYMWIRXQW-QGZVFWFLSA-N 1 3 367.538 0.912 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000103605534 488503261 /nfs/dbraw/zinc/50/32/61/488503261.db2.gz XMAKJACYFHECAU-MRXNPFEDSA-N 1 3 365.522 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000103605534 488503263 /nfs/dbraw/zinc/50/32/63/488503263.db2.gz XMAKJACYFHECAU-MRXNPFEDSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105223186 488508442 /nfs/dbraw/zinc/50/84/42/488508442.db2.gz MGCLHJUCZBEZOG-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108570863 488520276 /nfs/dbraw/zinc/52/02/76/488520276.db2.gz CGLYRPCBHZHFQE-JKSUJKDBSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108570863 488520277 /nfs/dbraw/zinc/52/02/77/488520277.db2.gz CGLYRPCBHZHFQE-JKSUJKDBSA-N 1 3 353.511 0.570 20 0 FCADHO CCN1CCN([C@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562999 488540992 /nfs/dbraw/zinc/54/09/92/488540992.db2.gz XZVYEDWPWGBSCS-IBGZPJMESA-N 1 3 365.566 0.687 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573284 488602435 /nfs/dbraw/zinc/60/24/35/488602435.db2.gz VNYXIIVCTXJPKO-INIZCTEOSA-N 1 3 374.489 0.371 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573284 488602437 /nfs/dbraw/zinc/60/24/37/488602437.db2.gz VNYXIIVCTXJPKO-INIZCTEOSA-N 1 3 374.489 0.371 20 0 FCADHO COCc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130581038 488638494 /nfs/dbraw/zinc/63/84/94/488638494.db2.gz NTANYDNYNPBHSW-UHFFFAOYSA-N 1 3 350.463 0.723 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000130573249 488638752 /nfs/dbraw/zinc/63/87/52/488638752.db2.gz NQRIFABJEQBEBB-UHFFFAOYSA-N 1 3 372.473 0.763 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000136331682 488677251 /nfs/dbraw/zinc/67/72/51/488677251.db2.gz FZIMAONYLVVNAZ-KRWDZBQOSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[N@H+](C)C1CC1 ZINC000138949952 488683158 /nfs/dbraw/zinc/68/31/58/488683158.db2.gz OAIRQSULTFEVIA-HOCLYGCPSA-N 1 3 351.495 0.417 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[N@@H+](C)C1CC1 ZINC000138949952 488683160 /nfs/dbraw/zinc/68/31/60/488683160.db2.gz OAIRQSULTFEVIA-HOCLYGCPSA-N 1 3 351.495 0.417 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000153158310 488727660 /nfs/dbraw/zinc/72/76/60/488727660.db2.gz KOMNZDYZQUDTLZ-AWEZNQCLSA-N 1 3 366.510 0.866 20 0 FCADHO [NH3+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)Cc2ccccc2C1 ZINC000167408374 488812216 /nfs/dbraw/zinc/81/22/16/488812216.db2.gz VBBJWBSNRJSUJS-UHFFFAOYSA-N 1 3 356.470 0.249 20 0 FCADHO C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167410510 488812239 /nfs/dbraw/zinc/81/22/39/488812239.db2.gz CROWUYSIROGSED-DLBZAZTESA-N 1 3 350.507 0.779 20 0 FCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000172307306 488832440 /nfs/dbraw/zinc/83/24/40/488832440.db2.gz JAGWPVLCXNGOLB-UHFFFAOYSA-N 1 3 361.490 0.835 20 0 FCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000172307306 488832441 /nfs/dbraw/zinc/83/24/41/488832441.db2.gz JAGWPVLCXNGOLB-UHFFFAOYSA-N 1 3 361.490 0.835 20 0 FCADHO C[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000174292321 488848286 /nfs/dbraw/zinc/84/82/86/488848286.db2.gz NUABXLTUTJFOMJ-ZWKOTPCHSA-N 1 3 351.539 0.997 20 0 FCADHO C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000174292336 488848310 /nfs/dbraw/zinc/84/83/10/488848310.db2.gz NUABXLTUTJFOMJ-QZTJIDSGSA-N 1 3 351.539 0.997 20 0 FCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000178648930 488860540 /nfs/dbraw/zinc/86/05/40/488860540.db2.gz AMERXVAPXHQJHH-MRXNPFEDSA-N 1 3 353.463 0.547 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289301198 489056809 /nfs/dbraw/zinc/05/68/09/489056809.db2.gz SCLMEXBFVJPLLH-HXUWFJFHSA-N 1 3 371.529 0.705 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331379897 489203530 /nfs/dbraw/zinc/20/35/30/489203530.db2.gz GECSJXAQINVJIS-NNXHMXCWSA-N 1 3 350.507 0.537 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331379895 489203661 /nfs/dbraw/zinc/20/36/61/489203661.db2.gz GECSJXAQINVJIS-BQJWPVKWSA-N 1 3 350.507 0.537 20 0 FCADHO COCCN(CCN(C)C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369684521 489263518 /nfs/dbraw/zinc/26/35/18/489263518.db2.gz VPVUIKSCQSPOKU-UHFFFAOYSA-N 1 3 352.483 1.192 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633701 489283674 /nfs/dbraw/zinc/28/36/74/489283674.db2.gz PDCASKXHWBBMMD-CQSZACIVSA-N 1 3 359.478 0.851 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633701 489283678 /nfs/dbraw/zinc/28/36/78/489283678.db2.gz PDCASKXHWBBMMD-CQSZACIVSA-N 1 3 359.478 0.851 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000563459821 491249442 /nfs/dbraw/zinc/24/94/42/491249442.db2.gz ZHKHEPSEJJQXJM-QZTJIDSGSA-N 1 3 358.486 0.615 20 0 FCADHO COC[C@H](C)OC[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000370516294 489369821 /nfs/dbraw/zinc/36/98/21/489369821.db2.gz AIDBIOBKPCLJJC-ZWKOTPCHSA-N 1 3 357.539 0.748 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000570598715 491252760 /nfs/dbraw/zinc/25/27/60/491252760.db2.gz DRPZCQDFGKBATR-UHFFFAOYSA-N 1 3 367.519 0.589 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363184789 489435100 /nfs/dbraw/zinc/43/51/00/489435100.db2.gz HMPORJDCYUGABY-HUUCEWRRSA-N 1 3 355.479 0.487 20 0 FCADHO CC(C)N(C)CC1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000570684969 491258126 /nfs/dbraw/zinc/25/81/26/491258126.db2.gz MVPDRFAWTKWPBY-UHFFFAOYSA-N 1 3 359.536 0.732 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423105308 489493481 /nfs/dbraw/zinc/49/34/81/489493481.db2.gz YZEPSOAXUSUWMP-IBGZPJMESA-N 1 3 364.465 0.913 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423128125 489495732 /nfs/dbraw/zinc/49/57/32/489495732.db2.gz KEXDFZIKHLPPPB-MRXNPFEDSA-N 1 3 356.511 0.389 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000423158838 489497963 /nfs/dbraw/zinc/49/79/63/489497963.db2.gz DOBDISASQDWEKE-HZPDHXFCSA-N 1 3 362.474 0.546 20 0 FCADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423158711 489498401 /nfs/dbraw/zinc/49/84/01/489498401.db2.gz XBESRCXZBWYJLB-QZTJIDSGSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000423166495 489498926 /nfs/dbraw/zinc/49/89/26/489498926.db2.gz CWBFFXQOKGHXDR-UHFFFAOYSA-N 1 3 364.490 0.936 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000423168422 489499056 /nfs/dbraw/zinc/49/90/56/489499056.db2.gz HIYMXHKWMQOJQN-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423273124 489509974 /nfs/dbraw/zinc/50/99/74/489509974.db2.gz ZWMFKSVVJNIEKG-GVDBMIGSSA-N 1 3 368.522 0.389 20 0 FCADHO Cc1cc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000415390508 489516735 /nfs/dbraw/zinc/51/67/35/489516735.db2.gz GLSMVAPXLKUBBD-HNNXBMFYSA-N 1 3 362.474 0.990 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c2)CC1 ZINC000415410583 489517702 /nfs/dbraw/zinc/51/77/02/489517702.db2.gz AANVZKKAVBSDTL-OAHLLOKOSA-N 1 3 361.490 0.961 20 0 FCADHO CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000563638015 491260183 /nfs/dbraw/zinc/26/01/83/491260183.db2.gz QXIFQVICXHBJTF-YVSFHVDLSA-N 1 3 357.458 0.385 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000415472514 489523884 /nfs/dbraw/zinc/52/38/84/489523884.db2.gz XJAPYRZOWMKTHT-UHFFFAOYSA-N 1 3 361.490 0.616 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000415515257 489526091 /nfs/dbraw/zinc/52/60/91/489526091.db2.gz HTANMDDMTZBQRU-HNNXBMFYSA-N 1 3 361.490 0.474 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949406 489527557 /nfs/dbraw/zinc/52/75/57/489527557.db2.gz VHDJDTCOOLPUBQ-QZTJIDSGSA-N 1 3 367.538 0.517 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(C)c2)CC1 ZINC000415546697 489528556 /nfs/dbraw/zinc/52/85/56/489528556.db2.gz BKAKNUGCUCIXJD-OAHLLOKOSA-N 1 3 361.490 0.929 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c(OCCN(C)C)c1 ZINC000415593950 489533976 /nfs/dbraw/zinc/53/39/76/489533976.db2.gz FUFZHFUYFLQHFD-AWEZNQCLSA-N 1 3 364.446 0.060 20 0 FCADHO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415602387 489535914 /nfs/dbraw/zinc/53/59/14/489535914.db2.gz RODAQEPBJKIXGO-CYBMUJFWSA-N 1 3 350.488 0.680 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCCN(C)C ZINC000415668247 489540041 /nfs/dbraw/zinc/54/00/41/489540041.db2.gz CELGLJWMIAKTHW-GASCZTMLSA-N 1 3 360.458 0.552 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1F ZINC000415788524 489553161 /nfs/dbraw/zinc/55/31/61/489553161.db2.gz LRVCXKHZRMQCJQ-UHFFFAOYSA-N 1 3 352.410 0.653 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(OCCN(C)C)c1 ZINC000415901205 489564894 /nfs/dbraw/zinc/56/48/94/489564894.db2.gz WZHDVESFVWMAEN-JKSUJKDBSA-N 1 3 374.485 0.942 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007256 489567334 /nfs/dbraw/zinc/56/73/34/489567334.db2.gz MLCFDHKYNLWMLL-NWDGAFQWSA-N 1 3 365.400 0.214 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000555668010 491263757 /nfs/dbraw/zinc/26/37/57/491263757.db2.gz QKAXQSCRLKCHNT-UHFFFAOYSA-N 1 3 354.495 0.202 20 0 FCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000563697733 491263948 /nfs/dbraw/zinc/26/39/48/491263948.db2.gz QVKLIQFNVVNUIX-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000563697733 491263951 /nfs/dbraw/zinc/26/39/51/491263951.db2.gz QVKLIQFNVVNUIX-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1)C(C)C ZINC000427082187 489594075 /nfs/dbraw/zinc/59/40/75/489594075.db2.gz VWEOPYCZVWVWCQ-UHFFFAOYSA-N 1 3 364.494 0.935 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1)C(C)C ZINC000427082187 489594079 /nfs/dbraw/zinc/59/40/79/489594079.db2.gz VWEOPYCZVWVWCQ-UHFFFAOYSA-N 1 3 364.494 0.935 20 0 FCADHO CN(C)CCN(C)C(=O)C(C)(C)OC(C)(C)C(=O)N(C)CC[NH+](C)C ZINC000455855935 489601463 /nfs/dbraw/zinc/60/14/63/489601463.db2.gz ZRCKOEVMQNRAHG-UHFFFAOYSA-N 1 3 358.527 0.600 20 0 FCADHO CC(C)(CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000416820292 489630547 /nfs/dbraw/zinc/63/05/47/489630547.db2.gz CHTOSLQNBMFZGM-HNNXBMFYSA-N 1 3 353.511 0.747 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000416979704 489637207 /nfs/dbraw/zinc/63/72/07/489637207.db2.gz XGRQYEWKRVNKSQ-UHFFFAOYSA-N 1 3 363.506 0.722 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000416974525 489637302 /nfs/dbraw/zinc/63/73/02/489637302.db2.gz LTBKYOFYVFBDDV-QGZVFWFLSA-N 1 3 350.463 0.886 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000416974524 489637546 /nfs/dbraw/zinc/63/75/46/489637546.db2.gz LTBKYOFYVFBDDV-KRWDZBQOSA-N 1 3 350.463 0.886 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417323622 489648964 /nfs/dbraw/zinc/64/89/64/489648964.db2.gz HAADHLVSWBRHOX-BZUAXINKSA-N 1 3 353.511 0.603 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417363585 489649507 /nfs/dbraw/zinc/64/95/07/489649507.db2.gz GAERHWZICGDZEE-SFHVURJKSA-N 1 3 360.506 0.987 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417389945 489651188 /nfs/dbraw/zinc/65/11/88/489651188.db2.gz QBFGTTDQMMUGOT-FQEVSTJZSA-N 1 3 372.517 0.989 20 0 FCADHO CCC[C@@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418873 489651687 /nfs/dbraw/zinc/65/16/87/489651687.db2.gz BZVVFVIMKPMCAR-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[C@@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000417418873 489651690 /nfs/dbraw/zinc/65/16/90/489651690.db2.gz BZVVFVIMKPMCAR-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417425990 489651763 /nfs/dbraw/zinc/65/17/63/489651763.db2.gz FNWNZTRKNSXSBO-HZMVEIRTSA-N 1 3 365.522 0.616 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000417435421 489653626 /nfs/dbraw/zinc/65/36/26/489653626.db2.gz YODFDOJKDHMHHU-BZUAXINKSA-N 1 3 353.511 0.555 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000417433073 489653719 /nfs/dbraw/zinc/65/37/19/489653719.db2.gz UWSUKCIHBPNQGV-NXOAAHMSSA-N 1 3 365.522 0.698 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000417478287 489655853 /nfs/dbraw/zinc/65/58/53/489655853.db2.gz SAAWLEJVCCVRQK-HNNXBMFYSA-N 1 3 361.490 0.777 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000417502728 489656417 /nfs/dbraw/zinc/65/64/17/489656417.db2.gz BUPUFSJUQOHZMC-KRWDZBQOSA-N 1 3 350.463 0.539 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417558205 489658013 /nfs/dbraw/zinc/65/80/13/489658013.db2.gz DTUDCHCSTVQYSB-UHFFFAOYSA-N 1 3 353.511 0.890 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C1CC1 ZINC000417550473 489658175 /nfs/dbraw/zinc/65/81/75/489658175.db2.gz LKJKGYHBTQTEFO-INMHGKMJSA-N 1 3 365.522 0.759 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418104230 489678383 /nfs/dbraw/zinc/67/83/83/489678383.db2.gz XHZPDIQEXIZRCA-CABCVRRESA-N 1 3 353.511 0.603 20 0 FCADHO COCC1(CNC(=O)NCCCN2CCCO[C@H](C)C2)CC[NH2+]CC1 ZINC000418120228 489679276 /nfs/dbraw/zinc/67/92/76/489679276.db2.gz VSKBXXJMVXEPSS-MRXNPFEDSA-N 1 3 356.511 0.803 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265574 489683397 /nfs/dbraw/zinc/68/33/97/489683397.db2.gz VFHHJWDGVNDFCT-OAHLLOKOSA-N 1 3 362.478 0.689 20 0 FCADHO COc1ccc([C@H](CN(C)C)NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418304179 489690156 /nfs/dbraw/zinc/69/01/56/489690156.db2.gz XJHUSNMPDSOTTN-SFHVURJKSA-N 1 3 363.506 0.892 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418398352 489695465 /nfs/dbraw/zinc/69/54/65/489695465.db2.gz CRLPWJDHHAYKMT-JKSUJKDBSA-N 1 3 353.511 0.700 20 0 FCADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418414358 489697517 /nfs/dbraw/zinc/69/75/17/489697517.db2.gz RQDBIVMORHWJTR-CVEARBPZSA-N 1 3 353.511 0.795 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1=CC[NH2+]CC1 ZINC000418543677 489705786 /nfs/dbraw/zinc/70/57/86/489705786.db2.gz SVLTXLNAZUIHMS-SFHVURJKSA-N 1 3 373.501 0.494 20 0 FCADHO COCC1(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000418642715 489714370 /nfs/dbraw/zinc/71/43/70/489714370.db2.gz RZFIAUTXAPRXCL-INIZCTEOSA-N 1 3 356.511 0.395 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1)[C@@H]1CCC[NH2+]1 ZINC000570923984 491273749 /nfs/dbraw/zinc/27/37/49/491273749.db2.gz PLDLAVDFMMAABR-SNRMKQJTSA-N 1 3 370.497 0.980 20 0 FCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418746291 489721076 /nfs/dbraw/zinc/72/10/76/489721076.db2.gz XFMMKDIMAYLIJK-SFYZZRBRSA-N 1 3 365.522 0.794 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418757080 489723387 /nfs/dbraw/zinc/72/33/87/489723387.db2.gz HJLKUXKWTMYLOZ-INIZCTEOSA-N 1 3 351.470 0.803 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418762321 489723873 /nfs/dbraw/zinc/72/38/73/489723873.db2.gz LTOQCNPPFMGFDR-OAHLLOKOSA-N 1 3 369.460 0.942 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](CN)C1 ZINC000418819683 489737047 /nfs/dbraw/zinc/73/70/47/489737047.db2.gz KDTVOJPPXZMGNT-CABCVRRESA-N 1 3 354.495 0.189 20 0 FCADHO C[N@H+](C[C@@H](O)CNCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956199 491276171 /nfs/dbraw/zinc/27/61/71/491276171.db2.gz XQGBFGCKBHFJKS-KRWDZBQOSA-N 1 3 361.490 0.165 20 0 FCADHO C[N@@H+](C[C@@H](O)CNCCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956199 491276172 /nfs/dbraw/zinc/27/61/72/491276172.db2.gz XQGBFGCKBHFJKS-KRWDZBQOSA-N 1 3 361.490 0.165 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838031 489748959 /nfs/dbraw/zinc/74/89/59/489748959.db2.gz ACQGMCLPYUOHTF-JSGCOSHPSA-N 1 3 354.495 0.595 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418847276 489754543 /nfs/dbraw/zinc/75/45/43/489754543.db2.gz HTFIEEOXPMWXAO-DLBZAZTESA-N 1 3 362.474 0.372 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000418848892 489755875 /nfs/dbraw/zinc/75/58/75/489755875.db2.gz LVRMAYKQILSTPM-PXNSSMCTSA-N 1 3 358.486 0.488 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853985 489758480 /nfs/dbraw/zinc/75/84/80/489758480.db2.gz SURFJYLLESOEPP-QZTJIDSGSA-N 1 3 360.502 0.781 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853989 489758512 /nfs/dbraw/zinc/75/85/12/489758512.db2.gz SURFJYLLESOEPP-ZWKOTPCHSA-N 1 3 360.502 0.781 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000418857101 489760105 /nfs/dbraw/zinc/76/01/05/489760105.db2.gz YCULTNPKVAJECQ-RYQLBKOJSA-N 1 3 360.502 0.780 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418865120 489764589 /nfs/dbraw/zinc/76/45/89/489764589.db2.gz LRLVVONVQWRPAT-XHSDSOJGSA-N 1 3 350.507 0.824 20 0 FCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)N[C@@H](CN)C3CC3)CC2)CC1 ZINC000418873920 489768744 /nfs/dbraw/zinc/76/87/44/489768744.db2.gz YPPXJCUNJBUNQN-JCYILVPMSA-N 1 3 350.507 0.999 20 0 FCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418881647 489772977 /nfs/dbraw/zinc/77/29/77/489772977.db2.gz XSXAFXYKDVYDMW-ZWKOTPCHSA-N 1 3 360.502 0.781 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883636 489774307 /nfs/dbraw/zinc/77/43/07/489774307.db2.gz VLBFRVVBSRLBLJ-NVXWUHKLSA-N 1 3 368.522 0.627 20 0 FCADHO C[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430948764 489781241 /nfs/dbraw/zinc/78/12/41/489781241.db2.gz LHEVZNKJSUOUIF-OAHLLOKOSA-N 1 3 362.474 0.884 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000418913170 489787867 /nfs/dbraw/zinc/78/78/67/489787867.db2.gz NTSKQOZZRMQRAC-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](CN)C1 ZINC000418921421 489792477 /nfs/dbraw/zinc/79/24/77/489792477.db2.gz JJSZWMLKHBWLPY-GGXPGOJBSA-N 1 3 368.522 0.578 20 0 FCADHO CCN1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000459924760 489795310 /nfs/dbraw/zinc/79/53/10/489795310.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO CCN1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000459924760 489795313 /nfs/dbraw/zinc/79/53/13/489795313.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO CCN1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000459924760 489795319 /nfs/dbraw/zinc/79/53/19/489795319.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO C[C@@H](NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C1=CCN(C)CC1 ZINC000431463181 489805991 /nfs/dbraw/zinc/80/59/91/489805991.db2.gz GJRYAEWZIIZCAX-MRXNPFEDSA-N 1 3 365.522 0.928 20 0 FCADHO [NH3+]C1CCN(C(=O)C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000418965413 489806345 /nfs/dbraw/zinc/80/63/45/489806345.db2.gz OVRGYUZDDSWVOF-UHFFFAOYSA-N 1 3 374.485 0.727 20 0 FCADHO CN(CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000419003654 489814500 /nfs/dbraw/zinc/81/45/00/489814500.db2.gz QQSVDVMTLQIPOQ-QZTJIDSGSA-N 1 3 358.486 0.693 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017982 489819649 /nfs/dbraw/zinc/81/96/49/489819649.db2.gz BHSZMFPBYBNCPS-BZUAXINKSA-N 1 3 350.507 0.895 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)[C@@H](C)C1 ZINC000419043226 489831325 /nfs/dbraw/zinc/83/13/25/489831325.db2.gz QVCVLURFKPFUOE-BBWFWOEESA-N 1 3 368.522 0.579 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)[C@@H](C)C1 ZINC000419043226 489831327 /nfs/dbraw/zinc/83/13/27/489831327.db2.gz QVCVLURFKPFUOE-BBWFWOEESA-N 1 3 368.522 0.579 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000460055263 489835760 /nfs/dbraw/zinc/83/57/60/489835760.db2.gz FXWYALPCZIOSNZ-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000460055263 489835763 /nfs/dbraw/zinc/83/57/63/489835763.db2.gz FXWYALPCZIOSNZ-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)NCCN1CCCCCC1 ZINC000432431867 489842181 /nfs/dbraw/zinc/84/21/81/489842181.db2.gz FHHAYESQAFRTDN-IRXDYDNUSA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)NCCN1CCCCCC1 ZINC000432431867 489842186 /nfs/dbraw/zinc/84/21/86/489842186.db2.gz FHHAYESQAFRTDN-IRXDYDNUSA-N 1 3 365.522 0.905 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419118028 489863554 /nfs/dbraw/zinc/86/35/54/489863554.db2.gz NIMLADNECRCCSR-DZGCQCFKSA-N 1 3 354.495 0.452 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419999654 489877587 /nfs/dbraw/zinc/87/75/87/489877587.db2.gz OOZOTUPSEAHSNY-INIZCTEOSA-N 1 3 352.454 0.815 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420012956 489880946 /nfs/dbraw/zinc/88/09/46/489880946.db2.gz JKEVYAZGUMLWSF-UXLLHSPISA-N 1 3 368.522 0.434 20 0 FCADHO C[C@H]1CN(CCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420012 489882467 /nfs/dbraw/zinc/88/24/67/489882467.db2.gz ILQLPKDNXZBLAU-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420025337 489883869 /nfs/dbraw/zinc/88/38/69/489883869.db2.gz BKAUGFKKEYIYHT-RRFJBIMHSA-N 1 3 352.479 0.302 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCCO1 ZINC000433449840 489884370 /nfs/dbraw/zinc/88/43/70/489884370.db2.gz JGTQKLCKQIBBGB-QGZVFWFLSA-N 1 3 370.538 0.976 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCO1 ZINC000433449840 489884374 /nfs/dbraw/zinc/88/43/74/489884374.db2.gz JGTQKLCKQIBBGB-QGZVFWFLSA-N 1 3 370.538 0.976 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030660 489887016 /nfs/dbraw/zinc/88/70/16/489887016.db2.gz GPWDWFKXPXHSTG-APIJFGDWSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030660 489887021 /nfs/dbraw/zinc/88/70/21/489887021.db2.gz GPWDWFKXPXHSTG-APIJFGDWSA-N 1 3 354.495 0.452 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@H]1C ZINC000420047034 489892837 /nfs/dbraw/zinc/89/28/37/489892837.db2.gz VWHQYEQZHBQIIZ-QPSCCSFWSA-N 1 3 354.495 0.547 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@H]1C ZINC000420047034 489892839 /nfs/dbraw/zinc/89/28/39/489892839.db2.gz VWHQYEQZHBQIIZ-QPSCCSFWSA-N 1 3 354.495 0.547 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062009 489899328 /nfs/dbraw/zinc/89/93/28/489899328.db2.gz MJAALQOMKDVYEQ-UKRRQHHQSA-N 1 3 354.495 0.406 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420070672 489903114 /nfs/dbraw/zinc/90/31/14/489903114.db2.gz WXAAFADIDOTPKH-MRXNPFEDSA-N 1 3 368.428 0.709 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420075457 489904583 /nfs/dbraw/zinc/90/45/83/489904583.db2.gz SMRVJANHNWNPQF-DOTOQJQBSA-N 1 3 350.507 0.810 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420075457 489904588 /nfs/dbraw/zinc/90/45/88/489904588.db2.gz SMRVJANHNWNPQF-DOTOQJQBSA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420092482 489909443 /nfs/dbraw/zinc/90/94/43/489909443.db2.gz GDGJENIMAHIXSK-YJBOKZPZSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097734 489910962 /nfs/dbraw/zinc/91/09/62/489910962.db2.gz AJZFFRZNUVKEBU-YOEHRIQHSA-N 1 3 364.465 0.973 20 0 FCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000476740377 489912832 /nfs/dbraw/zinc/91/28/32/489912832.db2.gz BHJCKHCRWUKMRO-CYBMUJFWSA-N 1 3 352.483 0.666 20 0 FCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420108245 489914779 /nfs/dbraw/zinc/91/47/79/489914779.db2.gz XAQFVJDELPLFKZ-GOSISDBHSA-N 1 3 356.470 0.993 20 0 FCADHO C[C@]1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000420112028 489916766 /nfs/dbraw/zinc/91/67/66/489916766.db2.gz XIRDKYSEDYFOPQ-LPHOPBHVSA-N 1 3 350.507 0.969 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000377576804 489923895 /nfs/dbraw/zinc/92/38/95/489923895.db2.gz GFNBHXZDOODTID-SJORKVTESA-N 1 3 354.495 0.650 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143754 489929138 /nfs/dbraw/zinc/92/91/38/489929138.db2.gz YPJCACREWTXPIP-UHFFFAOYSA-N 1 3 362.449 0.752 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171943 489939701 /nfs/dbraw/zinc/93/97/01/489939701.db2.gz USENZCZYJPPIBR-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1C[C@H](O)CN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420202809 489950491 /nfs/dbraw/zinc/95/04/91/489950491.db2.gz JWDMSBQJCMSJEW-WBVHZDCISA-N 1 3 374.485 0.078 20 0 FCADHO NC1(CNC(=O)C(=O)N2CCCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420211647 489954017 /nfs/dbraw/zinc/95/40/17/489954017.db2.gz WLTVZSSKLLFPLP-UHFFFAOYSA-N 1 3 374.485 0.345 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420215129 489954830 /nfs/dbraw/zinc/95/48/30/489954830.db2.gz RWHACKOJGMQHKV-YESZJQIVSA-N 1 3 368.522 0.308 20 0 FCADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000420310272 489961294 /nfs/dbraw/zinc/96/12/94/489961294.db2.gz FSFSWRWFEUHHND-SFHVURJKSA-N 1 3 360.502 0.978 20 0 FCADHO O=C(CC[NH+]1CCC(CCCN2CCOCC2)CC1)N1CCNCC1 ZINC000420365907 489968984 /nfs/dbraw/zinc/96/89/84/489968984.db2.gz SYXILWCVEWXRQP-UHFFFAOYSA-N 1 3 352.523 0.633 20 0 FCADHO C[C@H]1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420406304 489972481 /nfs/dbraw/zinc/97/24/81/489972481.db2.gz NMSUCMFCZCPYFY-QWHCGFSZSA-N 1 3 354.476 0.579 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420434704 489975391 /nfs/dbraw/zinc/97/53/91/489975391.db2.gz KWISSGFVVACSRZ-OAHLLOKOSA-N 1 3 357.524 0.857 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000438713344 490036644 /nfs/dbraw/zinc/03/66/44/490036644.db2.gz RZDSVXRHNXRCFX-HNNXBMFYSA-N 1 3 352.483 0.659 20 0 FCADHO CC[NH+]1CCC(N2CCCN(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000420986115 490039943 /nfs/dbraw/zinc/03/99/43/490039943.db2.gz XVMSFXGPUVPDNT-UHFFFAOYSA-N 1 3 351.539 0.252 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000420986115 490039947 /nfs/dbraw/zinc/03/99/47/490039947.db2.gz XVMSFXGPUVPDNT-UHFFFAOYSA-N 1 3 351.539 0.252 20 0 FCADHO CCN1CCC([N@H+]2CCCN(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000420986115 490039953 /nfs/dbraw/zinc/03/99/53/490039953.db2.gz XVMSFXGPUVPDNT-UHFFFAOYSA-N 1 3 351.539 0.252 20 0 FCADHO CC(C)N(CCCNC(=O)CN1CCC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443057334 490066294 /nfs/dbraw/zinc/06/62/94/490066294.db2.gz GHYSOZDHKZKMFV-OAHLLOKOSA-N 1 3 362.540 0.224 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727330 490102071 /nfs/dbraw/zinc/10/20/71/490102071.db2.gz WMARJORJUTWQJS-YOEHRIQHSA-N 1 3 356.536 0.388 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727330 490102084 /nfs/dbraw/zinc/10/20/84/490102084.db2.gz WMARJORJUTWQJS-YOEHRIQHSA-N 1 3 356.536 0.388 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)CC(O)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422042256 490132510 /nfs/dbraw/zinc/13/25/10/490132510.db2.gz VSGYYVBORXKCCJ-HZPDHXFCSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)CC(O)CC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422042256 490132520 /nfs/dbraw/zinc/13/25/20/490132520.db2.gz VSGYYVBORXKCCJ-HZPDHXFCSA-N 1 3 368.522 0.233 20 0 FCADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000390958492 490140396 /nfs/dbraw/zinc/14/03/96/490140396.db2.gz XEJQYRRNXNZBLP-MRXNPFEDSA-N 1 3 358.446 0.258 20 0 FCADHO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354121 491302967 /nfs/dbraw/zinc/30/29/67/491302967.db2.gz DPBPJQUZNLPJDH-CVEARBPZSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354121 491302968 /nfs/dbraw/zinc/30/29/68/491302968.db2.gz DPBPJQUZNLPJDH-CVEARBPZSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000422126482 490178025 /nfs/dbraw/zinc/17/80/25/490178025.db2.gz WVNXXPQOFINNAS-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502799 490192151 /nfs/dbraw/zinc/19/21/51/490192151.db2.gz ITYJZFQYAVVRTE-FMKPAKJESA-N 1 3 351.495 0.356 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000466502799 490192159 /nfs/dbraw/zinc/19/21/59/490192159.db2.gz ITYJZFQYAVVRTE-FMKPAKJESA-N 1 3 351.495 0.356 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000497685983 490194858 /nfs/dbraw/zinc/19/48/58/490194858.db2.gz FHTMSHLWDOHLDV-ZACQAIPSSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000497685983 490194865 /nfs/dbraw/zinc/19/48/65/490194865.db2.gz FHTMSHLWDOHLDV-ZACQAIPSSA-N 1 3 365.522 0.665 20 0 FCADHO CC[N@H+](CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1)C(C)C ZINC000521338976 490249339 /nfs/dbraw/zinc/24/93/39/490249339.db2.gz CRMKVDUFTPVOFW-UHFFFAOYSA-N 1 3 355.527 0.959 20 0 FCADHO CC[N@@H+](CCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1)C(C)C ZINC000521338976 490249342 /nfs/dbraw/zinc/24/93/42/490249342.db2.gz CRMKVDUFTPVOFW-UHFFFAOYSA-N 1 3 355.527 0.959 20 0 FCADHO Cc1cc(F)ccc1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000571559466 491315928 /nfs/dbraw/zinc/31/59/28/491315928.db2.gz OMSFEXXDDADHGM-UHFFFAOYSA-N 1 3 366.481 0.745 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000483333297 490309462 /nfs/dbraw/zinc/30/94/62/490309462.db2.gz LLCRLLIFHUMBJI-IKGGRYGDSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H](O)C[C@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000468090418 490365307 /nfs/dbraw/zinc/36/53/07/490365307.db2.gz UTLIYHQVYRDVRJ-QAPCUYQASA-N 1 3 368.522 0.726 20 0 FCADHO CN(CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000571671063 491322105 /nfs/dbraw/zinc/32/21/05/491322105.db2.gz QAAIDGFHJDKQRS-ZWKOTPCHSA-N 1 3 356.474 0.988 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342645 490391037 /nfs/dbraw/zinc/39/10/37/490391037.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342645 490391042 /nfs/dbraw/zinc/39/10/42/490391042.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342645 490391047 /nfs/dbraw/zinc/39/10/47/490391047.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342645 490391054 /nfs/dbraw/zinc/39/10/54/490391054.db2.gz UPPCRGMVOBWUJN-DJIMGWMZSA-N 1 3 368.522 0.354 20 0 FCADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422625608 490433125 /nfs/dbraw/zinc/43/31/25/490433125.db2.gz BXFIQYAPNBTENS-RDBSUJKOSA-N 1 3 368.503 0.968 20 0 FCADHO COc1ncnc(N(C)C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000548192973 490434354 /nfs/dbraw/zinc/43/43/54/490434354.db2.gz BYVRGDDYPSCDBT-UHFFFAOYSA-N 1 3 353.471 0.508 20 0 FCADHO CC1[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000449944332 490438983 /nfs/dbraw/zinc/43/89/83/490438983.db2.gz HLQMMFMOQKKZRX-BRSBDYLESA-N 1 3 364.534 0.974 20 0 FCADHO CC1[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000449944332 490438993 /nfs/dbraw/zinc/43/89/93/490438993.db2.gz HLQMMFMOQKKZRX-BRSBDYLESA-N 1 3 364.534 0.974 20 0 FCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571745546 491326621 /nfs/dbraw/zinc/32/66/21/491326621.db2.gz ZZFJOSNXTQHTLJ-RTBURBONSA-N 1 3 357.502 0.950 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000523207878 490449981 /nfs/dbraw/zinc/44/99/81/490449981.db2.gz BWJGWVRPRHELEC-KRWDZBQOSA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000509709216 490454553 /nfs/dbraw/zinc/45/45/53/490454553.db2.gz AKTYAJHOANLONT-CVEARBPZSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000509709216 490454559 /nfs/dbraw/zinc/45/45/59/490454559.db2.gz AKTYAJHOANLONT-CVEARBPZSA-N 1 3 356.511 0.402 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]34CCC(=O)N3CCS4)CC2)CC1 ZINC000523305442 490455385 /nfs/dbraw/zinc/45/53/85/490455385.db2.gz OGMZNQZGZCLMJX-GOSISDBHSA-N 1 3 366.531 0.727 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000509831474 490468796 /nfs/dbraw/zinc/46/87/96/490468796.db2.gz CBKWCCBYCJJWGL-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000509831474 490468800 /nfs/dbraw/zinc/46/88/00/490468800.db2.gz CBKWCCBYCJJWGL-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000571787671 491329269 /nfs/dbraw/zinc/32/92/69/491329269.db2.gz QUOVENQHOGIPMI-UAHISNFZSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787671 491329270 /nfs/dbraw/zinc/32/92/70/491329270.db2.gz QUOVENQHOGIPMI-UAHISNFZSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787671 491329271 /nfs/dbraw/zinc/32/92/71/491329271.db2.gz QUOVENQHOGIPMI-UAHISNFZSA-N 1 3 368.522 0.350 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485784848 490558264 /nfs/dbraw/zinc/55/82/64/490558264.db2.gz PDEVVLXIWGEZHH-CYBMUJFWSA-N 1 3 362.478 0.159 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000564913665 491335865 /nfs/dbraw/zinc/33/58/65/491335865.db2.gz RFCZCMHOWFMBDS-GOEBONIOSA-N 1 3 364.515 0.945 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCc1nc(C)no1 ZINC000511157849 490566837 /nfs/dbraw/zinc/56/68/37/490566837.db2.gz UMRMAYSVVGDYTF-OAHLLOKOSA-N 1 3 353.467 0.769 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCc1nc(C)no1 ZINC000511157849 490566842 /nfs/dbraw/zinc/56/68/42/490566842.db2.gz UMRMAYSVVGDYTF-OAHLLOKOSA-N 1 3 353.467 0.769 20 0 FCADHO C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)C1=CC[N@H+](C)CC1 ZINC000511233367 490572264 /nfs/dbraw/zinc/57/22/64/490572264.db2.gz XQILAICNTYWSKW-KRWDZBQOSA-N 1 3 367.538 0.326 20 0 FCADHO C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)C1=CC[N@@H+](C)CC1 ZINC000511233367 490572267 /nfs/dbraw/zinc/57/22/67/490572267.db2.gz XQILAICNTYWSKW-KRWDZBQOSA-N 1 3 367.538 0.326 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589249 490619128 /nfs/dbraw/zinc/61/91/28/490619128.db2.gz ODWZRGRNOLICRE-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000525826551 490639067 /nfs/dbraw/zinc/63/90/67/490639067.db2.gz JJTBLAUZSJLKNC-HNNXBMFYSA-N 1 3 374.489 0.182 20 0 FCADHO C[NH+](C)C1(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000525823899 490639315 /nfs/dbraw/zinc/63/93/15/490639315.db2.gz XYDJSFKLOGGGGB-HXUWFJFHSA-N 1 3 361.486 0.850 20 0 FCADHO CN(C)C(=O)N1CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000556889683 491342643 /nfs/dbraw/zinc/34/26/43/491342643.db2.gz PRTWKBBOOCVXAV-UHFFFAOYSA-N 1 3 353.511 0.714 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000512415290 490680756 /nfs/dbraw/zinc/68/07/56/490680756.db2.gz MCMGCZUBKKYNRH-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)c2)CC1 ZINC000556987683 491346363 /nfs/dbraw/zinc/34/63/63/491346363.db2.gz KZMTWKXGDTWSPR-INIZCTEOSA-N 1 3 373.501 0.964 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000512666940 490691967 /nfs/dbraw/zinc/69/19/67/490691967.db2.gz MYBUTJKDLLPNHE-MSOLQXFVSA-N 1 3 367.538 0.303 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000512666940 490691970 /nfs/dbraw/zinc/69/19/70/490691970.db2.gz MYBUTJKDLLPNHE-MSOLQXFVSA-N 1 3 367.538 0.303 20 0 FCADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000565033635 491347183 /nfs/dbraw/zinc/34/71/83/491347183.db2.gz PIECVVYGKKUSHI-GOSISDBHSA-N 1 3 358.486 0.978 20 0 FCADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000527124372 490701437 /nfs/dbraw/zinc/70/14/37/490701437.db2.gz VTBZPQIACHYYBL-UHFFFAOYSA-N 1 3 354.426 0.725 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000572085346 491347861 /nfs/dbraw/zinc/34/78/61/491347861.db2.gz UYMKFVBAQUKKPW-UHFFFAOYSA-N 1 3 373.505 0.961 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000502419533 490704166 /nfs/dbraw/zinc/70/41/66/490704166.db2.gz OMPNFHCUUOJUPV-FKSLSLAPSA-N 1 3 355.523 0.642 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000502419533 490704168 /nfs/dbraw/zinc/70/41/68/490704168.db2.gz OMPNFHCUUOJUPV-FKSLSLAPSA-N 1 3 355.523 0.642 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000502777031 490721252 /nfs/dbraw/zinc/72/12/52/490721252.db2.gz KVOJFNRWFJFBJW-OAHLLOKOSA-N 1 3 353.511 0.665 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000557026241 491350213 /nfs/dbraw/zinc/35/02/13/491350213.db2.gz YTZGFUDQHJZLFL-AWEZNQCLSA-N 1 3 356.511 0.448 20 0 FCADHO N[C@@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@H]1c1ccccc1F ZINC000572161226 491353263 /nfs/dbraw/zinc/35/32/63/491353263.db2.gz BKEJGGFVQSCJAQ-DUVNUKRYSA-N 1 3 358.421 0.909 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)[C@H]3CN4CCN3CCC4)CCCC2)CC1 ZINC000488074352 490744685 /nfs/dbraw/zinc/74/46/85/490744685.db2.gz ALUMPBWPVMRKEE-GOSISDBHSA-N 1 3 364.534 0.916 20 0 FCADHO N[C@@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1c1ccccc1F ZINC000572161227 491353060 /nfs/dbraw/zinc/35/30/60/491353060.db2.gz BKEJGGFVQSCJAQ-IVMMDQJWSA-N 1 3 358.421 0.909 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@]3(O)CCN(C)C3)CC2)CC1 ZINC000565194386 491359001 /nfs/dbraw/zinc/35/90/01/491359001.db2.gz HKYQAIQFLGZJBH-LJQANCHMSA-N 1 3 352.523 0.366 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC(N3CCOC[C@@H]3C)CC2)CC1 ZINC000565168081 491357527 /nfs/dbraw/zinc/35/75/27/491357527.db2.gz BJXKHXFMKHKROB-INIZCTEOSA-N 1 3 352.523 0.772 20 0 FCADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000515310050 490817263 /nfs/dbraw/zinc/81/72/63/490817263.db2.gz LPLHDTWLAVJEOW-QZTJIDSGSA-N 1 3 363.506 0.942 20 0 FCADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000515310052 490817460 /nfs/dbraw/zinc/81/74/60/490817460.db2.gz LPLHDTWLAVJEOW-ZWKOTPCHSA-N 1 3 363.506 0.942 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC000565184925 491358534 /nfs/dbraw/zinc/35/85/34/491358534.db2.gz DVMLABDTRXWHBE-SJORKVTESA-N 1 3 366.506 0.332 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCSc1nnnn1C ZINC000505766331 490838993 /nfs/dbraw/zinc/83/89/93/490838993.db2.gz ODVFLLXTJJPUOK-CQSZACIVSA-N 1 3 369.539 0.567 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCSc1nnnn1C ZINC000505766331 490838995 /nfs/dbraw/zinc/83/89/95/490838995.db2.gz ODVFLLXTJJPUOK-CQSZACIVSA-N 1 3 369.539 0.567 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000505806193 490840254 /nfs/dbraw/zinc/84/02/54/490840254.db2.gz DGBAELHKSOPPTK-JKSUJKDBSA-N 1 3 353.511 0.652 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000505806193 490840256 /nfs/dbraw/zinc/84/02/56/490840256.db2.gz DGBAELHKSOPPTK-JKSUJKDBSA-N 1 3 353.511 0.652 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](O)C[C@H]3C(=O)OC)CC2)CC1 ZINC000516193591 490856071 /nfs/dbraw/zinc/85/60/71/490856071.db2.gz NYNRXIJBOYHQNQ-IRXDYDNUSA-N 1 3 367.490 0.318 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000516869108 490882097 /nfs/dbraw/zinc/88/20/97/490882097.db2.gz ACNAKJANKZPXFL-CQSZACIVSA-N 1 3 360.462 0.030 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSCC(=O)N1CCCCC1 ZINC000530641833 490917035 /nfs/dbraw/zinc/91/70/35/490917035.db2.gz SCGCFSLMUYZSRV-UHFFFAOYSA-N 1 3 358.552 0.684 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000518290143 490936166 /nfs/dbraw/zinc/93/61/66/490936166.db2.gz BBLXNBBNGOQTCY-MRXNPFEDSA-N 1 3 367.538 0.959 20 0 FCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000518290143 490936168 /nfs/dbraw/zinc/93/61/68/490936168.db2.gz BBLXNBBNGOQTCY-MRXNPFEDSA-N 1 3 367.538 0.959 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000518290329 490936220 /nfs/dbraw/zinc/93/62/20/490936220.db2.gz GWFUFSVNLVXCLJ-UHFFFAOYSA-N 1 3 367.538 0.912 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440906 490941496 /nfs/dbraw/zinc/94/14/96/490941496.db2.gz WJJWLHYRXRQBPF-CVEARBPZSA-N 1 3 353.511 0.747 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518440906 490941498 /nfs/dbraw/zinc/94/14/98/490941498.db2.gz WJJWLHYRXRQBPF-CVEARBPZSA-N 1 3 353.511 0.747 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252966 491365930 /nfs/dbraw/zinc/36/59/30/491365930.db2.gz FZXVTQIFIYOGPQ-HYVNUMGLSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252966 491365932 /nfs/dbraw/zinc/36/59/32/491365932.db2.gz FZXVTQIFIYOGPQ-HYVNUMGLSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CN1C1CC1 ZINC000519567629 490976993 /nfs/dbraw/zinc/97/69/93/490976993.db2.gz MEQZICNPKFBIRX-INMHGKMJSA-N 1 3 366.506 0.297 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000532264887 490990049 /nfs/dbraw/zinc/99/00/49/490990049.db2.gz ZMXJSEQJRGMULI-YESZJQIVSA-N 1 3 354.495 0.384 20 0 FCADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)C1(C)C ZINC000569719464 491185483 /nfs/dbraw/zinc/18/54/83/491185483.db2.gz BPQRCWSCNCKJOR-FRQCXROJSA-N 1 3 352.523 0.757 20 0 FCADHO Cc1nc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000569758762 491189144 /nfs/dbraw/zinc/18/91/44/491189144.db2.gz SPROWZSDQZVRPO-UHFFFAOYSA-N 1 3 369.535 0.370 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419903 491375513 /nfs/dbraw/zinc/37/55/13/491375513.db2.gz LPFGMRVZKCZGDE-YWPYICTPSA-N 1 3 366.428 0.471 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000557555021 491382495 /nfs/dbraw/zinc/38/24/95/491382495.db2.gz QSEKWEOJWVIBMO-KRWDZBQOSA-N 1 3 368.522 0.282 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000557555021 491382497 /nfs/dbraw/zinc/38/24/97/491382497.db2.gz QSEKWEOJWVIBMO-KRWDZBQOSA-N 1 3 368.522 0.282 20 0 FCADHO COc1ccc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000572621694 491382615 /nfs/dbraw/zinc/38/26/15/491382615.db2.gz LTADUGLAJWCXBO-OAHLLOKOSA-N 1 3 364.490 0.824 20 0 FCADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764344 491398288 /nfs/dbraw/zinc/39/82/88/491398288.db2.gz GEJWIGCZUOWMCB-RTBURBONSA-N 1 3 359.518 0.848 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000565769287 491398404 /nfs/dbraw/zinc/39/84/04/491398404.db2.gz YPWAPTOBFTWFNT-AWEZNQCLSA-N 1 3 352.504 0.836 20 0 FCADHO C[C@H](NC1CC1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000573114741 491413895 /nfs/dbraw/zinc/41/38/95/491413895.db2.gz NICVZAGKTQKROQ-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000566197811 491425065 /nfs/dbraw/zinc/42/50/65/491425065.db2.gz QOWUUZHDOYMKSI-MSOLQXFVSA-N 1 3 374.485 0.262 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@@H](C)O1 ZINC000566288849 491433016 /nfs/dbraw/zinc/43/30/16/491433016.db2.gz NCURUQFPUVKXFR-BZUAXINKSA-N 1 3 364.494 0.649 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000559416724 491471052 /nfs/dbraw/zinc/47/10/52/491471052.db2.gz SPKGIHPSBVGYAP-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398047 491493556 /nfs/dbraw/zinc/49/35/56/491493556.db2.gz ZJHXEBRFBQGVCR-CVEARBPZSA-N 1 3 363.510 0.034 20 0 FCADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000567345766 491500609 /nfs/dbraw/zinc/50/06/09/491500609.db2.gz SXLBNYLPKPLDHO-MRXNPFEDSA-N 1 3 374.485 0.259 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567356390 491501467 /nfs/dbraw/zinc/50/14/67/491501467.db2.gz JRQLGPMIUZDUGO-PKOBYXMFSA-N 1 3 352.523 0.805 20 0 FCADHO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCOCC[NH3+])C2)cc1 ZINC000567897457 491539408 /nfs/dbraw/zinc/53/94/08/491539408.db2.gz PBDFZYLBCFANDD-INIZCTEOSA-N 1 3 355.504 0.961 20 0 FCADHO CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000575234086 491546725 /nfs/dbraw/zinc/54/67/25/491546725.db2.gz LRCRZDGNSRJPSX-KRWDZBQOSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568059268 491551186 /nfs/dbraw/zinc/55/11/86/491551186.db2.gz GAIFPZMHYZAZJW-JKSUJKDBSA-N 1 3 351.495 0.324 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568059267 491551275 /nfs/dbraw/zinc/55/12/75/491551275.db2.gz GAIFPZMHYZAZJW-HZPDHXFCSA-N 1 3 351.495 0.324 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288175 491566919 /nfs/dbraw/zinc/56/69/19/491566919.db2.gz WDONRKPTRPVHHZ-NRSFXHEJSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288175 491566921 /nfs/dbraw/zinc/56/69/21/491566921.db2.gz WDONRKPTRPVHHZ-NRSFXHEJSA-N 1 3 371.485 0.603 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000561122755 491576651 /nfs/dbraw/zinc/57/66/51/491576651.db2.gz RELNHEFYQVCXIQ-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CN(C)CCN3C)CC2)CC1 ZINC000561223848 491585958 /nfs/dbraw/zinc/58/59/58/491585958.db2.gz HFGZKIFNKCASSG-IBGZPJMESA-N 1 3 365.566 0.545 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCCN(C[C@H]3CCCO3)CC2)CC1=O ZINC000673650359 493352851 /nfs/dbraw/zinc/35/28/51/493352851.db2.gz OQJIDUYEGAZRGG-IAGOWNOFSA-N 1 3 366.506 0.110 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000561239333 491587580 /nfs/dbraw/zinc/58/75/80/491587580.db2.gz BIAUVJGCPUTBSE-UHFFFAOYSA-N 1 3 360.502 0.926 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000568608990 491590961 /nfs/dbraw/zinc/59/09/61/491590961.db2.gz RAQMIIRAPUOWNW-GOEBONIOSA-N 1 3 351.495 0.500 20 0 FCADHO CN(C)CCOc1cc(CNC(=O)c2ccn(CC[NH+](C)C)n2)ccn1 ZINC000576410421 491612522 /nfs/dbraw/zinc/61/25/22/491612522.db2.gz LAMJQOFHHJEGGM-UHFFFAOYSA-N 1 3 360.462 0.710 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCCO1 ZINC000561674744 491624113 /nfs/dbraw/zinc/62/41/13/491624113.db2.gz GFNOLQPMJIVIOP-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCCO1 ZINC000561674744 491624115 /nfs/dbraw/zinc/62/41/15/491624115.db2.gz GFNOLQPMJIVIOP-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000561685769 491625089 /nfs/dbraw/zinc/62/50/89/491625089.db2.gz FFOSZVGRUBNQDS-INIZCTEOSA-N 1 3 356.511 0.260 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569002302 491626663 /nfs/dbraw/zinc/62/66/63/491626663.db2.gz ASJHJHOKMIZYGD-XUWVNRHRSA-N 1 3 368.522 0.576 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000569025145 491628316 /nfs/dbraw/zinc/62/83/16/491628316.db2.gz BWWFBTIEHZROJA-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000577562971 491632829 /nfs/dbraw/zinc/63/28/29/491632829.db2.gz YPQHYTMRMSVGBP-WMLDXEAASA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000577672585 491641783 /nfs/dbraw/zinc/64/17/83/491641783.db2.gz XQKPTHMNPIOANN-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000577672585 491641784 /nfs/dbraw/zinc/64/17/84/491641784.db2.gz XQKPTHMNPIOANN-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569251165 491646300 /nfs/dbraw/zinc/64/63/00/491646300.db2.gz JPCGDCXKOSKXMA-HOCLYGCPSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569251165 491646303 /nfs/dbraw/zinc/64/63/03/491646303.db2.gz JPCGDCXKOSKXMA-HOCLYGCPSA-N 1 3 350.507 0.824 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849743 491650515 /nfs/dbraw/zinc/65/05/15/491650515.db2.gz DJPBWHOLFRYOLJ-XWTMOSNGSA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849743 491650518 /nfs/dbraw/zinc/65/05/18/491650518.db2.gz DJPBWHOLFRYOLJ-XWTMOSNGSA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849741 491650609 /nfs/dbraw/zinc/65/06/09/491650609.db2.gz DJPBWHOLFRYOLJ-MHORFTMASA-N 1 3 374.460 0.822 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1cccc(F)c1 ZINC000576849741 491650613 /nfs/dbraw/zinc/65/06/13/491650613.db2.gz DJPBWHOLFRYOLJ-MHORFTMASA-N 1 3 374.460 0.822 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000562103131 491653066 /nfs/dbraw/zinc/65/30/66/491653066.db2.gz JBGPNDVKPYVOCO-NQIIRXRSSA-N 1 3 374.529 0.766 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000562103132 491653260 /nfs/dbraw/zinc/65/32/60/491653260.db2.gz JBGPNDVKPYVOCO-RXVVDRJESA-N 1 3 374.529 0.766 20 0 FCADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)C(=O)NCCN(C)C)CC1 ZINC000569377213 491657329 /nfs/dbraw/zinc/65/73/29/491657329.db2.gz RJAUWNBLAGIYNK-HNNXBMFYSA-N 1 3 361.490 0.789 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cn2c(n1)SCC2 ZINC000577927137 491663144 /nfs/dbraw/zinc/66/31/44/491663144.db2.gz UYRKJBNZIHIORZ-UHFFFAOYSA-N 1 3 354.524 0.666 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542947 491679464 /nfs/dbraw/zinc/67/94/64/491679464.db2.gz IQYZHOZVKRYLDK-IRXDYDNUSA-N 1 3 350.507 0.907 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000578846205 491685659 /nfs/dbraw/zinc/68/56/59/491685659.db2.gz DRBMRCBYKVVHRP-INIZCTEOSA-N 1 3 374.485 0.480 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000579392504 491697016 /nfs/dbraw/zinc/69/70/16/491697016.db2.gz CSLMTZQDJMBMTO-IRXDYDNUSA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000579392504 491697017 /nfs/dbraw/zinc/69/70/17/491697017.db2.gz CSLMTZQDJMBMTO-IRXDYDNUSA-N 1 3 368.522 0.402 20 0 FCADHO COC[C@@]1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCC[NH2+]1 ZINC000579453021 491697999 /nfs/dbraw/zinc/69/79/99/491697999.db2.gz VKTLKUHNNCRESZ-SFHVURJKSA-N 1 3 354.495 0.509 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579736117 491704223 /nfs/dbraw/zinc/70/42/23/491704223.db2.gz XYRDCJKNLNEQJM-XFIYOXNOSA-N 1 3 351.495 0.306 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579736117 491704224 /nfs/dbraw/zinc/70/42/24/491704224.db2.gz XYRDCJKNLNEQJM-XFIYOXNOSA-N 1 3 351.495 0.306 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000579952821 491710822 /nfs/dbraw/zinc/71/08/22/491710822.db2.gz QWDONJWAUWJYGQ-GJZGRUSLSA-N 1 3 364.490 0.827 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000584828827 491716017 /nfs/dbraw/zinc/71/60/17/491716017.db2.gz CZOZIQVEKMNUQJ-UONOGXRCSA-N 1 3 363.428 0.702 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882634 491750110 /nfs/dbraw/zinc/75/01/10/491750110.db2.gz GFAJBRMXPCQVMT-MRVWCRGKSA-N 1 3 363.428 0.604 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589219133 491757682 /nfs/dbraw/zinc/75/76/82/491757682.db2.gz BRYBOQRYNJHHQT-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000581146427 491761432 /nfs/dbraw/zinc/76/14/32/491761432.db2.gz SOXMWAHHSFHDNY-MRXNPFEDSA-N 1 3 368.522 0.140 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000581146427 491761434 /nfs/dbraw/zinc/76/14/34/491761434.db2.gz SOXMWAHHSFHDNY-MRXNPFEDSA-N 1 3 368.522 0.140 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000581500304 491775375 /nfs/dbraw/zinc/77/53/75/491775375.db2.gz MXOUUOGRAIWUSN-RBUKOAKNSA-N 1 3 372.513 0.878 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000581613737 491780205 /nfs/dbraw/zinc/78/02/05/491780205.db2.gz UYLCJCLJGYUNPZ-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000581613737 491780206 /nfs/dbraw/zinc/78/02/06/491780206.db2.gz UYLCJCLJGYUNPZ-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)C2)nn1 ZINC000581883473 491788782 /nfs/dbraw/zinc/78/87/82/491788782.db2.gz IPWRIHHVIBJAJO-SFHVURJKSA-N 1 3 354.458 0.902 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000582235621 491803372 /nfs/dbraw/zinc/80/33/72/491803372.db2.gz IFSBSRRQTHRVNL-SQGPQFPESA-N 1 3 356.470 0.494 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000582235621 491803374 /nfs/dbraw/zinc/80/33/74/491803374.db2.gz IFSBSRRQTHRVNL-SQGPQFPESA-N 1 3 356.470 0.494 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CC1=O ZINC000582244170 491804138 /nfs/dbraw/zinc/80/41/38/491804138.db2.gz OCDYIVUDQYYERG-ZDUSSCGKSA-N 1 3 365.503 0.959 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000591586488 491809720 /nfs/dbraw/zinc/80/97/20/491809720.db2.gz MGCLHJUCZBEZOG-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCSC1 ZINC000582560886 491817880 /nfs/dbraw/zinc/81/78/80/491817880.db2.gz RXAPFJOJAXSCGT-KRWDZBQOSA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCSC1 ZINC000582560886 491817881 /nfs/dbraw/zinc/81/78/81/491817881.db2.gz RXAPFJOJAXSCGT-KRWDZBQOSA-N 1 3 356.536 0.531 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668501086 493365394 /nfs/dbraw/zinc/36/53/94/493365394.db2.gz IZSDVYMFAVEDDY-DOTOQJQBSA-N 1 3 366.506 0.347 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000582740279 491824789 /nfs/dbraw/zinc/82/47/89/491824789.db2.gz KDZMEEVYOTWVGY-SUMWQHHRSA-N 1 3 354.520 0.140 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000582740279 491824791 /nfs/dbraw/zinc/82/47/91/491824791.db2.gz KDZMEEVYOTWVGY-SUMWQHHRSA-N 1 3 354.520 0.140 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000582978895 491835021 /nfs/dbraw/zinc/83/50/21/491835021.db2.gz YBLYMKWPHYGJNC-QGZVFWFLSA-N 1 3 370.538 0.839 20 0 FCADHO C[NH2+]C[C@@](C)(O)CN1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000583327466 491842426 /nfs/dbraw/zinc/84/24/26/491842426.db2.gz PDBASOFEGQQACX-LJQANCHMSA-N 1 3 350.507 0.719 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)C1 ZINC000583434842 491844744 /nfs/dbraw/zinc/84/47/44/491844744.db2.gz GHNRWGJPFWTTNH-PXNSSMCTSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467619 491845515 /nfs/dbraw/zinc/84/55/15/491845515.db2.gz JLLVJOMCZZQANO-WBVHZDCISA-N 1 3 362.518 0.943 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467619 491845516 /nfs/dbraw/zinc/84/55/16/491845516.db2.gz JLLVJOMCZZQANO-WBVHZDCISA-N 1 3 362.518 0.943 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)n1 ZINC000583939448 491855087 /nfs/dbraw/zinc/85/50/87/491855087.db2.gz NQGTWJRSYNCLBR-UHFFFAOYSA-N 1 3 372.473 1.126 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008466 491856532 /nfs/dbraw/zinc/85/65/32/491856532.db2.gz SRWKCQWRFQMCQY-MAUKXSAKSA-N 1 3 370.563 0.921 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000584089435 491858281 /nfs/dbraw/zinc/85/82/81/491858281.db2.gz ANWZEKSNTAJLBL-INIZCTEOSA-N 1 3 350.507 0.907 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594988080 491875597 /nfs/dbraw/zinc/87/55/97/491875597.db2.gz CGLYRPCBHZHFQE-CVEARBPZSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594988080 491875599 /nfs/dbraw/zinc/87/55/99/491875599.db2.gz CGLYRPCBHZHFQE-CVEARBPZSA-N 1 3 353.511 0.570 20 0 FCADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)N(C)C)C(F)(F)F)[NH+](C)C ZINC000612464705 491921657 /nfs/dbraw/zinc/92/16/57/491921657.db2.gz MYXVMQCAOYVENM-WOPDTQHZSA-N 1 3 354.417 0.830 20 0 FCADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(F)(F)F)N(C)C ZINC000612464705 491921658 /nfs/dbraw/zinc/92/16/58/491921658.db2.gz MYXVMQCAOYVENM-WOPDTQHZSA-N 1 3 354.417 0.830 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546003 491931278 /nfs/dbraw/zinc/93/12/78/491931278.db2.gz OFHGNGSZQMRSIP-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546984 491932118 /nfs/dbraw/zinc/93/21/18/491932118.db2.gz XRYQXGZMUWOICU-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546984 491932120 /nfs/dbraw/zinc/93/21/20/491932120.db2.gz XRYQXGZMUWOICU-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546985 491932480 /nfs/dbraw/zinc/93/24/80/491932480.db2.gz XRYQXGZMUWOICU-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546985 491932481 /nfs/dbraw/zinc/93/24/81/491932481.db2.gz XRYQXGZMUWOICU-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(NC1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612911835 491958273 /nfs/dbraw/zinc/95/82/73/491958273.db2.gz QGZQRBVMHLJHOA-AWEZNQCLSA-N 1 3 361.494 0.460 20 0 FCADHO [NH3+][C@H](CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612914485 491958655 /nfs/dbraw/zinc/95/86/55/491958655.db2.gz FDKROKQFGWSDBV-LSDHHAIUSA-N 1 3 361.494 0.446 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC000595894682 491959959 /nfs/dbraw/zinc/95/99/59/491959959.db2.gz YLMVPKNRUNGTMS-JYJNAYRXSA-N 1 3 353.463 0.369 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000595896741 491960070 /nfs/dbraw/zinc/96/00/70/491960070.db2.gz WYCIKPJPXWRKRS-FZKCQIBNSA-N 1 3 353.463 0.369 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC12CC[NH2+]CC2)NCCN1CCCCCC1 ZINC000612982421 491960641 /nfs/dbraw/zinc/96/06/41/491960641.db2.gz JENMOSNNMGKEEA-HNNXBMFYSA-N 1 3 351.495 0.420 20 0 FCADHO CNC(=O)NC(=O)CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595906074 491961281 /nfs/dbraw/zinc/96/12/81/491961281.db2.gz WEDCCNGCJZSDOA-UHFFFAOYSA-N 1 3 362.478 0.902 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967150 492007420 /nfs/dbraw/zinc/00/74/20/492007420.db2.gz SOHBIMPCQQNSLQ-BZUAXINKSA-N 1 3 354.495 0.996 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000596967150 492007422 /nfs/dbraw/zinc/00/74/22/492007422.db2.gz SOHBIMPCQQNSLQ-BZUAXINKSA-N 1 3 354.495 0.996 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000597460185 492039824 /nfs/dbraw/zinc/03/98/24/492039824.db2.gz ISFXAQHDLMFPEC-KRWDZBQOSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000597460185 492039826 /nfs/dbraw/zinc/03/98/26/492039826.db2.gz ISFXAQHDLMFPEC-KRWDZBQOSA-N 1 3 365.522 0.713 20 0 FCADHO CCNC(=O)COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000607167671 492140087 /nfs/dbraw/zinc/14/00/87/492140087.db2.gz DMQAFMAMVYQQKS-UHFFFAOYSA-N 1 3 365.474 0.756 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659864 492233250 /nfs/dbraw/zinc/23/32/50/492233250.db2.gz GKOJIZLMEJYRQF-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659864 492233253 /nfs/dbraw/zinc/23/32/53/492233253.db2.gz GKOJIZLMEJYRQF-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659865 492233353 /nfs/dbraw/zinc/23/33/53/492233353.db2.gz GKOJIZLMEJYRQF-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659865 492233356 /nfs/dbraw/zinc/23/33/56/492233356.db2.gz GKOJIZLMEJYRQF-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)CC(=O)OC)CC2)CC1 ZINC000600454428 492271078 /nfs/dbraw/zinc/27/10/78/492271078.db2.gz HQJGADNYRRLZCM-INIZCTEOSA-N 1 3 355.479 0.223 20 0 FCADHO COCC[NH+]1CCC(NC(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000620325326 492303811 /nfs/dbraw/zinc/30/38/11/492303811.db2.gz NFFUBRDCFFQXJR-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654450172 492304999 /nfs/dbraw/zinc/30/49/99/492304999.db2.gz DCRJCZKXNPRSLO-IKGGRYGDSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000654450172 492305001 /nfs/dbraw/zinc/30/50/01/492305001.db2.gz DCRJCZKXNPRSLO-IKGGRYGDSA-N 1 3 365.522 0.890 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000642439517 492357982 /nfs/dbraw/zinc/35/79/82/492357982.db2.gz KHYJSYKKVCRUTD-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642538009 492362670 /nfs/dbraw/zinc/36/26/70/492362670.db2.gz YOTMYZHEBAXKJD-RDJZCZTQSA-N 1 3 374.485 0.454 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642733005 492383220 /nfs/dbraw/zinc/38/32/20/492383220.db2.gz PRIPEYGEECMIGF-GOSISDBHSA-N 1 3 358.486 0.809 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCSC1 ZINC000642768981 492387542 /nfs/dbraw/zinc/38/75/42/492387542.db2.gz ZZAKQFUCXKEKKK-SFHVURJKSA-N 1 3 368.547 0.532 20 0 FCADHO CN(CCCNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977762 492390302 /nfs/dbraw/zinc/39/03/02/492390302.db2.gz HFUZVWHXIJKPAV-HOTGVXAUSA-N 1 3 374.551 0.096 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976679 492390375 /nfs/dbraw/zinc/39/03/75/492390375.db2.gz RVZAHGCPERDCCS-PVAVHDDUSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642787237 492391919 /nfs/dbraw/zinc/39/19/19/492391919.db2.gz YNOJHJYCPJBMAW-SJLPKXTDSA-N 1 3 371.485 0.625 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905471 492400582 /nfs/dbraw/zinc/40/05/82/492400582.db2.gz NIRHPNIPGGJLCX-AWEZNQCLSA-N 1 3 352.504 0.897 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)N3CC(N4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000655165570 492409112 /nfs/dbraw/zinc/40/91/12/492409112.db2.gz RPXUBWCWKAPOPK-LJQANCHMSA-N 1 3 364.534 0.460 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(N4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000655165570 492409117 /nfs/dbraw/zinc/40/91/17/492409117.db2.gz RPXUBWCWKAPOPK-LJQANCHMSA-N 1 3 364.534 0.460 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642979904 492409472 /nfs/dbraw/zinc/40/94/72/492409472.db2.gz OOQRSAQGYPLXKR-MSOLQXFVSA-N 1 3 358.486 0.978 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000642982014 492410020 /nfs/dbraw/zinc/41/00/20/492410020.db2.gz NSHKIMVRLLLEPJ-SJLPKXTDSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000642982014 492410023 /nfs/dbraw/zinc/41/00/23/492410023.db2.gz NSHKIMVRLLLEPJ-SJLPKXTDSA-N 1 3 356.470 0.849 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000642984283 492411486 /nfs/dbraw/zinc/41/14/86/492411486.db2.gz BXICLCQMLURPPB-BPQIPLTHSA-N 1 3 358.486 0.976 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621838780 492422455 /nfs/dbraw/zinc/42/24/55/492422455.db2.gz JDJOICSSXUHRJX-ZRGWGRIASA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621841384 492423207 /nfs/dbraw/zinc/42/32/07/492423207.db2.gz UYZISIRUPUGUCQ-OXJNMPFZSA-N 1 3 374.485 0.583 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643419290 492454476 /nfs/dbraw/zinc/45/44/76/492454476.db2.gz HQOBHRJDUVRURX-MRXNPFEDSA-N 1 3 359.474 0.578 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643419290 492454477 /nfs/dbraw/zinc/45/44/77/492454477.db2.gz HQOBHRJDUVRURX-MRXNPFEDSA-N 1 3 359.474 0.578 20 0 FCADHO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000635526212 492464326 /nfs/dbraw/zinc/46/43/26/492464326.db2.gz IAHHZVLYPJPTPN-SJORKVTESA-N 1 3 357.462 0.996 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643490261 492479998 /nfs/dbraw/zinc/47/99/98/492479998.db2.gz IYZQEXLHRCDJDN-HZPDHXFCSA-N 1 3 356.511 0.387 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000643494317 492481587 /nfs/dbraw/zinc/48/15/87/492481587.db2.gz QIUUZQVHILCFEG-GOEBONIOSA-N 1 3 366.462 0.053 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000643503479 492483819 /nfs/dbraw/zinc/48/38/19/492483819.db2.gz DKHLBUWGRXATCV-JKSUJKDBSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CCO1 ZINC000643524297 492489783 /nfs/dbraw/zinc/48/97/83/492489783.db2.gz DWMFXAHVUOBTGQ-UKRRQHHQSA-N 1 3 368.503 0.213 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531754 492491064 /nfs/dbraw/zinc/49/10/64/492491064.db2.gz GHAMHPKMZARPDJ-QZTJIDSGSA-N 1 3 358.486 0.787 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643531850 492492312 /nfs/dbraw/zinc/49/23/12/492492312.db2.gz PRYRZVSUDGSPAK-NQIIRXRSSA-N 1 3 370.497 0.931 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000643545299 492496145 /nfs/dbraw/zinc/49/61/45/492496145.db2.gz XKTCRTDNKNHFSY-FJIDUMEYSA-N 1 3 362.518 0.920 20 0 FCADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)N1CCN(c2ncccn2)CC1 ZINC000649409022 492551286 /nfs/dbraw/zinc/55/12/86/492551286.db2.gz ZBKDTBASDVWYGO-UHFFFAOYSA-N 1 3 358.490 0.732 20 0 FCADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)N1CCN(c2ncccn2)CC1 ZINC000649409022 492551290 /nfs/dbraw/zinc/55/12/90/492551290.db2.gz ZBKDTBASDVWYGO-UHFFFAOYSA-N 1 3 358.490 0.732 20 0 FCADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)N1CCN(c2ncccn2)CC1 ZINC000649409022 492551292 /nfs/dbraw/zinc/55/12/92/492551292.db2.gz ZBKDTBASDVWYGO-UHFFFAOYSA-N 1 3 358.490 0.732 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000636282401 492575711 /nfs/dbraw/zinc/57/57/11/492575711.db2.gz KUDKEAOTRIZODK-RZFLPCETSA-N 1 3 351.491 0.950 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000636282401 492575712 /nfs/dbraw/zinc/57/57/12/492575712.db2.gz KUDKEAOTRIZODK-RZFLPCETSA-N 1 3 351.491 0.950 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355407 492610495 /nfs/dbraw/zinc/61/04/95/492610495.db2.gz KSSCCSLICIZEHL-NCOADZHNSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355407 492610500 /nfs/dbraw/zinc/61/05/00/492610500.db2.gz KSSCCSLICIZEHL-NCOADZHNSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)CC1 ZINC000643961699 492614494 /nfs/dbraw/zinc/61/44/94/492614494.db2.gz CZKXQUVCOQVVLG-KSZLIROESA-N 1 3 352.523 0.553 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699407 492643705 /nfs/dbraw/zinc/64/37/05/492643705.db2.gz LIYVWRUKVDUTII-XLIONFOSSA-N 1 3 374.485 0.884 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699407 492643707 /nfs/dbraw/zinc/64/37/07/492643707.db2.gz LIYVWRUKVDUTII-XLIONFOSSA-N 1 3 374.485 0.884 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000644194634 492665500 /nfs/dbraw/zinc/66/55/00/492665500.db2.gz UGFSKRMKFOJVAM-GOSISDBHSA-N 1 3 373.501 0.631 20 0 FCADHO Cc1nc(NCCN2CC[C@H](O)C2)c(NCC[N@@H+]2CC[C@H](O)C2)nc1C ZINC000624772673 492681780 /nfs/dbraw/zinc/68/17/80/492681780.db2.gz BWDGNTZREWLXMF-HOTGVXAUSA-N 1 3 364.494 0.050 20 0 FCADHO Cc1nc(NCCN2CC[C@H](O)C2)c(NCC[N@H+]2CC[C@H](O)C2)nc1C ZINC000624772673 492681783 /nfs/dbraw/zinc/68/17/83/492681783.db2.gz BWDGNTZREWLXMF-HOTGVXAUSA-N 1 3 364.494 0.050 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000636760840 492684535 /nfs/dbraw/zinc/68/45/35/492684535.db2.gz BPEGOANAIKYPFG-UHFFFAOYSA-N 1 3 368.522 0.730 20 0 FCADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873519 492807282 /nfs/dbraw/zinc/80/72/82/492807282.db2.gz IPNWQJLPMXTHCU-HXUWFJFHSA-N 1 3 371.485 0.675 20 0 FCADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873519 492807284 /nfs/dbraw/zinc/80/72/84/492807284.db2.gz IPNWQJLPMXTHCU-HXUWFJFHSA-N 1 3 371.485 0.675 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657874390 492807378 /nfs/dbraw/zinc/80/73/78/492807378.db2.gz RAHCHXWOLAROSK-UHFFFAOYSA-N 1 3 359.474 0.675 20 0 FCADHO O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000657873537 492807448 /nfs/dbraw/zinc/80/74/48/492807448.db2.gz JVAGCTCSEBPFPO-KRWDZBQOSA-N 1 3 357.458 0.427 20 0 FCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638101281 492905585 /nfs/dbraw/zinc/90/55/85/492905585.db2.gz PEPVLFXQLCSKFB-NWDGAFQWSA-N 1 3 354.405 0.964 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000638116187 492909784 /nfs/dbraw/zinc/90/97/84/492909784.db2.gz HRBHIXKZDUNYMX-QFBILLFUSA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000638116187 492909788 /nfs/dbraw/zinc/90/97/88/492909788.db2.gz HRBHIXKZDUNYMX-QFBILLFUSA-N 1 3 360.502 0.850 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000638116187 492909793 /nfs/dbraw/zinc/90/97/93/492909793.db2.gz HRBHIXKZDUNYMX-QFBILLFUSA-N 1 3 360.502 0.850 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652347973 492913134 /nfs/dbraw/zinc/91/31/34/492913134.db2.gz QLNFPZIYAPBVBG-MLHJIOFPSA-N 1 3 366.506 0.332 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000652390435 492922148 /nfs/dbraw/zinc/92/21/48/492922148.db2.gz PKIKXKUOKSAVCN-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO CC(C)O[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000652431330 492930801 /nfs/dbraw/zinc/93/08/01/492930801.db2.gz INYAMQBZKJIEOK-INIZCTEOSA-N 1 3 356.511 0.354 20 0 FCADHO CC(C)(O)C[NH+]1CCC(NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000638421571 492945681 /nfs/dbraw/zinc/94/56/81/492945681.db2.gz WZOWXZZVEXYNEA-HNNXBMFYSA-N 1 3 366.458 0.980 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000652623657 492971742 /nfs/dbraw/zinc/97/17/42/492971742.db2.gz OMRDBCRBDNCJKY-HNNXBMFYSA-N 1 3 362.478 0.231 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652692175 492992309 /nfs/dbraw/zinc/99/23/09/492992309.db2.gz LDNAZTLMDFMTDH-HRCADAONSA-N 1 3 354.495 0.189 20 0 FCADHO CC[N@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)C1CCCCC1 ZINC000652708050 492996683 /nfs/dbraw/zinc/99/66/83/492996683.db2.gz LMPLWPIIMCOHMW-QGZVFWFLSA-N 1 3 367.538 0.249 20 0 FCADHO CC[N@@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN)C1CCCCC1 ZINC000652708050 492996687 /nfs/dbraw/zinc/99/66/87/492996687.db2.gz LMPLWPIIMCOHMW-QGZVFWFLSA-N 1 3 367.538 0.249 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000652731696 493009111 /nfs/dbraw/zinc/00/91/11/493009111.db2.gz RKOPNEBYMHPFED-UHFFFAOYSA-N 1 3 354.495 0.287 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771411 493048646 /nfs/dbraw/zinc/04/86/46/493048646.db2.gz VYVXSEICNUXHMT-WMZOPIPTSA-N 1 3 353.507 0.887 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653124877 493076147 /nfs/dbraw/zinc/07/61/47/493076147.db2.gz KARVMINUJISNOV-IBGZPJMESA-N 1 3 361.534 0.719 20 0 FCADHO CN1CCN(CCCNC(=O)[C@H](N)CC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000653124860 493076342 /nfs/dbraw/zinc/07/63/42/493076342.db2.gz JHFZNYTYBRUBPD-RTBURBONSA-N 1 3 361.534 0.760 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1=O ZINC000653261429 493087244 /nfs/dbraw/zinc/08/72/44/493087244.db2.gz RJZJRDMXIQOSJG-TWMKSMIVSA-N 1 3 366.506 0.284 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000653380662 493109782 /nfs/dbraw/zinc/10/97/82/493109782.db2.gz XAIDZZLVBSFCBZ-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258985 493121066 /nfs/dbraw/zinc/12/10/66/493121066.db2.gz KHOVYLVIEOKUOO-NLWGTHIKSA-N 1 3 359.470 0.291 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258985 493121068 /nfs/dbraw/zinc/12/10/68/493121068.db2.gz KHOVYLVIEOKUOO-NLWGTHIKSA-N 1 3 359.470 0.291 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-c1nnnn1C ZINC000640679935 493124134 /nfs/dbraw/zinc/12/41/34/493124134.db2.gz DVTQOUVCYUPWOI-UHFFFAOYSA-N 1 3 360.466 0.834 20 0 FCADHO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000659022368 493126040 /nfs/dbraw/zinc/12/60/40/493126040.db2.gz PEGAIEZCFLQIRG-UHFFFAOYSA-N 1 3 363.462 0.652 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000633117706 493133082 /nfs/dbraw/zinc/13/30/82/493133082.db2.gz FPQZIBCRMSTKAF-BZZMCLGOSA-N 1 3 356.470 0.667 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000633117756 493133458 /nfs/dbraw/zinc/13/34/58/493133458.db2.gz FZMJRGKNUIBECO-NXHRZFHOSA-N 1 3 358.486 0.710 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000627342143 493163691 /nfs/dbraw/zinc/16/36/91/493163691.db2.gz XKFPOQHYCIMTKM-VXGBXAGGSA-N 1 3 364.412 0.573 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627345995 493166296 /nfs/dbraw/zinc/16/62/96/493166296.db2.gz BHQMGUHQOHLOSQ-OLZOCXBDSA-N 1 3 366.428 0.820 20 0 FCADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641215128 493182183 /nfs/dbraw/zinc/18/21/83/493182183.db2.gz NVMWTCXQKKHBMQ-IBGZPJMESA-N 1 3 358.490 0.219 20 0 FCADHO COCC[C@@H]([NH3+])Cc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230805 493186269 /nfs/dbraw/zinc/18/62/69/493186269.db2.gz UUAYYTMIGFGBQA-MJGOQNOKSA-N 1 3 359.474 0.821 20 0 FCADHO N[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[C@H]1F ZINC000659481307 493192114 /nfs/dbraw/zinc/19/21/14/493192114.db2.gz XSPZZSUKWSYRBO-GVDBMIGSSA-N 1 3 350.438 0.834 20 0 FCADHO N[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[C@H]1F ZINC000659481307 493192121 /nfs/dbraw/zinc/19/21/21/493192121.db2.gz XSPZZSUKWSYRBO-GVDBMIGSSA-N 1 3 350.438 0.834 20 0 FCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000672696283 493234263 /nfs/dbraw/zinc/23/42/63/493234263.db2.gz BKPQZMBEFOIJMT-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000666924836 493238047 /nfs/dbraw/zinc/23/80/47/493238047.db2.gz MBERRTQUPJMIGP-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000666924836 493238049 /nfs/dbraw/zinc/23/80/49/493238049.db2.gz MBERRTQUPJMIGP-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659690335 493255191 /nfs/dbraw/zinc/25/51/91/493255191.db2.gz ROEGPHZCHVRJOQ-UHFFFAOYSA-N 1 3 350.463 0.439 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](CN)C1 ZINC000659693238 493257125 /nfs/dbraw/zinc/25/71/25/493257125.db2.gz DSTGNFFTOIMFPE-VYDXJSESSA-N 1 3 366.506 0.189 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659697779 493259664 /nfs/dbraw/zinc/25/96/64/493259664.db2.gz DSWWOMBNZNOIGE-KRWDZBQOSA-N 1 3 368.522 0.309 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659700538 493261523 /nfs/dbraw/zinc/26/15/23/493261523.db2.gz MXYKFSMFKXUUHF-ZBFHGGJFSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000667151287 493262350 /nfs/dbraw/zinc/26/23/50/493262350.db2.gz GIUOLGMGHJSPBP-OAHLLOKOSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000667151287 493262355 /nfs/dbraw/zinc/26/23/55/493262355.db2.gz GIUOLGMGHJSPBP-OAHLLOKOSA-N 1 3 350.467 0.508 20 0 FCADHO O=C(NCC1CC[NH2+]CC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659710595 493266869 /nfs/dbraw/zinc/26/68/69/493266869.db2.gz SLNDUFZYNAHTFN-UHFFFAOYSA-N 1 3 373.501 0.526 20 0 FCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659730269 493276774 /nfs/dbraw/zinc/27/67/74/493276774.db2.gz QYMVKXVDEKEPDM-GOSISDBHSA-N 1 3 373.501 0.750 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737957 493279688 /nfs/dbraw/zinc/27/96/88/493279688.db2.gz WRIBONMBNNXAQW-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737958 493279895 /nfs/dbraw/zinc/27/98/95/493279895.db2.gz WRIBONMBNNXAQW-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667537189 493289118 /nfs/dbraw/zinc/28/91/18/493289118.db2.gz SRLAZQKKDIXZBE-GOEBONIOSA-N 1 3 360.458 0.906 20 0 FCADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCc2n[nH]nc21 ZINC000667680774 493296124 /nfs/dbraw/zinc/29/61/24/493296124.db2.gz QVDDVKIVOFTOET-MRXNPFEDSA-N 1 3 369.473 0.948 20 0 FCADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000667820470 493304121 /nfs/dbraw/zinc/30/41/21/493304121.db2.gz PUVSEIUBWPQIDY-MRXNPFEDSA-N 1 3 359.478 0.978 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660056463 493320064 /nfs/dbraw/zinc/32/00/64/493320064.db2.gz NVUVQBMQBFTIIV-UHFFFAOYSA-N 1 3 351.499 0.360 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000673465164 493331362 /nfs/dbraw/zinc/33/13/62/493331362.db2.gz PNIWEDFPEKMMIQ-JKSUJKDBSA-N 1 3 370.538 0.648 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000668635041 493387962 /nfs/dbraw/zinc/38/79/62/493387962.db2.gz HIJWXABULCEUPT-KRWDZBQOSA-N 1 3 366.506 0.204 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685520296 493501158 /nfs/dbraw/zinc/50/11/58/493501158.db2.gz BTBFFMVCADNXAV-KRWDZBQOSA-N 1 3 373.501 0.967 20 0 FCADHO CC(C)(C)n1nnc(CCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000662265558 493501872 /nfs/dbraw/zinc/50/18/72/493501872.db2.gz RALRFCZDYWCBQE-LSDHHAIUSA-N 1 3 363.510 0.551 20 0 FCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296816 493504756 /nfs/dbraw/zinc/50/47/56/493504756.db2.gz NMRZZZPUTHEVDG-MSOLQXFVSA-N 1 3 350.507 0.825 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC1 ZINC000662453411 493516665 /nfs/dbraw/zinc/51/66/65/493516665.db2.gz YBBPVGIEVSSNGP-AWEZNQCLSA-N 1 3 364.494 0.740 20 0 FCADHO CCN1CCN(CCC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000685860609 493520123 /nfs/dbraw/zinc/52/01/23/493520123.db2.gz NOBGPOLLSHPGBR-UHFFFAOYSA-N 1 3 363.506 0.666 20 0 FCADHO CC(C)(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CCNCC1 ZINC000662613697 493528075 /nfs/dbraw/zinc/52/80/75/493528075.db2.gz HYMOLKSCDIPYIO-UHFFFAOYSA-N 1 3 352.523 0.677 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757738 493539241 /nfs/dbraw/zinc/53/92/41/493539241.db2.gz LZPQDPYRTXQDCY-RBUKOAKNSA-N 1 3 360.502 0.804 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCNCC1 ZINC000662845021 493546298 /nfs/dbraw/zinc/54/62/98/493546298.db2.gz CDIGRDFWBMNFMS-HNNXBMFYSA-N 1 3 357.520 0.391 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000662860119 493547590 /nfs/dbraw/zinc/54/75/90/493547590.db2.gz QMAPISHQDOXPHC-IAGOWNOFSA-N 1 3 370.457 0.309 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000662949955 493559411 /nfs/dbraw/zinc/55/94/11/493559411.db2.gz ZPWXONOOPAZFNJ-MSOLQXFVSA-N 1 3 358.486 0.712 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662957916 493560999 /nfs/dbraw/zinc/56/09/99/493560999.db2.gz OYLXCGRIPDLWIF-NEWSRXKRSA-N 1 3 372.513 0.958 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662957918 493561138 /nfs/dbraw/zinc/56/11/38/493561138.db2.gz OYLXCGRIPDLWIF-QRQLOZEOSA-N 1 3 372.513 0.958 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662972188 493562483 /nfs/dbraw/zinc/56/24/83/493562483.db2.gz ANUSNDSQVUHSFY-RTBURBONSA-N 1 3 372.513 0.972 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000670804642 493598560 /nfs/dbraw/zinc/59/85/60/493598560.db2.gz IZWOCJSGSCNJKI-UHFFFAOYSA-N 1 3 373.501 0.967 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071372 493629410 /nfs/dbraw/zinc/62/94/10/493629410.db2.gz FZEOUUHECARNPU-CXAGYDPISA-N 1 3 356.536 0.386 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CCCC2)CC1 ZINC000664034183 493631759 /nfs/dbraw/zinc/63/17/59/493631759.db2.gz KRIQABYYAHHMHL-IRXDYDNUSA-N 1 3 368.522 0.726 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100323 493632859 /nfs/dbraw/zinc/63/28/59/493632859.db2.gz BJPUYIAHZWGCAT-IKGGRYGDSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100323 493632860 /nfs/dbraw/zinc/63/28/60/493632860.db2.gz BJPUYIAHZWGCAT-IKGGRYGDSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000671103794 493634032 /nfs/dbraw/zinc/63/40/32/493634032.db2.gz IYVMTPAHELBXIW-IKGGRYGDSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC000671103794 493634033 /nfs/dbraw/zinc/63/40/33/493634033.db2.gz IYVMTPAHELBXIW-IKGGRYGDSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671104242 493634474 /nfs/dbraw/zinc/63/44/74/493634474.db2.gz SSZVMCOKIMJPPA-HOTGVXAUSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671104242 493634475 /nfs/dbraw/zinc/63/44/75/493634475.db2.gz SSZVMCOKIMJPPA-HOTGVXAUSA-N 1 3 366.506 0.299 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000664141312 493639448 /nfs/dbraw/zinc/63/94/48/493639448.db2.gz MSMSTWWYPYXQBS-NCOADZHNSA-N 1 3 356.511 0.440 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000664141312 493639450 /nfs/dbraw/zinc/63/94/50/493639450.db2.gz MSMSTWWYPYXQBS-NCOADZHNSA-N 1 3 356.511 0.440 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181863 493647689 /nfs/dbraw/zinc/64/76/89/493647689.db2.gz SZWDSPWNPAWVEP-IAGOWNOFSA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181863 493647690 /nfs/dbraw/zinc/64/76/90/493647690.db2.gz SZWDSPWNPAWVEP-IAGOWNOFSA-N 1 3 357.458 0.473 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671963546 493719698 /nfs/dbraw/zinc/71/96/98/493719698.db2.gz HUNHDWJZLLABBD-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671963546 493719700 /nfs/dbraw/zinc/71/97/00/493719700.db2.gz HUNHDWJZLLABBD-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014206 493724670 /nfs/dbraw/zinc/72/46/70/493724670.db2.gz KTXHOJLKTPHEBV-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665759161 493733027 /nfs/dbraw/zinc/73/30/27/493733027.db2.gz JFVHGDRIFPXRCM-KRWDZBQOSA-N 1 3 367.538 0.519 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311309 493754782 /nfs/dbraw/zinc/75/47/82/493754782.db2.gz CUISJHPRWQWUSD-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311974 493754795 /nfs/dbraw/zinc/75/47/95/493754795.db2.gz XMRKAKQMUZATNS-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672311974 493754796 /nfs/dbraw/zinc/75/47/96/493754796.db2.gz XMRKAKQMUZATNS-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311971 493755028 /nfs/dbraw/zinc/75/50/28/493755028.db2.gz XMRKAKQMUZATNS-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672311971 493755031 /nfs/dbraw/zinc/75/50/31/493755031.db2.gz XMRKAKQMUZATNS-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011217 674338423 /nfs/dbraw/zinc/33/84/23/674338423.db2.gz QGDVTLAJILEDCK-HZPDHXFCSA-N 1 3 354.495 0.155 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011217 674338426 /nfs/dbraw/zinc/33/84/26/674338426.db2.gz QGDVTLAJILEDCK-HZPDHXFCSA-N 1 3 354.495 0.155 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000263236747 529038346 /nfs/dbraw/zinc/03/83/46/529038346.db2.gz JTCVAWFAPHMOPJ-SFHVURJKSA-N 1 3 362.474 0.681 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000419705454 535071128 /nfs/dbraw/zinc/07/11/28/535071128.db2.gz ZPLCBLCKADAGOE-YLFCFFPRSA-N 1 3 350.507 0.809 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876945 535072622 /nfs/dbraw/zinc/07/26/22/535072622.db2.gz WFBGTZUOJVNHSV-QGZVFWFLSA-N 1 3 367.538 0.025 20 0 FCADHO CCCN(C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@@H]1CC[NH2+]C1 ZINC000419749151 535189048 /nfs/dbraw/zinc/18/90/48/535189048.db2.gz GOQITMPZGCFNRM-OAHLLOKOSA-N 1 3 368.522 0.593 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000415291870 535204794 /nfs/dbraw/zinc/20/47/94/535204794.db2.gz IBHJPTUTOOCDEV-OAHLLOKOSA-N 1 3 359.474 0.715 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423459905 535522821 /nfs/dbraw/zinc/52/28/21/535522821.db2.gz AHEAWPGMEJAJPM-GFCCVEGCSA-N 1 3 352.401 0.669 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054668 535552030 /nfs/dbraw/zinc/55/20/30/535552030.db2.gz FQHKSUDMBIZZRG-BSDSXHPESA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054668 535552035 /nfs/dbraw/zinc/55/20/35/535552035.db2.gz FQHKSUDMBIZZRG-BSDSXHPESA-N 1 3 362.518 0.872 20 0 FCADHO CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760192 535600182 /nfs/dbraw/zinc/60/01/82/535600182.db2.gz GONKCNDPZAWQNR-QAPCUYQASA-N 1 3 355.479 0.475 20 0 FCADHO CCOC(=O)[C@@]1(COC)CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760192 535600184 /nfs/dbraw/zinc/60/01/84/535600184.db2.gz GONKCNDPZAWQNR-QAPCUYQASA-N 1 3 355.479 0.475 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369449 535669850 /nfs/dbraw/zinc/66/98/50/535669850.db2.gz HTQYHXAFNIRJAZ-MSOLQXFVSA-N 1 3 360.502 0.876 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414777258 535856724 /nfs/dbraw/zinc/85/67/24/535856724.db2.gz OKQHRUFAAAFURQ-SFHVURJKSA-N 1 3 374.485 0.840 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419844824 535863879 /nfs/dbraw/zinc/86/38/79/535863879.db2.gz OUHNFEOGOVEVCC-MRXNPFEDSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000419660087 535902698 /nfs/dbraw/zinc/90/26/98/535902698.db2.gz KMZYMINIJDMOSV-UHFFFAOYSA-N 1 3 350.463 0.139 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000419653679 536368043 /nfs/dbraw/zinc/36/80/43/536368043.db2.gz FTUAWHQPDAHDON-MRXNPFEDSA-N 1 3 362.474 0.106 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419228833 536442767 /nfs/dbraw/zinc/44/27/67/536442767.db2.gz NDPMYNIWANDACC-QGZVFWFLSA-N 1 3 350.507 0.825 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000419764452 536481367 /nfs/dbraw/zinc/48/13/67/536481367.db2.gz PKARZOPBDCOASJ-SFHVURJKSA-N 1 3 358.486 0.881 20 0 FCADHO COCCO[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436132239 536582189 /nfs/dbraw/zinc/58/21/89/536582189.db2.gz SPRFWGWAAGCYIH-SFHVURJKSA-N 1 3 368.522 0.992 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419751277 536746637 /nfs/dbraw/zinc/74/66/37/536746637.db2.gz KEYICNMVKGBXDA-GOEBONIOSA-N 1 3 368.522 0.626 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419749532 536747244 /nfs/dbraw/zinc/74/72/44/536747244.db2.gz HHIGZWTYCKFAMF-GDBMZVCRSA-N 1 3 368.522 0.720 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419749533 536747430 /nfs/dbraw/zinc/74/74/30/536747430.db2.gz HHIGZWTYCKFAMF-GOEBONIOSA-N 1 3 368.522 0.720 20 0 FCADHO CCN1CCCN(C(=O)COCC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000329378696 546553097 /nfs/dbraw/zinc/55/30/97/546553097.db2.gz PDNUDWIJKLIFPQ-UHFFFAOYSA-N 1 3 354.495 0.111 20 0 FCADHO CCN1CCCN(C(=O)COCC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000329378696 546553101 /nfs/dbraw/zinc/55/31/01/546553101.db2.gz PDNUDWIJKLIFPQ-UHFFFAOYSA-N 1 3 354.495 0.111 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)CC1 ZINC000329684283 546560954 /nfs/dbraw/zinc/56/09/54/546560954.db2.gz UETULBXEYWZKCY-KRWDZBQOSA-N 1 3 352.523 0.319 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000550632461 547093224 /nfs/dbraw/zinc/09/32/24/547093224.db2.gz JMUJEKSZUAFZTP-KRWDZBQOSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000550632461 547093228 /nfs/dbraw/zinc/09/32/28/547093228.db2.gz JMUJEKSZUAFZTP-KRWDZBQOSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H](C)C1 ZINC000550714789 547099107 /nfs/dbraw/zinc/09/91/07/547099107.db2.gz GTNGBUGQEKOKKA-CABCVRRESA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000550835462 547110560 /nfs/dbraw/zinc/11/05/60/547110560.db2.gz MTFHUAXVCUDEKF-KBXCAEBGSA-N 1 3 370.563 0.729 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000551111838 547125560 /nfs/dbraw/zinc/12/55/60/547125560.db2.gz PCHJWMKCEVCKNK-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000552191512 547194273 /nfs/dbraw/zinc/19/42/73/547194273.db2.gz JARPNTMILLVHFP-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO CCN(CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000553099387 547253893 /nfs/dbraw/zinc/25/38/93/547253893.db2.gz PJDIEZFAADLAGB-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CCN(CCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000553099387 547253897 /nfs/dbraw/zinc/25/38/97/547253897.db2.gz PJDIEZFAADLAGB-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCCNC3=O)CC2)CC1 ZINC000553555836 547288432 /nfs/dbraw/zinc/28/84/32/547288432.db2.gz COGVKFGIRVSOOS-KRWDZBQOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000949197458 674397304 /nfs/dbraw/zinc/39/73/04/674397304.db2.gz SLJPJZHQLZUHKC-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000949197458 674397305 /nfs/dbraw/zinc/39/73/05/674397305.db2.gz SLJPJZHQLZUHKC-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025532 598522659 /nfs/dbraw/zinc/52/26/59/598522659.db2.gz LQDOBVNCZGEIMM-ZIAGYGMSSA-N 1 3 359.482 0.817 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000953818562 674485119 /nfs/dbraw/zinc/48/51/19/674485119.db2.gz YGSOLIVBIPKBDO-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000953818562 674485122 /nfs/dbraw/zinc/48/51/22/674485122.db2.gz YGSOLIVBIPKBDO-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588568 665732502 /nfs/dbraw/zinc/73/25/02/665732502.db2.gz SMDNIJNVAFKDKJ-CVEARBPZSA-N 1 3 353.511 0.175 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000729588568 665732503 /nfs/dbraw/zinc/73/25/03/665732503.db2.gz SMDNIJNVAFKDKJ-CVEARBPZSA-N 1 3 353.511 0.175 20 0 FCADHO CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231688 665933245 /nfs/dbraw/zinc/93/32/45/665933245.db2.gz XBYWNZAMFXVRGU-IAGOWNOFSA-N 1 3 352.523 0.772 20 0 FCADHO CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231688 665933246 /nfs/dbraw/zinc/93/32/46/665933246.db2.gz XBYWNZAMFXVRGU-IAGOWNOFSA-N 1 3 352.523 0.772 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891483844 663409024 /nfs/dbraw/zinc/40/90/24/663409024.db2.gz RZJZCVQUCIKOHM-JYJNAYRXSA-N 1 3 351.495 0.465 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1C(F)(F)F ZINC000891513853 663410828 /nfs/dbraw/zinc/41/08/28/663410828.db2.gz IALMBCGLEWTSHY-LPWJVIDDSA-N 1 3 350.385 0.628 20 0 FCADHO CN1CCN(CCCCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891579965 663416879 /nfs/dbraw/zinc/41/68/79/663416879.db2.gz QIPVBOLLZGCQTM-KBPBESRZSA-N 1 3 365.444 0.793 20 0 FCADHO C[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000891600568 663417939 /nfs/dbraw/zinc/41/79/39/663417939.db2.gz CRVIVRPTAZKAGO-HZSPNIEDSA-N 1 3 365.444 0.649 20 0 FCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892080453 663473922 /nfs/dbraw/zinc/47/39/22/663473922.db2.gz XZAYUGHSSHDTHW-GJZGRUSLSA-N 1 3 351.495 0.500 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904486275 665990121 /nfs/dbraw/zinc/99/01/21/665990121.db2.gz RSDREHMBOVYXGL-UHFFFAOYSA-N 1 3 350.467 0.821 20 0 FCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000892445732 663909602 /nfs/dbraw/zinc/90/96/02/663909602.db2.gz AFQAJNVHHJKVSK-WKILWMFISA-N 1 3 351.495 0.454 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000892921936 664154654 /nfs/dbraw/zinc/15/46/54/664154654.db2.gz ASKULQWJQJCXRF-UHFFFAOYSA-N 1 3 353.511 0.796 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)[C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001029966337 665219628 /nfs/dbraw/zinc/21/96/28/665219628.db2.gz QQXHYVUTPBPSJP-GVDBMIGSSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)[C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001029966337 665219629 /nfs/dbraw/zinc/21/96/29/665219629.db2.gz QQXHYVUTPBPSJP-GVDBMIGSSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000897443588 665288478 /nfs/dbraw/zinc/28/84/78/665288478.db2.gz XSIPOLXEGWSASG-HOTGVXAUSA-N 1 3 351.495 0.276 20 0 FCADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000897443588 665288480 /nfs/dbraw/zinc/28/84/80/665288480.db2.gz XSIPOLXEGWSASG-HOTGVXAUSA-N 1 3 351.495 0.276 20 0 FCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000897488214 665293839 /nfs/dbraw/zinc/29/38/39/665293839.db2.gz YBAUOSFUXSKPSW-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000897488214 665293840 /nfs/dbraw/zinc/29/38/40/665293840.db2.gz YBAUOSFUXSKPSW-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO CN1CCCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000905086080 666003669 /nfs/dbraw/zinc/00/36/69/666003669.db2.gz GZSWIRYTKYVEFZ-IAGOWNOFSA-N 1 3 350.507 0.731 20 0 FCADHO CN1CCCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000905086080 666003673 /nfs/dbraw/zinc/00/36/73/666003673.db2.gz GZSWIRYTKYVEFZ-IAGOWNOFSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506278 666359809 /nfs/dbraw/zinc/35/98/09/666359809.db2.gz YITJALQTRIVFPB-UHFFFAOYSA-N 1 3 354.401 0.463 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@@H](CO)CC[C@@H]3CO)CC2)CC1 ZINC000912228477 666396737 /nfs/dbraw/zinc/39/67/37/666396737.db2.gz PALDMBYOKUVLCY-QZTJIDSGSA-N 1 3 353.507 0.527 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000938549588 666469715 /nfs/dbraw/zinc/46/97/15/666469715.db2.gz UEZHTNGWECUYMC-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000938549588 666469718 /nfs/dbraw/zinc/46/97/18/666469718.db2.gz UEZHTNGWECUYMC-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884532 666530870 /nfs/dbraw/zinc/53/08/70/666530870.db2.gz JRMGDRDOXISWKL-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H](C(=O)N1CC2CN(C(=O)[C@H](CC)[NH+](C)C)CC2(C)C1)N(C)C ZINC000993445831 666905831 /nfs/dbraw/zinc/90/58/31/666905831.db2.gz NDJBWXBIWOTNIW-IOSXPMGOSA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961666159 674785857 /nfs/dbraw/zinc/78/58/57/674785857.db2.gz FMFZIYRQSKRLHH-NQNKBUKLSA-N 1 3 350.507 0.584 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961666159 674785859 /nfs/dbraw/zinc/78/58/59/674785859.db2.gz FMFZIYRQSKRLHH-NQNKBUKLSA-N 1 3 350.507 0.584 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)N(C)C ZINC000994334356 667022784 /nfs/dbraw/zinc/02/27/84/667022784.db2.gz ZUDXJLZCDCNQFD-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001002264440 667527637 /nfs/dbraw/zinc/52/76/37/667527637.db2.gz WXLGFDFCOWGGGP-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001002264440 667527639 /nfs/dbraw/zinc/52/76/39/667527639.db2.gz WXLGFDFCOWGGGP-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC3COC(C)(C)OC3)CC2)CC1 ZINC000758434001 667759425 /nfs/dbraw/zinc/75/94/25/667759425.db2.gz YMHBTMTZMIDHJQ-UHFFFAOYSA-N 1 3 354.495 0.996 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000764500852 667985117 /nfs/dbraw/zinc/98/51/17/667985117.db2.gz AKDDJSONVHWUBA-OAHLLOKOSA-N 1 3 369.579 0.687 20 0 FCADHO CC[NH+](CC)C[C@@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743387041 668047475 /nfs/dbraw/zinc/04/74/75/668047475.db2.gz CXCKOPRAWRVIQD-HNNXBMFYSA-N 1 3 351.495 0.624 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775153750 668200401 /nfs/dbraw/zinc/20/04/01/668200401.db2.gz ZEPIEFSQNVAIOE-LLVKDONJSA-N 1 3 353.294 0.248 20 0 FCADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000780849830 668490610 /nfs/dbraw/zinc/49/06/10/668490610.db2.gz RZSXUBMLXZVWQN-UHFFFAOYSA-N 1 3 363.915 0.720 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843362932 670807535 /nfs/dbraw/zinc/80/75/35/670807535.db2.gz VIUDKVBIKSIWMR-QWHCGFSZSA-N 1 3 351.451 0.332 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3N=NC(=S)N3C)CC2)CC1 ZINC000847441048 671193392 /nfs/dbraw/zinc/19/33/92/671193392.db2.gz QULZPEGXUSKAHK-UHFFFAOYSA-N 1 3 366.535 0.916 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@H]3CCO)CC2)CC1 ZINC000847619751 671212484 /nfs/dbraw/zinc/21/24/84/671212484.db2.gz AHPMGFQEKFMVSW-SFHVURJKSA-N 1 3 353.507 0.793 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CS(N)(=O)=O)c1 ZINC000849066990 671316766 /nfs/dbraw/zinc/31/67/66/671316766.db2.gz VNOABWVPLUNAGP-OAHLLOKOSA-N 1 3 353.492 0.573 20 0 FCADHO CS(=O)(=O)NCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849070378 671316899 /nfs/dbraw/zinc/31/68/99/671316899.db2.gz QHMJBJBQEWJGDE-UHFFFAOYSA-N 1 3 367.519 0.704 20 0 FCADHO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)CN1CCCC1)C(F)(F)F ZINC000863550896 672136513 /nfs/dbraw/zinc/13/65/13/672136513.db2.gz DSTGHNTXECKAJI-JSGCOSHPSA-N 1 3 350.385 0.606 20 0 FCADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000923637186 672655508 /nfs/dbraw/zinc/65/55/08/672655508.db2.gz URQQIIVHPGIAMB-ZWKOTPCHSA-N 1 3 366.531 0.809 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000884576386 673463242 /nfs/dbraw/zinc/46/32/42/673463242.db2.gz GSAJVSZQGSMHLE-IBGZPJMESA-N 1 3 350.507 0.827 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884577692 673463704 /nfs/dbraw/zinc/46/37/04/673463704.db2.gz KQVDHOJYVJQMGY-JHJVBQTASA-N 1 3 364.412 0.573 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884587533 673464177 /nfs/dbraw/zinc/46/41/77/673464177.db2.gz KYNCYPWPTZKUDF-GOSISDBHSA-N 1 3 354.495 0.063 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000884775875 673481140 /nfs/dbraw/zinc/48/11/40/673481140.db2.gz KUXJDGUDVYRSEV-BFHYXJOUSA-N 1 3 358.433 0.481 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885284538 673511970 /nfs/dbraw/zinc/51/19/70/673511970.db2.gz AYZSQMZBLZCPFU-MCIONIFRSA-N 1 3 358.433 0.433 20 0 FCADHO CNC(=O)[C@H](C)N1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040708677 675469128 /nfs/dbraw/zinc/46/91/28/675469128.db2.gz XRVLVVBODZNLMT-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CNC(=O)[C@H](C)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040708677 675469130 /nfs/dbraw/zinc/46/91/30/675469130.db2.gz XRVLVVBODZNLMT-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001021885629 1170250498 /nfs/dbraw/zinc/25/04/98/1170250498.db2.gz SXDTUOMGSNXYJJ-DOTOQJQBSA-N 1 3 359.474 0.888 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC001022035370 1170443939 /nfs/dbraw/zinc/44/39/39/1170443939.db2.gz KNUMSHOCBNNIPL-KSZLIROESA-N 1 3 364.534 0.974 20 0 FCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1)N(C)C ZINC001691250936 1170889286 /nfs/dbraw/zinc/88/92/86/1170889286.db2.gz FMPAQJAHROXKNK-XQQFMLRXSA-N 1 3 366.428 0.880 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCO)C1)N(C)C ZINC001691279747 1171025483 /nfs/dbraw/zinc/02/54/83/1171025483.db2.gz BPXNRZRBWJDJIH-BBWFWOEESA-N 1 3 351.495 0.273 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001691335286 1171135827 /nfs/dbraw/zinc/13/58/27/1171135827.db2.gz LHEHHMZKEOUDPG-FRRDWIJNSA-N 1 3 364.412 0.443 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001691335286 1171135847 /nfs/dbraw/zinc/13/58/47/1171135847.db2.gz LHEHHMZKEOUDPG-FRRDWIJNSA-N 1 3 364.412 0.443 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]32)CCC1 ZINC000972638379 1180090397 /nfs/dbraw/zinc/09/03/97/1180090397.db2.gz LFBLZLVEFZIGJU-ZACQAIPSSA-N 1 3 362.518 0.870 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)[C@@H]3C2)CCC1 ZINC000972649081 1180187714 /nfs/dbraw/zinc/18/77/14/1180187714.db2.gz MZOWPLSNHIXFSV-ZACQAIPSSA-N 1 3 362.518 0.870 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000659073624 1181986703 /nfs/dbraw/zinc/98/67/03/1181986703.db2.gz BIANKFJKURDOAA-SJORKVTESA-N 1 3 368.522 0.545 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC001025435193 1182378896 /nfs/dbraw/zinc/37/88/96/1182378896.db2.gz REODCPZWIVGYCX-IXDOHACOSA-N 1 3 368.522 0.135 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001104732532 1182406407 /nfs/dbraw/zinc/40/64/07/1182406407.db2.gz XGXUDFIWNVEZOV-FMKPAKJESA-N 1 3 357.462 0.805 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765440 1182485536 /nfs/dbraw/zinc/48/55/36/1182485536.db2.gz CALVRSMGYSFVDK-IRXDYDNUSA-N 1 3 367.538 0.470 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892789601 1182506898 /nfs/dbraw/zinc/50/68/98/1182506898.db2.gz QSPLEWHITACAAC-SJORKVTESA-N 1 3 359.474 0.197 20 0 FCADHO Cc1cc(CNCC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1C ZINC001104908315 1182990739 /nfs/dbraw/zinc/99/07/39/1182990739.db2.gz RFKPYXBYPFOOJV-NVXWUHKLSA-N 1 3 365.522 0.881 20 0 FCADHO Cc1cc(CNCC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)ncn1 ZINC001104908280 1182991420 /nfs/dbraw/zinc/99/14/20/1182991420.db2.gz PXMMEESBUUMRBB-NVXWUHKLSA-N 1 3 363.506 0.937 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)N(C)C ZINC000974690495 1183449792 /nfs/dbraw/zinc/44/97/92/1183449792.db2.gz PXFIHAVWCGOFCA-BRWVUGGUSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC000975214432 1183777783 /nfs/dbraw/zinc/77/77/83/1183777783.db2.gz ASUIORBNZYUVRJ-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC000975214432 1183777786 /nfs/dbraw/zinc/77/77/86/1183777786.db2.gz ASUIORBNZYUVRJ-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC000975425309 1183866763 /nfs/dbraw/zinc/86/67/63/1183866763.db2.gz SLVWLOUTCROEBP-HYVNUMGLSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC000975425309 1183866764 /nfs/dbraw/zinc/86/67/64/1183866764.db2.gz SLVWLOUTCROEBP-HYVNUMGLSA-N 1 3 359.474 0.886 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000975726467 1185621482 /nfs/dbraw/zinc/62/14/82/1185621482.db2.gz LSANTRJQRIRJEX-JQHSSLGASA-N 1 3 371.485 0.743 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cn1 ZINC000893871304 1187520041 /nfs/dbraw/zinc/52/00/41/1187520041.db2.gz JJKVTRLNZOXNGK-JKSUJKDBSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cn1 ZINC000893871304 1187520045 /nfs/dbraw/zinc/52/00/45/1187520045.db2.gz JJKVTRLNZOXNGK-JKSUJKDBSA-N 1 3 359.474 0.730 20 0 FCADHO C[C@H](C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1)N1CCCC1 ZINC001270491791 1188172940 /nfs/dbraw/zinc/17/29/40/1188172940.db2.gz YHYCXQFAISALHV-APWZRJJASA-N 1 3 366.506 0.110 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1 ZINC001270666616 1188244769 /nfs/dbraw/zinc/24/47/69/1188244769.db2.gz CQCGCFCVMYCAHF-SCTDSRPQSA-N 1 3 360.502 0.802 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112536138 1188352019 /nfs/dbraw/zinc/35/20/19/1188352019.db2.gz SDQWMEITGALPTE-KSSFIOAISA-N 1 3 360.462 0.196 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1CCN1CCCC1=O ZINC001087574708 1189615155 /nfs/dbraw/zinc/61/51/55/1189615155.db2.gz UEEXFGNJKIVLAH-OKZBNKHCSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993197 1190144261 /nfs/dbraw/zinc/14/42/61/1190144261.db2.gz DUOKUZNZDDVOCN-ZIFCJYIRSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CC1 ZINC001087993197 1190144263 /nfs/dbraw/zinc/14/42/63/1190144263.db2.gz DUOKUZNZDDVOCN-ZIFCJYIRSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088002627 1190184076 /nfs/dbraw/zinc/18/40/76/1190184076.db2.gz NJXGDLKJMVADJB-IKGGRYGDSA-N 1 3 365.522 0.378 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088002627 1190184082 /nfs/dbraw/zinc/18/40/82/1190184082.db2.gz NJXGDLKJMVADJB-IKGGRYGDSA-N 1 3 365.522 0.378 20 0 FCADHO O=C(N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026400 1190262266 /nfs/dbraw/zinc/26/22/66/1190262266.db2.gz HZSGBILLYWOAAD-IXDOHACOSA-N 1 3 360.502 0.674 20 0 FCADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088064593 1190343920 /nfs/dbraw/zinc/34/39/20/1190343920.db2.gz MAEBXMVPQUAPQL-IXDOHACOSA-N 1 3 362.518 0.872 20 0 FCADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088130567 1190632483 /nfs/dbraw/zinc/63/24/83/1190632483.db2.gz VAKXBIUIECLKAO-SQNIBIBYSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1)[NH+](C)C ZINC000986132449 1190902812 /nfs/dbraw/zinc/90/28/12/1190902812.db2.gz YIAJVCHNLLXZKW-ZIFCJYIRSA-N 1 3 364.534 0.975 20 0 FCADHO COc1cc(CNC(=O)c2[nH]nc3c2CNCC3)ccc1OCC[NH+](C)C ZINC000262826462 1190976921 /nfs/dbraw/zinc/97/69/21/1190976921.db2.gz YHGBDIJKPINCKW-UHFFFAOYSA-N 1 3 373.457 0.934 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]3C2)C1 ZINC000986682798 1191086106 /nfs/dbraw/zinc/08/61/06/1191086106.db2.gz IGGMRZLHRBOFHS-KURKYZTESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]3C2)C1 ZINC000986682798 1191086108 /nfs/dbraw/zinc/08/61/08/1191086108.db2.gz IGGMRZLHRBOFHS-KURKYZTESA-N 1 3 362.518 0.731 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000988388213 1191205644 /nfs/dbraw/zinc/20/56/44/1191205644.db2.gz MNJWXAPTPGCAKT-BHYGNILZSA-N 1 3 361.490 0.989 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000988388213 1191205646 /nfs/dbraw/zinc/20/56/46/1191205646.db2.gz MNJWXAPTPGCAKT-BHYGNILZSA-N 1 3 361.490 0.989 20 0 FCADHO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])on1 ZINC001218501691 1224163773 /nfs/dbraw/zinc/16/37/73/1224163773.db2.gz SHHFUDARSODMNY-KCXAZCMYSA-N 1 3 365.478 0.478 20 0 FCADHO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000550986096 1193824612 /nfs/dbraw/zinc/82/46/12/1193824612.db2.gz MYRIUOQFXPMHOT-ZBFHGGJFSA-N 1 3 364.490 0.971 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1noc2nccnc12 ZINC001218574624 1224175028 /nfs/dbraw/zinc/17/50/28/1224175028.db2.gz NMTGRXPFVVRTQL-QWRGUYRKSA-N 1 3 361.406 0.004 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000842232065 1194106592 /nfs/dbraw/zinc/10/65/92/1194106592.db2.gz CXYDFWHNZGPJES-GOSISDBHSA-N 1 3 360.502 0.735 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521945 1194135179 /nfs/dbraw/zinc/13/51/79/1194135179.db2.gz NBPNOEBZYRCDBO-OTWHNJEPSA-N 1 3 367.534 0.942 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521945 1194135182 /nfs/dbraw/zinc/13/51/82/1194135182.db2.gz NBPNOEBZYRCDBO-OTWHNJEPSA-N 1 3 367.534 0.942 20 0 FCADHO COc1ccc(N)c(N(C(=O)[C@H](N)CCC[NH3+])C2COC(C)(C)OC2)n1 ZINC001218685666 1224196830 /nfs/dbraw/zinc/19/68/30/1224196830.db2.gz ONOCEGMYJGELRH-CYBMUJFWSA-N 1 3 367.450 0.223 20 0 FCADHO Nc1cccnc1N(C(=O)[C@@H]1CC[C@@]2(C1)CNCCO2)C1CC[NH2+]CC1 ZINC001218695054 1224197808 /nfs/dbraw/zinc/19/78/08/1224197808.db2.gz KIMKBKOLLFWGCS-AUUYWEPGSA-N 1 3 359.474 0.908 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1=O ZINC001076205069 1194352888 /nfs/dbraw/zinc/35/28/88/1194352888.db2.gz MBMSDERLZOBMME-ZWKOTPCHSA-N 1 3 358.486 0.760 20 0 FCADHO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218945100 1224268190 /nfs/dbraw/zinc/26/81/90/1224268190.db2.gz JSELILLDQBVVTI-BBEGDGIKSA-N 1 3 355.442 0.684 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)cc2C1 ZINC000904509194 1195540762 /nfs/dbraw/zinc/54/07/62/1195540762.db2.gz DORPBMVIYTWPEA-FHLIZLRMSA-N 1 3 359.474 0.961 20 0 FCADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905046415 1195571874 /nfs/dbraw/zinc/57/18/74/1195571874.db2.gz ADFOGQMGVZSYQZ-PMACEKPBSA-N 1 3 363.502 0.426 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910836693 1195849143 /nfs/dbraw/zinc/84/91/43/1195849143.db2.gz IUJZFBAXAIDOAL-INIZCTEOSA-N 1 3 359.474 0.719 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911101184 1195889737 /nfs/dbraw/zinc/88/97/37/1195889737.db2.gz ICGXTEIIJIZRLO-CKEIUWERSA-N 1 3 359.474 0.529 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000911146826 1195898205 /nfs/dbraw/zinc/89/82/05/1195898205.db2.gz SRELYRQPRNEUMB-UHFFFAOYSA-N 1 3 373.501 0.048 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911256692 1195927731 /nfs/dbraw/zinc/92/77/31/1195927731.db2.gz ZETQXKOBIVLTQK-LSDHHAIUSA-N 1 3 366.506 0.060 20 0 FCADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911324394 1195933195 /nfs/dbraw/zinc/93/31/95/1195933195.db2.gz BVBDPNRZNBMTPA-BSDSXHPESA-N 1 3 356.470 0.860 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911333765 1195935462 /nfs/dbraw/zinc/93/54/62/1195935462.db2.gz UWIYVXUCEMHANZ-BMGDILEWSA-N 1 3 358.486 0.964 20 0 FCADHO N[C@@H]1C[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736327 1196736180 /nfs/dbraw/zinc/73/61/80/1196736180.db2.gz AIIQCGGZJUTVLB-PKOBYXMFSA-N 1 3 358.486 0.905 20 0 FCADHO Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219266694 1224409404 /nfs/dbraw/zinc/40/94/04/1224409404.db2.gz SLZQNHSTGINIMV-WMZOPIPTSA-N 1 3 373.501 0.995 20 0 FCADHO [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001219290765 1224416623 /nfs/dbraw/zinc/41/66/23/1224416623.db2.gz KUCJZKONWOQQPQ-CQSZACIVSA-N 1 3 363.437 0.022 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106245937 1197779529 /nfs/dbraw/zinc/77/95/29/1197779529.db2.gz GJPOYPAATIOXSP-HZPDHXFCSA-N 1 3 366.506 0.014 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249260 1197781423 /nfs/dbraw/zinc/78/14/23/1197781423.db2.gz DVDFNTVVILWIHL-OLMNPRSZSA-N 1 3 368.522 0.163 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106255638 1197791836 /nfs/dbraw/zinc/79/18/36/1197791836.db2.gz BSPIHRRQSVVXCX-NUJGCVRESA-N 1 3 363.506 0.412 20 0 FCADHO COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255665 1197793021 /nfs/dbraw/zinc/79/30/21/1197793021.db2.gz DKCHCSLHUVQIEJ-NUJGCVRESA-N 1 3 371.522 0.179 20 0 FCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000734667524 1197802155 /nfs/dbraw/zinc/80/21/55/1197802155.db2.gz HGTLRSLTSZGCAU-BZSNNMDCSA-N 1 3 365.522 0.271 20 0 FCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000734667524 1197802157 /nfs/dbraw/zinc/80/21/57/1197802157.db2.gz HGTLRSLTSZGCAU-BZSNNMDCSA-N 1 3 365.522 0.271 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)N(C)C ZINC001106282224 1197825761 /nfs/dbraw/zinc/82/57/61/1197825761.db2.gz ZDZFTVXEJDIOCH-NUJGCVRESA-N 1 3 368.522 0.116 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1)N(C)C ZINC001106312369 1197862248 /nfs/dbraw/zinc/86/22/48/1197862248.db2.gz DLVQOZXOKMJMHT-BPLDGKMQSA-N 1 3 365.478 0.946 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]([NH+]3CCCC3)CC1)C2=O ZINC000738268957 1197996113 /nfs/dbraw/zinc/99/61/13/1197996113.db2.gz DWCHFXJKHSWYHT-MRXNPFEDSA-N 1 3 363.506 0.910 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[N@@H+](C3CCCC3)CC1)C2=O ZINC000738270456 1197996576 /nfs/dbraw/zinc/99/65/76/1197996576.db2.gz SBJMJWTWNZGPBS-UHFFFAOYSA-N 1 3 363.506 0.910 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CCC[N@H+](C3CCCC3)CC1)C2=O ZINC000738270456 1197996582 /nfs/dbraw/zinc/99/65/82/1197996582.db2.gz SBJMJWTWNZGPBS-UHFFFAOYSA-N 1 3 363.506 0.910 20 0 FCADHO COc1cc2c(cc1NC(=O)c1ccc(CN)nc1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219506507 1224492757 /nfs/dbraw/zinc/49/27/57/1224492757.db2.gz KYVUXKJCIIDJDV-IBGZPJMESA-N 1 3 367.409 0.984 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370169 1199128342 /nfs/dbraw/zinc/12/83/42/1199128342.db2.gz QVENWPJJWWKSTG-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129370169 1199128346 /nfs/dbraw/zinc/12/83/46/1199128346.db2.gz QVENWPJJWWKSTG-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)COC1(C)C ZINC001219705841 1224567641 /nfs/dbraw/zinc/56/76/41/1224567641.db2.gz QDZBZHFUHYQNKK-LRDDRELGSA-N 1 3 360.458 0.259 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737602 1224586568 /nfs/dbraw/zinc/58/65/68/1224586568.db2.gz ZVYFRXVYPLXWML-PMPSAXMXSA-N 1 3 368.522 0.385 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767945898 1200043100 /nfs/dbraw/zinc/04/31/00/1200043100.db2.gz UQROYNSTPZXHSP-BRSBDYLESA-N 1 3 366.506 0.527 20 0 FCADHO CCCCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129386010 1200110217 /nfs/dbraw/zinc/11/02/17/1200110217.db2.gz VQRZMPJKZVJZRI-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301846 1200159913 /nfs/dbraw/zinc/15/99/13/1200159913.db2.gz MZGZUURWSDSGOF-MVJTYMMSSA-N 1 3 363.506 0.941 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975968 1200658037 /nfs/dbraw/zinc/65/80/37/1200658037.db2.gz MEBCHWNGPYJGJP-BDXSIMOUSA-N 1 3 366.506 0.202 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975968 1200658069 /nfs/dbraw/zinc/65/80/69/1200658069.db2.gz MEBCHWNGPYJGJP-BDXSIMOUSA-N 1 3 366.506 0.202 20 0 FCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834125 1224644899 /nfs/dbraw/zinc/64/48/99/1224644899.db2.gz OIXRJXPQJLYVAC-XKGZKEIXSA-N 1 3 361.486 0.685 20 0 FCADHO C[NH+](C)CCOC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790365852 1201073203 /nfs/dbraw/zinc/07/32/03/1201073203.db2.gz HYYWTDZXAMOEEH-IBGZPJMESA-N 1 3 366.506 0.903 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH3+] ZINC001219872433 1224665741 /nfs/dbraw/zinc/66/57/41/1224665741.db2.gz FDRFESIFCJILEW-ZLIFDBKOSA-N 1 3 359.474 0.644 20 0 FCADHO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894921 1201429709 /nfs/dbraw/zinc/42/97/09/1201429709.db2.gz YBDVNEUYYDPTOM-OIISXLGYSA-N 1 3 364.494 0.265 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129896204 1201430528 /nfs/dbraw/zinc/43/05/28/1201430528.db2.gz SKGNFXJZVUJMAM-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129899624 1201432185 /nfs/dbraw/zinc/43/21/85/1201432185.db2.gz CCNINOKLHFVFNW-IKGGRYGDSA-N 1 3 366.510 0.631 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130047782 1201486445 /nfs/dbraw/zinc/48/64/45/1201486445.db2.gz SXHIDIAJBOLBRW-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)OCCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919935 1224681786 /nfs/dbraw/zinc/68/17/86/1224681786.db2.gz ULRKJKQQADJFKG-MSOLQXFVSA-N 1 3 364.490 0.884 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072082 1202856726 /nfs/dbraw/zinc/85/67/26/1202856726.db2.gz IRHVKSCCCOFMLN-ARFHVFGLSA-N 1 3 365.522 0.663 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001131592883 1202917328 /nfs/dbraw/zinc/91/73/28/1202917328.db2.gz AILAEKOTOOASPE-OGWOLHLISA-N 1 3 366.506 0.060 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131592883 1202917330 /nfs/dbraw/zinc/91/73/30/1202917330.db2.gz AILAEKOTOOASPE-OGWOLHLISA-N 1 3 366.506 0.060 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131582801 1202917557 /nfs/dbraw/zinc/91/75/57/1202917557.db2.gz ADZPXMULZCACHK-APWZRJJASA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000816522434 1203072111 /nfs/dbraw/zinc/07/21/11/1203072111.db2.gz ZBCMIQANJHJUJK-BZUAXINKSA-N 1 3 366.506 0.901 20 0 FCADHO O=C(NCc1ncn2c1CNCCC2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220311317 1224825257 /nfs/dbraw/zinc/82/52/57/1224825257.db2.gz MDMQGWYQNXYWQT-GOSISDBHSA-N 1 3 372.473 0.622 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220356471 1224840976 /nfs/dbraw/zinc/84/09/76/1224840976.db2.gz AGRCXIVMUUPHPG-QBPKDAKJSA-N 1 3 361.442 0.142 20 0 FCADHO N[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCCN2)CC[NH2+]C1 ZINC001220356705 1224840983 /nfs/dbraw/zinc/84/09/83/1224840983.db2.gz CXJZLPXAFHTGTB-TXPKVOOTSA-N 1 3 360.458 0.253 20 0 FCADHO [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220356936 1224841100 /nfs/dbraw/zinc/84/11/00/1224841100.db2.gz GLBICNKLGUHPJM-TWMKSMIVSA-N 1 3 361.442 0.536 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]C[C@H]2CCOC2)cn1 ZINC001086999647 1204888877 /nfs/dbraw/zinc/88/88/77/1204888877.db2.gz OWJZPXIUAKLBBU-XOKHGSTOSA-N 1 3 358.446 0.306 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001087059352 1204943357 /nfs/dbraw/zinc/94/33/57/1204943357.db2.gz AMESDAXVVNGQNW-KBAYOESNSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059693 1204944047 /nfs/dbraw/zinc/94/40/47/1204944047.db2.gz QLYXERHISKICJN-CRAIPNDOSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccn(CC)n1 ZINC001087100943 1204998564 /nfs/dbraw/zinc/99/85/64/1204998564.db2.gz MCPCUEJOCYPBEJ-JFIYKMOQSA-N 1 3 363.506 0.808 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccn(CC)n1 ZINC001087100943 1204998580 /nfs/dbraw/zinc/99/85/80/1204998580.db2.gz MCPCUEJOCYPBEJ-JFIYKMOQSA-N 1 3 363.506 0.808 20 0 FCADHO CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1ccn(C)n1 ZINC001087096772 1205004572 /nfs/dbraw/zinc/00/45/72/1205004572.db2.gz CTIVGOYLUZYBAP-NVXWUHKLSA-N 1 3 361.490 0.469 20 0 FCADHO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4ccncc4)n3)C[C@]2(C)C1 ZINC001091845160 1205035910 /nfs/dbraw/zinc/03/59/10/1205035910.db2.gz LOSCGMLJNBRHDV-KUHUBIRLSA-N 1 3 368.441 0.407 20 0 FCADHO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4ccncc4)n3)C[C@]2(C)C1 ZINC001091845160 1205035913 /nfs/dbraw/zinc/03/59/13/1205035913.db2.gz LOSCGMLJNBRHDV-KUHUBIRLSA-N 1 3 368.441 0.407 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011223 1205112472 /nfs/dbraw/zinc/11/24/72/1205112472.db2.gz UHKWUKFJVXEYNU-FCEWJHQRSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011223 1205112476 /nfs/dbraw/zinc/11/24/76/1205112476.db2.gz UHKWUKFJVXEYNU-FCEWJHQRSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071566 1205135117 /nfs/dbraw/zinc/13/51/17/1205135117.db2.gz BBKTXZDYSWAVKQ-MDYRTPRTSA-N 1 3 364.534 0.975 20 0 FCADHO N[C@@H](CC[NH3+])C(=O)NC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220533902 1224910476 /nfs/dbraw/zinc/91/04/76/1224910476.db2.gz TTWRSNQWVHWIOH-UXHICEINSA-N 1 3 370.497 0.842 20 0 FCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854307 1205936089 /nfs/dbraw/zinc/93/60/89/1205936089.db2.gz FCWYZINHQSLTSB-HLLBOEOZSA-N 1 3 360.502 0.962 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093223440 1206062609 /nfs/dbraw/zinc/06/26/09/1206062609.db2.gz ZDJLWHQUDHBZQF-OLMNPRSZSA-N 1 3 358.486 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093277026 1206069743 /nfs/dbraw/zinc/06/97/43/1206069743.db2.gz ANDVHEWRMGCKCY-RBSFLKMASA-N 1 3 364.490 0.350 20 0 FCADHO COc1coc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)cc1=O ZINC001093674215 1206099695 /nfs/dbraw/zinc/09/96/95/1206099695.db2.gz CEFZNKOQLBHVNB-FMKPAKJESA-N 1 3 363.458 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094130991 1206189820 /nfs/dbraw/zinc/18/98/20/1206189820.db2.gz HWPLOXLNTJOIHE-BZUAXINKSA-N 1 3 364.490 0.208 20 0 FCADHO CCN(CC)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001180387421 1206394177 /nfs/dbraw/zinc/39/41/77/1206394177.db2.gz HKYGBRGYCWCEMK-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182660627 1206441972 /nfs/dbraw/zinc/44/19/72/1206441972.db2.gz CUIFGEAZWPKOQP-NUJGCVRESA-N 1 3 366.506 0.060 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001182692271 1206442330 /nfs/dbraw/zinc/44/23/30/1206442330.db2.gz GIZLLQZEQNVKKH-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001182692271 1206442332 /nfs/dbraw/zinc/44/23/32/1206442332.db2.gz GIZLLQZEQNVKKH-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001185783795 1206485402 /nfs/dbraw/zinc/48/54/02/1206485402.db2.gz HLWUOJCXOZOCSN-QRVBRYPASA-N 1 3 370.497 0.801 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001185783795 1206485405 /nfs/dbraw/zinc/48/54/05/1206485405.db2.gz HLWUOJCXOZOCSN-QRVBRYPASA-N 1 3 370.497 0.801 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001220642939 1224981735 /nfs/dbraw/zinc/98/17/35/1224981735.db2.gz OCOBISNMOICMBF-MSOLQXFVSA-N 1 3 369.506 0.075 20 0 FCADHO N[C@H](Cc1cccc(O)c1)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651282 1224990877 /nfs/dbraw/zinc/99/08/77/1224990877.db2.gz IUMRTRLTGHESKC-GOSISDBHSA-N 1 3 354.454 0.988 20 0 FCADHO CC(C)N1CC[C@@H](N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971562 1207492902 /nfs/dbraw/zinc/49/29/02/1207492902.db2.gz WLZHVOHIPHPLIW-GVDBMIGSSA-N 1 3 362.518 0.870 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001188978755 1207496935 /nfs/dbraw/zinc/49/69/35/1207496935.db2.gz FDXVRWAPZYKEOV-DLBZAZTESA-N 1 3 362.518 0.873 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189127327 1207509687 /nfs/dbraw/zinc/50/96/87/1207509687.db2.gz UKWNTENGGLAKGV-FCEWJHQRSA-N 1 3 371.497 0.741 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001189127327 1207509692 /nfs/dbraw/zinc/50/96/92/1207509692.db2.gz UKWNTENGGLAKGV-FCEWJHQRSA-N 1 3 371.497 0.741 20 0 FCADHO O=C(N1CC[C@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801343 1207610083 /nfs/dbraw/zinc/61/00/83/1207610083.db2.gz DESWDKONCLUTJP-OKZBNKHCSA-N 1 3 363.502 0.811 20 0 FCADHO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001190317203 1207674568 /nfs/dbraw/zinc/67/45/68/1207674568.db2.gz FIJFGBSFPOCHES-IPMKNSEASA-N 1 3 361.486 0.902 20 0 FCADHO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001190317203 1207674572 /nfs/dbraw/zinc/67/45/72/1207674572.db2.gz FIJFGBSFPOCHES-IPMKNSEASA-N 1 3 361.486 0.902 20 0 FCADHO CCN1CCN(Cc2ccc(C(=O)n3cc(C[NH3+])cnc3=N)cc2)CC1 ZINC001190865703 1207733141 /nfs/dbraw/zinc/73/31/41/1207733141.db2.gz HYZCDXDALGTOIC-UHFFFAOYSA-N 1 3 354.458 0.647 20 0 FCADHO N[C@@H](C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690149 1225018364 /nfs/dbraw/zinc/01/83/64/1225018364.db2.gz RXBJRDIENJLNCT-QFBILLFUSA-N 1 3 358.486 0.868 20 0 FCADHO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802443 1207809553 /nfs/dbraw/zinc/80/95/53/1207809553.db2.gz RLSVFGJDSNILBF-KZNAEPCWSA-N 1 3 365.449 0.850 20 0 FCADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802443 1207809554 /nfs/dbraw/zinc/80/95/54/1207809554.db2.gz RLSVFGJDSNILBF-KZNAEPCWSA-N 1 3 365.449 0.850 20 0 FCADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802443 1207809556 /nfs/dbraw/zinc/80/95/56/1207809556.db2.gz RLSVFGJDSNILBF-KZNAEPCWSA-N 1 3 365.449 0.850 20 0 FCADHO O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220727543 1225037800 /nfs/dbraw/zinc/03/78/00/1225037800.db2.gz IWDVRCFRSCLGPF-BQFCYCMXSA-N 1 3 356.470 0.997 20 0 FCADHO O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220727543 1225037807 /nfs/dbraw/zinc/03/78/07/1225037807.db2.gz IWDVRCFRSCLGPF-BQFCYCMXSA-N 1 3 356.470 0.997 20 0 FCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198901373 1208299275 /nfs/dbraw/zinc/29/92/75/1208299275.db2.gz VNNAJHJQXYQYAS-UHFFFAOYSA-N 1 3 364.450 0.272 20 0 FCADHO C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000851883629 1209523685 /nfs/dbraw/zinc/52/36/85/1209523685.db2.gz WSZLQKQAEMYIRJ-KPFFTGBYSA-N 1 3 360.502 0.317 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853340515 1209589927 /nfs/dbraw/zinc/58/99/27/1209589927.db2.gz ADTASKMGXXJHLX-LJQANCHMSA-N 1 3 359.474 0.635 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746739 1209792102 /nfs/dbraw/zinc/79/21/02/1209792102.db2.gz BXCWYULNJBLUQI-XDNAFOTISA-N 1 3 362.474 0.637 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc2)CC1 ZINC000861539856 1209870201 /nfs/dbraw/zinc/87/02/01/1209870201.db2.gz QIKPSERVTIPADG-HNNXBMFYSA-N 1 3 361.490 0.568 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)c1 ZINC000868310145 1210051675 /nfs/dbraw/zinc/05/16/75/1210051675.db2.gz QQYWJEXKDSYMDA-UHFFFAOYSA-N 1 3 373.501 0.631 20 0 FCADHO O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1COC2(CNC2)CN1 ZINC001221030652 1225193010 /nfs/dbraw/zinc/19/30/10/1225193010.db2.gz HHBYPCTVTZRSDT-IRXDYDNUSA-N 1 3 362.449 0.313 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030198 1225193175 /nfs/dbraw/zinc/19/31/75/1225193175.db2.gz BJVWIJPZRVQXCU-JKSUJKDBSA-N 1 3 365.453 0.758 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875112062 1210338901 /nfs/dbraw/zinc/33/89/01/1210338901.db2.gz COOWOEKDHMCMIT-MRXNPFEDSA-N 1 3 367.538 0.071 20 0 FCADHO CCC(CC)[C@@H](NC(=O)CN(C)C(C)C)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068219 1225207731 /nfs/dbraw/zinc/20/77/31/1225207731.db2.gz TUNHSBNFGHQZQG-QBBQCFRVSA-N 1 3 371.522 0.745 20 0 FCADHO CC(=O)N1C[C@H]2CN(CC[C@@H](C)[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311333 1210528713 /nfs/dbraw/zinc/52/87/13/1210528713.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 1 3 362.518 0.585 20 0 FCADHO CC(=O)N1C[C@H]2CN(CC[C@@H](C)[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311333 1210528718 /nfs/dbraw/zinc/52/87/18/1210528718.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 1 3 362.518 0.585 20 0 FCADHO CC(=O)N1C[C@H]2CN([C@H](C)CC[N@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311333 1210528719 /nfs/dbraw/zinc/52/87/19/1210528719.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 1 3 362.518 0.585 20 0 FCADHO CC(=O)N1C[C@H]2CN([C@H](C)CC[N@@H+]3C[C@H]4CN(C(C)=O)C[C@H]4C3)C[C@H]2C1 ZINC000880311333 1210528721 /nfs/dbraw/zinc/52/87/21/1210528721.db2.gz BZNGWNYZVKPFLQ-QSWMPLQWSA-N 1 3 362.518 0.585 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)Cn3cc(CC[NH3+])nn3)cc2)CC1 ZINC000881389791 1210586932 /nfs/dbraw/zinc/58/69/32/1210586932.db2.gz FKQFECXQSCGNCH-UHFFFAOYSA-N 1 3 357.462 0.560 20 0 FCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CNCc2ccnn2C1 ZINC001221112348 1225227489 /nfs/dbraw/zinc/22/74/89/1225227489.db2.gz RBGWFHFLHPATGY-OAHLLOKOSA-N 1 3 354.458 0.435 20 0 FCADHO CO[C@@H]1COCC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000883249065 1210660407 /nfs/dbraw/zinc/66/04/07/1210660407.db2.gz RMOKHDABWQWZJG-ZWKOTPCHSA-N 1 3 368.522 0.990 20 0 FCADHO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC000883385772 1210664285 /nfs/dbraw/zinc/66/42/85/1210664285.db2.gz SEQFQLUAOYKTPV-KRWDZBQOSA-N 1 3 369.554 0.765 20 0 FCADHO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC000883385772 1210664293 /nfs/dbraw/zinc/66/42/93/1210664293.db2.gz SEQFQLUAOYKTPV-KRWDZBQOSA-N 1 3 369.554 0.765 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)C[C@@H]3CCCO3)CC2)CC1 ZINC000884124308 1210716349 /nfs/dbraw/zinc/71/63/49/1210716349.db2.gz UGAHQUNPFJRTBF-AEFFLSMTSA-N 1 3 368.522 0.774 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884509576 1210742270 /nfs/dbraw/zinc/74/22/70/1210742270.db2.gz JWDGSFIYRWEZQA-COXVUDFISA-N 1 3 357.458 0.296 20 0 FCADHO CCC1([NH3+])CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000884566823 1210752708 /nfs/dbraw/zinc/75/27/08/1210752708.db2.gz UVWBJDBJQCWACH-UHFFFAOYSA-N 1 3 372.513 0.932 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884577326 1210755453 /nfs/dbraw/zinc/75/54/53/1210755453.db2.gz CJFNPLLLAOCSJD-RBUKOAKNSA-N 1 3 370.497 0.904 20 0 FCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000884577364 1210755598 /nfs/dbraw/zinc/75/55/98/1210755598.db2.gz DHKIRHMFCVZPMB-MAUKXSAKSA-N 1 3 358.486 0.808 20 0 FCADHO [NH3+][C@@H](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)Cc1ccccc1 ZINC000884631520 1210768242 /nfs/dbraw/zinc/76/82/42/1210768242.db2.gz MZBDSBMWILXQBW-ZWKOTPCHSA-N 1 3 358.486 0.663 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884670429 1210775487 /nfs/dbraw/zinc/77/54/87/1210775487.db2.gz ZPIOWPOJADEKDH-KSZLIROESA-N 1 3 356.470 0.560 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884670429 1210775491 /nfs/dbraw/zinc/77/54/91/1210775491.db2.gz ZPIOWPOJADEKDH-KSZLIROESA-N 1 3 356.470 0.560 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884669938 1210776350 /nfs/dbraw/zinc/77/63/50/1210776350.db2.gz KRLQFLDQDDMYSZ-DLBZAZTESA-N 1 3 367.538 0.106 20 0 FCADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884692990 1210782436 /nfs/dbraw/zinc/78/24/36/1210782436.db2.gz HJIAPAWXOXHYJC-GOSISDBHSA-N 1 3 358.486 0.883 20 0 FCADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000884706105 1210784520 /nfs/dbraw/zinc/78/45/20/1210784520.db2.gz RXSGIONRZCLRJO-GDBMZVCRSA-N 1 3 368.522 0.842 20 0 FCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000884706547 1210785415 /nfs/dbraw/zinc/78/54/15/1210785415.db2.gz GYRUGSVPEUMQPR-CABCVRRESA-N 1 3 366.506 0.693 20 0 FCADHO CC1(C)CC[C@@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)[NH2+]C1 ZINC000884787089 1210795059 /nfs/dbraw/zinc/79/50/59/1210795059.db2.gz GRIVGEBGRPYYHK-HOTGVXAUSA-N 1 3 366.506 0.250 20 0 FCADHO CC(C)([NH3+])CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000885195292 1210815605 /nfs/dbraw/zinc/81/56/05/1210815605.db2.gz JXFXEMHAIBXHRF-DLBZAZTESA-N 1 3 358.486 0.963 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000885290559 1210817550 /nfs/dbraw/zinc/81/75/50/1210817550.db2.gz DWZUTEDZGPXCPT-HUUCEWRRSA-N 1 3 372.460 0.824 20 0 FCADHO O=C(CCN1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000886872536 1210838664 /nfs/dbraw/zinc/83/86/64/1210838664.db2.gz VBERJJUIZUFPNN-FQEVSTJZSA-N 1 3 372.517 0.981 20 0 FCADHO CC(C)COC[C@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001691719523 1210843111 /nfs/dbraw/zinc/84/31/11/1210843111.db2.gz HAFMWGOHTWAFCY-NXHRZFHOSA-N 1 3 355.523 0.941 20 0 FCADHO CCN(C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887067935 1210845245 /nfs/dbraw/zinc/84/52/45/1210845245.db2.gz BYZAPWITFODNBW-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO COCC[N@H+]1[C@H](C)CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@@H]1C ZINC000826634249 1210938162 /nfs/dbraw/zinc/93/81/62/1210938162.db2.gz YRDINSJXJYWSFX-OKILXGFUSA-N 1 3 367.498 0.642 20 0 FCADHO COCC[N@@H+]1[C@H](C)CN(c2nc(NCCO)nc(NC(C)C)n2)C[C@@H]1C ZINC000826634249 1210938164 /nfs/dbraw/zinc/93/81/64/1210938164.db2.gz YRDINSJXJYWSFX-OKILXGFUSA-N 1 3 367.498 0.642 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000890150050 1210970253 /nfs/dbraw/zinc/97/02/53/1210970253.db2.gz UDHYYCHFEHZFQV-UHFFFAOYSA-N 1 3 361.446 0.072 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001274418806 1211049627 /nfs/dbraw/zinc/04/96/27/1211049627.db2.gz LKHCKROKRFTALK-KRWDZBQOSA-N 1 3 362.518 0.731 20 0 FCADHO COCCOCN1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171684 1211188379 /nfs/dbraw/zinc/18/83/79/1211188379.db2.gz MUEFWTOKMBYSDO-KSZLIROESA-N 1 3 368.522 0.023 20 0 FCADHO COCCOCN1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C[C@H]2CC1 ZINC001275171684 1211188381 /nfs/dbraw/zinc/18/83/81/1211188381.db2.gz MUEFWTOKMBYSDO-KSZLIROESA-N 1 3 368.522 0.023 20 0 FCADHO CN1CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303114 /nfs/dbraw/zinc/30/31/14/1211303114.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 1 3 361.490 0.528 20 0 FCADHO CN1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303115 /nfs/dbraw/zinc/30/31/15/1211303115.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 1 3 361.490 0.528 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303117 /nfs/dbraw/zinc/30/31/17/1211303117.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 1 3 361.490 0.528 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303119 /nfs/dbraw/zinc/30/31/19/1211303119.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 1 3 361.490 0.528 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C[C@H]1[NH3+] ZINC000926318863 1211530371 /nfs/dbraw/zinc/53/03/71/1211530371.db2.gz BEDZVAKCDQWIBA-CRAIPNDOSA-N 1 3 373.501 0.353 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926349329 1211537644 /nfs/dbraw/zinc/53/76/44/1211537644.db2.gz VSHHDDHHAICEAR-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000926386959 1211544040 /nfs/dbraw/zinc/54/40/40/1211544040.db2.gz QVSKVCGMTBVCLU-GBESFXJTSA-N 1 3 370.497 0.917 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)CCO2 ZINC000927637550 1211577599 /nfs/dbraw/zinc/57/75/99/1211577599.db2.gz WFLVVCNUGPPRRZ-KRWDZBQOSA-N 1 3 366.506 0.746 20 0 FCADHO COc1ccccc1[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221337330 1225300309 /nfs/dbraw/zinc/30/03/09/1225300309.db2.gz PQRHKZISQLBYDP-JKSUJKDBSA-N 1 3 359.430 0.919 20 0 FCADHO Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C(=O)[C@@H](N)CN)C(C)(C)C)c1=O ZINC001221358907 1225302849 /nfs/dbraw/zinc/30/28/49/1225302849.db2.gz SCVWXLXEXISTGX-AWEZNQCLSA-N 1 3 372.473 0.324 20 0 FCADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221365942 1225303069 /nfs/dbraw/zinc/30/30/69/1225303069.db2.gz LHTHTTHZCUEQAE-CVEARBPZSA-N 1 3 361.442 0.497 20 0 FCADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221365942 1225303073 /nfs/dbraw/zinc/30/30/73/1225303073.db2.gz LHTHTTHZCUEQAE-CVEARBPZSA-N 1 3 361.442 0.497 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)NC1 ZINC001221391121 1225305235 /nfs/dbraw/zinc/30/52/35/1225305235.db2.gz AVSSZSXJCGOCLB-MJGOQNOKSA-N 1 3 359.518 0.771 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000949887510 1212480940 /nfs/dbraw/zinc/48/09/40/1212480940.db2.gz XQGFFGDXAPULMX-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701528 1225447879 /nfs/dbraw/zinc/44/78/79/1225447879.db2.gz SNSQCNKXXOQFKC-SYJBPTKTSA-N 1 3 363.502 0.807 20 0 FCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701528 1225447884 /nfs/dbraw/zinc/44/78/84/1225447884.db2.gz SNSQCNKXXOQFKC-SYJBPTKTSA-N 1 3 363.502 0.807 20 0 FCADHO COCC[N@@H+]1CCC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276356966 1213446458 /nfs/dbraw/zinc/44/64/58/1213446458.db2.gz CMFNUGFZTZCWRN-HXUWFJFHSA-N 1 3 366.550 0.975 20 0 FCADHO COCC[N@H+]1CCC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276356966 1213446461 /nfs/dbraw/zinc/44/64/61/1213446461.db2.gz CMFNUGFZTZCWRN-HXUWFJFHSA-N 1 3 366.550 0.975 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000959655163 1213486323 /nfs/dbraw/zinc/48/63/23/1213486323.db2.gz RSHHEBBAMZAGPP-GVDBMIGSSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001221771791 1225475738 /nfs/dbraw/zinc/47/57/38/1225475738.db2.gz HBUILHYCCLYTJG-IXDOHACOSA-N 1 3 361.490 0.119 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1)N(C)C ZINC000960575355 1213827105 /nfs/dbraw/zinc/82/71/05/1213827105.db2.gz IDBUZZQVZDRJRO-IXDOHACOSA-N 1 3 366.506 0.107 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CCC[C@@H]2C)C3)CC[N@@H+]1C ZINC001019070595 1214190070 /nfs/dbraw/zinc/19/00/70/1214190070.db2.gz VEULSCLKMLMOCT-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CCC[C@@H]2C)C3)CC[N@H+]1C ZINC001019070595 1214190075 /nfs/dbraw/zinc/19/00/75/1214190075.db2.gz VEULSCLKMLMOCT-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C2CC2)N(C)C)C3)CC[N@@H+]1C ZINC001019070142 1214190376 /nfs/dbraw/zinc/19/03/76/1214190376.db2.gz APWWYRHAVQARTA-DJIMGWMZSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H](C2CC2)N(C)C)C3)CC[N@H+]1C ZINC001019070142 1214190383 /nfs/dbraw/zinc/19/03/83/1214190383.db2.gz APWWYRHAVQARTA-DJIMGWMZSA-N 1 3 362.518 0.728 20 0 FCADHO CC(C)[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019070353 1214190925 /nfs/dbraw/zinc/19/09/25/1214190925.db2.gz KEHVXZRVRPRJSD-ZACQAIPSSA-N 1 3 364.534 0.974 20 0 FCADHO CC(C)[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019070353 1214190927 /nfs/dbraw/zinc/19/09/27/1214190927.db2.gz KEHVXZRVRPRJSD-ZACQAIPSSA-N 1 3 364.534 0.974 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961665610 1214261630 /nfs/dbraw/zinc/26/16/30/1214261630.db2.gz ZUJGOOZJUISDHT-UYTYNIKBSA-N 1 3 364.534 0.830 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1)N(C)C ZINC000961665610 1214261633 /nfs/dbraw/zinc/26/16/33/1214261633.db2.gz ZUJGOOZJUISDHT-UYTYNIKBSA-N 1 3 364.534 0.830 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(CCn2cncn2)C3)CC[N@@H+]1C ZINC001040211803 1214485231 /nfs/dbraw/zinc/48/52/31/1214485231.db2.gz ZTNJPWBUYSTRMQ-ZHALLVOQSA-N 1 3 360.506 0.933 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(CCn2cncn2)C3)CC[N@H+]1C ZINC001040211803 1214485236 /nfs/dbraw/zinc/48/52/36/1214485236.db2.gz ZTNJPWBUYSTRMQ-ZHALLVOQSA-N 1 3 360.506 0.933 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045943 1225588787 /nfs/dbraw/zinc/58/87/87/1225588787.db2.gz YDYDHWBGZVHLPT-ZIFCJYIRSA-N 1 3 361.486 0.902 20 0 FCADHO CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)CC2)C1=O ZINC001050524421 1216331640 /nfs/dbraw/zinc/33/16/40/1216331640.db2.gz CAPXOQVXXSJIPW-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CC[C@H](N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)CC2)C1=O ZINC001050524421 1216331648 /nfs/dbraw/zinc/33/16/48/1216331648.db2.gz CAPXOQVXXSJIPW-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151847 1225683420 /nfs/dbraw/zinc/68/34/20/1225683420.db2.gz XSVVXKPSOVUIFS-PBIMCDDKSA-N 1 3 363.502 0.809 20 0 FCADHO COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151847 1225683424 /nfs/dbraw/zinc/68/34/24/1225683424.db2.gz XSVVXKPSOVUIFS-PBIMCDDKSA-N 1 3 363.502 0.809 20 0 FCADHO CCCN(C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068939647 1216770449 /nfs/dbraw/zinc/77/04/49/1216770449.db2.gz GGKCRBDGWGTGGD-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CCCN(C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068939647 1216770451 /nfs/dbraw/zinc/77/04/51/1216770451.db2.gz GGKCRBDGWGTGGD-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CC(C)NC(=O)NCCN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223248355 1225694045 /nfs/dbraw/zinc/69/40/45/1225694045.db2.gz JEMHIGFJEVMRSM-NVXWUHKLSA-N 1 3 367.538 0.862 20 0 FCADHO CC(C)NC(=O)NCCN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248355 1225694053 /nfs/dbraw/zinc/69/40/53/1225694053.db2.gz JEMHIGFJEVMRSM-NVXWUHKLSA-N 1 3 367.538 0.862 20 0 FCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1)C12CCC[NH+](CCC1)C2 ZINC001069955612 1216865691 /nfs/dbraw/zinc/86/56/91/1216865691.db2.gz DOJCXCDJCOHSBV-SJORKVTESA-N 1 3 358.490 0.906 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)CC1 ZINC001223387244 1225702557 /nfs/dbraw/zinc/70/25/57/1225702557.db2.gz CINZKKRSTGPWMF-CVEARBPZSA-N 1 3 363.506 0.276 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001096344688 1218257215 /nfs/dbraw/zinc/25/72/15/1218257215.db2.gz RINAOYZOCLXLRJ-RANZSIQMSA-N 1 3 358.486 0.949 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001096344688 1218257218 /nfs/dbraw/zinc/25/72/18/1218257218.db2.gz RINAOYZOCLXLRJ-RANZSIQMSA-N 1 3 358.486 0.949 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001096356870 1218263206 /nfs/dbraw/zinc/26/32/06/1218263206.db2.gz YLDVZQNYMISGNT-NCOADZHNSA-N 1 3 359.474 0.061 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001048920324 1218341132 /nfs/dbraw/zinc/34/11/32/1218341132.db2.gz MPYQTBUKNMNCNB-WCVJEAGWSA-N 1 3 368.522 0.087 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001048920324 1218341138 /nfs/dbraw/zinc/34/11/38/1218341138.db2.gz MPYQTBUKNMNCNB-WCVJEAGWSA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CN(CC)CC)C[C@@H]2O)CC[N@@H+]1C ZINC001048922945 1218342339 /nfs/dbraw/zinc/34/23/39/1218342339.db2.gz DRMPAEFHDKLHMQ-YVSFHVDLSA-N 1 3 368.522 0.089 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(C(=O)CN(CC)CC)C[C@@H]2O)CC[N@H+]1C ZINC001048922945 1218342348 /nfs/dbraw/zinc/34/23/48/1218342348.db2.gz DRMPAEFHDKLHMQ-YVSFHVDLSA-N 1 3 368.522 0.089 20 0 FCADHO CCN(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049019894 1218365429 /nfs/dbraw/zinc/36/54/29/1218365429.db2.gz WSWPVAGUNHSTMV-WCVJEAGWSA-N 1 3 368.522 0.087 20 0 FCADHO CCN(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001049019894 1218365435 /nfs/dbraw/zinc/36/54/35/1218365435.db2.gz WSWPVAGUNHSTMV-WCVJEAGWSA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1O)N(C)C ZINC001049577888 1218493788 /nfs/dbraw/zinc/49/37/88/1218493788.db2.gz JTESJZHYLZGWEN-QEOTZNIISA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O)N(C)C ZINC001049577888 1218493793 /nfs/dbraw/zinc/49/37/93/1218493793.db2.gz JTESJZHYLZGWEN-QEOTZNIISA-N 1 3 368.522 0.087 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001225846178 1225826339 /nfs/dbraw/zinc/82/63/39/1225826339.db2.gz DRXOEJOHUFOMMW-NPYXIHBLSA-N 1 3 365.522 0.854 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001225846178 1225826343 /nfs/dbraw/zinc/82/63/43/1225826343.db2.gz DRXOEJOHUFOMMW-NPYXIHBLSA-N 1 3 365.522 0.854 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800396 1225854611 /nfs/dbraw/zinc/85/46/11/1225854611.db2.gz KKUJOYDOCNVDDC-FMKPAKJESA-N 1 3 367.494 0.189 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000804058953 1219111800 /nfs/dbraw/zinc/11/18/00/1219111800.db2.gz HAVPZHMLZFKBSI-HZPDHXFCSA-N 1 3 366.506 0.204 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000804060027 1219113005 /nfs/dbraw/zinc/11/30/05/1219113005.db2.gz OWPRIEYPKVTPKS-HOTGVXAUSA-N 1 3 366.506 0.204 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804058231 1219113679 /nfs/dbraw/zinc/11/36/79/1219113679.db2.gz UFZSGOUXSCWJJU-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3ccc4c[nH]nc4c3)C2)OCC1=O ZINC001277228380 1225880642 /nfs/dbraw/zinc/88/06/42/1225880642.db2.gz MPHRPYKKEHIHEF-IBGZPJMESA-N 1 3 357.458 0.928 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070542949 1219460247 /nfs/dbraw/zinc/46/02/47/1219460247.db2.gz CBSUSQAFUROEBR-JQHSSLGASA-N 1 3 363.506 0.559 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2NCc2cnn(C)c2)c1 ZINC001070563928 1219470778 /nfs/dbraw/zinc/47/07/78/1219470778.db2.gz LYLRUUHUROWKSJ-XYJFISCASA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cnn(C)c2)c1 ZINC001070563928 1219470781 /nfs/dbraw/zinc/47/07/81/1219470781.db2.gz LYLRUUHUROWKSJ-XYJFISCASA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001070718967 1219541563 /nfs/dbraw/zinc/54/15/63/1219541563.db2.gz MZGFVSXQQSDIDM-DJIMGWMZSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001070718967 1219541567 /nfs/dbraw/zinc/54/15/67/1219541567.db2.gz MZGFVSXQQSDIDM-DJIMGWMZSA-N 1 3 371.489 0.190 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3cc4c[nH]ccc-4n3)C2)OCC1=O ZINC001277283473 1225906064 /nfs/dbraw/zinc/90/60/64/1225906064.db2.gz QTDGBAHNJJFRQM-LJQANCHMSA-N 1 3 357.458 0.928 20 0 FCADHO NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001071069286 1219599700 /nfs/dbraw/zinc/59/97/00/1219599700.db2.gz ZCPDFFYAXUKMGE-WBVHZDCISA-N 1 3 364.490 0.086 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1 ZINC001071091701 1219604224 /nfs/dbraw/zinc/60/42/24/1219604224.db2.gz REHRPAAJSWDGCG-YJLNNSPDSA-N 1 3 362.474 0.974 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071106615 1219608415 /nfs/dbraw/zinc/60/84/15/1219608415.db2.gz MBGWPAZSDDXCRT-NUJGCVRESA-N 1 3 366.506 0.332 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC001072754899 1219621821 /nfs/dbraw/zinc/62/18/21/1219621821.db2.gz JHLHCRNKAVOCIK-JKSUJKDBSA-N 1 3 363.506 0.276 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCN2CCNC2=O)C3)CC[N@H+]1C ZINC001072754899 1219621824 /nfs/dbraw/zinc/62/18/24/1219621824.db2.gz JHLHCRNKAVOCIK-JKSUJKDBSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCc3cnn(C)c3)CCCO2)CC[N@@H+]1C ZINC001073611270 1219673130 /nfs/dbraw/zinc/67/31/30/1219673130.db2.gz SCHAQCAMZFITCY-BPQIPLTHSA-N 1 3 363.506 0.510 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCc3cnn(C)c3)CCCO2)CC[N@H+]1C ZINC001073611270 1219673132 /nfs/dbraw/zinc/67/31/32/1219673132.db2.gz SCHAQCAMZFITCY-BPQIPLTHSA-N 1 3 363.506 0.510 20 0 FCADHO O=C(N[C@]12CCC[C@H]1CN(CCn1cncn1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001098842277 1219838572 /nfs/dbraw/zinc/83/85/72/1219838572.db2.gz ZMVAFBXGASNYIS-LNLFQRSKSA-N 1 3 358.490 0.591 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)C1 ZINC001099122444 1219921141 /nfs/dbraw/zinc/92/11/41/1219921141.db2.gz UCSIBYOAXBMBAS-UWVAXJGDSA-N 1 3 362.518 0.921 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)C1 ZINC001099122444 1219921145 /nfs/dbraw/zinc/92/11/45/1219921145.db2.gz UCSIBYOAXBMBAS-UWVAXJGDSA-N 1 3 362.518 0.921 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001228602086 1225935950 /nfs/dbraw/zinc/93/59/50/1225935950.db2.gz CGTNCSSCSRYKJR-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001099496153 1220014453 /nfs/dbraw/zinc/01/44/53/1220014453.db2.gz DFCRIIRQIFQOHA-FTRWYGJKSA-N 1 3 362.518 0.825 20 0 FCADHO CCn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)[C@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099535649 1220026494 /nfs/dbraw/zinc/02/64/94/1220026494.db2.gz QTASZXANEFJFPR-BXWFABGCSA-N 1 3 360.506 0.968 20 0 FCADHO CCn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)[C@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099535649 1220026497 /nfs/dbraw/zinc/02/64/97/1220026497.db2.gz QTASZXANEFJFPR-BXWFABGCSA-N 1 3 360.506 0.968 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)CC1 ZINC001101341284 1220293904 /nfs/dbraw/zinc/29/39/04/1220293904.db2.gz GJXMRPWHOSONPY-APWZRJJASA-N 1 3 362.518 0.635 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443255 1220347361 /nfs/dbraw/zinc/34/73/61/1220347361.db2.gz BIBPMHYUWCNMCF-GJYPPUQNSA-N 1 3 360.506 0.888 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101443255 1220347367 /nfs/dbraw/zinc/34/73/67/1220347367.db2.gz BIBPMHYUWCNMCF-GJYPPUQNSA-N 1 3 360.506 0.888 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102070841 1220486494 /nfs/dbraw/zinc/48/64/94/1220486494.db2.gz VEWBNOHYERHZAR-NUJGCVRESA-N 1 3 368.522 0.116 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102104344 1220497190 /nfs/dbraw/zinc/49/71/90/1220497190.db2.gz QAXXIRUTMLBVFG-NVXWUHKLSA-N 1 3 370.538 0.554 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102104344 1220497196 /nfs/dbraw/zinc/49/71/96/1220497196.db2.gz QAXXIRUTMLBVFG-NVXWUHKLSA-N 1 3 370.538 0.554 20 0 FCADHO COCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171265 1220533043 /nfs/dbraw/zinc/53/30/43/1220533043.db2.gz OYWMIQMQTAAPLM-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO COCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171265 1220533057 /nfs/dbraw/zinc/53/30/57/1220533057.db2.gz OYWMIQMQTAAPLM-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488843 1220651960 /nfs/dbraw/zinc/65/19/60/1220651960.db2.gz KNEDZZSDGSDSHY-HZPDHXFCSA-N 1 3 366.506 0.014 20 0 FCADHO COc1cc(CN2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)ccn1 ZINC001102511489 1220669999 /nfs/dbraw/zinc/66/99/99/1220669999.db2.gz ZCUHBZGNJXNPFZ-NVXWUHKLSA-N 1 3 364.490 0.853 20 0 FCADHO CC(C)CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513911 1220673630 /nfs/dbraw/zinc/67/36/30/1220673630.db2.gz GKRHDMRWAWOGGN-IXDOHACOSA-N 1 3 370.538 0.409 20 0 FCADHO CCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514102 1220673766 /nfs/dbraw/zinc/67/37/66/1220673766.db2.gz MTYHTMXUFYHEOH-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521130 1220678490 /nfs/dbraw/zinc/67/84/90/1220678490.db2.gz RWBVLVIBTBEOKK-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102783074 1220781966 /nfs/dbraw/zinc/78/19/66/1220781966.db2.gz UUEMGVJTBXHORF-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102783074 1220781972 /nfs/dbraw/zinc/78/19/72/1220781972.db2.gz UUEMGVJTBXHORF-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993655 1220817394 /nfs/dbraw/zinc/81/73/94/1220817394.db2.gz DKHYUSWALAUGAP-KBAYOESNSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655832 1220930783 /nfs/dbraw/zinc/93/07/83/1220930783.db2.gz DLUKSOCWINUHFU-QLFBSQMISA-N 1 3 369.510 0.376 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779140 1221105042 /nfs/dbraw/zinc/10/50/42/1221105042.db2.gz WLULCUCJXDNPLP-RFUYNDQBSA-N 1 3 362.474 0.247 20 0 FCADHO CN(CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001111779140 1221105045 /nfs/dbraw/zinc/10/50/45/1221105045.db2.gz WLULCUCJXDNPLP-RFUYNDQBSA-N 1 3 362.474 0.247 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CCC1=O)C2 ZINC001111854842 1221137705 /nfs/dbraw/zinc/13/77/05/1221137705.db2.gz VJKYRDWKBFFDSO-KXBFYZLASA-N 1 3 364.490 0.448 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCCC1=O)C2 ZINC001111939639 1221179983 /nfs/dbraw/zinc/17/99/83/1221179983.db2.gz KOILZGIJPOCEHR-LPHOPBHVSA-N 1 3 366.506 0.158 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801759 1226035439 /nfs/dbraw/zinc/03/54/39/1226035439.db2.gz VJMHAVSRFNOQAG-IAGOWNOFSA-N 1 3 370.538 0.888 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001117311820 1221514908 /nfs/dbraw/zinc/51/49/08/1221514908.db2.gz OXONFOVVFRGRHW-IAGOWNOFSA-N 1 3 367.538 0.119 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCc2ccco2)C1 ZINC001230138020 1226057013 /nfs/dbraw/zinc/05/70/13/1226057013.db2.gz CEBFWGDTOZJNNE-USXIJHARSA-N 1 3 362.474 0.865 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCc2ccco2)C1 ZINC001230138020 1226057020 /nfs/dbraw/zinc/05/70/20/1226057020.db2.gz CEBFWGDTOZJNNE-USXIJHARSA-N 1 3 362.474 0.865 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001230284571 1226071866 /nfs/dbraw/zinc/07/18/66/1226071866.db2.gz LJJLRYKNGPHUOI-GVDBMIGSSA-N 1 3 368.522 0.639 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CC1=O ZINC001120754689 1222119042 /nfs/dbraw/zinc/11/90/42/1222119042.db2.gz DYTGBKXQQGUJNW-AHRSYUTCSA-N 1 3 362.518 0.731 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)CC1=O ZINC001120754689 1222119048 /nfs/dbraw/zinc/11/90/48/1222119048.db2.gz DYTGBKXQQGUJNW-AHRSYUTCSA-N 1 3 362.518 0.731 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001121927901 1222224912 /nfs/dbraw/zinc/22/49/12/1222224912.db2.gz IVNQWXVXPJCQMR-UHFFFAOYSA-N 1 3 358.446 0.670 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001122069789 1222238691 /nfs/dbraw/zinc/23/86/91/1222238691.db2.gz GALDXTLWWGNOPR-GVDBMIGSSA-N 1 3 363.506 0.606 20 0 FCADHO CN1CCN(C2CC[NH+](C3CCN(C[C@H]4CCC(=O)N4)CC3)CC2)CC1 ZINC001202899539 1222541512 /nfs/dbraw/zinc/54/15/12/1222541512.db2.gz DCMZDHZXCWXBSQ-QGZVFWFLSA-N 1 3 363.550 0.441 20 0 FCADHO C[C@@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1C[NH3+] ZINC000842478782 1222848098 /nfs/dbraw/zinc/84/80/98/1222848098.db2.gz PBXZVWMUUFHQSP-ZIAGYGMSSA-N 1 3 365.478 0.579 20 0 FCADHO CN1C[C@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)nc3)C2)OCC1=O ZINC001277698549 1226161776 /nfs/dbraw/zinc/16/17/76/1226161776.db2.gz RJEIPWQMWLSLLM-IBGZPJMESA-N 1 3 359.474 0.267 20 0 FCADHO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CN(C)C(=O)CO4)cn2)CC1 ZINC001277698549 1226161779 /nfs/dbraw/zinc/16/17/79/1226161779.db2.gz RJEIPWQMWLSLLM-IBGZPJMESA-N 1 3 359.474 0.267 20 0 FCADHO CN1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CN(C)C(=O)CO4)cn2)CC1 ZINC001277698549 1226161784 /nfs/dbraw/zinc/16/17/84/1226161784.db2.gz RJEIPWQMWLSLLM-IBGZPJMESA-N 1 3 359.474 0.267 20 0 FCADHO N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C1Cc2ccccc2C1 ZINC001157371065 1223075584 /nfs/dbraw/zinc/07/55/84/1223075584.db2.gz NRFMAYPDCXGZMB-OALUTQOASA-N 1 3 372.513 0.965 20 0 FCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)CC1 ZINC001157448920 1223076705 /nfs/dbraw/zinc/07/67/05/1223076705.db2.gz OVHVEUJHYKEGKW-CYBMUJFWSA-N 1 3 371.478 0.709 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H](c1cc2ccccc2o1)N1CC[C@@H]([NH3+])C1 ZINC001157721465 1223080973 /nfs/dbraw/zinc/08/09/73/1223080973.db2.gz YAJPZUHQICZTQI-GJYPPUQNSA-N 1 3 372.469 0.954 20 0 FCADHO O=C(c1csc([C@@H]2CCCN2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276914 1223093378 /nfs/dbraw/zinc/09/33/78/1223093378.db2.gz GPZKGSZQPNQQPS-LBPRGKRZSA-N 1 3 373.486 0.894 20 0 FCADHO O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158334800 1223094839 /nfs/dbraw/zinc/09/48/39/1223094839.db2.gz HWCLLOTVMDLDAT-FUHWJXTLSA-N 1 3 364.453 0.598 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158671186 1223104896 /nfs/dbraw/zinc/10/48/96/1223104896.db2.gz DUGGKROPMQBCEJ-WNRNVDISSA-N 1 3 372.469 0.166 20 0 FCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)[C@H]2C ZINC001159632816 1223131259 /nfs/dbraw/zinc/13/12/59/1223131259.db2.gz AIRXYZKAGDLINJ-NXNVCVFFSA-N 1 3 360.506 0.576 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677533 1223133587 /nfs/dbraw/zinc/13/35/87/1223133587.db2.gz LJQUMLJFAUPCCG-INIZCTEOSA-N 1 3 371.485 0.088 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159697377 1223134506 /nfs/dbraw/zinc/13/45/06/1223134506.db2.gz NGBCXWNFKVTEDC-LTIDMASMSA-N 1 3 372.469 0.275 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159929959 1223140126 /nfs/dbraw/zinc/14/01/26/1223140126.db2.gz MCNURIWVUKWIAB-RCDNUKIMSA-N 1 3 362.474 0.946 20 0 FCADHO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]21 ZINC001160219191 1223150070 /nfs/dbraw/zinc/15/00/70/1223150070.db2.gz VMVIPMVEMKRPHH-NXOAAHMSSA-N 1 3 359.474 0.621 20 0 FCADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CCC2 ZINC001160323656 1223155108 /nfs/dbraw/zinc/15/51/08/1223155108.db2.gz NIRJIZAPJDQFPM-HNNXBMFYSA-N 1 3 364.494 0.311 20 0 FCADHO C[C@@H]1C(=O)NCCN1C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160450314 1223160576 /nfs/dbraw/zinc/16/05/76/1223160576.db2.gz CZXJWTUTVLYAGS-HGHGUNKESA-N 1 3 370.497 0.835 20 0 FCADHO CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H](N)CCC[NH3+])cn1 ZINC001160485009 1223162637 /nfs/dbraw/zinc/16/26/37/1223162637.db2.gz MZYFVVDJLHTPRT-QGZVFWFLSA-N 1 3 361.494 0.848 20 0 FCADHO O=C(c1c[nH]c2ccccc12)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160536784 1223164084 /nfs/dbraw/zinc/16/40/84/1223164084.db2.gz ABKPZZIGMSOGOA-INIZCTEOSA-N 1 3 367.453 0.261 20 0 FCADHO N[C@H](C(=O)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001160537212 1223164123 /nfs/dbraw/zinc/16/41/23/1223164123.db2.gz IPTXEULQIRPAOM-SFHVURJKSA-N 1 3 369.469 0.779 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880286 1223178668 /nfs/dbraw/zinc/17/86/68/1223178668.db2.gz XBMSQLYVMNNMLA-OAHLLOKOSA-N 1 3 370.453 0.944 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880286 1223178670 /nfs/dbraw/zinc/17/86/70/1223178670.db2.gz XBMSQLYVMNNMLA-OAHLLOKOSA-N 1 3 370.453 0.944 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160937133 1223181270 /nfs/dbraw/zinc/18/12/70/1223181270.db2.gz UBTGOFXGXXWUIM-KRWDZBQOSA-N 1 3 361.490 0.862 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010083 1223183314 /nfs/dbraw/zinc/18/33/14/1223183314.db2.gz GJJZYEOHVKRZHF-MRXNPFEDSA-N 1 3 370.453 0.944 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010083 1223183317 /nfs/dbraw/zinc/18/33/17/1223183317.db2.gz GJJZYEOHVKRZHF-MRXNPFEDSA-N 1 3 370.453 0.944 20 0 FCADHO CN(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)C1(C)CC[NH2+]CC1 ZINC001161068949 1223184458 /nfs/dbraw/zinc/18/44/58/1223184458.db2.gz YSEADUNSMSBJOY-HNNXBMFYSA-N 1 3 361.490 0.910 20 0 FCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377870 1223197314 /nfs/dbraw/zinc/19/73/14/1223197314.db2.gz IZPXHXAKFJWQEX-OALUTQOASA-N 1 3 360.502 0.815 20 0 FCADHO N[C@H](C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)C1CC[NH2+]CC1 ZINC001161458251 1223199614 /nfs/dbraw/zinc/19/96/14/1223199614.db2.gz ZUXDHVGNDSPXIA-IBGZPJMESA-N 1 3 356.470 0.791 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H](N)c1ccc(OC)nc1)CC2 ZINC001161480559 1223200794 /nfs/dbraw/zinc/20/07/94/1223200794.db2.gz UVLVWJFILCYVHV-IYOUNJFTSA-N 1 3 362.430 0.234 20 0 FCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162917434 1223221686 /nfs/dbraw/zinc/22/16/86/1223221686.db2.gz OUWYUGFISGDUBA-AEGPPILISA-N 1 3 366.462 0.325 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070590 1223513306 /nfs/dbraw/zinc/51/33/06/1223513306.db2.gz NOYNMIMTVATUHD-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070590 1223513309 /nfs/dbraw/zinc/51/33/09/1223513309.db2.gz NOYNMIMTVATUHD-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952872 1223587080 /nfs/dbraw/zinc/58/70/80/1223587080.db2.gz WCCWCVAAZUNYKJ-PZJWPPBQSA-N 1 3 370.497 0.931 20 0 FCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952872 1223587086 /nfs/dbraw/zinc/58/70/86/1223587086.db2.gz WCCWCVAAZUNYKJ-PZJWPPBQSA-N 1 3 370.497 0.931 20 0 FCADHO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001211054166 1223723003 /nfs/dbraw/zinc/72/30/03/1223723003.db2.gz IPYYYQFDHTUSBX-IIDMSEBBSA-N 1 3 363.506 0.633 20 0 FCADHO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001211054166 1223723005 /nfs/dbraw/zinc/72/30/05/1223723005.db2.gz IPYYYQFDHTUSBX-IIDMSEBBSA-N 1 3 363.506 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001214863439 1223949234 /nfs/dbraw/zinc/94/92/34/1223949234.db2.gz NRYIHCGUDVKIKO-HLLBOEOZSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215423240 1223998846 /nfs/dbraw/zinc/99/88/46/1223998846.db2.gz CTYXAZBMSKZBME-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CCOCC3)C2)C1 ZINC001215544528 1224005584 /nfs/dbraw/zinc/00/55/84/1224005584.db2.gz ZBKIBBFUAKQFKI-BFYDXBDKSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001215567998 1224006660 /nfs/dbraw/zinc/00/66/60/1224006660.db2.gz JTYOPSCDLMNDEV-HUUCEWRRSA-N 1 3 366.506 0.550 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216002504 1224029622 /nfs/dbraw/zinc/02/96/22/1224029622.db2.gz SCMGKOKAMQLLSU-SOLBZPMBSA-N 1 3 371.522 0.321 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216511170 1224053383 /nfs/dbraw/zinc/05/33/83/1224053383.db2.gz KXMPNCRGBKMETF-ZIAGYGMSSA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001216754536 1224069047 /nfs/dbraw/zinc/06/90/47/1224069047.db2.gz ZTZKXIRQFBDSIF-DJIMGWMZSA-N 1 3 359.474 0.086 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001216754536 1224069049 /nfs/dbraw/zinc/06/90/49/1224069049.db2.gz ZTZKXIRQFBDSIF-DJIMGWMZSA-N 1 3 359.474 0.086 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216844823 1224078455 /nfs/dbraw/zinc/07/84/55/1224078455.db2.gz KPENJXMXOVHJEK-ZACQAIPSSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216854077 1224078914 /nfs/dbraw/zinc/07/89/14/1224078914.db2.gz SEKOKVAZIAVJMJ-QLFBSQMISA-N 1 3 369.510 0.386 20 0 FCADHO CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853400 1224079131 /nfs/dbraw/zinc/07/91/31/1224079131.db2.gz ABLKGXNRAFQMKQ-IAGOWNOFSA-N 1 3 370.538 0.694 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504231 1245501557 /nfs/dbraw/zinc/50/15/57/1245501557.db2.gz VPALWRPWDFEODL-MRXNPFEDSA-N 1 3 359.474 0.502 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000917085096 1245548723 /nfs/dbraw/zinc/54/87/23/1245548723.db2.gz XBDWSIFVCPTJOW-IRXDYDNUSA-N 1 3 357.502 0.918 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000944396020 1247548161 /nfs/dbraw/zinc/54/81/61/1247548161.db2.gz DZYJPZGQEFAMPJ-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000944396020 1247548170 /nfs/dbraw/zinc/54/81/70/1247548170.db2.gz DZYJPZGQEFAMPJ-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC001327811321 1265432475 /nfs/dbraw/zinc/43/24/75/1265432475.db2.gz DGDKFBCMWGMPPD-KRWDZBQOSA-N 1 3 360.458 0.714 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001328188877 1265499171 /nfs/dbraw/zinc/49/91/71/1265499171.db2.gz ADOCLKLSQDYCFY-OAHLLOKOSA-N 1 3 363.510 0.206 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)c2)CC1 ZINC001328581781 1265582536 /nfs/dbraw/zinc/58/25/36/1265582536.db2.gz WFUYVEQYCRARBB-LJQANCHMSA-N 1 3 360.502 0.819 20 0 FCADHO O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998566584 1251913586 /nfs/dbraw/zinc/91/35/86/1251913586.db2.gz LHMYJDLZLKXTBM-IKGGRYGDSA-N 1 3 360.502 0.959 20 0 FCADHO CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC000998654556 1251941878 /nfs/dbraw/zinc/94/18/78/1251941878.db2.gz LAIYJHOFPVKSGC-QZWWFDLISA-N 1 3 362.518 0.917 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001328837819 1265623246 /nfs/dbraw/zinc/62/32/46/1265623246.db2.gz SHSJDCAPHXOSHT-IXDOHACOSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001328837819 1265623255 /nfs/dbraw/zinc/62/32/55/1265623255.db2.gz SHSJDCAPHXOSHT-IXDOHACOSA-N 1 3 364.490 0.099 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392384 1253312407 /nfs/dbraw/zinc/31/24/07/1253312407.db2.gz TXJBQABFHJYJRH-VQHPVUNQSA-N 1 3 360.502 0.815 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN([C@@H]4CCN(C)C4=O)C3)CC2)CC[N@@H+]1C ZINC001035187532 1254019398 /nfs/dbraw/zinc/01/93/98/1254019398.db2.gz ZMXZBCNNADMIIB-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN([C@@H]4CCN(C)C4=O)C3)CC2)CC[N@H+]1C ZINC001035187532 1254019412 /nfs/dbraw/zinc/01/94/12/1254019412.db2.gz ZMXZBCNNADMIIB-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001065212471 1254494214 /nfs/dbraw/zinc/49/42/14/1254494214.db2.gz NLSCDDVUYSUXPU-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001065212471 1254494239 /nfs/dbraw/zinc/49/42/39/1254494239.db2.gz NLSCDDVUYSUXPU-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001065411657 1254531420 /nfs/dbraw/zinc/53/14/20/1254531420.db2.gz YZSBZIVRAVQWPE-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001065411657 1254531427 /nfs/dbraw/zinc/53/14/27/1254531427.db2.gz YZSBZIVRAVQWPE-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CCCN(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080930260 1256101468 /nfs/dbraw/zinc/10/14/68/1256101468.db2.gz QCTKZKNTGPEPGN-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080930260 1256101469 /nfs/dbraw/zinc/10/14/69/1256101469.db2.gz QCTKZKNTGPEPGN-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080934953 1256103278 /nfs/dbraw/zinc/10/32/78/1256103278.db2.gz HAGRRAFDBYAYLZ-UKPHBRMFSA-N 1 3 356.474 0.857 20 0 FCADHO C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080934953 1256103281 /nfs/dbraw/zinc/10/32/81/1256103281.db2.gz HAGRRAFDBYAYLZ-UKPHBRMFSA-N 1 3 356.474 0.857 20 0 FCADHO O=C(N1C[C@@H](c2ccccc2)[C@H](N[C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001081215936 1256207426 /nfs/dbraw/zinc/20/74/26/1256207426.db2.gz XNKVKJWZGJOXGI-RCCFBDPRSA-N 1 3 368.481 0.555 20 0 FCADHO CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001082057768 1256514622 /nfs/dbraw/zinc/51/46/22/1256514622.db2.gz CKKFFFKTKBVCRH-KZNAEPCWSA-N 1 3 369.506 0.480 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001082057768 1256514631 /nfs/dbraw/zinc/51/46/31/1256514631.db2.gz CKKFFFKTKBVCRH-KZNAEPCWSA-N 1 3 369.506 0.480 20 0 FCADHO CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138264 1256555077 /nfs/dbraw/zinc/55/50/77/1256555077.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 1 3 363.506 0.510 20 0 FCADHO CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138264 1256555083 /nfs/dbraw/zinc/55/50/83/1256555083.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 1 3 363.506 0.510 20 0 FCADHO CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC001082138264 1256555087 /nfs/dbraw/zinc/55/50/87/1256555087.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 1 3 363.506 0.510 20 0 FCADHO CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC001082138264 1256555093 /nfs/dbraw/zinc/55/50/93/1256555093.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 1 3 363.506 0.510 20 0 FCADHO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1C ZINC001082702739 1256994063 /nfs/dbraw/zinc/99/40/63/1256994063.db2.gz FXFLQAYKQDZYML-BRWVUGGUSA-N 1 3 363.506 0.949 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cc1=O ZINC001082720135 1257009487 /nfs/dbraw/zinc/00/94/87/1257009487.db2.gz HXOUTYRGDNVHIA-CZUORRHYSA-N 1 3 363.458 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082742427 1257024165 /nfs/dbraw/zinc/02/41/65/1257024165.db2.gz FJCMGWCACSANFF-CLCXKQKWSA-N 1 3 368.497 0.868 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001083148701 1257403576 /nfs/dbraw/zinc/40/35/76/1257403576.db2.gz BAGFBOGFYSMAFF-KZIZELGASA-N 1 3 361.486 0.561 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001083148701 1257403578 /nfs/dbraw/zinc/40/35/78/1257403578.db2.gz BAGFBOGFYSMAFF-KZIZELGASA-N 1 3 361.486 0.561 20 0 FCADHO Cn1ccc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1=O ZINC001084629131 1258209791 /nfs/dbraw/zinc/20/97/91/1258209791.db2.gz GXXFTGUVHRLRRK-QZTJIDSGSA-N 1 3 358.486 0.760 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093032 1258587227 /nfs/dbraw/zinc/58/72/27/1258587227.db2.gz BIOBOWKPWDSXLD-PMPSAXMXSA-N 1 3 362.474 0.010 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093032 1258587233 /nfs/dbraw/zinc/58/72/33/1258587233.db2.gz BIOBOWKPWDSXLD-PMPSAXMXSA-N 1 3 362.474 0.010 20 0 FCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153584 1258665436 /nfs/dbraw/zinc/66/54/36/1258665436.db2.gz BECVPNMGFTXUHI-VYDXJSESSA-N 1 3 366.506 0.141 20 0 FCADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721267 1258819397 /nfs/dbraw/zinc/81/93/97/1258819397.db2.gz KCBHMFHRCKCKFV-ZACQAIPSSA-N 1 3 362.518 0.777 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633167 1258930967 /nfs/dbraw/zinc/93/09/67/1258930967.db2.gz BLCKKSHNJHOEPM-KBAYOESNSA-N 1 3 370.538 0.409 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665237 1258937506 /nfs/dbraw/zinc/93/75/06/1258937506.db2.gz NCEZYRQNOBMOOB-IXDOHACOSA-N 1 3 367.538 0.862 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666709 1258937563 /nfs/dbraw/zinc/93/75/63/1258937563.db2.gz RFHJUXSAOJPDBR-GVDBMIGSSA-N 1 3 367.538 0.720 20 0 FCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106672155 1258938104 /nfs/dbraw/zinc/93/81/04/1258938104.db2.gz HRLROJLFPKLYLT-HZSPNIEDSA-N 1 3 369.510 0.232 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NCc1ccccc1 ZINC001106705008 1258943322 /nfs/dbraw/zinc/94/33/22/1258943322.db2.gz NCGQEHPUVYJFDX-NVXWUHKLSA-N 1 3 369.469 0.953 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001106779511 1258961367 /nfs/dbraw/zinc/96/13/67/1258961367.db2.gz PTEQKJHWCPKGDN-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779553 1258961453 /nfs/dbraw/zinc/96/14/53/1258961453.db2.gz RLPNJLZLTNOZEP-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106910935 1258994627 /nfs/dbraw/zinc/99/46/27/1258994627.db2.gz WERSCTRGNKNXKI-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO CCCC[C@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571701 1259181472 /nfs/dbraw/zinc/18/14/72/1259181472.db2.gz YPYKKNVFXDTVOC-IKGGRYGDSA-N 1 3 368.522 0.483 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCOc2ccccc2)CC[N@@H+]1C ZINC001127643738 1259183264 /nfs/dbraw/zinc/18/32/64/1259183264.db2.gz JKUMRIDWHLOQFA-NVXWUHKLSA-N 1 3 362.474 0.228 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCOc2ccccc2)CC[N@H+]1C ZINC001127643738 1259183268 /nfs/dbraw/zinc/18/32/68/1259183268.db2.gz JKUMRIDWHLOQFA-NVXWUHKLSA-N 1 3 362.474 0.228 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cccc(CNCCO)n3)C2)CC[N@@H+]1C ZINC001128106673 1259193168 /nfs/dbraw/zinc/19/31/68/1259193168.db2.gz BTNSANZBGRPKJG-HYVNUMGLSA-N 1 3 361.490 0.199 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cccc(CNCCO)n3)C2)CC[N@H+]1C ZINC001128106673 1259193171 /nfs/dbraw/zinc/19/31/71/1259193171.db2.gz BTNSANZBGRPKJG-HYVNUMGLSA-N 1 3 361.490 0.199 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204800 1259343576 /nfs/dbraw/zinc/34/35/76/1259343576.db2.gz KEQSTPFPDNEJDM-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CCN(CC)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537638 1259416356 /nfs/dbraw/zinc/41/63/56/1259416356.db2.gz SGKKRINWDPYMQA-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CCN(CC)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537638 1259416357 /nfs/dbraw/zinc/41/63/57/1259416357.db2.gz SGKKRINWDPYMQA-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO O=c1ccc2c(n1CCN1CCOCC1)CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246157462 1259649788 /nfs/dbraw/zinc/64/97/88/1259649788.db2.gz ORDMRELYSZOPIS-GOSISDBHSA-N 1 3 360.502 0.379 20 0 FCADHO COc1ccc(C(=O)N2CCC([NH2+]CCCC[C@H](N)C(N)=O)CC2)cc1 ZINC001246407102 1259651816 /nfs/dbraw/zinc/65/18/16/1259651816.db2.gz WAMDPXMVRYJXOR-KRWDZBQOSA-N 1 3 362.474 0.872 20 0 FCADHO COc1ccc(CN2CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CC2=O)cc1 ZINC001246419453 1259652733 /nfs/dbraw/zinc/65/27/33/1259652733.db2.gz VSPGJMUZCRSFBQ-WBVHZDCISA-N 1 3 362.474 0.759 20 0 FCADHO c1cncc(N2CCC[C@@]3(C2)CN([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709145 1259666113 /nfs/dbraw/zinc/66/61/13/1259666113.db2.gz SDVYSRVBGUIOGA-FXAWDEMLSA-N 1 3 357.502 0.847 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@H]3CC[C@@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738838 1259674097 /nfs/dbraw/zinc/67/40/97/1259674097.db2.gz OPJDZGKJAZAOLN-YYAJDYIMSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@H]3CC[C@@H](C)NC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246738838 1259674103 /nfs/dbraw/zinc/67/41/03/1259674103.db2.gz OPJDZGKJAZAOLN-YYAJDYIMSA-N 1 3 358.490 0.634 20 0 FCADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745171 1259676663 /nfs/dbraw/zinc/67/66/63/1259676663.db2.gz MQYPUTBDAMGKGK-TVKQPGBESA-N 1 3 372.517 0.976 20 0 FCADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745171 1259676665 /nfs/dbraw/zinc/67/66/65/1259676665.db2.gz MQYPUTBDAMGKGK-TVKQPGBESA-N 1 3 372.517 0.976 20 0 FCADHO CN(C)C(=O)[C@]12C[N@@H+]([C@@H]3CCCNC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744805 1259678555 /nfs/dbraw/zinc/67/85/55/1259678555.db2.gz LTTNGVJLRJGOJO-GPMSIDNRSA-N 1 3 358.490 0.588 20 0 FCADHO CN(C)C(=O)[C@]12C[N@H+]([C@@H]3CCCNC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744805 1259678560 /nfs/dbraw/zinc/67/85/60/1259678560.db2.gz LTTNGVJLRJGOJO-GPMSIDNRSA-N 1 3 358.490 0.588 20 0 FCADHO O=C(c1ccco1)N1CCC[C@]2(C1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766037 1259683499 /nfs/dbraw/zinc/68/34/99/1259683499.db2.gz OKCVTUGVPPAAOI-OXQOHEQNSA-N 1 3 374.485 0.681 20 0 FCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762562 1259685125 /nfs/dbraw/zinc/68/51/25/1259685125.db2.gz CRKOVUBSJOZCQY-VGAPYMQISA-N 1 3 361.490 0.627 20 0 FCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762562 1259685133 /nfs/dbraw/zinc/68/51/33/1259685133.db2.gz CRKOVUBSJOZCQY-VGAPYMQISA-N 1 3 361.490 0.627 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246851431 1259690545 /nfs/dbraw/zinc/69/05/45/1259690545.db2.gz GBYXZTUWRXVYGR-LPMFXHHGSA-N 1 3 374.489 0.416 20 0 FCADHO COCC[N@@H+]1CCO[C@@H]2CN(C[C@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637775 1259801150 /nfs/dbraw/zinc/80/11/50/1259801150.db2.gz UXDBIXHFUCXLGL-ZIFCJYIRSA-N 1 3 368.474 0.826 20 0 FCADHO COCC[N@H+]1CCO[C@@H]2CN(C[C@H](O)COCc3ccco3)CC[C@@H]2C1 ZINC001252637775 1259801152 /nfs/dbraw/zinc/80/11/52/1259801152.db2.gz UXDBIXHFUCXLGL-ZIFCJYIRSA-N 1 3 368.474 0.826 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CCN([C@H]2CCOC2)CC1 ZINC001331891264 1266301823 /nfs/dbraw/zinc/30/18/23/1266301823.db2.gz YGNFILPYUALQKB-DLBZAZTESA-N 1 3 366.506 0.698 20 0 FCADHO COC1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001336174007 1260025726 /nfs/dbraw/zinc/02/57/26/1260025726.db2.gz CACGONSXJGPAFP-HNNXBMFYSA-N 1 3 354.495 0.555 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC001331891269 1266302201 /nfs/dbraw/zinc/30/22/01/1266302201.db2.gz YGNFILPYUALQKB-SJORKVTESA-N 1 3 366.506 0.698 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273837 1260063693 /nfs/dbraw/zinc/06/36/93/1260063693.db2.gz VFPKWXWNOBKXEE-CVEARBPZSA-N 1 3 351.495 0.467 20 0 FCADHO C[N@@H+]1CC[C@@](O)(CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC001336793678 1260224897 /nfs/dbraw/zinc/22/48/97/1260224897.db2.gz FOFVLRYMQDXWHA-LJQANCHMSA-N 1 3 360.458 0.798 20 0 FCADHO C[N@H+]1CC[C@@](O)(CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC001336793678 1260224899 /nfs/dbraw/zinc/22/48/99/1260224899.db2.gz FOFVLRYMQDXWHA-LJQANCHMSA-N 1 3 360.458 0.798 20 0 FCADHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001264003905 1260361949 /nfs/dbraw/zinc/36/19/49/1260361949.db2.gz CMJQCVGVGZVYFI-HIFRSBDPSA-N 1 3 367.494 0.130 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCNC(=O)NC(C)C)C[C@H]2C1 ZINC001264654286 1260395478 /nfs/dbraw/zinc/39/54/78/1260395478.db2.gz GISIQDVYQGAYTE-SJORKVTESA-N 1 3 367.538 0.816 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCNC(=O)NC(C)C)C[C@H]2C1 ZINC001264654286 1260395488 /nfs/dbraw/zinc/39/54/88/1260395488.db2.gz GISIQDVYQGAYTE-SJORKVTESA-N 1 3 367.538 0.816 20 0 FCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001337486590 1260413447 /nfs/dbraw/zinc/41/34/47/1260413447.db2.gz XCIHVKLJXNXAFX-XLNGHYISSA-N 1 3 364.490 0.003 20 0 FCADHO COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cn[nH]c4)CC3)[C@H]2C1 ZINC001278488396 1260700054 /nfs/dbraw/zinc/70/00/54/1260700054.db2.gz UAQNBDXOAJJCIL-HOTGVXAUSA-N 1 3 363.462 0.043 20 0 FCADHO COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cn[nH]c4)CC3)[C@H]2C1 ZINC001278488396 1260700056 /nfs/dbraw/zinc/70/00/56/1260700056.db2.gz UAQNBDXOAJJCIL-HOTGVXAUSA-N 1 3 363.462 0.043 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502261 1260880693 /nfs/dbraw/zinc/88/06/93/1260880693.db2.gz PFWNQRJDIGARLK-IKGGRYGDSA-N 1 3 359.474 0.260 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccnc2=O)C1 ZINC001279502261 1260880695 /nfs/dbraw/zinc/88/06/95/1260880695.db2.gz PFWNQRJDIGARLK-IKGGRYGDSA-N 1 3 359.474 0.260 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501291 1260880928 /nfs/dbraw/zinc/88/09/28/1260880928.db2.gz DWNSKUKCJOOBMG-IXDOHACOSA-N 1 3 359.474 0.118 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501291 1260880931 /nfs/dbraw/zinc/88/09/31/1260880931.db2.gz DWNSKUKCJOOBMG-IXDOHACOSA-N 1 3 359.474 0.118 20 0 FCADHO C[C@@H]1C[C@@H]1CN1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825942 1260938516 /nfs/dbraw/zinc/93/85/16/1260938516.db2.gz IBRDXCNQKVEZOI-LUYZLQTOSA-N 1 3 360.462 0.726 20 0 FCADHO Cn1ccnc1NC(=O)C1=NO[C@@H]2CN(CCC3CC[NH+](C)CC3)C[C@H]12 ZINC001280139530 1261014278 /nfs/dbraw/zinc/01/42/78/1261014278.db2.gz BBDROABKESZTMF-LSDHHAIUSA-N 1 3 360.462 0.777 20 0 FCADHO C[NH+]1CCC(CCN2CC[C@@H]3C[C@@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280140497 1261014775 /nfs/dbraw/zinc/01/47/75/1261014775.db2.gz KSWAFDPWZDWHAK-APWZRJJASA-N 1 3 358.490 0.817 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)C1CCC1 ZINC001281967168 1261312962 /nfs/dbraw/zinc/31/29/62/1261312962.db2.gz DVUCELGMPCWCDI-NVXWUHKLSA-N 1 3 362.518 0.872 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472533795 1261472813 /nfs/dbraw/zinc/47/28/13/1261472813.db2.gz BKYGIDMPBVNDBL-FUHWJXTLSA-N 1 3 371.485 0.673 20 0 FCADHO [NH3+]CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001580318261 1278119534 /nfs/dbraw/zinc/11/95/34/1278119534.db2.gz LNHBOOKQJIXNQO-INIZCTEOSA-N 1 3 364.494 0.779 20 0 FCADHO CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001289095881 1262104202 /nfs/dbraw/zinc/10/42/02/1262104202.db2.gz JXAQMJXJNQXQEE-IAGOWNOFSA-N 1 3 366.506 0.035 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696610 1262312327 /nfs/dbraw/zinc/31/23/27/1262312327.db2.gz PGUQDZWYEVOXDW-SJORKVTESA-N 1 3 368.522 0.282 20 0 FCADHO N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001580369314 1278177489 /nfs/dbraw/zinc/17/74/89/1278177489.db2.gz XHRWWAVWJZGGJZ-MOPGFXCFSA-N 1 3 354.454 0.834 20 0 FCADHO N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001580369314 1278177500 /nfs/dbraw/zinc/17/75/00/1278177500.db2.gz XHRWWAVWJZGGJZ-MOPGFXCFSA-N 1 3 354.454 0.834 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001479295803 1263182959 /nfs/dbraw/zinc/18/29/59/1263182959.db2.gz VNMHWSDLTXOEFG-YIYPIFLZSA-N 1 3 365.503 0.906 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001479295803 1263182962 /nfs/dbraw/zinc/18/29/62/1263182962.db2.gz VNMHWSDLTXOEFG-YIYPIFLZSA-N 1 3 365.503 0.906 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001479579043 1263262175 /nfs/dbraw/zinc/26/21/75/1263262175.db2.gz RMOJMXRBJCOJHR-KFWWJZLASA-N 1 3 369.510 0.518 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001479579043 1263262182 /nfs/dbraw/zinc/26/21/82/1263262182.db2.gz RMOJMXRBJCOJHR-KFWWJZLASA-N 1 3 369.510 0.518 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001316596974 1263383785 /nfs/dbraw/zinc/38/37/85/1263383785.db2.gz GWJDNZULUKHVQJ-ZIAGYGMSSA-N 1 3 367.494 0.095 20 0 FCADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001318502032 1263581431 /nfs/dbraw/zinc/58/14/31/1263581431.db2.gz FKKSGIBWMZRZCN-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318662281 1263597767 /nfs/dbraw/zinc/59/77/67/1263597767.db2.gz RYAHRUNMUISPBR-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318662281 1263597772 /nfs/dbraw/zinc/59/77/72/1263597772.db2.gz RYAHRUNMUISPBR-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC001321348432 1263940522 /nfs/dbraw/zinc/94/05/22/1263940522.db2.gz JDFVDOSHMFXCKN-UHFFFAOYSA-N 1 3 367.538 0.071 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](n4cncn4)C3)CC2)CC1 ZINC001321463329 1263966020 /nfs/dbraw/zinc/96/60/20/1263966020.db2.gz NQECNUPIRLPVGE-QGZVFWFLSA-N 1 3 361.494 0.793 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001326592681 1265138456 /nfs/dbraw/zinc/13/84/56/1265138456.db2.gz RESOMRAAYLZRTP-YESZJQIVSA-N 1 3 368.522 0.545 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC001327499264 1265342493 /nfs/dbraw/zinc/34/24/93/1265342493.db2.gz GBWCBYVRCFRDDF-BBRMVZONSA-N 1 3 364.450 0.069 20 0 FCADHO C[C@H](NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001334211942 1266887499 /nfs/dbraw/zinc/88/74/99/1266887499.db2.gz BUCJZASWFMGYOO-JKSUJKDBSA-N 1 3 365.522 0.890 20 0 FCADHO Cc1c[nH]c(CC(N)=O)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001544622134 1267587176 /nfs/dbraw/zinc/58/71/76/1267587176.db2.gz ZKSHZBFPMGMSRB-UHFFFAOYSA-N 1 3 361.490 0.639 20 0 FCADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001546534072 1267654571 /nfs/dbraw/zinc/65/45/71/1267654571.db2.gz PTCQUWUWIYFQRD-LJQANCHMSA-N 1 3 362.522 0.972 20 0 FCADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546534072 1267654581 /nfs/dbraw/zinc/65/45/81/1267654581.db2.gz PTCQUWUWIYFQRD-LJQANCHMSA-N 1 3 362.522 0.972 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC1=O ZINC001549073009 1267799341 /nfs/dbraw/zinc/79/93/41/1267799341.db2.gz AFJUQCRYOFCOCR-GHMZBOCLSA-N 1 3 351.476 0.308 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1=O ZINC001549296711 1267892504 /nfs/dbraw/zinc/89/25/04/1267892504.db2.gz SPVNZKDJOWDAHZ-SQNIBIBYSA-N 1 3 358.486 0.658 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001549348040 1267904094 /nfs/dbraw/zinc/90/40/94/1267904094.db2.gz HUUPNCQYUMZZCQ-IXDOHACOSA-N 1 3 365.522 0.175 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001549348040 1267904100 /nfs/dbraw/zinc/90/41/00/1267904100.db2.gz HUUPNCQYUMZZCQ-IXDOHACOSA-N 1 3 365.522 0.175 20 0 FCADHO O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464271 1267949631 /nfs/dbraw/zinc/94/96/31/1267949631.db2.gz CBWZVLLUTJYJRX-IPMKNSEASA-N 1 3 350.459 0.115 20 0 FCADHO O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC001338464271 1267949634 /nfs/dbraw/zinc/94/96/34/1267949634.db2.gz CBWZVLLUTJYJRX-IPMKNSEASA-N 1 3 350.459 0.115 20 0 FCADHO CN1CCN([C@H]2CC[N@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131049 1268078970 /nfs/dbraw/zinc/07/89/70/1268078970.db2.gz SFDWAQOYNZZEEC-LEWJYISDSA-N 1 3 358.530 0.945 20 0 FCADHO CN1CCN([C@H]2CC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)CC1 ZINC001550131049 1268078983 /nfs/dbraw/zinc/07/89/83/1268078983.db2.gz SFDWAQOYNZZEEC-LEWJYISDSA-N 1 3 358.530 0.945 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001550201835 1268090250 /nfs/dbraw/zinc/09/02/50/1268090250.db2.gz JGWFOFMROJKXTF-HUUCEWRRSA-N 1 3 354.470 0.657 20 0 FCADHO CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486176 1268127785 /nfs/dbraw/zinc/12/77/85/1268127785.db2.gz KENYMCKZBHEERW-QFIAKTPHSA-N 1 3 365.518 0.836 20 0 FCADHO CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486176 1268127787 /nfs/dbraw/zinc/12/77/87/1268127787.db2.gz KENYMCKZBHEERW-QFIAKTPHSA-N 1 3 365.518 0.836 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001339153244 1268177178 /nfs/dbraw/zinc/17/71/78/1268177178.db2.gz PDCCVSRQSADDHS-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001339153244 1268177181 /nfs/dbraw/zinc/17/71/81/1268177181.db2.gz PDCCVSRQSADDHS-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO CC(C)(O)C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001550977645 1268188310 /nfs/dbraw/zinc/18/83/10/1268188310.db2.gz NFQORMBIRPBWIX-GDBMZVCRSA-N 1 3 354.495 0.384 20 0 FCADHO CC(C)(O)C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001550977645 1268188315 /nfs/dbraw/zinc/18/83/15/1268188315.db2.gz NFQORMBIRPBWIX-GDBMZVCRSA-N 1 3 354.495 0.384 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464155 1268257015 /nfs/dbraw/zinc/25/70/15/1268257015.db2.gz CADGOOJMOOGVLN-CVEARBPZSA-N 1 3 354.495 0.555 20 0 FCADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@@H]3C3CC[NH2+]CC3)c2)nn1 ZINC001552275494 1268430182 /nfs/dbraw/zinc/43/01/82/1268430182.db2.gz PLAQSSQJVOXDLI-QZTJIDSGSA-N 1 3 354.458 0.978 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@@]3(O)CCC[NH2+]C3)cc2)CC1 ZINC001340111737 1268438643 /nfs/dbraw/zinc/43/86/43/1268438643.db2.gz HXVGLSUILHUETB-NRFANRHFSA-N 1 3 374.529 0.945 20 0 FCADHO Cc1c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434292 1268462052 /nfs/dbraw/zinc/46/20/52/1268462052.db2.gz IREWHUJSJPDYFA-CVEARBPZSA-N 1 3 362.478 0.494 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001552436109 1268463595 /nfs/dbraw/zinc/46/35/95/1268463595.db2.gz ZZERCMUXBGQWRC-CVEARBPZSA-N 1 3 360.506 0.727 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC001552839942 1268558451 /nfs/dbraw/zinc/55/84/51/1268558451.db2.gz YQEQEFRGSOJDFI-MNOVXSKESA-N 1 3 358.393 0.153 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001552899201 1268563806 /nfs/dbraw/zinc/56/38/06/1268563806.db2.gz SSYMBPKHABPAPE-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO C[N@H+]1CCC[C@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001552899201 1268563817 /nfs/dbraw/zinc/56/38/17/1268563817.db2.gz SSYMBPKHABPAPE-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001341599802 1269103168 /nfs/dbraw/zinc/10/31/68/1269103168.db2.gz NIDXAPLUMDWWNF-GOSISDBHSA-N 1 3 373.501 0.032 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O)N(C)C ZINC001341664220 1269138954 /nfs/dbraw/zinc/13/89/54/1269138954.db2.gz PWMTXVZAHJPAPO-JFIYKMOQSA-N 1 3 368.522 0.137 20 0 FCADHO CN(CCN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC001341697501 1269156679 /nfs/dbraw/zinc/15/66/79/1269156679.db2.gz RPDQHNBJFSVQHS-OAQYLSRUSA-N 1 3 374.529 0.767 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)cc1)[C@H]1CCCN(C)C1 ZINC001341712155 1269164722 /nfs/dbraw/zinc/16/47/22/1269164722.db2.gz JNLWLOWKMUJPHE-ROUUACIJSA-N 1 3 373.501 0.695 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)cc1)[C@H]1CCCN(C)C1 ZINC001341712156 1269164733 /nfs/dbraw/zinc/16/47/33/1269164733.db2.gz JNLWLOWKMUJPHE-ZWKOTPCHSA-N 1 3 373.501 0.695 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001563599307 1269394083 /nfs/dbraw/zinc/39/40/83/1269394083.db2.gz NMYWEHDAZLAQQY-INIZCTEOSA-N 1 3 355.527 0.158 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001563599307 1269394094 /nfs/dbraw/zinc/39/40/94/1269394094.db2.gz NMYWEHDAZLAQQY-INIZCTEOSA-N 1 3 355.527 0.158 20 0 FCADHO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580617780 1278570410 /nfs/dbraw/zinc/57/04/10/1278570410.db2.gz KAFHGYPWZQLEAD-PMPSAXMXSA-N 1 3 353.463 0.877 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876319 1271633140 /nfs/dbraw/zinc/63/31/40/1271633140.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876319 1271633153 /nfs/dbraw/zinc/63/31/53/1271633153.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876319 1271633160 /nfs/dbraw/zinc/63/31/60/1271633160.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876319 1271633171 /nfs/dbraw/zinc/63/31/71/1271633171.db2.gz LJNBHIFNYPMNGT-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H]([C@H](C)NCc3c[nH]nn3)C2)CC1 ZINC001575701685 1272321838 /nfs/dbraw/zinc/32/18/38/1272321838.db2.gz FQOCJGWGFXCTKR-YOEHRIQHSA-N 1 3 364.494 0.631 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576247418 1273026023 /nfs/dbraw/zinc/02/60/23/1273026023.db2.gz PGGDVALKDNIHMS-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)NC2(CNCc3cn[nH]n3)CCCC2)cn1 ZINC001576750107 1273619688 /nfs/dbraw/zinc/61/96/88/1273619688.db2.gz MCTJMIPSTXXRSR-UHFFFAOYSA-N 1 3 360.466 0.395 20 0 FCADHO C[NH+](C)CCCC(=O)N1CCC2(CO[C@H](CNCc3cn[nH]n3)C2)CC1 ZINC001576752057 1273623317 /nfs/dbraw/zinc/62/33/17/1273623317.db2.gz ONCJVWXVBWQKEH-INIZCTEOSA-N 1 3 364.494 0.634 20 0 FCADHO C[NH+](C)CCCC(=O)N1CCC2(CO[C@H](CNCc3c[nH]nn3)C2)CC1 ZINC001576752057 1273623320 /nfs/dbraw/zinc/62/33/20/1273623320.db2.gz ONCJVWXVBWQKEH-INIZCTEOSA-N 1 3 364.494 0.634 20 0 FCADHO C[C@@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)C[C@H]1[NH3+] ZINC001576828551 1273755245 /nfs/dbraw/zinc/75/52/45/1273755245.db2.gz IHNKCSFPNPHLDR-GDBMZVCRSA-N 1 3 361.538 0.965 20 0 FCADHO C[NH+]1CCC(OCC(=O)NCC[C@H]2CCN(Cc3c[nH]nn3)C2)CC1 ZINC001576882095 1273864146 /nfs/dbraw/zinc/86/41/46/1273864146.db2.gz HOBCDJDQIJVZMU-AWEZNQCLSA-N 1 3 350.467 0.244 20 0 FCADHO CCN1CCN(CCCn2c(C3CC3)nnc2N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC001577778264 1274871230 /nfs/dbraw/zinc/87/12/30/1274871230.db2.gz OVQZVXTVZVVTDQ-RDJZCZTQSA-N 1 3 361.538 0.967 20 0 FCADHO CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001578107966 1275411378 /nfs/dbraw/zinc/41/13/78/1275411378.db2.gz XIEXMSJGNCFWTN-MRXNPFEDSA-N 1 3 374.493 0.839 20 0 FCADHO CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001578109820 1275412250 /nfs/dbraw/zinc/41/22/50/1275412250.db2.gz JIPBYQCRLRLBRD-CYBMUJFWSA-N 1 3 372.477 0.594 20 0 FCADHO CCN(CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001578109820 1275412253 /nfs/dbraw/zinc/41/22/53/1275412253.db2.gz JIPBYQCRLRLBRD-CYBMUJFWSA-N 1 3 372.477 0.594 20 0 FCADHO CCOCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC[NH3+] ZINC001578134931 1275434064 /nfs/dbraw/zinc/43/40/64/1275434064.db2.gz HBSGDBFKXSXWNK-INIZCTEOSA-N 1 3 365.526 0.378 20 0 FCADHO C[NH2+]CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 ZINC001578726390 1276201571 /nfs/dbraw/zinc/20/15/71/1276201571.db2.gz VZLXOCNJMHYADC-UHFFFAOYSA-N 1 3 363.510 0.398 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578988363 1276562610 /nfs/dbraw/zinc/56/26/10/1276562610.db2.gz WNWFDTLHYICMMD-KOMQPUFPSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578988363 1276562617 /nfs/dbraw/zinc/56/26/17/1276562617.db2.gz WNWFDTLHYICMMD-KOMQPUFPSA-N 1 3 357.462 0.803 20 0 FCADHO COCCN(C)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOC[C@@H]1C ZINC001579020446 1276599159 /nfs/dbraw/zinc/59/91/59/1276599159.db2.gz CFHMHGMCFBZJFP-JKSUJKDBSA-N 1 3 366.510 0.548 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CC1=O ZINC001579020676 1276599334 /nfs/dbraw/zinc/59/93/34/1276599334.db2.gz HNHOKXLFNHWHAV-HZPDHXFCSA-N 1 3 354.495 0.062 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001579022197 1276599959 /nfs/dbraw/zinc/59/99/59/1276599959.db2.gz TZDXUTNIUVWKJG-ARFHVFGLSA-N 1 3 366.510 0.881 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOC[C@@H]1C ZINC001579020444 1276600017 /nfs/dbraw/zinc/60/00/17/1276600017.db2.gz CFHMHGMCFBZJFP-HOTGVXAUSA-N 1 3 366.510 0.548 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001579022199 1276601731 /nfs/dbraw/zinc/60/17/31/1276601731.db2.gz TZDXUTNIUVWKJG-HRCADAONSA-N 1 3 366.510 0.881 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001579120486 1276793017 /nfs/dbraw/zinc/79/30/17/1276793017.db2.gz FUESTKDREOTVRB-XMTFNYHQSA-N 1 3 362.474 0.155 20 0 FCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579323177 1277140552 /nfs/dbraw/zinc/14/05/52/1277140552.db2.gz QZDFIURVTJSRCL-FHERZECASA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579323177 1277140554 /nfs/dbraw/zinc/14/05/54/1277140554.db2.gz QZDFIURVTJSRCL-FHERZECASA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579323177 1277140557 /nfs/dbraw/zinc/14/05/57/1277140557.db2.gz QZDFIURVTJSRCL-FHERZECASA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579323177 1277140559 /nfs/dbraw/zinc/14/05/59/1277140559.db2.gz QZDFIURVTJSRCL-FHERZECASA-N 1 3 369.473 0.897 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579328663 1277157634 /nfs/dbraw/zinc/15/76/34/1277157634.db2.gz IWSJJHQFRXMYAI-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579328663 1277157635 /nfs/dbraw/zinc/15/76/35/1277157635.db2.gz IWSJJHQFRXMYAI-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579328663 1277157637 /nfs/dbraw/zinc/15/76/37/1277157637.db2.gz IWSJJHQFRXMYAI-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579328663 1277157639 /nfs/dbraw/zinc/15/76/39/1277157639.db2.gz IWSJJHQFRXMYAI-HZPDHXFCSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1-c1nnn[n-]1 ZINC001579334117 1277170833 /nfs/dbraw/zinc/17/08/33/1277170833.db2.gz CIRAZHAEGFIHCE-UHFFFAOYSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1-c1nnn[n-]1 ZINC001579334117 1277170834 /nfs/dbraw/zinc/17/08/34/1277170834.db2.gz CIRAZHAEGFIHCE-UHFFFAOYSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC[NH+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335034 1277173556 /nfs/dbraw/zinc/17/35/56/1277173556.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC[NH+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335034 1277173558 /nfs/dbraw/zinc/17/35/58/1277173558.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335034 1277173560 /nfs/dbraw/zinc/17/35/60/1277173560.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335034 1277173562 /nfs/dbraw/zinc/17/35/62/1277173562.db2.gz LZRQPYXIRXJZQU-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339968 1277185256 /nfs/dbraw/zinc/18/52/56/1277185256.db2.gz OQFYVUCGLSMBAF-KCPJHIHWSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339968 1277185259 /nfs/dbraw/zinc/18/52/59/1277185259.db2.gz OQFYVUCGLSMBAF-KCPJHIHWSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339968 1277185262 /nfs/dbraw/zinc/18/52/62/1277185262.db2.gz OQFYVUCGLSMBAF-KCPJHIHWSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339968 1277185265 /nfs/dbraw/zinc/18/52/65/1277185265.db2.gz OQFYVUCGLSMBAF-KCPJHIHWSA-N 1 3 373.436 0.694 20 0 FCADHO Cc1cccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC[NH3+])n1 ZINC001579749292 1277857817 /nfs/dbraw/zinc/85/78/17/1277857817.db2.gz PYPHOFQPLYRCHL-INIZCTEOSA-N 1 3 371.489 0.766 20 0 FCADHO Cn1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2([NH3+])COC2)cn1 ZINC001579950963 1277977101 /nfs/dbraw/zinc/97/71/01/1277977101.db2.gz DWMCLISWRJVEBO-UHFFFAOYSA-N 1 3 374.493 0.327 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580272488 1278065089 /nfs/dbraw/zinc/06/50/89/1278065089.db2.gz BFHGTEAOFYELMJ-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580279149 1278078195 /nfs/dbraw/zinc/07/81/95/1278078195.db2.gz MWXVFPJEZUGHKK-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580279149 1278078209 /nfs/dbraw/zinc/07/82/09/1278078209.db2.gz MWXVFPJEZUGHKK-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580279149 1278078220 /nfs/dbraw/zinc/07/82/20/1278078220.db2.gz MWXVFPJEZUGHKK-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580279149 1278078229 /nfs/dbraw/zinc/07/82/29/1278078229.db2.gz MWXVFPJEZUGHKK-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949045 1279155375 /nfs/dbraw/zinc/15/53/75/1279155375.db2.gz LNDKNFFBDQQZNV-LBPRGKRZSA-N 1 3 358.450 0.464 20 0 FCADHO Cc1cc(N(C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580949045 1279155378 /nfs/dbraw/zinc/15/53/78/1279155378.db2.gz LNDKNFFBDQQZNV-LBPRGKRZSA-N 1 3 358.450 0.464 20 0 FCADHO C[C@H](CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001589828310 1283066728 /nfs/dbraw/zinc/06/67/28/1283066728.db2.gz OJLMAYTYNYJVDS-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CC[NH+](C)C ZINC001589828310 1283066734 /nfs/dbraw/zinc/06/67/34/1283066734.db2.gz OJLMAYTYNYJVDS-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001682287017 1283554578 /nfs/dbraw/zinc/55/45/78/1283554578.db2.gz RQCLZTSZLQHXLM-GVDBMIGSSA-N 1 3 364.534 0.974 20 0 FCADHO C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071314 1284130699 /nfs/dbraw/zinc/13/06/99/1284130699.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071314 1284130703 /nfs/dbraw/zinc/13/07/03/1284130703.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071314 1284130706 /nfs/dbraw/zinc/13/07/06/1284130706.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071314 1284130709 /nfs/dbraw/zinc/13/07/09/1284130709.db2.gz VMZMQVUEDOHFCO-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071316 1284132260 /nfs/dbraw/zinc/13/22/60/1284132260.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071316 1284132265 /nfs/dbraw/zinc/13/22/65/1284132265.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071316 1284132271 /nfs/dbraw/zinc/13/22/71/1284132271.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591071316 1284132277 /nfs/dbraw/zinc/13/22/77/1284132277.db2.gz VMZMQVUEDOHFCO-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175096 1284261714 /nfs/dbraw/zinc/26/17/14/1284261714.db2.gz GRKZYEFIWHVZSZ-HSWBROFVSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175096 1284261724 /nfs/dbraw/zinc/26/17/24/1284261724.db2.gz GRKZYEFIWHVZSZ-HSWBROFVSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175097 1284262711 /nfs/dbraw/zinc/26/27/11/1284262711.db2.gz GRKZYEFIWHVZSZ-PYLYLYNFSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175097 1284262716 /nfs/dbraw/zinc/26/27/16/1284262716.db2.gz GRKZYEFIWHVZSZ-PYLYLYNFSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178593 1284276451 /nfs/dbraw/zinc/27/64/51/1284276451.db2.gz WTDLGEKMXUTHAT-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178593 1284276458 /nfs/dbraw/zinc/27/64/58/1284276458.db2.gz WTDLGEKMXUTHAT-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178593 1284276466 /nfs/dbraw/zinc/27/64/66/1284276466.db2.gz WTDLGEKMXUTHAT-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178593 1284276473 /nfs/dbraw/zinc/27/64/73/1284276473.db2.gz WTDLGEKMXUTHAT-IHRRRGAJSA-N 1 3 373.436 0.694 20 0 FCADHO Cc1cc(NCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592049399 1285094134 /nfs/dbraw/zinc/09/41/34/1285094134.db2.gz SZJHGIXOKNSQPI-HNNXBMFYSA-N 1 3 358.450 0.393 20 0 FCADHO Cc1cc(NCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592049399 1285094146 /nfs/dbraw/zinc/09/41/46/1285094146.db2.gz SZJHGIXOKNSQPI-HNNXBMFYSA-N 1 3 358.450 0.393 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038325 1285922078 /nfs/dbraw/zinc/92/20/78/1285922078.db2.gz RYXJVJLESTZUPS-RDJZCZTQSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038325 1285922087 /nfs/dbraw/zinc/92/20/87/1285922087.db2.gz RYXJVJLESTZUPS-RDJZCZTQSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038325 1285922094 /nfs/dbraw/zinc/92/20/94/1285922094.db2.gz RYXJVJLESTZUPS-RDJZCZTQSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC001593038325 1285922099 /nfs/dbraw/zinc/92/20/99/1285922099.db2.gz RYXJVJLESTZUPS-RDJZCZTQSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCNC(=O)CN2CC[C@H](C)C2)C2CC2)CC[N@@H+]1C ZINC001704415350 1286248488 /nfs/dbraw/zinc/24/84/88/1286248488.db2.gz VQUDWBZOJBAKKL-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCNC(=O)CN2CC[C@H](C)C2)C2CC2)CC[N@H+]1C ZINC001704415350 1286248496 /nfs/dbraw/zinc/24/84/96/1286248496.db2.gz VQUDWBZOJBAKKL-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001707221114 1287064624 /nfs/dbraw/zinc/06/46/24/1287064624.db2.gz JQTVZRSWLBYMQQ-CVEARBPZSA-N 1 3 351.495 0.134 20 0 FCADHO OC[C@H]([NH2+]Cc1cc(C[NH2+][C@H](CO)C2CC2)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001607103074 1288663273 /nfs/dbraw/zinc/66/32/73/1288663273.db2.gz MOSCMWWXSPFBQV-HDICACEKSA-N 1 3 372.473 0.588 20 0 FCADHO OC[C@H]([NH2+]Cc1cc(C[NH2+][C@H](CO)C2CC2)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001607103074 1288663275 /nfs/dbraw/zinc/66/32/75/1288663275.db2.gz MOSCMWWXSPFBQV-HDICACEKSA-N 1 3 372.473 0.588 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CCC1 ZINC001735752109 1288847733 /nfs/dbraw/zinc/84/77/33/1288847733.db2.gz FVVNHIDPCRUZJU-HZPDHXFCSA-N 1 3 366.506 0.035 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)N2CCC2)C1 ZINC001692097355 1289399326 /nfs/dbraw/zinc/39/93/26/1289399326.db2.gz JIXUUPOHNBTKTD-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC(=O)N2CCC2)C1 ZINC001692097355 1289399336 /nfs/dbraw/zinc/39/93/36/1289399336.db2.gz JIXUUPOHNBTKTD-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CC)C(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692281230 1289440588 /nfs/dbraw/zinc/44/05/88/1289440588.db2.gz WOEHNPXPMOFLRS-BBWFWOEESA-N 1 3 352.523 0.975 20 0 FCADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067833 1289546741 /nfs/dbraw/zinc/54/67/41/1289546741.db2.gz ZVHBCJCDRVEWPG-OTWHNJEPSA-N 1 3 371.485 0.332 20 0 FCADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC001699067833 1289546746 /nfs/dbraw/zinc/54/67/46/1289546746.db2.gz ZVHBCJCDRVEWPG-OTWHNJEPSA-N 1 3 371.485 0.332 20 0 FCADHO CCN(C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699751221 1289564769 /nfs/dbraw/zinc/56/47/69/1289564769.db2.gz ODWRXOXEJOALQU-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699751221 1289564775 /nfs/dbraw/zinc/56/47/75/1289564775.db2.gz ODWRXOXEJOALQU-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO Cc1nc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)n[nH]1 ZINC001699881264 1289569675 /nfs/dbraw/zinc/56/96/75/1289569675.db2.gz VMOXPNQNLZZVOP-TZMCWYRMSA-N 1 3 350.467 0.208 20 0 FCADHO Cc1nc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)n[nH]1 ZINC001699881264 1289569680 /nfs/dbraw/zinc/56/96/80/1289569680.db2.gz VMOXPNQNLZZVOP-TZMCWYRMSA-N 1 3 350.467 0.208 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001739641758 1290284758 /nfs/dbraw/zinc/28/47/58/1290284758.db2.gz VJMVRBLNOVBCAQ-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001739720313 1290392871 /nfs/dbraw/zinc/39/28/71/1290392871.db2.gz PXTMREGQEZGWPK-QBPKDAKJSA-N 1 3 350.507 0.728 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001739720313 1290392883 /nfs/dbraw/zinc/39/28/83/1290392883.db2.gz PXTMREGQEZGWPK-QBPKDAKJSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001757474234 1290774504 /nfs/dbraw/zinc/77/45/04/1290774504.db2.gz ZWANWAQBBMEGPD-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001757474234 1290774509 /nfs/dbraw/zinc/77/45/09/1290774509.db2.gz ZWANWAQBBMEGPD-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931300 1291380994 /nfs/dbraw/zinc/38/09/94/1291380994.db2.gz LZLRFCIUIKDCGR-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931300 1291381004 /nfs/dbraw/zinc/38/10/04/1291381004.db2.gz LZLRFCIUIKDCGR-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001689064908 1294588428 /nfs/dbraw/zinc/58/84/28/1294588428.db2.gz CLFAKMGOCCYWCS-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740757 720821213 /nfs/dbraw/zinc/82/12/13/720821213.db2.gz LFFARPWMSNMCMM-BPQIPLTHSA-N 1 3 368.489 0.906 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740757 720821216 /nfs/dbraw/zinc/82/12/16/720821216.db2.gz LFFARPWMSNMCMM-BPQIPLTHSA-N 1 3 368.489 0.906 20 0 FCADHO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4CNC5)C3)O2)CC1 ZINC001164889751 721399767 /nfs/dbraw/zinc/39/97/67/721399767.db2.gz MEBMAWRTCCNQLB-JXFKEZNVSA-N 1 3 372.517 0.845 20 0 FCADHO CCN1CCCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605336 837778214 /nfs/dbraw/zinc/77/82/14/837778214.db2.gz IHBWLSHXTZMQDZ-KURKYZTESA-N 1 3 353.507 0.960 20 0 FCADHO CCN1CCN(CCC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000747566700 836249446 /nfs/dbraw/zinc/24/94/46/836249446.db2.gz FAQKLSQOEQAEOC-OKZBNKHCSA-N 1 3 352.523 0.724 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368961 844163740 /nfs/dbraw/zinc/16/37/40/844163740.db2.gz WLKGCZNXMIPHNE-CLCXKQKWSA-N 1 3 352.523 0.879 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368961 844163742 /nfs/dbraw/zinc/16/37/42/844163742.db2.gz WLKGCZNXMIPHNE-CLCXKQKWSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982853 844361220 /nfs/dbraw/zinc/36/12/20/844361220.db2.gz NNMIMACLDKQAED-QBPKDAKJSA-N 1 3 352.523 0.878 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982853 844361228 /nfs/dbraw/zinc/36/12/28/844361228.db2.gz NNMIMACLDKQAED-QBPKDAKJSA-N 1 3 352.523 0.878 20 0 FCADHO CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001077128942 838753559 /nfs/dbraw/zinc/75/35/59/838753559.db2.gz LPRSHUCSGDEEBE-FGTMMUONSA-N 1 3 353.507 0.837 20 0 FCADHO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001077128942 838753567 /nfs/dbraw/zinc/75/35/67/838753567.db2.gz LPRSHUCSGDEEBE-FGTMMUONSA-N 1 3 353.507 0.837 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219295 838822536 /nfs/dbraw/zinc/82/25/36/838822536.db2.gz PIOFKTXBYWQMPH-BRWVUGGUSA-N 1 3 351.491 0.593 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C)N(C)C ZINC001102066075 844402004 /nfs/dbraw/zinc/40/20/04/844402004.db2.gz DVFHBZVMSBURDR-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C)N(C)C ZINC001102066075 844402008 /nfs/dbraw/zinc/40/20/08/844402008.db2.gz DVFHBZVMSBURDR-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077779169 839153715 /nfs/dbraw/zinc/15/37/15/839153715.db2.gz FYUHURIQWVYAAW-KZNAEPCWSA-N 1 3 353.507 0.696 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001079808185 839597412 /nfs/dbraw/zinc/59/74/12/839597412.db2.gz IEGVTIOBRRTUKH-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001079808185 839597426 /nfs/dbraw/zinc/59/74/26/839597426.db2.gz IEGVTIOBRRTUKH-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290830 844459530 /nfs/dbraw/zinc/45/95/30/844459530.db2.gz WNMGZNDIGWBLSY-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082561581 840466157 /nfs/dbraw/zinc/46/61/57/840466157.db2.gz CEZLXLAFSVZXJR-HLLBOEOZSA-N 1 3 371.547 0.732 20 0 FCADHO CCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513756 844544848 /nfs/dbraw/zinc/54/48/48/844544848.db2.gz AEVXYDFYPJBXTJ-OWCLPIDISA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513754 844544924 /nfs/dbraw/zinc/54/49/24/844544924.db2.gz ADRRJCLXSLEHRH-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513754 844544925 /nfs/dbraw/zinc/54/49/25/844544925.db2.gz ADRRJCLXSLEHRH-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513954 844544937 /nfs/dbraw/zinc/54/49/37/844544937.db2.gz HHDYNQQTBPDPHR-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513954 844544939 /nfs/dbraw/zinc/54/49/39/844544939.db2.gz HHDYNQQTBPDPHR-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccns1 ZINC001082653618 840513155 /nfs/dbraw/zinc/51/31/55/840513155.db2.gz UGOZFGBBTJNFMZ-DNBFMWSQSA-N 1 3 362.499 0.943 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccns1 ZINC001082653618 840513163 /nfs/dbraw/zinc/51/31/63/840513163.db2.gz UGOZFGBBTJNFMZ-DNBFMWSQSA-N 1 3 362.499 0.943 20 0 FCADHO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082744187 840544622 /nfs/dbraw/zinc/54/46/22/840544622.db2.gz WTWHVHBFYTUKJB-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082783889 840559210 /nfs/dbraw/zinc/55/92/10/840559210.db2.gz XJRCVECTAYMCBU-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO Cc1nc(CN[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n[nH]1 ZINC001082828841 840577245 /nfs/dbraw/zinc/57/72/45/840577245.db2.gz LSPHCYRJICVSRI-IUODEOHRSA-N 1 3 350.467 0.160 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102525274 844553960 /nfs/dbraw/zinc/55/39/60/844553960.db2.gz UJUBKSYTGVLDNM-HZPDHXFCSA-N 1 3 355.527 0.720 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102525274 844553963 /nfs/dbraw/zinc/55/39/63/844553963.db2.gz UJUBKSYTGVLDNM-HZPDHXFCSA-N 1 3 355.527 0.720 20 0 FCADHO CC1(C)CO[C@H](CN2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083274823 840856684 /nfs/dbraw/zinc/85/66/84/840856684.db2.gz AZZIGPWKLJIKFJ-YESZJQIVSA-N 1 3 351.491 0.809 20 0 FCADHO COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600817 844592924 /nfs/dbraw/zinc/59/29/24/844592924.db2.gz WTIPXWNYARJWHX-ZACQAIPSSA-N 1 3 359.511 0.035 20 0 FCADHO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600817 844592932 /nfs/dbraw/zinc/59/29/32/844592932.db2.gz WTIPXWNYARJWHX-ZACQAIPSSA-N 1 3 359.511 0.035 20 0 FCADHO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084957734 841968908 /nfs/dbraw/zinc/96/89/08/841968908.db2.gz TYWCIVUDSBXODX-NJAFHUGGSA-N 1 3 351.491 0.545 20 0 FCADHO O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084957734 841968912 /nfs/dbraw/zinc/96/89/12/841968912.db2.gz TYWCIVUDSBXODX-NJAFHUGGSA-N 1 3 351.491 0.545 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086695137 842152950 /nfs/dbraw/zinc/15/29/50/842152950.db2.gz COXKLRGVMTUMMA-GVDBMIGSSA-N 1 3 350.507 0.966 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087084751 842277566 /nfs/dbraw/zinc/27/75/66/842277566.db2.gz QTDUVYSEAJGABT-IXDOHACOSA-N 1 3 351.495 0.713 20 0 FCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090867 842530169 /nfs/dbraw/zinc/53/01/69/842530169.db2.gz JRXNHNUFWQGQHE-OIISXLGYSA-N 1 3 350.507 0.585 20 0 FCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130191 842538075 /nfs/dbraw/zinc/53/80/75/842538075.db2.gz AEIILDJCFUNORX-IXDOHACOSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937826 843348936 /nfs/dbraw/zinc/34/89/36/843348936.db2.gz XYNGNTOCNLMQOY-IJEWVQPXSA-N 1 3 350.507 0.679 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)CC1 ZINC001095430353 843724303 /nfs/dbraw/zinc/72/43/03/843724303.db2.gz QEAYJKYLCBXHRJ-ZBRFXRBCSA-N 1 3 351.491 0.447 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780863 844646204 /nfs/dbraw/zinc/64/62/04/844646204.db2.gz RQMRQEHPROMGIY-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780863 844646206 /nfs/dbraw/zinc/64/62/06/844646206.db2.gz RQMRQEHPROMGIY-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398240 844750578 /nfs/dbraw/zinc/75/05/78/844750578.db2.gz JFCGSHZOFAMBHZ-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@H](NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001103398171 844750772 /nfs/dbraw/zinc/75/07/72/844750772.db2.gz GFJMWBXAMDWTDV-HLLBOEOZSA-N 1 3 352.523 0.927 20 0 FCADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1C ZINC001104256521 844882773 /nfs/dbraw/zinc/88/27/73/844882773.db2.gz DNWUTUOXSQXYIO-BZUAXINKSA-N 1 3 358.502 0.877 20 0 FCADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1C ZINC001104256522 844883068 /nfs/dbraw/zinc/88/30/68/844883068.db2.gz DNWUTUOXSQXYIO-OAGGEKHMSA-N 1 3 358.502 0.877 20 0 FCADHO COCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433586 844910916 /nfs/dbraw/zinc/91/09/16/844910916.db2.gz MFBJUIOTAAGISV-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001104625248 844927815 /nfs/dbraw/zinc/92/78/15/844927815.db2.gz BPNVAPGHLYIRHN-ZIAGYGMSSA-N 1 3 351.451 0.639 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001104680556 844932527 /nfs/dbraw/zinc/93/25/27/844932527.db2.gz SIOZMKBOCGZWLX-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832426 844949285 /nfs/dbraw/zinc/94/92/85/844949285.db2.gz AHRRAQAOIQQVCT-IXDOHACOSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@H]1N(C(=O)COCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCCF)C2 ZINC001105668033 845015189 /nfs/dbraw/zinc/01/51/89/845015189.db2.gz VZEGAWFPUMUKIL-JOCBIADPSA-N 1 3 359.486 0.500 20 0 FCADHO COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675506 845016797 /nfs/dbraw/zinc/01/67/97/845016797.db2.gz PSSAYDLYDNYXRB-ZAWLATJESA-N 1 3 355.523 0.939 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105676297 845018296 /nfs/dbraw/zinc/01/82/96/845018296.db2.gz VLVZYCJZNVJIDF-FPAYPSAMSA-N 1 3 355.523 0.675 20 0 FCADHO C[C@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)CS(C)(=O)=O ZINC001106704751 845229281 /nfs/dbraw/zinc/22/92/81/845229281.db2.gz BJZSXNVMTVJICF-MGPQQGTHSA-N 1 3 356.492 0.317 20 0 FCADHO COc1nscc1CNC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106880621 845277115 /nfs/dbraw/zinc/27/71/15/845277115.db2.gz MFYJGTJBMXDXBX-ZIAGYGMSSA-N 1 3 370.519 0.914 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCCOC)[C@H](C)C1 ZINC001106910989 845284872 /nfs/dbraw/zinc/28/48/72/845284872.db2.gz ZIYXNORZENWWLB-BRWVUGGUSA-N 1 3 359.511 0.036 20 0 FCADHO CC[C@H](C)[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852205 861653546 /nfs/dbraw/zinc/65/35/46/861653546.db2.gz PJGWFQKCBQANOL-HKUYNNGSSA-N 1 3 352.523 0.726 20 0 FCADHO CC[C@H](C)[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852205 861653558 /nfs/dbraw/zinc/65/35/58/861653558.db2.gz PJGWFQKCBQANOL-HKUYNNGSSA-N 1 3 352.523 0.726 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112154467 846422020 /nfs/dbraw/zinc/42/20/20/846422020.db2.gz NINWTRADGTXMEB-CHWSQXEVSA-N 1 3 355.401 0.316 20 0 FCADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154293 846422498 /nfs/dbraw/zinc/42/24/98/846422498.db2.gz DZAUUNJWCAIYQM-YNEHKIRRSA-N 1 3 355.401 0.314 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)C1CC1 ZINC001112399142 846501119 /nfs/dbraw/zinc/50/11/19/846501119.db2.gz FDEMBYNTWWKITH-SCTDSRPQSA-N 1 3 353.507 0.554 20 0 FCADHO CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112397025 846501222 /nfs/dbraw/zinc/50/12/22/846501222.db2.gz PDRJLHYRWUPOSG-VKJFTORMSA-N 1 3 350.507 0.824 20 0 FCADHO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413226 846502152 /nfs/dbraw/zinc/50/21/52/846502152.db2.gz CWBUMWJLLFYUEP-ZMMAXQRCSA-N 1 3 355.523 0.798 20 0 FCADHO COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535982 846516898 /nfs/dbraw/zinc/51/68/98/846516898.db2.gz KWPSLKBUIQGPEC-YJBOKZPZSA-N 1 3 350.463 0.834 20 0 FCADHO C[C@H](O)C[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276960956 861708657 /nfs/dbraw/zinc/70/86/57/861708657.db2.gz XFUOEJBXMMZEAE-KRWDZBQOSA-N 1 3 352.523 0.319 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC001117705604 847151503 /nfs/dbraw/zinc/15/15/03/847151503.db2.gz XVYAMMWICYMQIE-MRXNPFEDSA-N 1 3 354.495 0.997 20 0 FCADHO C[NH+]1CCN(Cc2cccc(CNC(=O)NCC(F)(F)CN)c2)CC1 ZINC001117966360 847233271 /nfs/dbraw/zinc/23/32/71/847233271.db2.gz PVSJNMMPFBURGN-UHFFFAOYSA-N 1 3 355.433 0.827 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118121883 847289863 /nfs/dbraw/zinc/28/98/63/847289863.db2.gz KIQHQZKCKUVVGP-UHFFFAOYSA-N 1 3 354.495 0.015 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001118147571 847295946 /nfs/dbraw/zinc/29/59/46/847295946.db2.gz HQZMIZBONUTTOW-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC001127638629 848730353 /nfs/dbraw/zinc/73/03/53/848730353.db2.gz NWUWGZYNZXZXNR-CZUORRHYSA-N 1 3 353.488 0.636 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC001127638629 848730361 /nfs/dbraw/zinc/73/03/61/848730361.db2.gz NWUWGZYNZXZXNR-CZUORRHYSA-N 1 3 353.488 0.636 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205098 848818217 /nfs/dbraw/zinc/81/82/17/848818217.db2.gz PDFCOXIKELYHMD-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129228340 848820805 /nfs/dbraw/zinc/82/08/05/848820805.db2.gz OIIZPRJZKAUSEA-OAGGEKHMSA-N 1 3 350.467 0.140 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130047597 848936545 /nfs/dbraw/zinc/93/65/45/848936545.db2.gz JGJNGNYITQNGDP-OLZOCXBDSA-N 1 3 362.400 0.914 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H](CC)OC)[C@@H](n2ccnn2)C1 ZINC001130107157 848945610 /nfs/dbraw/zinc/94/56/10/848945610.db2.gz GKVLRGZHIMOUHO-XHSDSOJGSA-N 1 3 352.483 0.386 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137119 848950106 /nfs/dbraw/zinc/95/01/06/848950106.db2.gz KAKLLOYZRZLKLT-CVEARBPZSA-N 1 3 352.483 0.386 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130662077 849025309 /nfs/dbraw/zinc/02/53/09/849025309.db2.gz JSFOPUXERINITJ-USXIJHARSA-N 1 3 351.495 0.537 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@H](C)COC)C1 ZINC001131115774 849080495 /nfs/dbraw/zinc/08/04/95/849080495.db2.gz ZZDZEZLRQDZANO-BZUAXINKSA-N 1 3 351.495 0.681 20 0 FCADHO CN(CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C1CCC1 ZINC001131511914 849116062 /nfs/dbraw/zinc/11/60/62/849116062.db2.gz CNMJJTDZMUKMBK-MJGOQNOKSA-N 1 3 353.507 0.839 20 0 FCADHO COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001131516947 849117113 /nfs/dbraw/zinc/11/71/13/849117113.db2.gz BPBBCGUVCLSNAT-KURKYZTESA-N 1 3 353.507 0.959 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555549 849123230 /nfs/dbraw/zinc/12/32/30/849123230.db2.gz KXJJXNUTQFKRLX-QAPCUYQASA-N 1 3 354.495 0.060 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131573298 849125818 /nfs/dbraw/zinc/12/58/18/849125818.db2.gz WBCRSAOLSKVGJE-QBIMZIAESA-N 1 3 350.463 0.973 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC)CC1 ZINC001131583125 849126881 /nfs/dbraw/zinc/12/68/81/849126881.db2.gz QUPJEYSAROVZRV-QAPCUYQASA-N 1 3 354.495 0.060 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001142791716 849461547 /nfs/dbraw/zinc/46/15/47/849461547.db2.gz MGIDHFDOIIBTME-QGJZQDQRSA-N 1 3 367.437 0.547 20 0 FCADHO [NH3+]CCN=c1ccc(Br)cn1C(=O)C1CCCS1(=O)=O ZINC001143483591 849490846 /nfs/dbraw/zinc/49/08/46/849490846.db2.gz JTCWVDVQKFTLMB-SNVBAGLBSA-N 1 3 362.249 0.327 20 0 FCADHO O=S(=O)(c1ccccn1)N(c1ncc2c(n1)CCNC2)[C@@H]1CC[NH2+]C1 ZINC001157094967 849946638 /nfs/dbraw/zinc/94/66/38/849946638.db2.gz BGZVMHVXUIRZAN-CYBMUJFWSA-N 1 3 360.443 0.075 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626164 849984532 /nfs/dbraw/zinc/98/45/32/849984532.db2.gz BHFGMEWEKHWBQZ-UPCLLVRISA-N 1 3 359.536 0.433 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001157716669 849989319 /nfs/dbraw/zinc/98/93/19/849989319.db2.gz QMXQZRSMKDQJQY-PMPSAXMXSA-N 1 3 352.504 0.659 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158248957 850028142 /nfs/dbraw/zinc/02/81/42/850028142.db2.gz KCAHVJYFBLFLLY-DCAQKATOSA-N 1 3 350.385 0.514 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN(CC)CC)C2 ZINC001158384066 850043678 /nfs/dbraw/zinc/04/36/78/850043678.db2.gz QETXTEKCLQHRTM-CABCVRRESA-N 1 3 365.396 0.872 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN(C)C(C)C)C2 ZINC001158384915 850044292 /nfs/dbraw/zinc/04/42/92/850044292.db2.gz TYJDCHVJKVSJCC-HUUCEWRRSA-N 1 3 365.396 0.870 20 0 FCADHO CCC[C@H](N)C(=O)N1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001158384467 850044894 /nfs/dbraw/zinc/04/48/94/850044894.db2.gz SXQFUNDVCDYTRO-LEWSCRJBSA-N 1 3 351.369 0.657 20 0 FCADHO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001159127562 850096932 /nfs/dbraw/zinc/09/69/32/850096932.db2.gz TWGVJCJJORZVTQ-UKRRQHHQSA-N 1 3 350.467 0.092 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819199 850138040 /nfs/dbraw/zinc/13/80/40/850138040.db2.gz VWRKNJXJLCNCOM-HIFRSBDPSA-N 1 3 352.479 0.119 20 0 FCADHO CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159832234 850139391 /nfs/dbraw/zinc/13/93/91/850139391.db2.gz BHDMWEKCIHTGAZ-HZSPNIEDSA-N 1 3 352.460 0.456 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(N2c3ccccc3CC2=O)CC1 ZINC001160444040 850173984 /nfs/dbraw/zinc/17/39/84/850173984.db2.gz USKBKFMDAQKDPI-HNNXBMFYSA-N 1 3 362.499 0.586 20 0 FCADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001160825089 850202113 /nfs/dbraw/zinc/20/21/13/850202113.db2.gz TYWRXBAAZZTFNW-LBPRGKRZSA-N 1 3 352.435 0.795 20 0 FCADHO [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCN2CC[C@H]2C1 ZINC001161423745 850257752 /nfs/dbraw/zinc/25/77/52/850257752.db2.gz LXXHIIFXLZWHNZ-JKSUJKDBSA-N 1 3 362.499 0.280 20 0 FCADHO N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423745 850257763 /nfs/dbraw/zinc/25/77/63/850257763.db2.gz LXXHIIFXLZWHNZ-JKSUJKDBSA-N 1 3 362.499 0.280 20 0 FCADHO N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423745 850257773 /nfs/dbraw/zinc/25/77/73/850257773.db2.gz LXXHIIFXLZWHNZ-JKSUJKDBSA-N 1 3 362.499 0.280 20 0 FCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1N1CC[C@@H]([NH3+])C1 ZINC001164279623 850401525 /nfs/dbraw/zinc/40/15/25/850401525.db2.gz SEOWJYSFSIZRRF-UKRRQHHQSA-N 1 3 350.463 0.725 20 0 FCADHO CCOCC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001172424635 850709780 /nfs/dbraw/zinc/70/97/80/850709780.db2.gz FQQAMQOHJQVJQB-QGZVFWFLSA-N 1 3 354.539 0.972 20 0 FCADHO COCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2 ZINC001278276153 862285966 /nfs/dbraw/zinc/28/59/66/862285966.db2.gz GGUPBJLLOOSBPI-FGTMMUONSA-N 1 3 351.491 0.809 20 0 FCADHO COCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2 ZINC001278276153 862285981 /nfs/dbraw/zinc/28/59/81/862285981.db2.gz GGUPBJLLOOSBPI-FGTMMUONSA-N 1 3 351.491 0.809 20 0 FCADHO CCC1(C[NH+]2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)COC1 ZINC001202949778 853575743 /nfs/dbraw/zinc/57/57/43/853575743.db2.gz SIPQYSCZKKXZGX-UHFFFAOYSA-N 1 3 352.523 0.583 20 0 FCADHO COCCN1CCN(C)C2(CC[NH+](CC(C)(C)CN(C)C)CC2)C1=O ZINC001207279322 853796577 /nfs/dbraw/zinc/79/65/77/853796577.db2.gz KLAKVANAUMVVDG-UHFFFAOYSA-N 1 3 354.539 0.829 20 0 FCADHO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](CCCN3CCCCC3)C[C@H]2C1 ZINC001209450648 854028790 /nfs/dbraw/zinc/02/87/90/854028790.db2.gz PDSAHDHOSQDAEL-SJORKVTESA-N 1 3 358.552 0.923 20 0 FCADHO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@H]2C1 ZINC001209450648 854028797 /nfs/dbraw/zinc/02/87/97/854028797.db2.gz PDSAHDHOSQDAEL-SJORKVTESA-N 1 3 358.552 0.923 20 0 FCADHO CO[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729968 854739588 /nfs/dbraw/zinc/73/95/88/854739588.db2.gz AFXBEHMBUHWNIH-BRWVUGGUSA-N 1 3 357.495 0.339 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)C1 ZINC001213730082 854739667 /nfs/dbraw/zinc/73/96/67/854739667.db2.gz CSIDKIFPUORRPZ-BHUNQDJPSA-N 1 3 357.495 0.195 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCC1 ZINC001213730552 854740752 /nfs/dbraw/zinc/74/07/52/854740752.db2.gz QOBYIMAOEPEJMO-IXDOHACOSA-N 1 3 357.495 0.195 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214780422 855012129 /nfs/dbraw/zinc/01/21/29/855012129.db2.gz ZLRMRFDDVBQURE-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214780422 855012136 /nfs/dbraw/zinc/01/21/36/855012136.db2.gz ZLRMRFDDVBQURE-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214855242 855022953 /nfs/dbraw/zinc/02/29/53/855022953.db2.gz AUFGSGUSWPKBLH-QKCSRTOESA-N 1 3 364.412 0.442 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1)N(C)C ZINC001214950743 855038449 /nfs/dbraw/zinc/03/84/49/855038449.db2.gz XCVIMSYRSHZMOH-IJLUTSLNSA-N 1 3 352.401 0.442 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215380798 855106159 /nfs/dbraw/zinc/10/61/59/855106159.db2.gz AGGPRBOHLYRITH-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215380798 855106166 /nfs/dbraw/zinc/10/61/66/855106166.db2.gz AGGPRBOHLYRITH-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001215423340 855112958 /nfs/dbraw/zinc/11/29/58/855112958.db2.gz HUEDGCQPJOBZDV-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1N[C@H]1CCN(CC(F)(F)F)C1=O ZINC001215463376 855118271 /nfs/dbraw/zinc/11/82/71/855118271.db2.gz UMUIWKBEJVGJGO-FRRDWIJNSA-N 1 3 364.412 0.538 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCOCCO ZINC001215539863 855126713 /nfs/dbraw/zinc/12/67/13/855126713.db2.gz AULDMQMJXYBYJX-RKVPGOIHSA-N 1 3 359.486 0.644 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1)N(C)C ZINC001215575634 855129810 /nfs/dbraw/zinc/12/98/10/855129810.db2.gz VXEUPQGNNFGPHM-UPJWGTAASA-N 1 3 366.428 0.784 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOC[C@H]1CCCCO1 ZINC001215685155 855136572 /nfs/dbraw/zinc/13/65/72/855136572.db2.gz NNGYMRLTUTZOMK-DJIMGWMZSA-N 1 3 350.463 0.974 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001215994328 855163177 /nfs/dbraw/zinc/16/31/77/855163177.db2.gz ZZZKMYTZYRGGJN-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001215993956 855163310 /nfs/dbraw/zinc/16/33/10/855163310.db2.gz JMPVMEFRGMYAKF-VXGBXAGGSA-N 1 3 352.401 0.443 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCCS(C)(=O)=O ZINC001216326764 855192236 /nfs/dbraw/zinc/19/22/36/855192236.db2.gz JIAUAHXISMISQP-RHSMWYFYSA-N 1 3 371.547 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NC1CCCC1 ZINC001216402299 855199424 /nfs/dbraw/zinc/19/94/24/855199424.db2.gz YWCBGPCMMGWWDR-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216464200 855204607 /nfs/dbraw/zinc/20/46/07/855204607.db2.gz MVSQWIKRRFYGEN-HZPDHXFCSA-N 1 3 356.511 0.308 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001216490734 855207243 /nfs/dbraw/zinc/20/72/43/855207243.db2.gz MKWLHSSOPZOULO-CHWSQXEVSA-N 1 3 366.428 0.833 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001216490734 855207248 /nfs/dbraw/zinc/20/72/48/855207248.db2.gz MKWLHSSOPZOULO-CHWSQXEVSA-N 1 3 366.428 0.833 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001216511603 855209326 /nfs/dbraw/zinc/20/93/26/855209326.db2.gz WMLYKNUZGHYQAE-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[NH2+]C[C@H]1C ZINC001217988394 855388951 /nfs/dbraw/zinc/38/89/51/855388951.db2.gz OIMSTTGKSALWFB-MNOVXSKESA-N 1 3 352.435 0.528 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001218212310 855407097 /nfs/dbraw/zinc/40/70/97/855407097.db2.gz WVRCCVVGJNZXCI-LLVKDONJSA-N 1 3 352.435 0.624 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001218212310 855407098 /nfs/dbraw/zinc/40/70/98/855407098.db2.gz WVRCCVVGJNZXCI-LLVKDONJSA-N 1 3 352.435 0.624 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533620 855436738 /nfs/dbraw/zinc/43/67/38/855436738.db2.gz QFFXPVIXFKIORZ-DCAQKATOSA-N 1 3 353.492 0.776 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(I)c2nccn2c1 ZINC001218677753 855462675 /nfs/dbraw/zinc/46/26/75/855462675.db2.gz RHHNRQLPHGVONW-SNVBAGLBSA-N 1 3 373.198 0.944 20 0 FCADHO NC(=O)c1cc(Br)ccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218842687 855484808 /nfs/dbraw/zinc/48/48/08/855484808.db2.gz BPUPUXFXLTZALN-SNVBAGLBSA-N 1 3 353.220 0.296 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219847272 855844681 /nfs/dbraw/zinc/84/46/81/855844681.db2.gz BNBITXVXWHLTRK-LUKYLMHMSA-N 1 3 364.515 0.720 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1F ZINC001220037488 855928783 /nfs/dbraw/zinc/92/87/83/855928783.db2.gz BEGOPEBJIVWNAT-GJZGRUSLSA-N 1 3 351.426 0.284 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329397 856068740 /nfs/dbraw/zinc/06/87/40/856068740.db2.gz OMSOIILTFZGBBK-SOUVJXGZSA-N 1 3 352.479 0.119 20 0 FCADHO CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369348 856089153 /nfs/dbraw/zinc/08/91/53/856089153.db2.gz HJCYAEMPEUUOBM-IKGGRYGDSA-N 1 3 355.523 0.941 20 0 FCADHO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)C1CCC1 ZINC001220369348 856089155 /nfs/dbraw/zinc/08/91/55/856089155.db2.gz HJCYAEMPEUUOBM-IKGGRYGDSA-N 1 3 355.523 0.941 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606732 856202568 /nfs/dbraw/zinc/20/25/68/856202568.db2.gz CJSKAXQEFGPZEY-VXGBXAGGSA-N 1 3 358.236 0.846 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607899 856204318 /nfs/dbraw/zinc/20/43/18/856204318.db2.gz PLVZWIIVCTZGKK-RYUDHWBXSA-N 1 3 372.267 0.341 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001220768635 856290677 /nfs/dbraw/zinc/29/06/77/856290677.db2.gz WFPDWQDHAKWESR-KFWWJZLASA-N 1 3 363.449 0.551 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803325 856308983 /nfs/dbraw/zinc/30/89/83/856308983.db2.gz DWPXIBWXHLRZKG-MXWKQRLJSA-N 1 3 353.385 0.963 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803324 856309594 /nfs/dbraw/zinc/30/95/94/856309594.db2.gz DWPXIBWXHLRZKG-DCAQKATOSA-N 1 3 353.385 0.963 20 0 FCADHO COC(=O)c1ccc(CNC(=O)[C@H](N)CCC[NH3+])c(Br)c1 ZINC001220847526 856335441 /nfs/dbraw/zinc/33/54/41/856335441.db2.gz WXUFJHZWGRUDBG-GFCCVEGCSA-N 1 3 358.236 0.918 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930369 856379636 /nfs/dbraw/zinc/37/96/36/856379636.db2.gz PTCFZVVCCZQCNS-YXWQFLTLSA-N 1 3 354.495 0.362 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976146 856404186 /nfs/dbraw/zinc/40/41/86/856404186.db2.gz LOFZAPKBJIYKKD-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976146 856404191 /nfs/dbraw/zinc/40/41/91/856404191.db2.gz LOFZAPKBJIYKKD-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC001221073430 856449930 /nfs/dbraw/zinc/44/99/30/856449930.db2.gz WMFXMQDAVFMTLO-HIEASXQVSA-N 1 3 353.507 0.839 20 0 FCADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221257009 856531514 /nfs/dbraw/zinc/53/15/14/856531514.db2.gz UXVLSMWOPOYYRH-GJZGRUSLSA-N 1 3 353.467 0.070 20 0 FCADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221359044 856555065 /nfs/dbraw/zinc/55/50/65/856555065.db2.gz ZWVVZWUIHPAPLI-HOTGVXAUSA-N 1 3 352.523 0.724 20 0 FCADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)c1 ZINC001221404005 856558806 /nfs/dbraw/zinc/55/88/06/856558806.db2.gz FTDLALIFTBCTPU-RCBQFDQVSA-N 1 3 350.463 0.689 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407869 856560617 /nfs/dbraw/zinc/56/06/17/856560617.db2.gz FFUDXPCSXUVKOY-XQLPTFJDSA-N 1 3 354.495 0.532 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407869 856560624 /nfs/dbraw/zinc/56/06/24/856560624.db2.gz FFUDXPCSXUVKOY-XQLPTFJDSA-N 1 3 354.495 0.532 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)c3ncc[nH]3)CC2)CC1 ZINC001221601366 856621860 /nfs/dbraw/zinc/62/18/60/856621860.db2.gz YKGJSRMXVNFCSQ-HNNXBMFYSA-N 1 3 350.467 0.301 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089232 856799004 /nfs/dbraw/zinc/79/90/04/856799004.db2.gz FGKLFYVDUVKAGQ-KZNAEPCWSA-N 1 3 353.507 0.793 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)CCC1 ZINC001226792860 857125823 /nfs/dbraw/zinc/12/58/23/857125823.db2.gz SUUIEYKOMZEDEU-HUUCEWRRSA-N 1 3 351.495 0.513 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)C1CCC1 ZINC001226831154 857127977 /nfs/dbraw/zinc/12/79/77/857127977.db2.gz PFARKGUHCWPFKT-HUUCEWRRSA-N 1 3 360.524 0.037 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226891913 857129533 /nfs/dbraw/zinc/12/95/33/857129533.db2.gz WKBMOFWLEZXODQ-BFHYXJOUSA-N 1 3 353.467 0.073 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226891913 857129542 /nfs/dbraw/zinc/12/95/42/857129542.db2.gz WKBMOFWLEZXODQ-BFHYXJOUSA-N 1 3 353.467 0.073 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)CC1 ZINC001228224025 857197442 /nfs/dbraw/zinc/19/74/42/857197442.db2.gz CZKGIGFKJQFDFF-HZPDHXFCSA-N 1 3 350.507 0.871 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001228365759 857206851 /nfs/dbraw/zinc/20/68/51/857206851.db2.gz ITXFUAKRMPRCIH-BZUAXINKSA-N 1 3 354.495 0.250 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228444881 857209904 /nfs/dbraw/zinc/20/99/04/857209904.db2.gz HZOCBXDHHJSCCU-UMVBOHGHSA-N 1 3 355.483 0.045 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229213875 857259079 /nfs/dbraw/zinc/25/90/79/857259079.db2.gz MRGUCGMGDNLEGR-MGPQQGTHSA-N 1 3 355.483 0.189 20 0 FCADHO CCOC(=O)[C@H](CCSC)NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218217 857524776 /nfs/dbraw/zinc/52/47/76/857524776.db2.gz XEYYKVPVKBJHFX-KBPBESRZSA-N 1 3 372.535 0.845 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCC[NH2+]CCCN ZINC001239253107 857525648 /nfs/dbraw/zinc/52/56/48/857525648.db2.gz NWALEHCULCPNNF-MRXNPFEDSA-N 1 3 350.463 0.789 20 0 FCADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246004380 857563348 /nfs/dbraw/zinc/56/33/48/857563348.db2.gz CIQJXNSOJCRGMF-CABCVRRESA-N 1 3 353.463 0.786 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001246018630 857564821 /nfs/dbraw/zinc/56/48/21/857564821.db2.gz HCLKWLNVAKYHJP-MAUKXSAKSA-N 1 3 351.447 0.314 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697126 857590772 /nfs/dbraw/zinc/59/07/72/857590772.db2.gz UBZKASKKBIFBKO-IXDOHACOSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)CCN1 ZINC001246697126 857590781 /nfs/dbraw/zinc/59/07/81/857590781.db2.gz UBZKASKKBIFBKO-IXDOHACOSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736218 857594889 /nfs/dbraw/zinc/59/48/89/857594889.db2.gz KFGVIRQORGSYNU-FAJBIJEISA-N 1 3 351.491 0.714 20 0 FCADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736218 857594894 /nfs/dbraw/zinc/59/48/94/857594894.db2.gz KFGVIRQORGSYNU-FAJBIJEISA-N 1 3 351.491 0.714 20 0 FCADHO CC(C)S(=O)(=O)N1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001252500225 857817108 /nfs/dbraw/zinc/81/71/08/857817108.db2.gz JNEZRZSSMFIXMI-UHFFFAOYSA-N 1 3 372.579 0.901 20 0 FCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]12 ZINC001253201906 857871494 /nfs/dbraw/zinc/87/14/94/857871494.db2.gz BCLCZVCDCVYGTO-KLHDSHLOSA-N 1 3 357.495 0.913 20 0 FCADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001253408724 857887099 /nfs/dbraw/zinc/88/70/99/857887099.db2.gz YOIFJUOTKGMZOQ-HNNXBMFYSA-N 1 3 370.519 0.573 20 0 FCADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001253408724 857887111 /nfs/dbraw/zinc/88/71/11/857887111.db2.gz YOIFJUOTKGMZOQ-HNNXBMFYSA-N 1 3 370.519 0.573 20 0 FCADHO COC(=O)[C@@H](C[NH3+])CN[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803437 857986048 /nfs/dbraw/zinc/98/60/48/857986048.db2.gz BELBVWYUSVLBRZ-QWHCGFSZSA-N 1 3 357.451 0.492 20 0 FCADHO Cn1cnc(S(=O)(=O)N2C[C@@H]3CCN(CC4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001279625707 862986271 /nfs/dbraw/zinc/98/62/71/862986271.db2.gz HMPFQGWCPGSIFG-JKSUJKDBSA-N 1 3 367.519 0.457 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001264651384 859414979 /nfs/dbraw/zinc/41/49/79/859414979.db2.gz ASKUTFADSBNJBI-IXDOHACOSA-N 1 3 355.523 0.752 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001264651384 859414986 /nfs/dbraw/zinc/41/49/86/859414986.db2.gz ASKUTFADSBNJBI-IXDOHACOSA-N 1 3 355.523 0.752 20 0 FCADHO CCNC(=O)CN1CC[C@]2(CCCN2CCC2CC[NH+](C)CC2)C1=O ZINC001275743825 861187875 /nfs/dbraw/zinc/18/78/75/861187875.db2.gz YNPXOXFGHRVXMD-LJQANCHMSA-N 1 3 350.507 0.921 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001288979954 864834855 /nfs/dbraw/zinc/83/48/55/864834855.db2.gz MLGQHVHSKXRWQO-LZLYRXPVSA-N 1 3 352.523 0.974 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCN(C=O)CC3)CC2)CC1 ZINC001349787325 866442298 /nfs/dbraw/zinc/44/22/98/866442298.db2.gz XRRFOMPAOMSODE-UHFFFAOYSA-N 1 3 350.507 0.873 20 0 FCADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001308937349 866725219 /nfs/dbraw/zinc/72/52/19/866725219.db2.gz WVDZFZQQLNFUQN-PQUAAJSLSA-N 1 3 351.491 0.905 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC001351364973 866840966 /nfs/dbraw/zinc/84/09/66/866840966.db2.gz VWKSXJKYZWDMAT-LSDHHAIUSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546639 868511247 /nfs/dbraw/zinc/51/12/47/868511247.db2.gz HNEVHHDLXSHDCI-PBHICJAKSA-N 1 3 354.520 0.237 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546639 868511255 /nfs/dbraw/zinc/51/12/55/868511255.db2.gz HNEVHHDLXSHDCI-PBHICJAKSA-N 1 3 354.520 0.237 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN([C@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539296 870371781 /nfs/dbraw/zinc/37/17/81/870371781.db2.gz LYDLRBYLOKVGFB-MVJTYMMSSA-N 1 3 351.491 0.985 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001328846842 871662903 /nfs/dbraw/zinc/66/29/03/871662903.db2.gz VSSWOARTYBUQSC-KSZLIROESA-N 1 3 352.523 0.759 20 0 FCADHO COC1CCN(CCNC(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001346584089 871917187 /nfs/dbraw/zinc/91/71/87/871917187.db2.gz JSSZJGKZIRNMPK-UHFFFAOYSA-N 1 3 355.527 0.472 20 0 FCADHO CN(C)C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC001346704045 871966794 /nfs/dbraw/zinc/96/67/94/871966794.db2.gz WQKFNBBDQCIPMV-CVEARBPZSA-N 1 3 350.438 0.803 20 0 FCADHO COCC[NH2+]C1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001329676333 872172342 /nfs/dbraw/zinc/17/23/42/872172342.db2.gz WYOJKRDYYPRBDS-UHFFFAOYSA-N 1 3 355.527 0.424 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCSC1 ZINC001329726910 872210521 /nfs/dbraw/zinc/21/05/21/872210521.db2.gz YLTHVYFTBXXVNS-JQFCIGGWSA-N 1 3 354.520 0.127 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)N1CCCCC1 ZINC001331469496 873116738 /nfs/dbraw/zinc/11/67/38/873116738.db2.gz HHLYOPHDTVOSBZ-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(CO)CCOCC3)CC2)CC1 ZINC001332889402 873701612 /nfs/dbraw/zinc/70/16/12/873701612.db2.gz NIXNFIWNJBCRAQ-UHFFFAOYSA-N 1 3 353.507 0.840 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCOC)C(N)=O)CC2)CC1 ZINC001332890746 873703280 /nfs/dbraw/zinc/70/32/80/873703280.db2.gz ZPYFPNUVCDCFRQ-INIZCTEOSA-N 1 3 354.495 0.189 20 0 FCADHO CCC1(N2CCC2)CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC001333278645 873890538 /nfs/dbraw/zinc/89/05/38/873890538.db2.gz GPLCNEVXIKWXAY-UHFFFAOYSA-N 1 3 357.520 0.630 20 0 FCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574721088 949810969 /nfs/dbraw/zinc/81/09/69/949810969.db2.gz IZXSOZGGTFXFSU-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574721088 949810990 /nfs/dbraw/zinc/81/09/90/949810990.db2.gz IZXSOZGGTFXFSU-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575099594 951837881 /nfs/dbraw/zinc/83/78/81/951837881.db2.gz NLNRGDOTBUCDOB-YPMHNXCESA-N 1 3 363.491 0.959 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575099594 951837887 /nfs/dbraw/zinc/83/78/87/951837887.db2.gz NLNRGDOTBUCDOB-YPMHNXCESA-N 1 3 363.491 0.959 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571064096 951970672 /nfs/dbraw/zinc/97/06/72/951970672.db2.gz RRTTVKYALOGXLO-DTZQCDIJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571064096 951970681 /nfs/dbraw/zinc/97/06/81/951970681.db2.gz RRTTVKYALOGXLO-DTZQCDIJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571064096 951970685 /nfs/dbraw/zinc/97/06/85/951970685.db2.gz RRTTVKYALOGXLO-DTZQCDIJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571064096 951970689 /nfs/dbraw/zinc/97/06/89/951970689.db2.gz RRTTVKYALOGXLO-DTZQCDIJSA-N 1 3 369.473 0.944 20 0 FCADHO CCN(CCO)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291713350 214052563 /nfs/dbraw/zinc/05/25/63/214052563.db2.gz DFHGGFLNKJGYLI-UHFFFAOYSA-N 1 3 367.494 0.526 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410911179 529900825 /nfs/dbraw/zinc/90/08/25/529900825.db2.gz CHHOLOKTHBEGFV-MRXNPFEDSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)N1CCC(C)CC1 ZINC000331600755 215021599 /nfs/dbraw/zinc/02/15/99/215021599.db2.gz ZRZGRAOLSNWCAG-IXDOHACOSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)N1CCC(C)CC1 ZINC000331600755 215021601 /nfs/dbraw/zinc/02/16/01/215021601.db2.gz ZRZGRAOLSNWCAG-IXDOHACOSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331684056 215033882 /nfs/dbraw/zinc/03/38/82/215033882.db2.gz SAQXMOKBENBOOF-XQLPTFJDSA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331684056 215033885 /nfs/dbraw/zinc/03/38/85/215033885.db2.gz SAQXMOKBENBOOF-XQLPTFJDSA-N 1 3 352.479 0.158 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000331691996 215035715 /nfs/dbraw/zinc/03/57/15/215035715.db2.gz VDWBQRSAUHCODY-RVKKMQEKSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000331691996 215035717 /nfs/dbraw/zinc/03/57/17/215035717.db2.gz VDWBQRSAUHCODY-RVKKMQEKSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000332509712 215162729 /nfs/dbraw/zinc/16/27/29/215162729.db2.gz YXDNQGHTCOLXQS-IXDOHACOSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333298079 215259510 /nfs/dbraw/zinc/25/95/10/215259510.db2.gz KANAQZPUBDYWJV-GOEBONIOSA-N 1 3 359.478 0.977 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333945494 215333273 /nfs/dbraw/zinc/33/32/73/215333273.db2.gz SXLRMVJYKSYUTM-OAGGEKHMSA-N 1 3 351.495 0.370 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334092658 215343848 /nfs/dbraw/zinc/34/38/48/215343848.db2.gz OTORRQQBZXKFFF-NPYXIHBLSA-N 1 3 363.506 0.560 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334092658 215343850 /nfs/dbraw/zinc/34/38/50/215343850.db2.gz OTORRQQBZXKFFF-NPYXIHBLSA-N 1 3 363.506 0.560 20 0 FCADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000360573847 215365798 /nfs/dbraw/zinc/36/57/98/215365798.db2.gz ULJQZWRYNDXJFS-GJZGRUSLSA-N 1 3 353.467 0.584 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000285157075 213293270 /nfs/dbraw/zinc/29/32/70/213293270.db2.gz ZIUUPGUNSWRMLQ-UHFFFAOYSA-N 1 3 364.465 0.926 20 0 FCADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000284727294 213206899 /nfs/dbraw/zinc/20/68/99/213206899.db2.gz GWPXFIIHFCXBSS-SFHVURJKSA-N 1 3 358.486 0.978 20 0 FCADHO COCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367195231 216089954 /nfs/dbraw/zinc/08/99/54/216089954.db2.gz HUOVYOKJKQCTMD-DLBZAZTESA-N 1 3 355.527 0.232 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCCN(C)C2)CC1=O ZINC000246595638 209392416 /nfs/dbraw/zinc/39/24/16/209392416.db2.gz FYTGTZPSCUDIES-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCCN(C)C2)CC1=O ZINC000246595638 209392422 /nfs/dbraw/zinc/39/24/22/209392422.db2.gz FYTGTZPSCUDIES-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO COCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245912086 209375872 /nfs/dbraw/zinc/37/58/72/209375872.db2.gz RJPKYIJSOJVRDG-ZWKOTPCHSA-N 1 3 364.490 0.499 20 0 FCADHO COCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245912086 209375874 /nfs/dbraw/zinc/37/58/74/209375874.db2.gz RJPKYIJSOJVRDG-ZWKOTPCHSA-N 1 3 364.490 0.499 20 0 FCADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)CC1 ZINC000193916545 209320603 /nfs/dbraw/zinc/32/06/03/209320603.db2.gz HCOZFGOIEQQHDN-UHFFFAOYSA-N 1 3 373.501 0.713 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C)CC1 ZINC000369048125 216340137 /nfs/dbraw/zinc/34/01/37/216340137.db2.gz SJSDQJMKIVYZHP-KURKYZTESA-N 1 3 367.538 0.421 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C)CC1 ZINC000369048125 216340141 /nfs/dbraw/zinc/34/01/41/216340141.db2.gz SJSDQJMKIVYZHP-KURKYZTESA-N 1 3 367.538 0.421 20 0 FCADHO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000188945330 209242623 /nfs/dbraw/zinc/24/26/23/209242623.db2.gz OSYLIRRXZMFLOJ-SJORKVTESA-N 1 3 369.554 0.357 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)N3CCOCC3)CC2)CC1 ZINC000371833498 216791110 /nfs/dbraw/zinc/79/11/10/216791110.db2.gz AKMVVMJHTSKSIN-UHFFFAOYSA-N 1 3 352.523 0.585 20 0 FCADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(Cc3cn4ccccc4n3)CC2)C1 ZINC000414684631 245309839 /nfs/dbraw/zinc/30/98/39/245309839.db2.gz WLRSKSZNUZAGCE-QGZVFWFLSA-N 1 3 370.501 0.649 20 0 FCADHO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)N(C)C ZINC000414685534 245310641 /nfs/dbraw/zinc/31/06/41/245310641.db2.gz ZOCSGAMQHOTZLR-ZBFHGGJFSA-N 1 3 361.490 0.929 20 0 FCADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415331819 245390609 /nfs/dbraw/zinc/39/06/09/245390609.db2.gz PLXLNAXUSVEEAO-QGZVFWFLSA-N 1 3 371.485 0.635 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)NC1CC[NH2+]CC1 ZINC000419033558 245948294 /nfs/dbraw/zinc/94/82/94/245948294.db2.gz LJRNDHALVVGVOK-UHFFFAOYSA-N 1 3 368.547 0.723 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419130467 246005635 /nfs/dbraw/zinc/00/56/35/246005635.db2.gz BDNHJHXAOQCTSS-CQSZACIVSA-N 1 3 352.504 0.802 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419131214 246006096 /nfs/dbraw/zinc/00/60/96/246006096.db2.gz CBPXZAIXWNOLLP-JKSUJKDBSA-N 1 3 362.474 0.629 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCNCc2cccnc2)C1 ZINC000419130070 246005305 /nfs/dbraw/zinc/00/53/05/246005305.db2.gz BZUWQMWMRKUBBB-DLBZAZTESA-N 1 3 361.490 0.667 20 0 FCADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419153376 246019923 /nfs/dbraw/zinc/01/99/23/246019923.db2.gz PQXKIFJUUWCQBL-CABCVRRESA-N 1 3 364.515 0.945 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000419135150 246009867 /nfs/dbraw/zinc/00/98/67/246009867.db2.gz KSKCWRLRLFLACX-VSZNYVQBSA-N 1 3 358.486 0.929 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419140039 246011401 /nfs/dbraw/zinc/01/14/01/246011401.db2.gz VJLFSVZDPDPYQS-HNNXBMFYSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419216430 246059337 /nfs/dbraw/zinc/05/93/37/246059337.db2.gz PNSKAXJQBHYPEE-ZBFHGGJFSA-N 1 3 362.474 0.439 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419213628 246060427 /nfs/dbraw/zinc/06/04/27/246060427.db2.gz LUUVCWXTGROPIB-INIZCTEOSA-N 1 3 362.474 0.454 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419223475 246063205 /nfs/dbraw/zinc/06/32/05/246063205.db2.gz DAMBXHVHIMUISW-SZMVWBNQSA-N 1 3 358.486 0.881 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419224942 246063499 /nfs/dbraw/zinc/06/34/99/246063499.db2.gz GFMKPSSWBWHXKG-QGZVFWFLSA-N 1 3 362.518 0.969 20 0 FCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419229636 246067404 /nfs/dbraw/zinc/06/74/04/246067404.db2.gz PBMDQZBLCDRWJR-RDJZCZTQSA-N 1 3 350.507 0.873 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000419227841 246067820 /nfs/dbraw/zinc/06/78/20/246067820.db2.gz LJNWLKGWHZBZKU-IXDOHACOSA-N 1 3 366.506 0.332 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)C[C@H]21 ZINC000419228625 246068421 /nfs/dbraw/zinc/06/84/21/246068421.db2.gz MOHKARMAIDUCAQ-XMTFNYHQSA-N 1 3 362.518 0.953 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000419235891 246071103 /nfs/dbraw/zinc/07/11/03/246071103.db2.gz ZPSYRZDDMUCYCI-JOCBIADPSA-N 1 3 358.486 0.819 20 0 FCADHO C[C@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419373733 246122202 /nfs/dbraw/zinc/12/22/02/246122202.db2.gz MXVNARRPZRXOMT-MAUKXSAKSA-N 1 3 372.513 0.706 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419375393 246123140 /nfs/dbraw/zinc/12/31/40/246123140.db2.gz QMNOCULNMFSZBO-MRXNPFEDSA-N 1 3 372.513 0.660 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419375392 246123637 /nfs/dbraw/zinc/12/36/37/246123637.db2.gz QMNOCULNMFSZBO-INIZCTEOSA-N 1 3 372.513 0.660 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000419376054 246124938 /nfs/dbraw/zinc/12/49/38/246124938.db2.gz RKRZWXKBBGHRIW-QGZVFWFLSA-N 1 3 358.486 0.542 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419409265 246140523 /nfs/dbraw/zinc/14/05/23/246140523.db2.gz MVPIKPUQUKMTEW-HNNXBMFYSA-N 1 3 350.507 0.825 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419410506 246143768 /nfs/dbraw/zinc/14/37/68/246143768.db2.gz OOQLQCAGODXIAW-QGZVFWFLSA-N 1 3 350.507 0.825 20 0 FCADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419420694 246155638 /nfs/dbraw/zinc/15/56/38/246155638.db2.gz KFUOQYQVRUDNFK-MAUKXSAKSA-N 1 3 358.486 0.795 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419426737 246157610 /nfs/dbraw/zinc/15/76/10/246157610.db2.gz QWBWQQSKCQEMHH-BPQIPLTHSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419655128 246232544 /nfs/dbraw/zinc/23/25/44/246232544.db2.gz HFQZYCGBAAQWJK-KBAYOESNSA-N 1 3 374.485 0.260 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419655128 246232549 /nfs/dbraw/zinc/23/25/49/246232549.db2.gz HFQZYCGBAAQWJK-KBAYOESNSA-N 1 3 374.485 0.260 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419624757 246222424 /nfs/dbraw/zinc/22/24/24/246222424.db2.gz AKJQNELCPVQNJR-CJNGLKHVSA-N 1 3 362.474 0.594 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](CN)C1 ZINC000419670310 246239301 /nfs/dbraw/zinc/23/93/01/246239301.db2.gz WSUSSNSDUICDQD-GJZGRUSLSA-N 1 3 354.495 0.189 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419720069 246270050 /nfs/dbraw/zinc/27/00/50/246270050.db2.gz DMJIAAFVWZALDW-HZPDHXFCSA-N 1 3 354.495 0.189 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419717890 246267413 /nfs/dbraw/zinc/26/74/13/246267413.db2.gz CILJPRZJYJUROC-ROUUACIJSA-N 1 3 370.497 0.835 20 0 FCADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419727494 246273147 /nfs/dbraw/zinc/27/31/47/246273147.db2.gz LNQQVUFHRATBHL-MAUKXSAKSA-N 1 3 374.485 0.514 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838032 246314872 /nfs/dbraw/zinc/31/48/72/246314872.db2.gz DXYMMQWICKSDLY-CQSZACIVSA-N 1 3 368.428 0.723 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000419847632 246319834 /nfs/dbraw/zinc/31/98/34/246319834.db2.gz TYDYEKGIKWKDPA-INIZCTEOSA-N 1 3 362.474 0.454 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419861141 246330786 /nfs/dbraw/zinc/33/07/86/246330786.db2.gz DQJUNGWLCKQNKM-MRXNPFEDSA-N 1 3 367.538 0.025 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419880796 246348136 /nfs/dbraw/zinc/34/81/36/246348136.db2.gz APVNLBWKJUTZCR-OAHLLOKOSA-N 1 3 350.438 0.584 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419884251 246349761 /nfs/dbraw/zinc/34/97/61/246349761.db2.gz FUFCAELUPWBQJY-UXLLHSPISA-N 1 3 366.506 0.202 20 0 FCADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419889297 246352049 /nfs/dbraw/zinc/35/20/49/246352049.db2.gz SAJFCZSHKBYDLG-NQIIRXRSSA-N 1 3 370.497 0.979 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000419969818 246393970 /nfs/dbraw/zinc/39/39/70/246393970.db2.gz CVTWAHNQFDBQJG-QGZVFWFLSA-N 1 3 364.490 0.685 20 0 FCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419973615 246396210 /nfs/dbraw/zinc/39/62/10/246396210.db2.gz GRDOJKPCQSAJID-HOTGVXAUSA-N 1 3 367.538 0.103 20 0 FCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419973775 246396807 /nfs/dbraw/zinc/39/68/07/246396807.db2.gz ILGVNPQYFMGJLG-IRXDYDNUSA-N 1 3 350.507 0.969 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000419939485 246378523 /nfs/dbraw/zinc/37/85/23/246378523.db2.gz JGIJARFVRFGEPX-AWEZNQCLSA-N 1 3 350.463 0.296 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000423156299 246970499 /nfs/dbraw/zinc/97/04/99/246970499.db2.gz RYHTWPNERKHOFK-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO COC[C@@]1(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]C1 ZINC000423360271 247011358 /nfs/dbraw/zinc/01/13/58/247011358.db2.gz QIWMYIKSWQTVEY-JTDSTZFVSA-N 1 3 353.507 0.960 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423358562 247011800 /nfs/dbraw/zinc/01/18/00/247011800.db2.gz BRRGWRITHSCDDZ-GJZGRUSLSA-N 1 3 364.515 0.706 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423573307 247058724 /nfs/dbraw/zinc/05/87/24/247058724.db2.gz WBRGPNDVJSABML-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423573307 247058729 /nfs/dbraw/zinc/05/87/29/247058729.db2.gz WBRGPNDVJSABML-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423583833 247062922 /nfs/dbraw/zinc/06/29/22/247062922.db2.gz BBLZKDNCNIFZCJ-HZPDHXFCSA-N 1 3 364.515 0.706 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000423608150 247073505 /nfs/dbraw/zinc/07/35/05/247073505.db2.gz KGBLJXXDGIWMLK-HIFRSBDPSA-N 1 3 352.504 0.834 20 0 FCADHO COCC[C@@]1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CC[NH2+]C1 ZINC000423758781 247139021 /nfs/dbraw/zinc/13/90/21/247139021.db2.gz NPVPGTLYOZDDCS-SFHVURJKSA-N 1 3 355.479 0.394 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423756205 247139034 /nfs/dbraw/zinc/13/90/34/247139034.db2.gz GITFHBDIAXEWPB-INIZCTEOSA-N 1 3 350.438 0.584 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)Cc1ccco1 ZINC000423700751 247116659 /nfs/dbraw/zinc/11/66/59/247116659.db2.gz UWZSPEZAMJLWEH-GOSISDBHSA-N 1 3 350.463 0.757 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@@H]1CN ZINC000423722506 247125962 /nfs/dbraw/zinc/12/59/62/247125962.db2.gz FXBYIWWCNBSLDR-DJIMGWMZSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@@H]1CN ZINC000423722506 247125967 /nfs/dbraw/zinc/12/59/67/247125967.db2.gz FXBYIWWCNBSLDR-DJIMGWMZSA-N 1 3 350.507 0.763 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423724428 247127101 /nfs/dbraw/zinc/12/71/01/247127101.db2.gz HELAWIADQMYRQS-GVDBMIGSSA-N 1 3 368.522 0.532 20 0 FCADHO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@@H]1CNCCO1 ZINC000423747786 247137631 /nfs/dbraw/zinc/13/76/31/247137631.db2.gz PZLYEEDWIHZODM-HZPDHXFCSA-N 1 3 355.479 0.631 20 0 FCADHO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@@H]1CNCCO1 ZINC000423747786 247137634 /nfs/dbraw/zinc/13/76/34/247137634.db2.gz PZLYEEDWIHZODM-HZPDHXFCSA-N 1 3 355.479 0.631 20 0 FCADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424518711 247248892 /nfs/dbraw/zinc/24/88/92/247248892.db2.gz IKSGXPGZTLGBHG-OKZBNKHCSA-N 1 3 356.470 0.588 20 0 FCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425382826 247329534 /nfs/dbraw/zinc/32/95/34/247329534.db2.gz IBODTRVCBBMEOV-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425382826 247329536 /nfs/dbraw/zinc/32/95/36/247329536.db2.gz IBODTRVCBBMEOV-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425382827 247330704 /nfs/dbraw/zinc/33/07/04/247330704.db2.gz IBODTRVCBBMEOV-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425382827 247330709 /nfs/dbraw/zinc/33/07/09/247330709.db2.gz IBODTRVCBBMEOV-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1=O ZINC000425310496 247321383 /nfs/dbraw/zinc/32/13/83/247321383.db2.gz FEKZRQRSOMTKIT-QGZVFWFLSA-N 1 3 368.522 0.402 20 0 FCADHO CN1CCN(CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1(C)C ZINC000442597539 248292255 /nfs/dbraw/zinc/29/22/55/248292255.db2.gz YKKVJBYRVPYEGN-UHFFFAOYSA-N 1 3 369.554 0.501 20 0 FCADHO CN1CCN(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1(C)C ZINC000442597539 248292258 /nfs/dbraw/zinc/29/22/58/248292258.db2.gz YKKVJBYRVPYEGN-UHFFFAOYSA-N 1 3 369.554 0.501 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000443633483 248334036 /nfs/dbraw/zinc/33/40/36/248334036.db2.gz QBCWTVMJZBKEIT-BRWVUGGUSA-N 1 3 367.538 0.911 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000443633483 248334038 /nfs/dbraw/zinc/33/40/38/248334038.db2.gz QBCWTVMJZBKEIT-BRWVUGGUSA-N 1 3 367.538 0.911 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039831 248346484 /nfs/dbraw/zinc/34/64/84/248346484.db2.gz YYEUQDKDNINUGF-LSDHHAIUSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000444039831 248346485 /nfs/dbraw/zinc/34/64/85/248346485.db2.gz YYEUQDKDNINUGF-LSDHHAIUSA-N 1 3 351.499 0.934 20 0 FCADHO CN(C[C@H](O)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038563 249343109 /nfs/dbraw/zinc/34/31/09/249343109.db2.gz NUVHVMDSVRFUHD-OKZBNKHCSA-N 1 3 357.454 0.559 20 0 FCADHO CN(C[C@H](O)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000453038563 249343113 /nfs/dbraw/zinc/34/31/13/249343113.db2.gz NUVHVMDSVRFUHD-OKZBNKHCSA-N 1 3 357.454 0.559 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000473935606 250257540 /nfs/dbraw/zinc/25/75/40/250257540.db2.gz BTUGZDFEQPGSJN-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000473935606 250257543 /nfs/dbraw/zinc/25/75/43/250257543.db2.gz BTUGZDFEQPGSJN-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCSC1 ZINC000481653288 250347874 /nfs/dbraw/zinc/34/78/74/250347874.db2.gz AQJKFQUKHPRMLH-WMLDXEAASA-N 1 3 371.551 0.310 20 0 FCADHO CN(C)[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCSC1 ZINC000481653288 250347878 /nfs/dbraw/zinc/34/78/78/250347878.db2.gz AQJKFQUKHPRMLH-WMLDXEAASA-N 1 3 371.551 0.310 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)CCSC1 ZINC000481784468 250360176 /nfs/dbraw/zinc/36/01/76/250360176.db2.gz SWOUJPYVORTXBE-QGZVFWFLSA-N 1 3 358.552 0.912 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCSC1 ZINC000481784468 250360180 /nfs/dbraw/zinc/36/01/80/250360180.db2.gz SWOUJPYVORTXBE-QGZVFWFLSA-N 1 3 358.552 0.912 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539417 250340601 /nfs/dbraw/zinc/34/06/01/250340601.db2.gz JFARQSHCAXNGIQ-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539417 250340603 /nfs/dbraw/zinc/34/06/03/250340603.db2.gz JFARQSHCAXNGIQ-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000482027128 250374594 /nfs/dbraw/zinc/37/45/94/250374594.db2.gz RWJNKSVDQIVHJU-UHFFFAOYSA-N 1 3 354.539 0.973 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000105319591 208199180 /nfs/dbraw/zinc/19/91/80/208199180.db2.gz WWYUECQBMLDLPH-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000105319591 208199185 /nfs/dbraw/zinc/19/91/85/208199185.db2.gz WWYUECQBMLDLPH-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[N@@H+]1C1CC1 ZINC000120595749 208385542 /nfs/dbraw/zinc/38/55/42/208385542.db2.gz UZWIKQNTDGLANQ-INMHGKMJSA-N 1 3 363.506 0.560 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[N@H+]1C1CC1 ZINC000120595749 208385548 /nfs/dbraw/zinc/38/55/48/208385548.db2.gz UZWIKQNTDGLANQ-INMHGKMJSA-N 1 3 363.506 0.560 20 0 FCADHO COC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000176382127 209003164 /nfs/dbraw/zinc/00/31/64/209003164.db2.gz VUDOMUWEAOQTST-QGZVFWFLSA-N 1 3 354.495 0.602 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000176603867 209005601 /nfs/dbraw/zinc/00/56/01/209005601.db2.gz HRIYTTBCXFGFLZ-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466550 230089843 /nfs/dbraw/zinc/08/98/43/230089843.db2.gz IZIZCYICTGPOLK-SJORKVTESA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCC1 ZINC000410956766 230325805 /nfs/dbraw/zinc/32/58/05/230325805.db2.gz ZKFQNWQPEUJCTQ-HOTGVXAUSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCC1 ZINC000410956766 230325810 /nfs/dbraw/zinc/32/58/10/230325810.db2.gz ZKFQNWQPEUJCTQ-HOTGVXAUSA-N 1 3 350.507 0.872 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278956731 488907475 /nfs/dbraw/zinc/90/74/75/488907475.db2.gz HQHVHCDSZMUOPD-CQSZACIVSA-N 1 3 362.478 0.113 20 0 FCADHO CN1CCN(CCCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000049279492 488094679 /nfs/dbraw/zinc/09/46/79/488094679.db2.gz XPALZNUCOADCKU-UHFFFAOYSA-N 1 3 361.490 0.440 20 0 FCADHO CN(CCNC(=O)c1cncc(C(=O)NCC[N@H+](C)C2CC2)c1)C1CC1 ZINC000066924024 488340628 /nfs/dbraw/zinc/34/06/28/488340628.db2.gz VIWDLDVEQBRWEC-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO CN(CCNC(=O)c1cncc(C(=O)NCC[N@@H+](C)C2CC2)c1)C1CC1 ZINC000066924024 488340630 /nfs/dbraw/zinc/34/06/30/488340630.db2.gz VIWDLDVEQBRWEC-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000562821341 491192768 /nfs/dbraw/zinc/19/27/68/491192768.db2.gz OCMZHGJSHCWWHF-ROUUACIJSA-N 1 3 373.501 0.041 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315938 488390089 /nfs/dbraw/zinc/39/00/89/488390089.db2.gz BROQIMZNGVPOQN-DLBZAZTESA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315938 488390090 /nfs/dbraw/zinc/39/00/90/488390090.db2.gz BROQIMZNGVPOQN-DLBZAZTESA-N 1 3 350.507 0.587 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000074371568 488391743 /nfs/dbraw/zinc/39/17/43/488391743.db2.gz IEOMREFNMYFIIQ-QZTJIDSGSA-N 1 3 369.554 0.528 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000554336682 491196222 /nfs/dbraw/zinc/19/62/22/491196222.db2.gz IJWPVQUBDCQYTB-OAGGEKHMSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000554336682 491196224 /nfs/dbraw/zinc/19/62/24/491196224.db2.gz IJWPVQUBDCQYTB-OAGGEKHMSA-N 1 3 354.495 0.155 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000077772402 488417700 /nfs/dbraw/zinc/41/77/00/488417700.db2.gz TZABJFHQFXMQGT-UHFFFAOYSA-N 1 3 359.478 0.902 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565260 488435929 /nfs/dbraw/zinc/43/59/29/488435929.db2.gz BQUOAMCRIQEFRU-HNNXBMFYSA-N 1 3 363.510 0.782 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnc2n1CCC2 ZINC000080565260 488435932 /nfs/dbraw/zinc/43/59/32/488435932.db2.gz BQUOAMCRIQEFRU-HNNXBMFYSA-N 1 3 363.510 0.782 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445215 488473127 /nfs/dbraw/zinc/47/31/27/488473127.db2.gz UJCVBHTUAMTGRM-MSOLQXFVSA-N 1 3 369.554 0.765 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000246445215 488473129 /nfs/dbraw/zinc/47/31/29/488473129.db2.gz UJCVBHTUAMTGRM-MSOLQXFVSA-N 1 3 369.554 0.765 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C[C@@H]3CNCCO3)c2)C1 ZINC000269256380 488483245 /nfs/dbraw/zinc/48/32/45/488483245.db2.gz JZOGMTKJCQJWKF-QZTJIDSGSA-N 1 3 374.485 0.379 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C[C@@H]3CNCCO3)c2)C1 ZINC000269256380 488483250 /nfs/dbraw/zinc/48/32/50/488483250.db2.gz JZOGMTKJCQJWKF-QZTJIDSGSA-N 1 3 374.485 0.379 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000247292881 488484213 /nfs/dbraw/zinc/48/42/13/488484213.db2.gz UGGSQASDEFATKS-WBVHZDCISA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000247292881 488484216 /nfs/dbraw/zinc/48/42/16/488484216.db2.gz UGGSQASDEFATKS-WBVHZDCISA-N 1 3 363.506 0.419 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000247665957 488489160 /nfs/dbraw/zinc/48/91/60/488489160.db2.gz YSGOVVAGILOHJM-FGTMMUONSA-N 1 3 368.522 0.726 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000248003075 488492890 /nfs/dbraw/zinc/49/28/90/488492890.db2.gz KOXKWTWCXGUHGI-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000248003075 488492892 /nfs/dbraw/zinc/49/28/92/488492892.db2.gz KOXKWTWCXGUHGI-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464688 488497467 /nfs/dbraw/zinc/49/74/67/488497467.db2.gz ZQGSLPYNDVMONX-IEBWSBKVSA-N 1 3 364.490 0.365 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000103301720 488500613 /nfs/dbraw/zinc/50/06/13/488500613.db2.gz WOUHPOYIJADAED-UHFFFAOYSA-N 1 3 363.506 0.563 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C[NH+]1CCCC1 ZINC000103308141 488500954 /nfs/dbraw/zinc/50/09/54/488500954.db2.gz SVJBXZMXEIJMNM-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000249110661 488506137 /nfs/dbraw/zinc/50/61/37/488506137.db2.gz MMCFDDPBRRJGLV-IRXDYDNUSA-N 1 3 369.554 0.357 20 0 FCADHO CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105318912 488508660 /nfs/dbraw/zinc/50/86/60/488508660.db2.gz XNUOQZLWPSTBML-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105318912 488508662 /nfs/dbraw/zinc/50/86/62/488508662.db2.gz XNUOQZLWPSTBML-RDJZCZTQSA-N 1 3 350.507 0.920 20 0 FCADHO COCCN(C)CCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000105233569 488508964 /nfs/dbraw/zinc/50/89/64/488508964.db2.gz PKMAPBWMFYUORC-ROUUACIJSA-N 1 3 369.554 0.765 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000554462047 491204079 /nfs/dbraw/zinc/20/40/79/491204079.db2.gz UGMJRGQCSLJDJW-ZMSDIMECSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000554462047 491204082 /nfs/dbraw/zinc/20/40/82/491204082.db2.gz UGMJRGQCSLJDJW-ZMSDIMECSA-N 1 3 350.507 0.966 20 0 FCADHO COc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000120156431 488560299 /nfs/dbraw/zinc/56/02/99/488560299.db2.gz HYWXOXKRJYFAIA-UHFFFAOYSA-N 1 3 361.450 0.236 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1)[C@H]1CCCN(C)C1 ZINC000262342594 488565196 /nfs/dbraw/zinc/56/51/96/488565196.db2.gz GIEVAIPNFNBUSZ-YESZJQIVSA-N 1 3 360.458 0.514 20 0 FCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000122359953 488577672 /nfs/dbraw/zinc/57/76/72/488577672.db2.gz GDPPMDNAGOYBRW-INIZCTEOSA-N 1 3 358.552 0.960 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530923 488586507 /nfs/dbraw/zinc/58/65/07/488586507.db2.gz AMFDAZRWZRTGCF-AWEZNQCLSA-N 1 3 360.462 0.511 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000272530923 488586509 /nfs/dbraw/zinc/58/65/09/488586509.db2.gz AMFDAZRWZRTGCF-AWEZNQCLSA-N 1 3 360.462 0.511 20 0 FCADHO Cc1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000262943906 488600425 /nfs/dbraw/zinc/60/04/25/488600425.db2.gz AIXUQYZMGNAXOC-INIZCTEOSA-N 1 3 350.467 0.496 20 0 FCADHO Cc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c(OCC[NH+](C)C)c1 ZINC000262949466 488600593 /nfs/dbraw/zinc/60/05/93/488600593.db2.gz BQUWSYOPGWCEQO-KRWDZBQOSA-N 1 3 350.463 0.973 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573051 488602362 /nfs/dbraw/zinc/60/23/62/488602362.db2.gz VNYXIIVCTXJPKO-MRXNPFEDSA-N 1 3 374.489 0.371 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000125573051 488602365 /nfs/dbraw/zinc/60/23/65/488602365.db2.gz VNYXIIVCTXJPKO-MRXNPFEDSA-N 1 3 374.489 0.371 20 0 FCADHO C[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCN(C)CC1 ZINC000263667978 488617282 /nfs/dbraw/zinc/61/72/82/488617282.db2.gz IGKLEEVMBIJYBD-SFHVURJKSA-N 1 3 374.533 0.346 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000130531841 488638339 /nfs/dbraw/zinc/63/83/39/488638339.db2.gz BVCVMDWFECMDTQ-UHFFFAOYSA-N 1 3 360.409 0.039 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCCN(C)C2)CC1=O ZINC000151148852 488702448 /nfs/dbraw/zinc/70/24/48/488702448.db2.gz FYTGTZPSCUDIES-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CCCN(C)C2)CC1=O ZINC000151148852 488702449 /nfs/dbraw/zinc/70/24/49/488702449.db2.gz FYTGTZPSCUDIES-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151157728 488702518 /nfs/dbraw/zinc/70/25/18/488702518.db2.gz RMROTVUAWAIAPO-AWEZNQCLSA-N 1 3 350.467 0.374 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c2)CC1 ZINC000274510844 488715401 /nfs/dbraw/zinc/71/54/01/488715401.db2.gz LHEDAEIIEOMXCZ-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000274537651 488717523 /nfs/dbraw/zinc/71/75/23/488717523.db2.gz VIZFYEDMWHOADB-UHFFFAOYSA-N 1 3 364.490 0.854 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000155138770 488751641 /nfs/dbraw/zinc/75/16/41/488751641.db2.gz ROPXZLHZJAYCOS-OAHLLOKOSA-N 1 3 364.494 0.477 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000155138770 488751643 /nfs/dbraw/zinc/75/16/43/488751643.db2.gz ROPXZLHZJAYCOS-OAHLLOKOSA-N 1 3 364.494 0.477 20 0 FCADHO CCN1CCN(CCC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000155639419 488757155 /nfs/dbraw/zinc/75/71/55/488757155.db2.gz RCRGDGQWDUWKIY-UHFFFAOYSA-N 1 3 363.506 0.666 20 0 FCADHO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000157330924 488770809 /nfs/dbraw/zinc/77/08/09/488770809.db2.gz OOOFLSSXOIIUBU-OAHLLOKOSA-N 1 3 351.520 0.872 20 0 FCADHO C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000167410728 488812275 /nfs/dbraw/zinc/81/22/75/488812275.db2.gz CROWUYSIROGSED-IRXDYDNUSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172789135 488837986 /nfs/dbraw/zinc/83/79/86/488837986.db2.gz FDKLNEMIHJCQKR-IBGZPJMESA-N 1 3 373.545 0.951 20 0 FCADHO COCC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000173398855 488842584 /nfs/dbraw/zinc/84/25/84/488842584.db2.gz QICMSEXQQDUFNG-MRXNPFEDSA-N 1 3 355.527 0.280 20 0 FCADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000173923419 488846213 /nfs/dbraw/zinc/84/62/13/488846213.db2.gz MHVKVMXFNZRYQN-KRWDZBQOSA-N 1 3 360.506 0.789 20 0 FCADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000173923419 488846214 /nfs/dbraw/zinc/84/62/14/488846214.db2.gz MHVKVMXFNZRYQN-KRWDZBQOSA-N 1 3 360.506 0.789 20 0 FCADHO CC1(C)CN(CCCN2CCOCC2)CC[N@@H+]1CCCN1CCOCC1 ZINC000174871439 488851688 /nfs/dbraw/zinc/85/16/88/488851688.db2.gz XXOFUPZVAJSZKC-UHFFFAOYSA-N 1 3 368.566 0.827 20 0 FCADHO CC1(C)CN(CCCN2CCOCC2)CC[N@H+]1CCCN1CCOCC1 ZINC000174871439 488851689 /nfs/dbraw/zinc/85/16/89/488851689.db2.gz XXOFUPZVAJSZKC-UHFFFAOYSA-N 1 3 368.566 0.827 20 0 FCADHO CN(C)Cc1cccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000176869359 488858945 /nfs/dbraw/zinc/85/89/45/488858945.db2.gz APESGXIFQGRPTG-UHFFFAOYSA-N 1 3 372.473 0.875 20 0 FCADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380972 488859444 /nfs/dbraw/zinc/85/94/44/488859444.db2.gz LDGPMVAVOZCYHO-AWEZNQCLSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381112 488859481 /nfs/dbraw/zinc/85/94/81/488859481.db2.gz OUHUOJAYYYEUON-OAHLLOKOSA-N 1 3 355.527 0.815 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000178472794 488860320 /nfs/dbraw/zinc/86/03/20/488860320.db2.gz ISLRIKXHAIDRKX-KRWDZBQOSA-N 1 3 352.523 0.630 20 0 FCADHO CN1CCN(CCCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000365413212 489073792 /nfs/dbraw/zinc/07/37/92/489073792.db2.gz HJNAIADPSIEGHM-UHFFFAOYSA-N 1 3 352.523 0.775 20 0 FCADHO CN(CCCN(C)CC(=O)NCc1ccc2c(c1)OCO2)CC[NH+](C)C ZINC000289583593 489078771 /nfs/dbraw/zinc/07/87/71/489078771.db2.gz ZDLVOMHQQVZLEF-UHFFFAOYSA-N 1 3 364.490 0.847 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298786 489089151 /nfs/dbraw/zinc/08/91/51/489089151.db2.gz HPKVNYGUGLDDAY-JKSUJKDBSA-N 1 3 366.506 0.108 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CCO1 ZINC000365805900 489115080 /nfs/dbraw/zinc/11/50/80/489115080.db2.gz DQMMWNNJFYZNNH-MRXNPFEDSA-N 1 3 365.478 0.494 20 0 FCADHO Cc1nnnn1-c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(F)c1 ZINC000570361682 491235949 /nfs/dbraw/zinc/23/59/49/491235949.db2.gz TTYZUJVTERFVHH-UHFFFAOYSA-N 1 3 363.441 0.675 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1N(C)C ZINC000331381239 489204101 /nfs/dbraw/zinc/20/41/01/489204101.db2.gz FNPUZAHQJSCVGP-RHSMWYFYSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000297604513 489212930 /nfs/dbraw/zinc/21/29/30/489212930.db2.gz BSBZEEFCPZCPOE-INIZCTEOSA-N 1 3 364.490 0.970 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000297604513 489212935 /nfs/dbraw/zinc/21/29/35/489212935.db2.gz BSBZEEFCPZCPOE-INIZCTEOSA-N 1 3 364.490 0.970 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820630 489278897 /nfs/dbraw/zinc/27/88/97/489278897.db2.gz CHSLUMQYJBPXJB-SJORKVTESA-N 1 3 353.511 0.129 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820630 489278900 /nfs/dbraw/zinc/27/89/00/489278900.db2.gz CHSLUMQYJBPXJB-SJORKVTESA-N 1 3 353.511 0.129 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298204323 489303722 /nfs/dbraw/zinc/30/37/22/489303722.db2.gz XTKZGQYZPUGJQX-SFHVURJKSA-N 1 3 360.502 0.987 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298204323 489303724 /nfs/dbraw/zinc/30/37/24/489303724.db2.gz XTKZGQYZPUGJQX-SFHVURJKSA-N 1 3 360.502 0.987 20 0 FCADHO CN[C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000286153125 489362144 /nfs/dbraw/zinc/36/21/44/489362144.db2.gz PYQAIJTYQOHPBE-SFHVURJKSA-N 1 3 371.489 0.404 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000286382478 489385627 /nfs/dbraw/zinc/38/56/27/489385627.db2.gz CHCRIRRSPVARBG-OAHLLOKOSA-N 1 3 360.502 0.658 20 0 FCADHO CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000370682498 489389287 /nfs/dbraw/zinc/38/92/87/489389287.db2.gz OCWKYADUYILZJP-INIZCTEOSA-N 1 3 370.563 0.826 20 0 FCADHO Cc1nn(C)c(C)c1C(=O)C(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000299445147 489442542 /nfs/dbraw/zinc/44/25/42/489442542.db2.gz YUDCZNJHVACZLH-UHFFFAOYSA-N 1 3 351.495 0.952 20 0 FCADHO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CNC1 ZINC000563620369 491258911 /nfs/dbraw/zinc/25/89/11/491258911.db2.gz KXFCQGSNDLVEMF-UHFFFAOYSA-N 1 3 374.485 0.262 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363466100 489469645 /nfs/dbraw/zinc/46/96/45/489469645.db2.gz BQDUCOHYHWRDHL-SFHVURJKSA-N 1 3 352.523 0.724 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423219442 489504869 /nfs/dbraw/zinc/50/48/69/489504869.db2.gz WSOXYJGJYDDOFC-CVEARBPZSA-N 1 3 354.495 0.143 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CCCC2)CC1 ZINC000570720496 491260371 /nfs/dbraw/zinc/26/03/71/491260371.db2.gz GBFROUOBHCEUNC-GJZGRUSLSA-N 1 3 368.522 0.768 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000415465634 489523230 /nfs/dbraw/zinc/52/32/30/489523230.db2.gz SKDXSHRJYZLZIH-DOMZBBRYSA-N 1 3 366.437 0.900 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000415508810 489525872 /nfs/dbraw/zinc/52/58/72/489525872.db2.gz GEWFASXWOYXPDC-AWEZNQCLSA-N 1 3 361.490 0.786 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)c2)CC1 ZINC000415570400 489531243 /nfs/dbraw/zinc/53/12/43/489531243.db2.gz LYAKKEWKYGKEJG-CVEARBPZSA-N 1 3 373.501 0.963 20 0 FCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415725091 489546434 /nfs/dbraw/zinc/54/64/34/489546434.db2.gz MBBOVUDZPZZNLR-KRWDZBQOSA-N 1 3 373.501 0.235 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000415816723 489554777 /nfs/dbraw/zinc/55/47/77/489554777.db2.gz OSINKTNNUBAUSC-DOMZBBRYSA-N 1 3 364.421 0.525 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)c2)CC1 ZINC000415832690 489556988 /nfs/dbraw/zinc/55/69/88/489556988.db2.gz HAVUGDHQARCZSB-RHSMWYFYSA-N 1 3 359.474 0.573 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415861202 489560601 /nfs/dbraw/zinc/56/06/01/489560601.db2.gz IQVFBFIADKSIAS-SFHVURJKSA-N 1 3 374.485 0.758 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415957717 489565903 /nfs/dbraw/zinc/56/59/03/489565903.db2.gz UWGQTVHKQKCRJH-HNNXBMFYSA-N 1 3 365.482 0.365 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005281 489567598 /nfs/dbraw/zinc/56/75/98/489567598.db2.gz JMHZBSYIXHFZHN-STQMWFEESA-N 1 3 353.433 0.839 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786005 491264272 /nfs/dbraw/zinc/26/42/72/491264272.db2.gz REYOBOXEXUUJON-UONOGXRCSA-N 1 3 365.444 0.947 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591692 489614725 /nfs/dbraw/zinc/61/47/25/489614725.db2.gz MMTCUUGOVFLXLX-XJKSGUPXSA-N 1 3 374.489 0.687 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427591690 489614813 /nfs/dbraw/zinc/61/48/13/489614813.db2.gz MMTCUUGOVFLXLX-CJNGLKHVSA-N 1 3 374.489 0.687 20 0 FCADHO CN(C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810608 489629946 /nfs/dbraw/zinc/62/99/46/489629946.db2.gz QYGVCYUVYXYTQM-DLBZAZTESA-N 1 3 361.490 0.786 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000416831350 489631283 /nfs/dbraw/zinc/63/12/83/489631283.db2.gz BBRGEVSVELNMRQ-MSOLQXFVSA-N 1 3 373.501 0.757 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030850 489639296 /nfs/dbraw/zinc/63/92/96/489639296.db2.gz PSTIGWITMCEHQI-KBPBESRZSA-N 1 3 365.444 0.996 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417360760 489649720 /nfs/dbraw/zinc/64/97/20/489649720.db2.gz BJODAFCNMFCROT-SJORKVTESA-N 1 3 360.506 0.972 20 0 FCADHO C[C@@H]1NCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000417363647 489649775 /nfs/dbraw/zinc/64/97/75/489649775.db2.gz AUPBRSUSPGMPMB-IRXDYDNUSA-N 1 3 360.506 0.986 20 0 FCADHO C[C@@H]1CN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000417383752 489651122 /nfs/dbraw/zinc/65/11/22/489651122.db2.gz KQDZIJUCCNJRPM-SJLPKXTDSA-N 1 3 360.506 0.972 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417428142 489652882 /nfs/dbraw/zinc/65/28/82/489652882.db2.gz KFBUEXNQMOXLCF-HZPDHXFCSA-N 1 3 353.511 0.761 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000417431871 489652898 /nfs/dbraw/zinc/65/28/98/489652898.db2.gz RVVOTXKRLKBIHI-KRWDZBQOSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417434204 489653219 /nfs/dbraw/zinc/65/32/19/489653219.db2.gz WUUXBAXYLXUTNN-BRWVUGGUSA-N 1 3 367.538 0.993 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417433072 489653294 /nfs/dbraw/zinc/65/32/94/489653294.db2.gz UWSUKCIHBPNQGV-HZMVEIRTSA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000417435424 489653377 /nfs/dbraw/zinc/65/33/77/489653377.db2.gz YODFDOJKDHMHHU-OWCLPIDISA-N 1 3 353.511 0.555 20 0 FCADHO COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000417497470 489656239 /nfs/dbraw/zinc/65/62/39/489656239.db2.gz BBTGARGSKRGLBL-ZWKOTPCHSA-N 1 3 364.490 0.984 20 0 FCADHO COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000417497470 489656243 /nfs/dbraw/zinc/65/62/43/489656243.db2.gz BBTGARGSKRGLBL-ZWKOTPCHSA-N 1 3 364.490 0.984 20 0 FCADHO C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C1CC1 ZINC000417550840 489658120 /nfs/dbraw/zinc/65/81/20/489658120.db2.gz MMTMRQTVZVDOJJ-WCQYABFASA-N 1 3 351.417 0.604 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417559787 489658495 /nfs/dbraw/zinc/65/84/95/489658495.db2.gz IWPODKXGYQPMLN-WKILWMFISA-N 1 3 367.538 0.993 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373128098 489671402 /nfs/dbraw/zinc/67/14/02/489671402.db2.gz YIHDHQAEJMPLNA-IRXDYDNUSA-N 1 3 353.511 0.129 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373128098 489671404 /nfs/dbraw/zinc/67/14/04/489671404.db2.gz YIHDHQAEJMPLNA-IRXDYDNUSA-N 1 3 353.511 0.129 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000555747197 491270333 /nfs/dbraw/zinc/27/03/33/491270333.db2.gz SJYJHIZACJTFTI-KRWDZBQOSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000555747197 491270334 /nfs/dbraw/zinc/27/03/34/491270334.db2.gz SJYJHIZACJTFTI-KRWDZBQOSA-N 1 3 358.486 0.965 20 0 FCADHO O=C(NCCCN1CC[NH2+]CC1)NCC1CCN(c2ccncc2)CC1 ZINC000417974480 489673647 /nfs/dbraw/zinc/67/36/47/489673647.db2.gz WOTWRYONYQHQMC-UHFFFAOYSA-N 1 3 360.506 0.893 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000458230710 489674216 /nfs/dbraw/zinc/67/42/16/489674216.db2.gz GTURAQARYGCZDO-KRWDZBQOSA-N 1 3 356.511 0.633 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555758632 491270952 /nfs/dbraw/zinc/27/09/52/491270952.db2.gz RYQBXMNYEXURLQ-UHFFFAOYSA-N 1 3 368.522 0.548 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418297137 489689138 /nfs/dbraw/zinc/68/91/38/489689138.db2.gz KMMFYXGINJOMPE-IBGZPJMESA-N 1 3 374.533 0.983 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418352165 489693226 /nfs/dbraw/zinc/69/32/26/489693226.db2.gz SLKJBCGJFYCUDO-INIZCTEOSA-N 1 3 353.511 0.572 20 0 FCADHO CCN(CCO)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418562247 489707263 /nfs/dbraw/zinc/70/72/63/489707263.db2.gz QTISSHVYWRPKOO-ROUUACIJSA-N 1 3 364.490 0.754 20 0 FCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418570862 489707998 /nfs/dbraw/zinc/70/79/98/489707998.db2.gz RBOPWSXULUOPAN-SKDZVZGDSA-N 1 3 368.428 0.776 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000418715157 489719643 /nfs/dbraw/zinc/71/96/43/489719643.db2.gz IGDNGBUVUAZFCI-HZPDHXFCSA-N 1 3 351.495 0.454 20 0 FCADHO O=C(CNC(=O)NCCC[C@@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000418752266 489721949 /nfs/dbraw/zinc/72/19/49/489721949.db2.gz SUJJSXKDKBEKEC-INIZCTEOSA-N 1 3 353.511 0.810 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000418786904 489727743 /nfs/dbraw/zinc/72/77/43/489727743.db2.gz STKQVLUCUFJPNB-KRWDZBQOSA-N 1 3 373.501 0.265 20 0 FCADHO C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459539821 489738140 /nfs/dbraw/zinc/73/81/40/489738140.db2.gz QCVFLVQTUVAHGC-NVXWUHKLSA-N 1 3 354.520 0.883 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000570991088 491278629 /nfs/dbraw/zinc/27/86/29/491278629.db2.gz TXQDWFYYGDVKCC-DLBZAZTESA-N 1 3 350.507 0.779 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(OCCC[NH3+])CC2)C1 ZINC000430589008 489749345 /nfs/dbraw/zinc/74/93/45/489749345.db2.gz GSTDGFQQVWQRGB-SFHVURJKSA-N 1 3 370.538 0.289 20 0 FCADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620868 489756009 /nfs/dbraw/zinc/75/60/09/489756009.db2.gz IKIQKWQGZQREMQ-ZBFHGGJFSA-N 1 3 364.465 0.960 20 0 FCADHO C[C@@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430632675 489758748 /nfs/dbraw/zinc/75/87/48/489758748.db2.gz ZAOPKQNWAFQKGN-OLZOCXBDSA-N 1 3 368.503 0.570 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856027 489759730 /nfs/dbraw/zinc/75/97/30/489759730.db2.gz WFBXBNWIDKLRGS-ZWKOTPCHSA-N 1 3 360.502 0.863 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000418859306 489761695 /nfs/dbraw/zinc/76/16/95/489761695.db2.gz KQFLSUWWOAKITB-KSZLIROESA-N 1 3 358.486 0.864 20 0 FCADHO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(C[NH3+])CC1 ZINC000430668629 489763050 /nfs/dbraw/zinc/76/30/50/489763050.db2.gz RPJNHUMLFDKKCH-ZDUSSCGKSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418879001 489771209 /nfs/dbraw/zinc/77/12/09/489771209.db2.gz MVLMNFUEPWSAGQ-ZBFHGGJFSA-N 1 3 354.495 0.237 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418881643 489773593 /nfs/dbraw/zinc/77/35/93/489773593.db2.gz XSXAFXYKDVYDMW-MSOLQXFVSA-N 1 3 360.502 0.781 20 0 FCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418881645 489773723 /nfs/dbraw/zinc/77/37/23/489773723.db2.gz XSXAFXYKDVYDMW-QZTJIDSGSA-N 1 3 360.502 0.781 20 0 FCADHO C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430932015 489778558 /nfs/dbraw/zinc/77/85/58/489778558.db2.gz DCPQUYLLAPBQBG-XJKSGUPXSA-N 1 3 368.503 0.052 20 0 FCADHO CC(C)N(CCCNC(=O)CN1CCC2(CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000431027319 489785800 /nfs/dbraw/zinc/78/58/00/489785800.db2.gz ILNFIPZORDABLU-UHFFFAOYSA-N 1 3 374.551 0.238 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000459925781 489795964 /nfs/dbraw/zinc/79/59/64/489795964.db2.gz UODQIYKNFZGNBF-MRXNPFEDSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000460001570 489814962 /nfs/dbraw/zinc/81/49/62/489814962.db2.gz YZUURTCLRYSDEY-IAGOWNOFSA-N 1 3 350.507 0.731 20 0 FCADHO CN(CCCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000419004306 489815124 /nfs/dbraw/zinc/81/51/24/489815124.db2.gz QYCDZCMSDOXJFA-HXUWFJFHSA-N 1 3 358.486 0.837 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000460008855 489817337 /nfs/dbraw/zinc/81/73/37/489817337.db2.gz FPRXVYITGAPVJF-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000460008855 489817339 /nfs/dbraw/zinc/81/73/39/489817339.db2.gz FPRXVYITGAPVJF-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000563976881 491281219 /nfs/dbraw/zinc/28/12/19/491281219.db2.gz PXRHWNAMEVABTM-QMCVQRASSA-N 1 3 359.474 0.631 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033682 489826608 /nfs/dbraw/zinc/82/66/08/489826608.db2.gz YPKFTTHTHCADDD-OWCLPIDISA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419047678 489834341 /nfs/dbraw/zinc/83/43/41/489834341.db2.gz YOFPOGRUNHHUKN-HZPDHXFCSA-N 1 3 368.522 0.578 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069858 489844382 /nfs/dbraw/zinc/84/43/82/489844382.db2.gz GQSKGAORGYWPJC-CZUORRHYSA-N 1 3 350.463 0.658 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551378 489847655 /nfs/dbraw/zinc/84/76/55/489847655.db2.gz DVFYTWLHHGYPQK-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCCO1 ZINC000432551378 489847660 /nfs/dbraw/zinc/84/76/60/489847660.db2.gz DVFYTWLHHGYPQK-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000460081770 489847649 /nfs/dbraw/zinc/84/76/49/489847649.db2.gz YOGXQYFZIFQOTN-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000460277979 489861450 /nfs/dbraw/zinc/86/14/50/489861450.db2.gz UKXIAHHZDYNHFD-BQFCYCMXSA-N 1 3 354.495 0.120 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420027645 489885135 /nfs/dbraw/zinc/88/51/35/489885135.db2.gz DAXKXFSEABFWPP-CABCVRRESA-N 1 3 356.511 0.796 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433467057 489888441 /nfs/dbraw/zinc/88/84/41/489888441.db2.gz PHWPKZLTOREUFO-QZTJIDSGSA-N 1 3 370.538 0.879 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420043632 489891682 /nfs/dbraw/zinc/89/16/82/489891682.db2.gz SBKYOTANZRKLAD-HUUCEWRRSA-N 1 3 354.495 0.550 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@@H]1C ZINC000420047035 489892828 /nfs/dbraw/zinc/89/28/28/489892828.db2.gz VWHQYEQZHBQIIZ-XGUBFFRZSA-N 1 3 354.495 0.547 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C[C@@H]1C ZINC000420047035 489892829 /nfs/dbraw/zinc/89/28/29/489892829.db2.gz VWHQYEQZHBQIIZ-XGUBFFRZSA-N 1 3 354.495 0.547 20 0 FCADHO NC[C@@H](NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069807 489902617 /nfs/dbraw/zinc/90/26/17/489902617.db2.gz WBBBYJGVCMBMPF-FGTMMUONSA-N 1 3 356.470 0.430 20 0 FCADHO NC[C@@H](NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000420069807 489902621 /nfs/dbraw/zinc/90/26/21/489902621.db2.gz WBBBYJGVCMBMPF-FGTMMUONSA-N 1 3 356.470 0.430 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420069216 489902740 /nfs/dbraw/zinc/90/27/40/489902740.db2.gz VNMMYJPCABRDPI-MSOLQXFVSA-N 1 3 373.501 0.748 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420075460 489904108 /nfs/dbraw/zinc/90/41/08/489904108.db2.gz SMRVJANHNWNPQF-WBVHZDCISA-N 1 3 350.507 0.810 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420075460 489904113 /nfs/dbraw/zinc/90/41/13/489904113.db2.gz SMRVJANHNWNPQF-WBVHZDCISA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420088777 489907203 /nfs/dbraw/zinc/90/72/03/489907203.db2.gz INQARNYWRQEJAW-GASCZTMLSA-N 1 3 366.506 0.332 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086801 489907264 /nfs/dbraw/zinc/90/72/64/489907264.db2.gz DNCIGQXZMISFIO-QGZVFWFLSA-N 1 3 373.501 0.892 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420089699 489908032 /nfs/dbraw/zinc/90/80/32/489908032.db2.gz FYCMVRGQWOMACQ-BBRMVZONSA-N 1 3 368.428 0.547 20 0 FCADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093277 489909358 /nfs/dbraw/zinc/90/93/58/489909358.db2.gz PKKDCGMVDRUVCY-QGZVFWFLSA-N 1 3 373.501 0.892 20 0 FCADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420166309 489937385 /nfs/dbraw/zinc/93/73/85/489937385.db2.gz OBKDMPUYMGAJQY-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000477093655 489941328 /nfs/dbraw/zinc/94/13/28/489941328.db2.gz DVHKXGSCHGPFIN-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000420176085 489941415 /nfs/dbraw/zinc/94/14/15/489941415.db2.gz ZCEDGFVRYZZIIQ-KRWDZBQOSA-N 1 3 368.522 0.309 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189155 489945842 /nfs/dbraw/zinc/94/58/42/489945842.db2.gz NRQGSNWTDLBYFK-QGZVFWFLSA-N 1 3 368.522 0.452 20 0 FCADHO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000420192862 489947259 /nfs/dbraw/zinc/94/72/59/489947259.db2.gz INYGPOCKJLTKHF-JKSUJKDBSA-N 1 3 354.495 0.108 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798582 489959487 /nfs/dbraw/zinc/95/94/87/489959487.db2.gz KEBYXIOAWOOVSD-HZPDHXFCSA-N 1 3 362.522 0.795 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000377798582 489959491 /nfs/dbraw/zinc/95/94/91/489959491.db2.gz KEBYXIOAWOOVSD-HZPDHXFCSA-N 1 3 362.522 0.795 20 0 FCADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420345301 489965696 /nfs/dbraw/zinc/96/56/96/489965696.db2.gz ALOYISKPPJQQCR-RTBURBONSA-N 1 3 359.518 0.385 20 0 FCADHO c1nc(N2CCOCC2)cc(N2CCN(CCC3CC[NH2+]CC3)CC2)n1 ZINC000420359446 489967450 /nfs/dbraw/zinc/96/74/50/489967450.db2.gz KOPVTPYWSPKLIM-UHFFFAOYSA-N 1 3 360.506 0.825 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(OC)CCOC1 ZINC000462325048 489969557 /nfs/dbraw/zinc/96/95/57/489969557.db2.gz FAMSTINVMFWLCM-FUHWJXTLSA-N 1 3 356.511 0.849 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(OC)CCOC1 ZINC000462325048 489969563 /nfs/dbraw/zinc/96/95/63/489969563.db2.gz FAMSTINVMFWLCM-FUHWJXTLSA-N 1 3 356.511 0.849 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000420437191 489976328 /nfs/dbraw/zinc/97/63/28/489976328.db2.gz UQUHLBHLZHVRNE-HNNXBMFYSA-N 1 3 357.524 0.954 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420436528 489976374 /nfs/dbraw/zinc/97/63/74/489976374.db2.gz AYPGGOGMWPTSKE-OAHLLOKOSA-N 1 3 357.524 0.872 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000477649371 489981892 /nfs/dbraw/zinc/98/18/92/489981892.db2.gz DHMFGJMBLBVREA-UHFFFAOYSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCO[C@H](C[NH3+])C1 ZINC000478265233 490013021 /nfs/dbraw/zinc/01/30/21/490013021.db2.gz FVVGRCGYBFOVOS-QFBILLFUSA-N 1 3 360.502 0.815 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000420797389 490023055 /nfs/dbraw/zinc/02/30/55/490023055.db2.gz WHFPHTDHFIKLFW-UHFFFAOYSA-N 1 3 352.504 0.849 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C1 ZINC000478794112 490037969 /nfs/dbraw/zinc/03/79/69/490037969.db2.gz HGYZPKYFMUDJLO-HOTGVXAUSA-N 1 3 355.527 0.109 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395850 490059067 /nfs/dbraw/zinc/05/90/67/490059067.db2.gz CDHAAGVIEPABTQ-SJORKVTESA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000571280978 491297646 /nfs/dbraw/zinc/29/76/46/491297646.db2.gz YKOBBBQFPSLYAF-MRXNPFEDSA-N 1 3 372.473 0.901 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000506429929 490090555 /nfs/dbraw/zinc/09/05/55/490090555.db2.gz PQQFSZZRTOXTDE-SFHVURJKSA-N 1 3 372.513 0.754 20 0 FCADHO COCCC(=O)N1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000532666404 490092666 /nfs/dbraw/zinc/09/26/66/490092666.db2.gz LKXNRLYXEPYBDP-UHFFFAOYSA-N 1 3 371.526 0.149 20 0 FCADHO CC[NH+]1CCN(CCCCNC(=O)N2CCN(C[C@H](C)O)CC2)CC1 ZINC000479731348 490119138 /nfs/dbraw/zinc/11/91/38/490119138.db2.gz VKDXUBZQOFSABG-KRWDZBQOSA-N 1 3 355.527 0.112 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1CSCCN1C(=O)C[NH+](CC)CC ZINC000497081016 490137101 /nfs/dbraw/zinc/13/71/01/490137101.db2.gz QOSWZLKXZWVIBC-OAHLLOKOSA-N 1 3 358.552 0.730 20 0 FCADHO CCN(CC)CC(=O)N1CCSC[C@H]1CNC(=O)C[NH+](CC)CC ZINC000497081016 490137106 /nfs/dbraw/zinc/13/71/06/490137106.db2.gz QOSWZLKXZWVIBC-OAHLLOKOSA-N 1 3 358.552 0.730 20 0 FCADHO CCN(CC)CC(=O)NC[C@H]1CSCCN1C(=O)C[NH+](CC)CC ZINC000497081013 490137978 /nfs/dbraw/zinc/13/79/78/490137978.db2.gz QOSWZLKXZWVIBC-HNNXBMFYSA-N 1 3 358.552 0.730 20 0 FCADHO CCN(CC)CC(=O)N1CCSC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC000497081013 490137984 /nfs/dbraw/zinc/13/79/84/490137984.db2.gz QOSWZLKXZWVIBC-HNNXBMFYSA-N 1 3 358.552 0.730 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927919 490152633 /nfs/dbraw/zinc/15/26/33/490152633.db2.gz GEXAJRVJUBBNBW-OAHLLOKOSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927919 490152640 /nfs/dbraw/zinc/15/26/40/490152640.db2.gz GEXAJRVJUBBNBW-OAHLLOKOSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000446801194 490165241 /nfs/dbraw/zinc/16/52/41/490165241.db2.gz IKKKUQJIZHSSPI-LSDHHAIUSA-N 1 3 364.494 0.714 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000446801194 490165250 /nfs/dbraw/zinc/16/52/50/490165250.db2.gz IKKKUQJIZHSSPI-LSDHHAIUSA-N 1 3 364.494 0.714 20 0 FCADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012270 490166841 /nfs/dbraw/zinc/16/68/41/490166841.db2.gz UDVWRPDELLQQBF-FUHWJXTLSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012270 490166846 /nfs/dbraw/zinc/16/68/46/490166846.db2.gz UDVWRPDELLQQBF-FUHWJXTLSA-N 1 3 358.486 0.835 20 0 FCADHO CCO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@]12CCCO2 ZINC000546137279 490193867 /nfs/dbraw/zinc/19/38/67/490193867.db2.gz NNZQLCYIFARKKD-LZLYRXPVSA-N 1 3 356.511 0.848 20 0 FCADHO CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@]12CCCO2 ZINC000546137280 490194703 /nfs/dbraw/zinc/19/47/03/490194703.db2.gz NNZQLCYIFARKKD-NUJGCVRESA-N 1 3 356.511 0.848 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577750 490196247 /nfs/dbraw/zinc/19/62/47/490196247.db2.gz YXKQFOULKVCNRR-SJLPKXTDSA-N 1 3 367.538 0.158 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466577750 490196255 /nfs/dbraw/zinc/19/62/55/490196255.db2.gz YXKQFOULKVCNRR-SJLPKXTDSA-N 1 3 367.538 0.158 20 0 FCADHO CSCC[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000571477420 491310537 /nfs/dbraw/zinc/31/05/37/491310537.db2.gz APRUMTXFBQUNRW-INIZCTEOSA-N 1 3 370.563 0.908 20 0 FCADHO CSCC[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000571477423 491310569 /nfs/dbraw/zinc/31/05/69/491310569.db2.gz APRUMTXFBQUNRW-MRXNPFEDSA-N 1 3 370.563 0.908 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000521339001 490249776 /nfs/dbraw/zinc/24/97/76/490249776.db2.gz DXBWWYGKTIOUHD-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000521339001 490249780 /nfs/dbraw/zinc/24/97/80/490249780.db2.gz DXBWWYGKTIOUHD-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H]1C ZINC000521591431 490278542 /nfs/dbraw/zinc/27/85/42/490278542.db2.gz WMCFDJGNHLLYBW-FVPDABNVSA-N 1 3 351.495 0.462 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448322351 490333869 /nfs/dbraw/zinc/33/38/69/490333869.db2.gz QWLCTJJNQCZHMK-CQSZACIVSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411339591 490433901 /nfs/dbraw/zinc/43/39/01/490433901.db2.gz LZVFLAYBKIYRRX-UHFFFAOYSA-N 1 3 354.426 0.725 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000509705718 490454092 /nfs/dbraw/zinc/45/40/92/490454092.db2.gz HTRVIBOKSQACOR-KRWDZBQOSA-N 1 3 368.522 0.261 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000571787669 491329225 /nfs/dbraw/zinc/32/92/25/491329225.db2.gz QUOVENQHOGIPMI-NJNCZSALSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787669 491329226 /nfs/dbraw/zinc/32/92/26/491329226.db2.gz QUOVENQHOGIPMI-NJNCZSALSA-N 1 3 368.522 0.350 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1[C@H](C)CC(=O)C[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000571787669 491329227 /nfs/dbraw/zinc/32/92/27/491329227.db2.gz QUOVENQHOGIPMI-NJNCZSALSA-N 1 3 368.522 0.350 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CCC(C)(C)C)CC2)CC1=O ZINC000510394958 490513478 /nfs/dbraw/zinc/51/34/78/490513478.db2.gz HXGGSDGJSHEKNS-INIZCTEOSA-N 1 3 352.523 0.977 20 0 FCADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000485482529 490533504 /nfs/dbraw/zinc/53/35/04/490533504.db2.gz SVAGQBYMDFHTAH-IAGOWNOFSA-N 1 3 366.506 0.081 20 0 FCADHO CN(C)CCOC1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000536228624 490562518 /nfs/dbraw/zinc/56/25/18/490562518.db2.gz VXWNXVXERQVBML-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO CC1CCN(C[C@H](O)CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000536227775 490562963 /nfs/dbraw/zinc/56/29/63/490562963.db2.gz QMAFSJYKPZXJQF-GOSISDBHSA-N 1 3 369.554 0.404 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000564913666 491336204 /nfs/dbraw/zinc/33/62/04/491336204.db2.gz RFCZCMHOWFMBDS-HOCLYGCPSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410158 490592744 /nfs/dbraw/zinc/59/27/44/490592744.db2.gz MYOZHKNERLXMCI-GDBMZVCRSA-N 1 3 351.495 0.523 20 0 FCADHO C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410158 490592747 /nfs/dbraw/zinc/59/27/47/490592747.db2.gz MYOZHKNERLXMCI-GDBMZVCRSA-N 1 3 351.495 0.523 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564934420 491338260 /nfs/dbraw/zinc/33/82/60/491338260.db2.gz NQFHVADTXSIXHI-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@H+](CC3CCC3)CC2)CC1=O ZINC000549720722 490596385 /nfs/dbraw/zinc/59/63/85/490596385.db2.gz PFTDNCGSHVCOJQ-KRWDZBQOSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1=O ZINC000549720722 490596389 /nfs/dbraw/zinc/59/63/89/490596389.db2.gz PFTDNCGSHVCOJQ-KRWDZBQOSA-N 1 3 350.507 0.731 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589250 490619635 /nfs/dbraw/zinc/61/96/35/490619635.db2.gz ODWZRGRNOLICRE-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO CC(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1C ZINC000486461226 490632886 /nfs/dbraw/zinc/63/28/86/490632886.db2.gz ANQVBKUVWVYTKW-IAGOWNOFSA-N 1 3 367.538 0.911 20 0 FCADHO CC(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1C ZINC000486461226 490632893 /nfs/dbraw/zinc/63/28/93/490632893.db2.gz ANQVBKUVWVYTKW-IAGOWNOFSA-N 1 3 367.538 0.911 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCO1 ZINC000550324578 490660939 /nfs/dbraw/zinc/66/09/39/490660939.db2.gz WPODIKSGMPTWPG-HNNXBMFYSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCO1 ZINC000550324578 490660943 /nfs/dbraw/zinc/66/09/43/490660943.db2.gz WPODIKSGMPTWPG-HNNXBMFYSA-N 1 3 366.506 0.347 20 0 FCADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000572027071 491343951 /nfs/dbraw/zinc/34/39/51/491343951.db2.gz XCEHQFYMKZAOAF-UEXGIBASSA-N 1 3 370.497 0.884 20 0 FCADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)C2)C1 ZINC000572027071 491343954 /nfs/dbraw/zinc/34/39/54/491343954.db2.gz XCEHQFYMKZAOAF-UEXGIBASSA-N 1 3 370.497 0.884 20 0 FCADHO CN(C)C1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000572032347 491344314 /nfs/dbraw/zinc/34/43/14/491344314.db2.gz JZXHIGKOXVQFQU-KRWDZBQOSA-N 1 3 358.486 0.460 20 0 FCADHO CC[C@H]1C(=O)NCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572055766 491346005 /nfs/dbraw/zinc/34/60/05/491346005.db2.gz LXUZFPYWMRIOMY-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(CC)CC ZINC000565039962 491347562 /nfs/dbraw/zinc/34/75/62/491347562.db2.gz HHPDLBNNCHSSMN-ZACQAIPSSA-N 1 3 365.522 0.854 20 0 FCADHO NC(=O)NC(=O)CCNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000572114503 491348984 /nfs/dbraw/zinc/34/89/84/491348984.db2.gz YLQBUAZMWCGBQR-UHFFFAOYSA-N 1 3 361.446 0.059 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000502795966 490721790 /nfs/dbraw/zinc/72/17/90/490721790.db2.gz NAOMEEQSVVCDQL-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000502795966 490721794 /nfs/dbraw/zinc/72/17/94/490721794.db2.gz NAOMEEQSVVCDQL-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000502795966 490721797 /nfs/dbraw/zinc/72/17/97/490721797.db2.gz NAOMEEQSVVCDQL-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO COc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cccc1C(N)=O ZINC000527381614 490722448 /nfs/dbraw/zinc/72/24/48/490722448.db2.gz LOVITNHJPZFOCA-UHFFFAOYSA-N 1 3 351.451 0.751 20 0 FCADHO C[C@H](CNC(=O)COCC(=O)NC[C@@H](C)[NH+]1CCCC1)N1CCCC1 ZINC000538274096 490724090 /nfs/dbraw/zinc/72/40/90/490724090.db2.gz GPFAIQCLLDUSPM-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122226 491354425 /nfs/dbraw/zinc/35/44/25/491354425.db2.gz QHTCZRRSNWNZEH-XHSDSOJGSA-N 1 3 350.507 0.964 20 0 FCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000514855175 490793076 /nfs/dbraw/zinc/79/30/76/490793076.db2.gz OKKBNLDPMZYCTL-JKSUJKDBSA-N 1 3 350.438 0.489 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC(N3CCOC[C@H]3C)CC2)CC1 ZINC000565168092 491357604 /nfs/dbraw/zinc/35/76/04/491357604.db2.gz BJXKHXFMKHKROB-MRXNPFEDSA-N 1 3 352.523 0.772 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838364 490841925 /nfs/dbraw/zinc/84/19/25/490841925.db2.gz KGQUOHFKTOUCNG-HNNXBMFYSA-N 1 3 352.479 0.400 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCN1C(=O)CCC1=O ZINC000505838364 490841928 /nfs/dbraw/zinc/84/19/28/490841928.db2.gz KGQUOHFKTOUCNG-HNNXBMFYSA-N 1 3 352.479 0.400 20 0 FCADHO COCCCN1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000516966750 490887901 /nfs/dbraw/zinc/88/79/01/490887901.db2.gz CAEAVZOCIKBNAQ-OAHLLOKOSA-N 1 3 350.467 0.261 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243395 490895215 /nfs/dbraw/zinc/89/52/15/490895215.db2.gz XSUBYMOWFIUEMG-SJLPKXTDSA-N 1 3 352.523 0.630 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530241529 490895339 /nfs/dbraw/zinc/89/53/39/490895339.db2.gz QNZSUOZJPONMNJ-YJBOKZPZSA-N 1 3 366.506 0.156 20 0 FCADHO CCOCC[N@@H+]1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000517322151 490903842 /nfs/dbraw/zinc/90/38/42/490903842.db2.gz OTYJLKFPZMIYRJ-OKYOBFRVSA-N 1 3 357.539 0.889 20 0 FCADHO CCOCC[N@H+]1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000517322151 490903844 /nfs/dbraw/zinc/90/38/44/490903844.db2.gz OTYJLKFPZMIYRJ-OKYOBFRVSA-N 1 3 357.539 0.889 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000517562160 490911932 /nfs/dbraw/zinc/91/19/32/490911932.db2.gz MRLITXDKRLAZCT-SFHVURJKSA-N 1 3 358.486 0.979 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C[C@@H]1[NH3+] ZINC000517918514 490924381 /nfs/dbraw/zinc/92/43/81/490924381.db2.gz VBJDCIXAHGSBFE-WBVHZDCISA-N 1 3 350.507 0.907 20 0 FCADHO [NH3+][C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)Cc1ccccc1 ZINC000517931075 490924749 /nfs/dbraw/zinc/92/47/49/490924749.db2.gz WAZBSBFDBWJSST-SFHVURJKSA-N 1 3 358.486 0.713 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCc1nccs1 ZINC000518716490 490948903 /nfs/dbraw/zinc/94/89/03/490948903.db2.gz HBCSLVSXWGZMOK-UHFFFAOYSA-N 1 3 355.508 0.096 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000531357731 490953359 /nfs/dbraw/zinc/95/33/59/490953359.db2.gz BBPIAMCLZIBIIY-UHFFFAOYSA-N 1 3 367.494 0.193 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CN1C1CC1 ZINC000531484057 490960416 /nfs/dbraw/zinc/96/04/16/490960416.db2.gz ZCUHRDGRAOWGIN-GDBMZVCRSA-N 1 3 365.522 0.854 20 0 FCADHO COCCOC1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000544243703 490962756 /nfs/dbraw/zinc/96/27/56/490962756.db2.gz SCRCBDSNJBZYIO-UHFFFAOYSA-N 1 3 354.495 0.602 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C(=O)NCC[C@@H]3C)CC2)CC1 ZINC000519649375 490982032 /nfs/dbraw/zinc/98/20/32/490982032.db2.gz MMINNEWLGCLBAM-WMLDXEAASA-N 1 3 350.507 0.824 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000532056690 490984504 /nfs/dbraw/zinc/98/45/04/490984504.db2.gz QGFDTLZVHRVQTN-UHFFFAOYSA-N 1 3 355.527 0.912 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000553956622 491166343 /nfs/dbraw/zinc/16/63/43/491166343.db2.gz KLFQDZXNIRPZKB-CABCVRRESA-N 1 3 368.522 0.591 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000553956622 491166344 /nfs/dbraw/zinc/16/63/44/491166344.db2.gz KLFQDZXNIRPZKB-CABCVRRESA-N 1 3 368.522 0.591 20 0 FCADHO CC(C)OC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000562692416 491181900 /nfs/dbraw/zinc/18/19/00/491181900.db2.gz AHAIVPFBECWXHJ-UHFFFAOYSA-N 1 3 356.511 0.354 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000557381369 491371645 /nfs/dbraw/zinc/37/16/45/491371645.db2.gz OTSYMPBVYKBRNW-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO COc1ccc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000572621693 491382694 /nfs/dbraw/zinc/38/26/94/491382694.db2.gz LTADUGLAJWCXBO-HNNXBMFYSA-N 1 3 364.490 0.824 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N(C)C1CC1 ZINC000557561600 491382835 /nfs/dbraw/zinc/38/28/35/491382835.db2.gz OHMDCVSBUPEYAC-LSDHHAIUSA-N 1 3 366.506 0.202 20 0 FCADHO CCN1CCN(CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000557679289 491390811 /nfs/dbraw/zinc/39/08/11/491390811.db2.gz GIAOLTIUVXOAJK-KRWDZBQOSA-N 1 3 354.564 0.958 20 0 FCADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000565655673 491391427 /nfs/dbraw/zinc/39/14/27/491391427.db2.gz VYGORHQPBQUWTK-CVEARBPZSA-N 1 3 363.506 0.710 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc2)CC1 ZINC000565706095 491394113 /nfs/dbraw/zinc/39/41/13/491394113.db2.gz YPPMJJMBTNLMLA-UHFFFAOYSA-N 1 3 361.490 0.570 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000565847328 491403208 /nfs/dbraw/zinc/40/32/08/491403208.db2.gz GOJWJXJCDOXCNJ-KBAYOESNSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000565847328 491403211 /nfs/dbraw/zinc/40/32/11/491403211.db2.gz GOJWJXJCDOXCNJ-KBAYOESNSA-N 1 3 360.502 0.874 20 0 FCADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000573022995 491408088 /nfs/dbraw/zinc/40/80/88/491408088.db2.gz MOMSEZDDIMRNMM-MSOLQXFVSA-N 1 3 373.501 0.982 20 0 FCADHO CCOC(=O)c1ccc(N2CCCN(CCN3CC[NH2+]CC3)CC2)nc1 ZINC000566010338 491412293 /nfs/dbraw/zinc/41/22/93/491412293.db2.gz LOQINTTVMSLLML-UHFFFAOYSA-N 1 3 361.490 0.676 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000573202217 491418995 /nfs/dbraw/zinc/41/89/95/491418995.db2.gz QPDPZIXNKQRXOB-MSOLQXFVSA-N 1 3 358.486 0.932 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000558210477 491419970 /nfs/dbraw/zinc/41/99/70/491419970.db2.gz TUTVDLWOYNRMAL-YESZJQIVSA-N 1 3 368.522 0.545 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000573429826 491432686 /nfs/dbraw/zinc/43/26/86/491432686.db2.gz GQYRYCKYONOZSU-RHJCGQNESA-N 1 3 350.507 0.665 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000566511921 491450567 /nfs/dbraw/zinc/45/05/67/491450567.db2.gz DKZWAURCUGSQRY-IBGZPJMESA-N 1 3 370.497 0.798 20 0 FCADHO C[N@H+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000574107558 491474866 /nfs/dbraw/zinc/47/48/66/491474866.db2.gz IPLROLIJSKMEGC-OAHLLOKOSA-N 1 3 366.506 0.035 20 0 FCADHO C[N@@H+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000574107558 491474868 /nfs/dbraw/zinc/47/48/68/491474868.db2.gz IPLROLIJSKMEGC-OAHLLOKOSA-N 1 3 366.506 0.035 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000559462164 491475531 /nfs/dbraw/zinc/47/55/31/491475531.db2.gz LXYCBRRVBQOSIC-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567062555 491483685 /nfs/dbraw/zinc/48/36/85/491483685.db2.gz ANNWHVVVOIUAOY-MSOLQXFVSA-N 1 3 373.501 0.980 20 0 FCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567062555 491483687 /nfs/dbraw/zinc/48/36/87/491483687.db2.gz ANNWHVVVOIUAOY-MSOLQXFVSA-N 1 3 373.501 0.980 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000567194296 491491848 /nfs/dbraw/zinc/49/18/48/491491848.db2.gz RQKKACOBIYYQEQ-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)CCN1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000567345765 491500653 /nfs/dbraw/zinc/50/06/53/491500653.db2.gz SXLBNYLPKPLDHO-INIZCTEOSA-N 1 3 374.485 0.259 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)NCCOC)CC2)CC1 ZINC000567364289 491502160 /nfs/dbraw/zinc/50/21/60/491502160.db2.gz FLEUJHZQSBVRFJ-UHFFFAOYSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCSC1 ZINC000559868397 491506626 /nfs/dbraw/zinc/50/66/26/491506626.db2.gz QJRSTIJWRRUCQW-QGZVFWFLSA-N 1 3 356.536 0.483 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000560027503 491516807 /nfs/dbraw/zinc/51/68/07/491516807.db2.gz HLSVQNJPDSFNIF-IXDOHACOSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000560027503 491516810 /nfs/dbraw/zinc/51/68/10/491516810.db2.gz HLSVQNJPDSFNIF-IXDOHACOSA-N 1 3 350.507 0.966 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583403 493348514 /nfs/dbraw/zinc/34/85/14/493348514.db2.gz LDVDVPTZSDSFGR-IAGOWNOFSA-N 1 3 368.522 0.329 20 0 FCADHO CN(C)CCN(Cc1ccccn1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000567822298 491532092 /nfs/dbraw/zinc/53/20/92/491532092.db2.gz IPRQEJZOUBSEDV-UHFFFAOYSA-N 1 3 357.462 0.802 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596237 491546609 /nfs/dbraw/zinc/54/66/09/491546609.db2.gz LRTVFGLTRCEACS-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[C@@H]1O ZINC000560635830 491548198 /nfs/dbraw/zinc/54/81/98/491548198.db2.gz PWGSFZGUECHTJV-ROUUACIJSA-N 1 3 371.485 0.859 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000560733966 491554111 /nfs/dbraw/zinc/55/41/11/491554111.db2.gz AJURHSGYDWSLNE-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@](C)(O)C(=O)OC)CC2)CC1 ZINC000568209162 491559390 /nfs/dbraw/zinc/55/93/90/491559390.db2.gz PJLKHKHKZRTIGH-GOSISDBHSA-N 1 3 355.479 0.223 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000575902762 491569073 /nfs/dbraw/zinc/56/90/73/491569073.db2.gz XNFOGCLDJMDKDJ-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000568608989 491591609 /nfs/dbraw/zinc/59/16/09/491591609.db2.gz RAQMIIRAPUOWNW-GDBMZVCRSA-N 1 3 351.495 0.500 20 0 FCADHO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000584495346 491597790 /nfs/dbraw/zinc/59/77/90/491597790.db2.gz COJOTSFWHJJWNB-HZPDHXFCSA-N 1 3 370.538 0.647 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000577410634 491620690 /nfs/dbraw/zinc/62/06/90/491620690.db2.gz DDEOVJWVNASZQG-ROUUACIJSA-N 1 3 367.534 0.944 20 0 FCADHO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000568985141 491624361 /nfs/dbraw/zinc/62/43/61/491624361.db2.gz AUBYZFADSAAIQM-HNNXBMFYSA-N 1 3 368.503 0.054 20 0 FCADHO CC(C)n1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000569018024 491627733 /nfs/dbraw/zinc/62/77/33/491627733.db2.gz AXIGEKAHKQYUGQ-UHFFFAOYSA-N 1 3 352.483 0.032 20 0 FCADHO CCN(CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000569049136 491630024 /nfs/dbraw/zinc/63/00/24/491630024.db2.gz YDXYKDCLFMDDNT-SJORKVTESA-N 1 3 366.506 0.081 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)CCN2C1=O ZINC000569121096 491635687 /nfs/dbraw/zinc/63/56/87/491635687.db2.gz BWKDTRCMSQKNKL-SQNIBIBYSA-N 1 3 367.453 0.793 20 0 FCADHO CN(CCOCC[N@H+](C)[C@H]1CCC(=O)N(C)C1)[C@H]1CCC(=O)N(C)C1 ZINC000576886625 491654602 /nfs/dbraw/zinc/65/46/02/491654602.db2.gz ZLSHKHGDALONDQ-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO CN(CCOCC[N@@H+](C)[C@H]1CCC(=O)N(C)C1)[C@H]1CCC(=O)N(C)C1 ZINC000576886625 491654604 /nfs/dbraw/zinc/65/46/04/491654604.db2.gz ZLSHKHGDALONDQ-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000576901634 491655300 /nfs/dbraw/zinc/65/53/00/491655300.db2.gz ZUMMMIPVPIAUBG-INIZCTEOSA-N 1 3 356.511 0.404 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569472137 491664683 /nfs/dbraw/zinc/66/46/83/491664683.db2.gz GNSUTALWUFPLPN-MSOLQXFVSA-N 1 3 358.486 0.630 20 0 FCADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578134759 491670761 /nfs/dbraw/zinc/67/07/61/491670761.db2.gz CKKUPVABXDRIQB-WMZOPIPTSA-N 1 3 372.517 0.835 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000578156898 491670987 /nfs/dbraw/zinc/67/09/87/491670987.db2.gz GKWYQRRLEPBHKG-BZUAXINKSA-N 1 3 368.522 0.258 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000579226343 491693445 /nfs/dbraw/zinc/69/34/45/491693445.db2.gz FSBXPFHEPWVJDH-GOSISDBHSA-N 1 3 374.485 0.128 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000579260373 491694323 /nfs/dbraw/zinc/69/43/23/491694323.db2.gz RDUADCNEFIUJNT-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000579333770 491695504 /nfs/dbraw/zinc/69/55/04/491695504.db2.gz BSSHJXYMIUZTJG-UHFFFAOYSA-N 1 3 368.547 0.676 20 0 FCADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCNC1=O ZINC000579858185 491707158 /nfs/dbraw/zinc/70/71/58/491707158.db2.gz SVXRYJKBVDEHOT-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C[NH+]1CCCCC1 ZINC000580006181 491713346 /nfs/dbraw/zinc/71/33/46/491713346.db2.gz OOODIOQGGBMAOA-HOTGVXAUSA-N 1 3 350.507 0.991 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000584828825 491716135 /nfs/dbraw/zinc/71/61/35/491716135.db2.gz CZOZIQVEKMNUQJ-KBPBESRZSA-N 1 3 363.428 0.702 20 0 FCADHO CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]2C1 ZINC000580925981 491751858 /nfs/dbraw/zinc/75/18/58/491751858.db2.gz RIPHLDYCPWDBNG-KSZLIROESA-N 1 3 367.538 0.768 20 0 FCADHO COC[C@]1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[NH2+]C1 ZINC000580949339 491752870 /nfs/dbraw/zinc/75/28/70/491752870.db2.gz LTHUDENPDJDEOC-SFHVURJKSA-N 1 3 362.430 0.721 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(C)(C)N3CC[NH2+]CC3)C2)CC1 ZINC000581665988 491781990 /nfs/dbraw/zinc/78/19/90/491781990.db2.gz SIZSGTVAUPKYHW-QGZVFWFLSA-N 1 3 351.539 0.297 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581737622 491785070 /nfs/dbraw/zinc/78/50/70/491785070.db2.gz MQLQAMHJOBRKMG-MWDXBVQZSA-N 1 3 350.507 0.727 20 0 FCADHO CC(=O)c1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000581962290 491792456 /nfs/dbraw/zinc/79/24/56/491792456.db2.gz RZZARPDTRMPXAV-UHFFFAOYSA-N 1 3 366.437 0.919 20 0 FCADHO COc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C ZINC000583372555 491843567 /nfs/dbraw/zinc/84/35/67/491843567.db2.gz TXAOYUWDZRLEFL-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000583489034 491845948 /nfs/dbraw/zinc/84/59/48/491845948.db2.gz JCPHTIVXYZJUJK-SJORKVTESA-N 1 3 359.474 0.481 20 0 FCADHO C[C@@H](CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584068489 491858013 /nfs/dbraw/zinc/85/80/13/491858013.db2.gz MSELISXCIKGOAD-ZXGVYTLUSA-N 1 3 362.518 0.916 20 0 FCADHO C[C@H](CN[C@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584068489 491858014 /nfs/dbraw/zinc/85/80/14/491858014.db2.gz MSELISXCIKGOAD-ZXGVYTLUSA-N 1 3 362.518 0.916 20 0 FCADHO COc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c(OC)n1 ZINC000584325073 491862999 /nfs/dbraw/zinc/86/29/99/491862999.db2.gz AQSPCVOFBZZMJF-UHFFFAOYSA-N 1 3 353.467 0.734 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000584349043 491863632 /nfs/dbraw/zinc/86/36/32/491863632.db2.gz YYPLTPMSSWXXCL-YYAJDYIMSA-N 1 3 353.507 0.728 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CN1C1CC1 ZINC000611638349 491864658 /nfs/dbraw/zinc/86/46/58/491864658.db2.gz SKRCDUDSNNNULR-KMFMINBZSA-N 1 3 364.490 0.097 20 0 FCADHO CC[C@H](C(=O)N[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(F)(F)F)N(C)C ZINC000612464703 491921628 /nfs/dbraw/zinc/92/16/28/491921628.db2.gz MYXVMQCAOYVENM-IJLUTSLNSA-N 1 3 354.417 0.830 20 0 FCADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(F)(F)F)N(C)C ZINC000612464703 491921631 /nfs/dbraw/zinc/92/16/31/491921631.db2.gz MYXVMQCAOYVENM-IJLUTSLNSA-N 1 3 354.417 0.830 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612598762 491937980 /nfs/dbraw/zinc/93/79/80/491937980.db2.gz IYOOSHXBEFOMOT-IAGOWNOFSA-N 1 3 366.506 0.345 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916541 491958571 /nfs/dbraw/zinc/95/85/71/491958571.db2.gz AXSDZBHDACJDOJ-LSDHHAIUSA-N 1 3 363.510 0.692 20 0 FCADHO CCCN1CC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000598344089 492095559 /nfs/dbraw/zinc/09/55/59/492095559.db2.gz ZTFVCIWLHVPTKP-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO CCCN1CC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000598344089 492095560 /nfs/dbraw/zinc/09/55/60/492095560.db2.gz ZTFVCIWLHVPTKP-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N(C)C ZINC000606018989 492111444 /nfs/dbraw/zinc/11/14/44/492111444.db2.gz HUEXJWCIPDSWET-CYBMUJFWSA-N 1 3 363.462 0.582 20 0 FCADHO C[C@@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606685061 492126076 /nfs/dbraw/zinc/12/60/76/492126076.db2.gz XJBQYDVEGCKDME-OAHLLOKOSA-N 1 3 367.538 0.959 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000606705023 492127683 /nfs/dbraw/zinc/12/76/83/492127683.db2.gz QSIKATYQYZWJQA-KRWDZBQOSA-N 1 3 354.495 0.461 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCCCCC1=O ZINC000607227120 492141046 /nfs/dbraw/zinc/14/10/46/492141046.db2.gz BJBOEYJCVMSGDQ-UHFFFAOYSA-N 1 3 355.527 0.914 20 0 FCADHO C[C@H]1CC(=O)NCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000608660176 492184838 /nfs/dbraw/zinc/18/48/38/492184838.db2.gz BZAIOHSKUJPFBM-AWEZNQCLSA-N 1 3 351.495 0.465 20 0 FCADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000609487734 492209699 /nfs/dbraw/zinc/20/96/99/492209699.db2.gz DIAHHSXHSSVTER-IYBDPMFKSA-N 1 3 369.506 0.829 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627428671 492291685 /nfs/dbraw/zinc/29/16/85/492291685.db2.gz LKFCOTDINPSOGP-RWMBFGLXSA-N 1 3 364.412 0.573 20 0 FCADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647545173 492303269 /nfs/dbraw/zinc/30/32/69/492303269.db2.gz FPFUZQWUTSBZAJ-MSOLQXFVSA-N 1 3 363.506 0.893 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000642094872 492333740 /nfs/dbraw/zinc/33/37/40/492333740.db2.gz IJNBANWHPZVJLA-SQNIBIBYSA-N 1 3 360.502 0.861 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1=O ZINC000620931879 492346422 /nfs/dbraw/zinc/34/64/22/492346422.db2.gz SCNWEMBICFCPIM-KRWDZBQOSA-N 1 3 350.507 0.635 20 0 FCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634703080 492360757 /nfs/dbraw/zinc/36/07/57/492360757.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 1 3 374.529 0.800 20 0 FCADHO CN(C)C1CN(c2ncc(Br)c(N3CC([NH+](C)C)C3)n2)C1 ZINC000634799140 492369415 /nfs/dbraw/zinc/36/94/15/492369415.db2.gz XPULSIFSOZMXAC-UHFFFAOYSA-N 1 3 355.284 0.740 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642645420 492370297 /nfs/dbraw/zinc/37/02/97/492370297.db2.gz KBSYTBWUJUYBEE-XHSDSOJGSA-N 1 3 354.495 0.332 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000642685599 492372691 /nfs/dbraw/zinc/37/26/91/492372691.db2.gz PRMAJQAPSCHWLJ-INIZCTEOSA-N 1 3 362.474 0.441 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000642725992 492380674 /nfs/dbraw/zinc/38/06/74/492380674.db2.gz XPRVABHVBUUPKR-CRAIPNDOSA-N 1 3 370.497 0.412 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654945764 492382384 /nfs/dbraw/zinc/38/23/84/492382384.db2.gz DRDVNGVPEHBARI-HOTGVXAUSA-N 1 3 362.478 0.516 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642732947 492382939 /nfs/dbraw/zinc/38/29/39/492382939.db2.gz IZXGKDAQACFQNP-SFHVURJKSA-N 1 3 358.486 0.809 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975911 492388889 /nfs/dbraw/zinc/38/88/89/492388889.db2.gz HNFKQVNCVBWULR-RYQLBKOJSA-N 1 3 350.507 0.777 20 0 FCADHO CN(CCCNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977763 492390476 /nfs/dbraw/zinc/39/04/76/492390476.db2.gz HFUZVWHXIJKPAV-HZPDHXFCSA-N 1 3 374.551 0.096 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC000642789438 492392835 /nfs/dbraw/zinc/39/28/35/492392835.db2.gz GTFKXQORNHMPFD-HZPDHXFCSA-N 1 3 350.507 0.955 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000642993516 492412797 /nfs/dbraw/zinc/41/27/97/492412797.db2.gz DTBMWHSKXUWDBH-GOSISDBHSA-N 1 3 356.470 0.755 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621838588 492421121 /nfs/dbraw/zinc/42/11/21/492421121.db2.gz GGSYZFBOOLFZQD-SPCJURDBSA-N 1 3 350.507 0.809 20 0 FCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000621844884 492425091 /nfs/dbraw/zinc/42/50/91/492425091.db2.gz YTJKJMKYTVOFEA-NQIIRXRSSA-N 1 3 370.497 0.891 20 0 FCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC1(N3CCCC3)CCOCC1)C2 ZINC000621845157 492425100 /nfs/dbraw/zinc/42/51/00/492425100.db2.gz CPXWIWJSOBTNDD-BEFAXECRSA-N 1 3 364.490 0.087 20 0 FCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC1CCN(c3ccncc3)CC1)C2 ZINC000621845392 492425241 /nfs/dbraw/zinc/42/52/41/492425241.db2.gz IRHFUIDQHKSJIY-JXFKEZNVSA-N 1 3 371.485 0.754 20 0 FCADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000621844886 492425477 /nfs/dbraw/zinc/42/54/77/492425477.db2.gz YTJKJMKYTVOFEA-WIYYLYMNSA-N 1 3 370.497 0.891 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028216 492443177 /nfs/dbraw/zinc/44/31/77/492443177.db2.gz NYFZYBPBHYVCOI-KDOFPFPSSA-N 1 3 364.515 0.978 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000635526208 492464154 /nfs/dbraw/zinc/46/41/54/492464154.db2.gz IAHHZVLYPJPTPN-DLBZAZTESA-N 1 3 357.462 0.996 20 0 FCADHO C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000635526211 492464227 /nfs/dbraw/zinc/46/42/27/492464227.db2.gz IAHHZVLYPJPTPN-IRXDYDNUSA-N 1 3 357.462 0.996 20 0 FCADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C[C@H]21 ZINC000643478980 492475146 /nfs/dbraw/zinc/47/51/46/492475146.db2.gz YBBXFEWEMRNQEL-USXIJHARSA-N 1 3 357.458 0.316 20 0 FCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655714372 492478554 /nfs/dbraw/zinc/47/85/54/492478554.db2.gz BRPNZIJTYYBDAY-SJLPKXTDSA-N 1 3 352.523 0.807 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643502454 492483372 /nfs/dbraw/zinc/48/33/72/492483372.db2.gz GXCOAETUBQHTKE-SJORKVTESA-N 1 3 350.507 0.779 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643511162 492485708 /nfs/dbraw/zinc/48/57/08/492485708.db2.gz GGJIDQKZMATBKV-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000643531750 492491136 /nfs/dbraw/zinc/49/11/36/492491136.db2.gz FSFIBHXYSZALNS-QZTJIDSGSA-N 1 3 374.485 0.296 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532539 492492725 /nfs/dbraw/zinc/49/27/25/492492725.db2.gz TYPJCXCTJYDZCC-HCXYKTFWSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532539 492492728 /nfs/dbraw/zinc/49/27/28/492492728.db2.gz TYPJCXCTJYDZCC-HCXYKTFWSA-N 1 3 370.497 0.882 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000643592226 492502441 /nfs/dbraw/zinc/50/24/41/492502441.db2.gz JELSTSIQBAEBAM-SFHVURJKSA-N 1 3 358.486 0.930 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656299091 492577178 /nfs/dbraw/zinc/57/71/78/492577178.db2.gz XAHNSNQWMGDNES-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656299091 492577182 /nfs/dbraw/zinc/57/71/82/492577182.db2.gz XAHNSNQWMGDNES-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO COCCN1CC[C@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636813987 492701738 /nfs/dbraw/zinc/70/17/38/492701738.db2.gz DKSKLFHROIZGAP-AWEZNQCLSA-N 1 3 350.467 0.992 20 0 FCADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000638123469 492911318 /nfs/dbraw/zinc/91/13/18/492911318.db2.gz RCTXMDZJGPGKAV-SJORKVTESA-N 1 3 351.422 0.901 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638134719 492913798 /nfs/dbraw/zinc/91/37/98/492913798.db2.gz OFJFHCKZBFJVLI-USWWRNFRSA-N 1 3 354.405 0.963 20 0 FCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000638141424 492917367 /nfs/dbraw/zinc/91/73/67/492917367.db2.gz UHTMOJIPFZJGTQ-IEBWSBKVSA-N 1 3 361.490 0.477 20 0 FCADHO CN1CCN(CCCS(=O)(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000632169858 492942954 /nfs/dbraw/zinc/94/29/54/492942954.db2.gz IFSPSKNCIGOYSM-UHFFFAOYSA-N 1 3 358.552 0.514 20 0 FCADHO CN1CCN(CC2(C)CCN(S(=O)(=O)CCC[NH+](C)C)CC2)CC1 ZINC000632206843 492950316 /nfs/dbraw/zinc/95/03/16/492950316.db2.gz TXZFPPDPDXJVJX-UHFFFAOYSA-N 1 3 360.568 0.617 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638727689 492972944 /nfs/dbraw/zinc/97/29/44/492972944.db2.gz IUEJGLSMUJQGHW-MRXNPFEDSA-N 1 3 366.506 0.348 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652668487 492983217 /nfs/dbraw/zinc/98/32/17/492983217.db2.gz BNCOEJHQNPEDEW-HNNXBMFYSA-N 1 3 354.495 0.109 20 0 FCADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673709 492985175 /nfs/dbraw/zinc/98/51/75/492985175.db2.gz YSQOENVWSLGNBR-DMRKSPOLSA-N 1 3 368.522 0.291 20 0 FCADHO CC[N@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C1CCCCC1 ZINC000652708049 492996717 /nfs/dbraw/zinc/99/67/17/492996717.db2.gz LMPLWPIIMCOHMW-KRWDZBQOSA-N 1 3 367.538 0.249 20 0 FCADHO CC[N@@H+](CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C1CCCCC1 ZINC000652708049 492996722 /nfs/dbraw/zinc/99/67/22/492996722.db2.gz LMPLWPIIMCOHMW-KRWDZBQOSA-N 1 3 367.538 0.249 20 0 FCADHO CC1CCC(N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000646007248 492999758 /nfs/dbraw/zinc/99/97/58/492999758.db2.gz OWNUOPZUGAQBRC-OFLPRAFFSA-N 1 3 350.507 0.968 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652728366 493006424 /nfs/dbraw/zinc/00/64/24/493006424.db2.gz HOZLTBXFKOGGLL-BBWFWOEESA-N 1 3 366.506 0.286 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730695 493008300 /nfs/dbraw/zinc/00/83/00/493008300.db2.gz MDTWQIJOFXONER-BBWFWOEESA-N 1 3 368.522 0.530 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000646105719 493013145 /nfs/dbraw/zinc/01/31/45/493013145.db2.gz FCSSWIXLYXLXBM-QZTJIDSGSA-N 1 3 358.486 0.978 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000652737362 493013339 /nfs/dbraw/zinc/01/33/39/493013339.db2.gz HRWPHRDJNDGNJN-SJORKVTESA-N 1 3 366.506 0.286 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2nnnn2C)cc1 ZINC000626765660 493015705 /nfs/dbraw/zinc/01/57/05/493015705.db2.gz VCZVGLRKGHGTOO-UHFFFAOYSA-N 1 3 360.466 0.834 20 0 FCADHO CCN(CCN)C(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000626853082 493037722 /nfs/dbraw/zinc/03/77/22/493037722.db2.gz KUIFAWNFPMFRRO-UHFFFAOYSA-N 1 3 363.462 0.631 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000653181307 493081908 /nfs/dbraw/zinc/08/19/08/493081908.db2.gz DOPIYMAKHFFEGS-FZKCQIBNSA-N 1 3 352.479 0.071 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1=O ZINC000653261428 493087203 /nfs/dbraw/zinc/08/72/03/493087203.db2.gz RJZJRDMXIQOSJG-QBPKDAKJSA-N 1 3 366.506 0.284 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCCN(C)C ZINC000633031272 493106780 /nfs/dbraw/zinc/10/67/80/493106780.db2.gz TVNVFYWTEKYWBL-IYBDPMFKSA-N 1 3 360.458 0.837 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259097 493120177 /nfs/dbraw/zinc/12/01/77/493120177.db2.gz MZCGTTNWSHNCGR-IAGOWNOFSA-N 1 3 351.491 0.689 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259097 493120181 /nfs/dbraw/zinc/12/01/81/493120181.db2.gz MZCGTTNWSHNCGR-IAGOWNOFSA-N 1 3 351.491 0.689 20 0 FCADHO O[C@]1(Cn2cc(CCN3CC[NH2+]CC3)nn2)CCN(Cc2ccccc2)C1 ZINC000641228650 493185291 /nfs/dbraw/zinc/18/52/91/493185291.db2.gz BXOBCLBEQXAHPE-HXUWFJFHSA-N 1 3 370.501 0.363 20 0 FCADHO O[C@@]1(Cn2cc(CN3CC[NH2+]CC3)nn2)CCN(Cc2ccccc2)C1 ZINC000641229106 493186205 /nfs/dbraw/zinc/18/62/05/493186205.db2.gz GKMXWIGBQUHIME-IBGZPJMESA-N 1 3 356.474 0.320 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cn(CC[NH3+])nn1 ZINC000659318260 493190800 /nfs/dbraw/zinc/19/08/00/493190800.db2.gz CGAANJLZIUAPFT-UHFFFAOYSA-N 1 3 352.389 0.719 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000659558354 493212949 /nfs/dbraw/zinc/21/29/49/493212949.db2.gz DXQMPTQXZAIMAM-UHFFFAOYSA-N 1 3 353.442 0.446 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590870 493217574 /nfs/dbraw/zinc/21/75/74/493217574.db2.gz QNYUFWWHWTXGAE-JFIYKMOQSA-N 1 3 350.438 0.637 20 0 FCADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000659616521 493221111 /nfs/dbraw/zinc/22/11/11/493221111.db2.gz LPSSJVMEOHLVCP-SFANZJOMSA-N 1 3 358.486 0.921 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631164 493225481 /nfs/dbraw/zinc/22/54/81/493225481.db2.gz ANRYZIHGZHYSNR-CQSZACIVSA-N 1 3 366.466 0.283 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C1=CCN(C)CC1 ZINC000659700917 493261354 /nfs/dbraw/zinc/26/13/54/493261354.db2.gz ASKKLNDZJVNRRB-MAUKXSAKSA-N 1 3 362.518 0.991 20 0 FCADHO CN(CCNC(=O)c1cccc(C(=O)NCC[N@H+](C)C2CC2)c1N)C1CC1 ZINC000667158717 493263417 /nfs/dbraw/zinc/26/34/17/493263417.db2.gz HCWQRTKXAMRCBQ-UHFFFAOYSA-N 1 3 373.501 0.917 20 0 FCADHO CN(CCNC(=O)c1cccc(C(=O)NCC[N@@H+](C)C2CC2)c1N)C1CC1 ZINC000667158717 493263420 /nfs/dbraw/zinc/26/34/20/493263420.db2.gz HCWQRTKXAMRCBQ-UHFFFAOYSA-N 1 3 373.501 0.917 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659712384 493267677 /nfs/dbraw/zinc/26/76/77/493267677.db2.gz JANVMNHPWVXOMI-KRWDZBQOSA-N 1 3 359.474 0.278 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659726911 493274375 /nfs/dbraw/zinc/27/43/75/493274375.db2.gz CQSLHGKBZGHEMV-CRAIPNDOSA-N 1 3 373.501 0.606 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659728504 493275111 /nfs/dbraw/zinc/27/51/11/493275111.db2.gz JSVHEIFWGUNURH-MAUKXSAKSA-N 1 3 373.501 0.606 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000659738845 493279811 /nfs/dbraw/zinc/27/98/11/493279811.db2.gz IYHGEMYFOPXJLM-YESZJQIVSA-N 1 3 366.506 0.332 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667795952 493302322 /nfs/dbraw/zinc/30/23/22/493302322.db2.gz WLZNNQDYEUADAK-UHFFFAOYSA-N 1 3 374.489 0.745 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660055083 493320108 /nfs/dbraw/zinc/32/01/08/493320108.db2.gz CEAPBTJQLGOZRM-IXDOHACOSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673427941 493327479 /nfs/dbraw/zinc/32/74/79/493327479.db2.gz SMRWLVDZNGHARL-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673427941 493327481 /nfs/dbraw/zinc/32/74/81/493327481.db2.gz SMRWLVDZNGHARL-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)n2)CC1 ZINC000683866228 493375059 /nfs/dbraw/zinc/37/50/59/493375059.db2.gz WQRCWTBVBRAQBT-INIZCTEOSA-N 1 3 374.489 0.785 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668731352 493402819 /nfs/dbraw/zinc/40/28/19/493402819.db2.gz AJTHJESRNUCLMG-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668731352 493402820 /nfs/dbraw/zinc/40/28/20/493402820.db2.gz AJTHJESRNUCLMG-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143835 493467920 /nfs/dbraw/zinc/46/79/20/493467920.db2.gz FGHIDPDWJOZGBX-GOEBONIOSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000669462502 493505079 /nfs/dbraw/zinc/50/50/79/493505079.db2.gz QHJWDHQJUSYQLV-YJBOKZPZSA-N 1 3 364.490 0.927 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC[NH+](C)CC1 ZINC000675994313 493517041 /nfs/dbraw/zinc/51/70/41/493517041.db2.gz ABNRCCWGNBFPEB-NVXWUHKLSA-N 1 3 365.522 0.665 20 0 FCADHO COCCNC(=O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000669687570 493521521 /nfs/dbraw/zinc/52/15/21/493521521.db2.gz OZWHTLLYYVSQMR-UHFFFAOYSA-N 1 3 354.539 0.877 20 0 FCADHO COCCN1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662691706 493532121 /nfs/dbraw/zinc/53/21/21/493532121.db2.gz ICBNKNUFGZZFSO-HNNXBMFYSA-N 1 3 350.467 0.433 20 0 FCADHO CN(CCN1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721062 493534729 /nfs/dbraw/zinc/53/47/29/493534729.db2.gz PUAZULUPNFUFMI-MOPGFXCFSA-N 1 3 360.502 0.626 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000662755543 493539055 /nfs/dbraw/zinc/53/90/55/493539055.db2.gz CYWZHUSVPFWKAC-QYZOEREBSA-N 1 3 360.502 0.845 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676307201 493544580 /nfs/dbraw/zinc/54/45/80/493544580.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 1 3 369.554 0.763 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676307201 493544583 /nfs/dbraw/zinc/54/45/83/493544583.db2.gz OEDDUGUCHSCNSR-KURKYZTESA-N 1 3 369.554 0.763 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1=O ZINC000662845248 493546342 /nfs/dbraw/zinc/54/63/42/493546342.db2.gz GSIQAPOGMQKVTM-IAGOWNOFSA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607666 493580762 /nfs/dbraw/zinc/58/07/62/493580762.db2.gz BVYZFHSCMATYAZ-OALUTQOASA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607666 493580763 /nfs/dbraw/zinc/58/07/63/493580763.db2.gz BVYZFHSCMATYAZ-OALUTQOASA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607667 493580895 /nfs/dbraw/zinc/58/08/95/493580895.db2.gz BVYZFHSCMATYAZ-RBUKOAKNSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000670607667 493580896 /nfs/dbraw/zinc/58/08/96/493580896.db2.gz BVYZFHSCMATYAZ-RBUKOAKNSA-N 1 3 372.513 0.876 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000670984502 493619652 /nfs/dbraw/zinc/61/96/52/493619652.db2.gz MYDYFULBNYEHSG-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670997463 493622114 /nfs/dbraw/zinc/62/21/14/493622114.db2.gz NBDTWAVOKAJBGT-MRXNPFEDSA-N 1 3 359.474 0.721 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000671071957 493629902 /nfs/dbraw/zinc/62/99/02/493629902.db2.gz VTOHBPBNLSRGQT-GOSISDBHSA-N 1 3 368.547 0.627 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671104247 493634158 /nfs/dbraw/zinc/63/41/58/493634158.db2.gz SSZVMCOKIMJPPA-JKSUJKDBSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671104247 493634160 /nfs/dbraw/zinc/63/41/60/493634160.db2.gz SSZVMCOKIMJPPA-JKSUJKDBSA-N 1 3 366.506 0.299 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104278 493635014 /nfs/dbraw/zinc/63/50/14/493635014.db2.gz NABNNMGGTYPSLD-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104278 493635015 /nfs/dbraw/zinc/63/50/15/493635015.db2.gz NABNNMGGTYPSLD-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181864 493647632 /nfs/dbraw/zinc/64/76/32/493647632.db2.gz SZWDSPWNPAWVEP-IRXDYDNUSA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181864 493647633 /nfs/dbraw/zinc/64/76/33/493647633.db2.gz SZWDSPWNPAWVEP-IRXDYDNUSA-N 1 3 357.458 0.473 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C[C@@H]1O ZINC000664475730 493662417 /nfs/dbraw/zinc/66/24/17/493662417.db2.gz TZFAKYIPXVYQFC-NXOAAHMSSA-N 1 3 354.495 0.071 20 0 FCADHO COCCc1ccc(OC[C@H](O)CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000665232844 493705849 /nfs/dbraw/zinc/70/58/49/493705849.db2.gz VZHQAIBCXYFTJK-RGIVZKHGSA-N 1 3 352.475 0.957 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000671849795 493708582 /nfs/dbraw/zinc/70/85/82/493708582.db2.gz CYXFVVWMPRAZNU-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014205 493724997 /nfs/dbraw/zinc/72/49/97/493724997.db2.gz KTXHOJLKTPHEBV-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CN(C)CCO1 ZINC000681216637 493750864 /nfs/dbraw/zinc/75/08/64/493750864.db2.gz IFQNZCVTBIXCDD-JQHSSLGASA-N 1 3 367.538 0.515 20 0 FCADHO CN(C(=O)NC[C@@H]1CN(C)CCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681215627 493751513 /nfs/dbraw/zinc/75/15/13/493751513.db2.gz KAAGXVFPARMJFY-ZWKOTPCHSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@@H]1CN(C)CCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681215627 493751514 /nfs/dbraw/zinc/75/15/14/493751514.db2.gz KAAGXVFPARMJFY-ZWKOTPCHSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@@H]1CN(C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681215627 493751515 /nfs/dbraw/zinc/75/15/15/493751515.db2.gz KAAGXVFPARMJFY-ZWKOTPCHSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@@H]1CN(C)CCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681215622 493751565 /nfs/dbraw/zinc/75/15/65/493751565.db2.gz KAAGXVFPARMJFY-QZTJIDSGSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@@H]1CN(C)CCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681215622 493751566 /nfs/dbraw/zinc/75/15/66/493751566.db2.gz KAAGXVFPARMJFY-QZTJIDSGSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@@H]1CN(C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681215622 493751568 /nfs/dbraw/zinc/75/15/68/493751568.db2.gz KAAGXVFPARMJFY-QZTJIDSGSA-N 1 3 366.554 0.042 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310090 493754349 /nfs/dbraw/zinc/75/43/49/493754349.db2.gz GKBJMKITNJELDD-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310090 493754350 /nfs/dbraw/zinc/75/43/50/493754350.db2.gz GKBJMKITNJELDD-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310252 493754361 /nfs/dbraw/zinc/75/43/61/493754361.db2.gz LTKOOWFGVOWBKI-RDJZCZTQSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCn1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000666183563 493760996 /nfs/dbraw/zinc/76/09/96/493760996.db2.gz KLYZAGGKOGLXQT-HNNXBMFYSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1ccc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000666183563 493760997 /nfs/dbraw/zinc/76/09/97/493760997.db2.gz KLYZAGGKOGLXQT-HNNXBMFYSA-N 1 3 350.467 0.508 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000410494963 527824459 /nfs/dbraw/zinc/82/44/59/527824459.db2.gz UBDDVXZZYHRWTJ-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000410494963 527824463 /nfs/dbraw/zinc/82/44/63/527824463.db2.gz UBDDVXZZYHRWTJ-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410731985 527842587 /nfs/dbraw/zinc/84/25/87/527842587.db2.gz RBESLOJWDAVOJP-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410731985 527842590 /nfs/dbraw/zinc/84/25/90/527842590.db2.gz RBESLOJWDAVOJP-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO COCCCN(CCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000446513602 536517346 /nfs/dbraw/zinc/51/73/46/536517346.db2.gz GDWULQZEKZWPRN-UHFFFAOYSA-N 1 3 356.511 0.585 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413265085 528343419 /nfs/dbraw/zinc/34/34/19/528343419.db2.gz KPMQITMYFDTXNW-UHFFFAOYSA-N 1 3 369.554 0.814 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413265085 528343424 /nfs/dbraw/zinc/34/34/24/528343424.db2.gz KPMQITMYFDTXNW-UHFFFAOYSA-N 1 3 369.554 0.814 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CCCOCC2)CC1 ZINC000187213618 529147772 /nfs/dbraw/zinc/14/77/72/529147772.db2.gz SAGKLKAPTUJANK-QGZVFWFLSA-N 1 3 355.527 0.282 20 0 FCADHO CC1(C)NC(=O)N(CCCN2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000436066443 534978539 /nfs/dbraw/zinc/97/85/39/534978539.db2.gz QWJAIHDRTRTBOO-CYBMUJFWSA-N 1 3 353.467 0.026 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419195137 535068581 /nfs/dbraw/zinc/06/85/81/535068581.db2.gz UPVCWOZUHASTOI-GOSISDBHSA-N 1 3 360.502 0.909 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1CN)CC(C)C ZINC000419128217 535668951 /nfs/dbraw/zinc/66/89/51/535668951.db2.gz VOLOYEVIKIAXGO-ULQDDVLXSA-N 1 3 370.538 0.824 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CC1 ZINC000415439103 535750193 /nfs/dbraw/zinc/75/01/93/535750193.db2.gz CJPOZBRALQVNTQ-KRWDZBQOSA-N 1 3 359.474 0.621 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419844823 535864065 /nfs/dbraw/zinc/86/40/65/535864065.db2.gz OUHNFEOGOVEVCC-INIZCTEOSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000419660042 535901973 /nfs/dbraw/zinc/90/19/73/535901973.db2.gz KJRKZKDSAWGSJU-INIZCTEOSA-N 1 3 362.474 0.235 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000419215292 535903298 /nfs/dbraw/zinc/90/32/98/535903298.db2.gz NZLLVPHNXQFDGM-FQEVSTJZSA-N 1 3 374.485 0.455 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415325516 535907722 /nfs/dbraw/zinc/90/77/22/535907722.db2.gz JBMGDDACWUHTNF-GFCCVEGCSA-N 1 3 354.838 0.697 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419152549 536368003 /nfs/dbraw/zinc/36/80/03/536368003.db2.gz ONSOEZFPFCUGDD-LSDHHAIUSA-N 1 3 364.515 0.897 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000419152548 536368351 /nfs/dbraw/zinc/36/83/51/536368351.db2.gz ONSOEZFPFCUGDD-HUUCEWRRSA-N 1 3 364.515 0.897 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163116 536417020 /nfs/dbraw/zinc/41/70/20/536417020.db2.gz JCXHCLHCRXJLFC-ROUUACIJSA-N 1 3 374.485 0.214 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000419757786 536481127 /nfs/dbraw/zinc/48/11/27/536481127.db2.gz DCZVMSZNVOINJK-MSOLQXFVSA-N 1 3 358.486 0.867 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C1CC1 ZINC000419761935 536481376 /nfs/dbraw/zinc/48/13/76/536481376.db2.gz LHCSDIJOCUJHGE-SFHVURJKSA-N 1 3 358.486 0.963 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419452401 536496375 /nfs/dbraw/zinc/49/63/75/536496375.db2.gz PGAWESRLGNXJRQ-INIZCTEOSA-N 1 3 354.495 0.062 20 0 FCADHO COC[C@]1(CNC(=O)NCC(C)(C)N2CCC(OC)CC2)CCC[NH2+]1 ZINC000417548369 536682010 /nfs/dbraw/zinc/68/20/10/536682010.db2.gz QMURZMBBTKYJHM-GOSISDBHSA-N 1 3 356.511 0.944 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419753567 536747416 /nfs/dbraw/zinc/74/74/16/536747416.db2.gz NXZLIPQDOMWUSZ-AWEZNQCLSA-N 1 3 356.511 0.482 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574186 547041554 /nfs/dbraw/zinc/04/15/54/547041554.db2.gz LDKBMPWQRSTOEI-KSSFIOAISA-N 1 3 355.479 0.223 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574186 547041557 /nfs/dbraw/zinc/04/15/57/547041557.db2.gz LDKBMPWQRSTOEI-KSSFIOAISA-N 1 3 355.479 0.223 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000551217935 547135286 /nfs/dbraw/zinc/13/52/86/547135286.db2.gz YOTFEURCWNORAO-QGZVFWFLSA-N 1 3 354.520 0.283 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280335 547139004 /nfs/dbraw/zinc/13/90/04/547139004.db2.gz NUVMHUMKSJCSFL-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280335 547139009 /nfs/dbraw/zinc/13/90/09/547139009.db2.gz NUVMHUMKSJCSFL-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000553093269 547253548 /nfs/dbraw/zinc/25/35/48/547253548.db2.gz AUCHGTOMZRAZNN-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000553093269 547253551 /nfs/dbraw/zinc/25/35/51/547253551.db2.gz AUCHGTOMZRAZNN-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO CCNc1nc(NC2CC[NH+](CCOC)CC2)nc(NC(C)(C)C)n1 ZINC000553332016 547269867 /nfs/dbraw/zinc/26/98/67/547269867.db2.gz HUHLUPWTEFRIBU-UHFFFAOYSA-N 1 3 351.499 0.880 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N(C)C1CC1 ZINC000553367730 547273836 /nfs/dbraw/zinc/27/38/36/547273836.db2.gz YQZVVPKWJPFWKI-LSDHHAIUSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N(C)C1CC1 ZINC000553367730 547273842 /nfs/dbraw/zinc/27/38/42/547273842.db2.gz YQZVVPKWJPFWKI-LSDHHAIUSA-N 1 3 354.495 0.202 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882868 598530319 /nfs/dbraw/zinc/53/03/19/598530319.db2.gz USAOZUIWUSNSAN-KBPBESRZSA-N 1 3 359.482 0.815 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882868 598530321 /nfs/dbraw/zinc/53/03/21/598530321.db2.gz USAOZUIWUSNSAN-KBPBESRZSA-N 1 3 359.482 0.815 20 0 FCADHO C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736758277 598533016 /nfs/dbraw/zinc/53/30/16/598533016.db2.gz DUIOSYUZTGNQAB-INIZCTEOSA-N 1 3 360.462 0.880 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000951153966 674450493 /nfs/dbraw/zinc/45/04/93/674450493.db2.gz QYFWBEVAYKHIEL-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000951153966 674450495 /nfs/dbraw/zinc/45/04/95/674450495.db2.gz QYFWBEVAYKHIEL-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000955342543 674511289 /nfs/dbraw/zinc/51/12/89/674511289.db2.gz YUIQVCBTKLAYJY-HYVNUMGLSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000955342543 674511290 /nfs/dbraw/zinc/51/12/90/674511290.db2.gz YUIQVCBTKLAYJY-HYVNUMGLSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000957013856 674533588 /nfs/dbraw/zinc/53/35/88/674533588.db2.gz KVZZDDAUFLLVTH-IDHHARJASA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000957013856 674533589 /nfs/dbraw/zinc/53/35/89/674533589.db2.gz KVZZDDAUFLLVTH-IDHHARJASA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)N(C)C ZINC001022020058 663388309 /nfs/dbraw/zinc/38/83/09/663388309.db2.gz DIBQZUVVIOIAMF-GVDBMIGSSA-N 1 3 350.507 0.728 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000892082302 663474382 /nfs/dbraw/zinc/47/43/82/663474382.db2.gz IUFJLZADLUNVLG-HNNXBMFYSA-N 1 3 351.495 0.644 20 0 FCADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC1CCS(=O)CC1 ZINC000893231259 664217716 /nfs/dbraw/zinc/21/77/16/664217716.db2.gz FUDRDNVFBMDCBS-COYMHYPVSA-N 1 3 351.516 0.776 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1)N(C)C ZINC000975033324 664301950 /nfs/dbraw/zinc/30/19/50/664301950.db2.gz CUOOCADGJKTCAV-YYIAUSFCSA-N 1 3 352.523 0.972 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894163738 664901993 /nfs/dbraw/zinc/90/19/93/664901993.db2.gz GQGNDYMXDOYLGB-IRXDYDNUSA-N 1 3 356.511 0.585 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000982779688 664911922 /nfs/dbraw/zinc/91/19/22/664911922.db2.gz UWBZMTQSRHPYIQ-YESZJQIVSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000982779688 664911923 /nfs/dbraw/zinc/91/19/23/664911923.db2.gz UWBZMTQSRHPYIQ-YESZJQIVSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000988084570 665274542 /nfs/dbraw/zinc/27/45/42/665274542.db2.gz FEFWJZWGCQZQOV-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000988084570 665274543 /nfs/dbraw/zinc/27/45/43/665274543.db2.gz FEFWJZWGCQZQOV-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000911336793 666338248 /nfs/dbraw/zinc/33/82/48/666338248.db2.gz NNNWICWKFRSMIH-CVEARBPZSA-N 1 3 352.479 0.004 20 0 FCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504546 666361785 /nfs/dbraw/zinc/36/17/85/666361785.db2.gz KWJGLYOGKDHIBZ-UHFFFAOYSA-N 1 3 352.866 0.838 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000938549587 666469450 /nfs/dbraw/zinc/46/94/50/666469450.db2.gz UEZHTNGWECUYMC-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000938549587 666469453 /nfs/dbraw/zinc/46/94/53/666469453.db2.gz UEZHTNGWECUYMC-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939886821 666531211 /nfs/dbraw/zinc/53/12/11/666531211.db2.gz BMQQIISIQKEGOT-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992316163 666633315 /nfs/dbraw/zinc/63/33/15/666633315.db2.gz AKYKZIVHTATZAZ-OIISXLGYSA-N 1 3 350.507 0.917 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992316163 666633319 /nfs/dbraw/zinc/63/33/19/666633319.db2.gz AKYKZIVHTATZAZ-OIISXLGYSA-N 1 3 350.507 0.917 20 0 FCADHO COc1ncc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)s1 ZINC000914391134 666751576 /nfs/dbraw/zinc/75/15/76/666751576.db2.gz RJXISWYNSCCSMX-UHFFFAOYSA-N 1 3 362.521 0.798 20 0 FCADHO COc1ncc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)s1 ZINC000914391134 666751579 /nfs/dbraw/zinc/75/15/79/666751579.db2.gz RJXISWYNSCCSMX-UHFFFAOYSA-N 1 3 362.521 0.798 20 0 FCADHO COC[C@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500338 666873307 /nfs/dbraw/zinc/87/33/07/666873307.db2.gz KFTUTVBQLKYJSX-KRWDZBQOSA-N 1 3 354.495 0.602 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000734274698 666958574 /nfs/dbraw/zinc/95/85/74/666958574.db2.gz LIYDVCQENMZMIR-RDJZCZTQSA-N 1 3 354.495 0.602 20 0 FCADHO COCCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985429 667258740 /nfs/dbraw/zinc/25/87/40/667258740.db2.gz CCELKIWSWYYTPI-VNQPRFMTSA-N 1 3 350.467 0.128 20 0 FCADHO COCCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985429 667258742 /nfs/dbraw/zinc/25/87/42/667258742.db2.gz CCELKIWSWYYTPI-VNQPRFMTSA-N 1 3 350.467 0.128 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002460329 667543191 /nfs/dbraw/zinc/54/31/91/667543191.db2.gz DCKYIQBTELMMRL-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002460329 667543193 /nfs/dbraw/zinc/54/31/93/667543193.db2.gz DCKYIQBTELMMRL-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC001002530182 667546514 /nfs/dbraw/zinc/54/65/14/667546514.db2.gz UPQIOSMWVYIIIH-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC001002530182 667546516 /nfs/dbraw/zinc/54/65/16/667546516.db2.gz UPQIOSMWVYIIIH-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CSC1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH+](C)CC1 ZINC000811876804 669777144 /nfs/dbraw/zinc/77/71/44/669777144.db2.gz ZZVZHYXGRGVGRM-CABCVRRESA-N 1 3 356.536 0.976 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)N1CCCCC1 ZINC000842015800 670625919 /nfs/dbraw/zinc/62/59/19/670625919.db2.gz NMTGHWYJXHRGPT-OAHLLOKOSA-N 1 3 354.495 0.333 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000968019148 675178593 /nfs/dbraw/zinc/17/85/93/675178593.db2.gz RYOAOJIKRMAUFY-BBWFWOEESA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000968019148 675178597 /nfs/dbraw/zinc/17/85/97/675178597.db2.gz RYOAOJIKRMAUFY-BBWFWOEESA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000849051250 671316190 /nfs/dbraw/zinc/31/61/90/671316190.db2.gz CSLIROYUTHFPTP-CHWSQXEVSA-N 1 3 351.417 0.848 20 0 FCADHO C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000849111026 671318412 /nfs/dbraw/zinc/31/84/12/671318412.db2.gz FZMAROIQIZSKFF-AWEZNQCLSA-N 1 3 356.515 0.509 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852063886 671484909 /nfs/dbraw/zinc/48/49/09/671484909.db2.gz SZBWARRHIFKCGG-YESZJQIVSA-N 1 3 352.479 0.402 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248663 673107096 /nfs/dbraw/zinc/10/70/96/673107096.db2.gz WQKQEQIJXFZACS-HOTGVXAUSA-N 1 3 350.507 0.907 20 0 FCADHO C[N@H+](CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000883399273 673373504 /nfs/dbraw/zinc/37/35/04/673373504.db2.gz IRTXICJPQQXXSU-UHFFFAOYSA-N 1 3 351.495 0.596 20 0 FCADHO C[N@@H+](CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000883399273 673373509 /nfs/dbraw/zinc/37/35/09/673373509.db2.gz IRTXICJPQQXXSU-UHFFFAOYSA-N 1 3 351.495 0.596 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612500 673465943 /nfs/dbraw/zinc/46/59/43/673465943.db2.gz MSTXPVVHFSNJHU-SUMWQHHRSA-N 1 3 356.536 0.434 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C)C1 ZINC000885015203 673498479 /nfs/dbraw/zinc/49/84/79/673498479.db2.gz VTFRLQBDAKGRGI-NNXHMXCWSA-N 1 3 350.507 0.870 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887083249 673621032 /nfs/dbraw/zinc/62/10/32/673621032.db2.gz VFPNSNNILPHBSW-IBGZPJMESA-N 1 3 350.507 0.923 20 0 FCADHO C[NH+](C)CCN1CCC(N2C(=O)N[C@H](CN3CCCCC3)C2=O)CC1 ZINC000924465382 673753608 /nfs/dbraw/zinc/75/36/08/673753608.db2.gz SCYDCROSERKLEK-MRXNPFEDSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@H]1[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354766 673788596 /nfs/dbraw/zinc/78/85/96/673788596.db2.gz LIQBSKDPKJCGME-GJZGRUSLSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@H]1[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000925354766 673788598 /nfs/dbraw/zinc/78/85/98/673788598.db2.gz LIQBSKDPKJCGME-GJZGRUSLSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@H]1[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000925354768 673788929 /nfs/dbraw/zinc/78/89/29/673788929.db2.gz LIQBSKDPKJCGME-LSDHHAIUSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@H]1[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000925354768 673788930 /nfs/dbraw/zinc/78/89/30/673788930.db2.gz LIQBSKDPKJCGME-LSDHHAIUSA-N 1 3 351.495 0.594 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC001011211783 675377462 /nfs/dbraw/zinc/37/74/62/675377462.db2.gz MEBPTLBALJEBTM-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC001011211783 675377464 /nfs/dbraw/zinc/37/74/64/675377464.db2.gz MEBPTLBALJEBTM-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040707527 675469070 /nfs/dbraw/zinc/46/90/70/675469070.db2.gz DMMXMVMYNAKBJA-OAGGEKHMSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040707527 675469072 /nfs/dbraw/zinc/46/90/72/675469072.db2.gz DMMXMVMYNAKBJA-OAGGEKHMSA-N 1 3 350.507 0.905 20 0 FCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001772503058 1167729150 /nfs/dbraw/zinc/72/91/50/1167729150.db2.gz PMUFSADORQZEOM-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC001021802680 1170076217 /nfs/dbraw/zinc/07/62/17/1170076217.db2.gz JFLNCZQJPATYFQ-CYGHRXIMSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC001021802680 1170076230 /nfs/dbraw/zinc/07/62/30/1170076230.db2.gz JFLNCZQJPATYFQ-CYGHRXIMSA-N 1 3 362.518 0.870 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21)C1CCC1 ZINC001021941452 1170328447 /nfs/dbraw/zinc/32/84/47/1170328447.db2.gz MDQUTTWXYAGPMC-WDYCEAGBSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC001021941675 1170329976 /nfs/dbraw/zinc/32/99/76/1170329976.db2.gz QJTSVBKIJRKAFM-XYJFISCASA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC001021941675 1170329988 /nfs/dbraw/zinc/32/99/88/1170329988.db2.gz QJTSVBKIJRKAFM-XYJFISCASA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC001022035371 1170444935 /nfs/dbraw/zinc/44/49/35/1170444935.db2.gz KNUMSHOCBNNIPL-RCCFBDPRSA-N 1 3 364.534 0.974 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001691223632 1170865807 /nfs/dbraw/zinc/86/58/07/1170865807.db2.gz MJUAVDNMRMNNPD-RRFJBIMHSA-N 1 3 367.494 0.189 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001691320278 1171084902 /nfs/dbraw/zinc/08/49/02/1171084902.db2.gz KPTAPCFXFSEHFB-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC001022722304 1171814610 /nfs/dbraw/zinc/81/46/10/1171814610.db2.gz ZOGBTRDTLGFXIS-IXDOHACOSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC001022722304 1171814619 /nfs/dbraw/zinc/81/46/19/1171814619.db2.gz ZOGBTRDTLGFXIS-IXDOHACOSA-N 1 3 362.518 0.872 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237736 1171876621 /nfs/dbraw/zinc/87/66/21/1171876621.db2.gz RBLIFAHDZZGWFL-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237736 1171876626 /nfs/dbraw/zinc/87/66/26/1171876626.db2.gz RBLIFAHDZZGWFL-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO CCOC1CC(CN2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)C1 ZINC001083249432 1172022135 /nfs/dbraw/zinc/02/21/35/1172022135.db2.gz FAORSWHGNPCUEU-ZGUYJTEBSA-N 1 3 363.502 0.809 20 0 FCADHO O=C(N1CCO[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249681 1172022743 /nfs/dbraw/zinc/02/27/43/1172022743.db2.gz REAOAUVHRMYOCD-FGTMMUONSA-N 1 3 363.502 0.953 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3cccn4nnnc34)CC2)CC1 ZINC000897998368 1192852887 /nfs/dbraw/zinc/85/28/87/1192852887.db2.gz QMRPWMRXBUKPMM-UHFFFAOYSA-N 1 3 357.462 0.757 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C(=O)c3cccn4nnnc34)CC2)CC1 ZINC000897998368 1192852889 /nfs/dbraw/zinc/85/28/89/1192852889.db2.gz QMRPWMRXBUKPMM-UHFFFAOYSA-N 1 3 357.462 0.757 20 0 FCADHO C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001087231189 1178851996 /nfs/dbraw/zinc/85/19/96/1178851996.db2.gz ISCBMXJJNRNWRP-VYDXJSESSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[n-]2)CC[N@@H+]1C ZINC001087257524 1180336962 /nfs/dbraw/zinc/33/69/62/1180336962.db2.gz XHNOSHGLVXHYFT-UMVBOHGHSA-N 1 3 363.462 0.265 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[n-]2)CC[N@H+]1C ZINC001087257524 1180336976 /nfs/dbraw/zinc/33/69/76/1180336976.db2.gz XHNOSHGLVXHYFT-UMVBOHGHSA-N 1 3 363.462 0.265 20 0 FCADHO CN(CC[NH+]1CCCC1)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000892529110 1181743620 /nfs/dbraw/zinc/74/36/20/1181743620.db2.gz SYGXEYTUQFKHTD-UHFFFAOYSA-N 1 3 357.462 0.963 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001267572711 1181876259 /nfs/dbraw/zinc/87/62/59/1181876259.db2.gz UMXNYOIDIJZJLL-GUDVDZBRSA-N 1 3 366.550 0.829 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001267572711 1181876262 /nfs/dbraw/zinc/87/62/62/1181876262.db2.gz UMXNYOIDIJZJLL-GUDVDZBRSA-N 1 3 366.550 0.829 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676250 1182358292 /nfs/dbraw/zinc/35/82/92/1182358292.db2.gz BMORPZNLKHQAED-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC000975203926 1183767342 /nfs/dbraw/zinc/76/73/42/1183767342.db2.gz OVQJLVYINPYHMD-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC000975203926 1183767350 /nfs/dbraw/zinc/76/73/50/1183767350.db2.gz OVQJLVYINPYHMD-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529558 1186079215 /nfs/dbraw/zinc/07/92/15/1186079215.db2.gz FTBHGHSFLTZBRC-ZOCIIQOWSA-N 1 3 368.497 0.903 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001112529487 1186083736 /nfs/dbraw/zinc/08/37/36/1186083736.db2.gz BFROENWTPUOGSS-ZWOKBUDYSA-N 1 3 362.518 0.779 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112529713 1186089012 /nfs/dbraw/zinc/08/90/12/1186089012.db2.gz LRQYNFXSLCWYQP-GUXCAODWSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112529962 1186093719 /nfs/dbraw/zinc/09/37/19/1186093719.db2.gz XNEYUXZBVPISRE-AOIWGVFYSA-N 1 3 360.506 0.838 20 0 FCADHO Cc1cc(CN2CCC3(C2)CCN(C(=O)CN(C)C(N)=[NH2+])CC3)n(C)n1 ZINC001269992294 1187961291 /nfs/dbraw/zinc/96/12/91/1187961291.db2.gz FTCWBKLPBHCVLY-UHFFFAOYSA-N 1 3 361.494 0.368 20 0 FCADHO C[C@@H](C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1)N1CCCC1 ZINC001270491792 1188172639 /nfs/dbraw/zinc/17/26/39/1188172639.db2.gz YHYCXQFAISALHV-LPHOPBHVSA-N 1 3 366.506 0.110 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550518747 1189810419 /nfs/dbraw/zinc/81/04/19/1189810419.db2.gz IIVPLWJCZVWMFN-JKSUJKDBSA-N 1 3 367.538 0.070 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000550518746 1189810687 /nfs/dbraw/zinc/81/06/87/1189810687.db2.gz IIVPLWJCZVWMFN-HZPDHXFCSA-N 1 3 367.538 0.070 20 0 FCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088150677 1190673703 /nfs/dbraw/zinc/67/37/03/1190673703.db2.gz QKLXOZPNCKHXOJ-MSOLQXFVSA-N 1 3 360.506 0.790 20 0 FCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088150677 1190673704 /nfs/dbraw/zinc/67/37/04/1190673704.db2.gz QKLXOZPNCKHXOJ-MSOLQXFVSA-N 1 3 360.506 0.790 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425237 1190987088 /nfs/dbraw/zinc/98/70/88/1190987088.db2.gz OVIOXJGAQAAITL-IKGGRYGDSA-N 1 3 360.502 0.483 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1)C(N)=O ZINC001218035363 1224136480 /nfs/dbraw/zinc/13/64/80/1224136480.db2.gz BUXARTWRMQXMDF-IKGGRYGDSA-N 1 3 362.474 0.313 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC1CC2(C1)CC[NH2+]CC2 ZINC001218103752 1224140836 /nfs/dbraw/zinc/14/08/36/1224140836.db2.gz UJGBTGTXIKNANE-UHFFFAOYSA-N 1 3 364.446 0.672 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC1CC[NH+](C2CC2)CC1 ZINC001218289081 1224151919 /nfs/dbraw/zinc/15/19/19/1224151919.db2.gz GKNPKKJFEIMHHI-UHFFFAOYSA-N 1 3 364.446 0.766 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000550653258 1193724973 /nfs/dbraw/zinc/72/49/73/1193724973.db2.gz IJEBJBJVQURMOT-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000550653258 1193724978 /nfs/dbraw/zinc/72/49/78/1193724978.db2.gz IJEBJBJVQURMOT-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CNCc2ccccc21 ZINC001218488623 1224163398 /nfs/dbraw/zinc/16/33/98/1224163398.db2.gz YRLDSLPEORMTKF-ZDUSSCGKSA-N 1 3 372.425 0.984 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218488623 1224163401 /nfs/dbraw/zinc/16/34/01/1224163401.db2.gz YRLDSLPEORMTKF-ZDUSSCGKSA-N 1 3 372.425 0.984 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000550780619 1193787194 /nfs/dbraw/zinc/78/71/94/1193787194.db2.gz IMSXQCPJLSLUFM-IRXDYDNUSA-N 1 3 367.538 0.119 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000550784392 1193792164 /nfs/dbraw/zinc/79/21/64/1193792164.db2.gz UWSNSVMBRKCTIB-UHFFFAOYSA-N 1 3 367.538 0.121 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000550784392 1193792167 /nfs/dbraw/zinc/79/21/67/1193792167.db2.gz UWSNSVMBRKCTIB-UHFFFAOYSA-N 1 3 367.538 0.121 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550899672 1193818949 /nfs/dbraw/zinc/81/89/49/1193818949.db2.gz XOYQRVLJFVHTNA-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550899672 1193818950 /nfs/dbraw/zinc/81/89/50/1193818950.db2.gz XOYQRVLJFVHTNA-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000551075172 1193831969 /nfs/dbraw/zinc/83/19/69/1193831969.db2.gz SUBSCOMCCXZZKV-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000551075172 1193831970 /nfs/dbraw/zinc/83/19/70/1193831970.db2.gz SUBSCOMCCXZZKV-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO CC(C)[C@H]1N(C(=O)C2(N(C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636734 1193843442 /nfs/dbraw/zinc/84/34/42/1193843442.db2.gz CFLDHIJPSFUMDF-MTNOOBJLSA-N 1 3 367.534 0.819 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105641469 1193844968 /nfs/dbraw/zinc/84/49/68/1193844968.db2.gz BNWBHNABLJAJDX-NPNMTCQASA-N 1 3 368.522 0.168 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105641469 1193844969 /nfs/dbraw/zinc/84/49/69/1193844969.db2.gz BNWBHNABLJAJDX-NPNMTCQASA-N 1 3 368.522 0.168 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ncnc2[nH]ccc21 ZINC001218558997 1224173222 /nfs/dbraw/zinc/17/32/22/1224173222.db2.gz JLADWZBANMBJLP-STQMWFEESA-N 1 3 359.434 0.344 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553685652 1194015432 /nfs/dbraw/zinc/01/54/32/1194015432.db2.gz ZGVXYDXFJJFJHG-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000553685652 1194015437 /nfs/dbraw/zinc/01/54/37/1194015437.db2.gz ZGVXYDXFJJFJHG-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898594619 1194049020 /nfs/dbraw/zinc/04/90/20/1194049020.db2.gz PVPHBEPXNNGTQJ-INIZCTEOSA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898594619 1194049024 /nfs/dbraw/zinc/04/90/24/1194049024.db2.gz PVPHBEPXNNGTQJ-INIZCTEOSA-N 1 3 365.522 0.666 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675811 1194104624 /nfs/dbraw/zinc/10/46/24/1194104624.db2.gz RSQSPPLZNZGAJU-OHDICMOHSA-N 1 3 368.522 0.039 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675810 1194105024 /nfs/dbraw/zinc/10/50/24/1194105024.db2.gz RSQSPPLZNZGAJU-LTDCPUDJSA-N 1 3 368.522 0.039 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[NH2+]1 ZINC000842267280 1194143934 /nfs/dbraw/zinc/14/39/34/1194143934.db2.gz WFNJSWSRPCUFIM-SJLPKXTDSA-N 1 3 360.502 0.876 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001083522969 1194144229 /nfs/dbraw/zinc/14/42/29/1194144229.db2.gz GFGTVILLFWBFHM-QRVBRYPASA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001083522969 1194144233 /nfs/dbraw/zinc/14/42/33/1194144233.db2.gz GFGTVILLFWBFHM-QRVBRYPASA-N 1 3 365.518 0.981 20 0 FCADHO CC(C)(C)N1CCN[C@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)C1 ZINC001218696093 1224198423 /nfs/dbraw/zinc/19/84/23/1224198423.db2.gz MWMBSJHWTDALAD-INIZCTEOSA-N 1 3 360.506 0.821 20 0 FCADHO Nc1cccnc1N(C(=O)[C@@H]1CC[C@]2(C1)CNCCO2)C1CC[NH2+]CC1 ZINC001218695056 1224198514 /nfs/dbraw/zinc/19/85/14/1224198514.db2.gz KIMKBKOLLFWGCS-KUHUBIRLSA-N 1 3 359.474 0.908 20 0 FCADHO O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218744211 1224210283 /nfs/dbraw/zinc/21/02/83/1224210283.db2.gz AMTBVJGZHWJVGV-AUUYWEPGSA-N 1 3 370.457 0.761 20 0 FCADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076365785 1194420718 /nfs/dbraw/zinc/42/07/18/1194420718.db2.gz NFXFUJUEZAQTCT-RCCFBDPRSA-N 1 3 356.470 0.783 20 0 FCADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076365784 1194421070 /nfs/dbraw/zinc/42/10/70/1194421070.db2.gz NFXFUJUEZAQTCT-OKZBNKHCSA-N 1 3 356.470 0.783 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCN4)cc2)CC1 ZINC001218845630 1224238806 /nfs/dbraw/zinc/23/88/06/1224238806.db2.gz FWUWEOOQDSPING-PXNSSMCTSA-N 1 3 357.502 0.714 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1)C1CCC1 ZINC001083563562 1195222596 /nfs/dbraw/zinc/22/25/96/1195222596.db2.gz VQHBGJRGJRUZOQ-SQNIBIBYSA-N 1 3 365.518 0.839 20 0 FCADHO CC1(C)CO[C@H](CN2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001077309054 1195410648 /nfs/dbraw/zinc/41/06/48/1195410648.db2.gz YUYPILWKEOADCP-GVDBMIGSSA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4cncc4c3)C2)C1 ZINC001077309054 1195410654 /nfs/dbraw/zinc/41/06/54/1195410654.db2.gz YUYPILWKEOADCP-GVDBMIGSSA-N 1 3 358.442 0.924 20 0 FCADHO CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4cncc4c3)C2)C1 ZINC001077309054 1195410658 /nfs/dbraw/zinc/41/06/58/1195410658.db2.gz YUYPILWKEOADCP-GVDBMIGSSA-N 1 3 358.442 0.924 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)cc2C1 ZINC000904509197 1195540594 /nfs/dbraw/zinc/54/05/94/1195540594.db2.gz DORPBMVIYTWPEA-ZTFGCOKTSA-N 1 3 359.474 0.961 20 0 FCADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905046418 1195571819 /nfs/dbraw/zinc/57/18/19/1195571819.db2.gz ADFOGQMGVZSYQZ-WOJBJXKFSA-N 1 3 363.502 0.426 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000906213553 1195616864 /nfs/dbraw/zinc/61/68/64/1195616864.db2.gz JCIQBEDJBPEFGG-UHFFFAOYSA-N 1 3 369.473 0.747 20 0 FCADHO CN(C)CCn1nccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000907290151 1195688697 /nfs/dbraw/zinc/68/86/97/1195688697.db2.gz AWTIRYPZICMDQK-SFHVURJKSA-N 1 3 371.485 0.941 20 0 FCADHO CN(C)CCn1nccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000907290151 1195688700 /nfs/dbraw/zinc/68/87/00/1195688700.db2.gz AWTIRYPZICMDQK-SFHVURJKSA-N 1 3 371.485 0.941 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236561 1195734733 /nfs/dbraw/zinc/73/47/33/1195734733.db2.gz GRZZMQABBWJWEV-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236561 1195734738 /nfs/dbraw/zinc/73/47/38/1195734738.db2.gz GRZZMQABBWJWEV-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236564 1195735477 /nfs/dbraw/zinc/73/54/77/1195735477.db2.gz GRZZMQABBWJWEV-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000908236564 1195735481 /nfs/dbraw/zinc/73/54/81/1195735481.db2.gz GRZZMQABBWJWEV-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000910832271 1195851477 /nfs/dbraw/zinc/85/14/77/1195851477.db2.gz MAPXDAQUZUGLMV-WMZOPIPTSA-N 1 3 371.485 0.815 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911103986 1195890537 /nfs/dbraw/zinc/89/05/37/1195890537.db2.gz VUUAGNMSBWGLFW-CVEARBPZSA-N 1 3 373.501 0.921 20 0 FCADHO C[C@@H]1COC[C@@H]1NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000911313166 1195936743 /nfs/dbraw/zinc/93/67/43/1195936743.db2.gz DDUUOFNLROIUMJ-WBVHZDCISA-N 1 3 374.485 0.247 20 0 FCADHO C[C@@H]1COC[C@H]1NC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000911313164 1195936996 /nfs/dbraw/zinc/93/69/96/1195936996.db2.gz DDUUOFNLROIUMJ-NVXWUHKLSA-N 1 3 374.485 0.247 20 0 FCADHO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000912723465 1196361118 /nfs/dbraw/zinc/36/11/18/1196361118.db2.gz HITPTLKHVSHGMQ-HXUWFJFHSA-N 1 3 373.545 0.412 20 0 FCADHO CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000912723465 1196361124 /nfs/dbraw/zinc/36/11/24/1196361124.db2.gz HITPTLKHVSHGMQ-HXUWFJFHSA-N 1 3 373.545 0.412 20 0 FCADHO CN(CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049967 1197741887 /nfs/dbraw/zinc/74/18/87/1197741887.db2.gz ZPGCTPLRABZILU-GQIGUUNPSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049967 1197741894 /nfs/dbraw/zinc/74/18/94/1197741894.db2.gz ZPGCTPLRABZILU-GQIGUUNPSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246590 1197779665 /nfs/dbraw/zinc/77/96/65/1197779665.db2.gz PNEJRMNLTMKUMK-HZPDHXFCSA-N 1 3 367.538 0.862 20 0 FCADHO COc1cccnc1CC(=O)NC1CCCCC1[NH2+]Cc1ncnn1C ZINC001085311111 1197812005 /nfs/dbraw/zinc/81/20/05/1197812005.db2.gz MIZVBDDIBPXJPR-ZIAGYGMSSA-N 1 3 358.446 0.978 20 0 FCADHO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1CNCCN1 ZINC001219489192 1224486125 /nfs/dbraw/zinc/48/61/25/1224486125.db2.gz KXYRWPPQLRVLFJ-KRWDZBQOSA-N 1 3 361.490 0.726 20 0 FCADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)C1 ZINC001219642368 1224543238 /nfs/dbraw/zinc/54/32/38/1224543238.db2.gz SGSOEKIWHPXRRB-JYJNAYRXSA-N 1 3 361.490 0.671 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384732 1200088024 /nfs/dbraw/zinc/08/80/24/1200088024.db2.gz AEOXBUJPMDABFE-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129384732 1200088034 /nfs/dbraw/zinc/08/80/34/1200088034.db2.gz AEOXBUJPMDABFE-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@H](N)CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753085 1224595620 /nfs/dbraw/zinc/59/56/20/1224595620.db2.gz ALWDPTWJXCHDBS-IAGOWNOFSA-N 1 3 373.501 0.953 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000785521705 1200766918 /nfs/dbraw/zinc/76/69/18/1200766918.db2.gz VILPRKGWVLTOOE-SJORKVTESA-N 1 3 366.506 0.204 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787130789 1200869610 /nfs/dbraw/zinc/86/96/10/1200869610.db2.gz PBKIZFPJWGRKDZ-QGZVFWFLSA-N 1 3 366.506 0.300 20 0 FCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837094 1224646961 /nfs/dbraw/zinc/64/69/61/1224646961.db2.gz HRDGSVDYLUXURY-SNRMKQJTSA-N 1 3 365.449 0.597 20 0 FCADHO N[C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837136 1224647137 /nfs/dbraw/zinc/64/71/37/1224647137.db2.gz HWEVGCLQLMJHMO-DCPHZVHLSA-N 1 3 359.470 0.240 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129878992 1201411670 /nfs/dbraw/zinc/41/16/70/1201411670.db2.gz MXYIZBQZPVJENO-XHSDSOJGSA-N 1 3 370.473 0.336 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219898203 1224674432 /nfs/dbraw/zinc/67/44/32/1224674432.db2.gz HILYNVXNZYVINY-UONOGXRCSA-N 1 3 362.409 0.165 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047520 1201486381 /nfs/dbraw/zinc/48/63/81/1201486381.db2.gz FOBWDTXCFQSZLG-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130047785 1201486393 /nfs/dbraw/zinc/48/63/93/1201486393.db2.gz TWQNNBZSHXNZJA-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130136973 1201514790 /nfs/dbraw/zinc/51/47/90/1201514790.db2.gz BVHVVIQJJBJGGM-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO COCCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130148215 1201520481 /nfs/dbraw/zinc/52/04/81/1201520481.db2.gz KIGJBYXEKOLNSD-SJORKVTESA-N 1 3 364.494 0.532 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001219925808 1224684835 /nfs/dbraw/zinc/68/48/35/1224684835.db2.gz WVNGXDAGWSCHNH-ULQDDVLXSA-N 1 3 374.485 0.554 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941409 1224692755 /nfs/dbraw/zinc/69/27/55/1224692755.db2.gz XPSYIBGYDRHSBI-DLBZAZTESA-N 1 3 361.490 0.791 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941409 1224692759 /nfs/dbraw/zinc/69/27/59/1224692759.db2.gz XPSYIBGYDRHSBI-DLBZAZTESA-N 1 3 361.490 0.791 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070299 1202856280 /nfs/dbraw/zinc/85/62/80/1202856280.db2.gz OHGMXNUHOMKRQF-GVDBMIGSSA-N 1 3 363.506 0.825 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131583086 1202918207 /nfs/dbraw/zinc/91/82/07/1202918207.db2.gz OIUPPRCOWPDMKY-MJGOQNOKSA-N 1 3 371.522 0.323 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604773 1202918568 /nfs/dbraw/zinc/91/85/68/1202918568.db2.gz GLMTWJWCAAHXCO-LMMKCTJWSA-N 1 3 369.506 0.075 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001131597173 1202919577 /nfs/dbraw/zinc/91/95/77/1202919577.db2.gz PIOKAHDFFQCOBO-JZXOWHBKSA-N 1 3 368.522 0.578 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001131597062 1202919691 /nfs/dbraw/zinc/91/96/91/1202919691.db2.gz JJTBMVBARBAJRM-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131609040 1202920447 /nfs/dbraw/zinc/92/04/47/1202920447.db2.gz XCIQLLZHSOQHBU-LESCRADOSA-N 1 3 368.522 0.447 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NCCNCC(=O)N2CCCC2)[C@@H](c2ccccc2)C1 ZINC001134121241 1203014952 /nfs/dbraw/zinc/01/49/52/1203014952.db2.gz UEDWJZBIPNOHLS-MSOLQXFVSA-N 1 3 358.486 0.660 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NCCNCC(=O)N2CCCC2)[C@@H](c2ccccc2)C1 ZINC001134121241 1203014955 /nfs/dbraw/zinc/01/49/55/1203014955.db2.gz UEDWJZBIPNOHLS-MSOLQXFVSA-N 1 3 358.486 0.660 20 0 FCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126255 1203015583 /nfs/dbraw/zinc/01/55/83/1203015583.db2.gz HWKJFXNXAMFTOV-FGTMMUONSA-N 1 3 358.486 0.658 20 0 FCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126255 1203015588 /nfs/dbraw/zinc/01/55/88/1203015588.db2.gz HWKJFXNXAMFTOV-FGTMMUONSA-N 1 3 358.486 0.658 20 0 FCADHO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000816522436 1203071840 /nfs/dbraw/zinc/07/18/40/1203071840.db2.gz ZBCMIQANJHJUJK-OAGGEKHMSA-N 1 3 366.506 0.901 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817927185 1203124491 /nfs/dbraw/zinc/12/44/91/1203124491.db2.gz ZCKPQYQJZIZFTG-AEFFLSMTSA-N 1 3 360.502 0.815 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000817975274 1203129722 /nfs/dbraw/zinc/12/97/22/1203129722.db2.gz SMWRUVNWHPYPQA-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO COc1ccc(OC)c([C@@H](O)C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000819005004 1203147373 /nfs/dbraw/zinc/14/73/73/1203147373.db2.gz VXRLEEVVCCFWJW-YOEHRIQHSA-N 1 3 365.474 0.914 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc2n[nH]cc21 ZINC001220309517 1224825298 /nfs/dbraw/zinc/82/52/98/1224825298.db2.gz ZIFGPQUYNMYJBG-RDJZCZTQSA-N 1 3 372.473 0.626 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)cn1 ZINC000846321379 1204613856 /nfs/dbraw/zinc/61/38/56/1204613856.db2.gz PSWHPCHBQZCLTD-KRWDZBQOSA-N 1 3 370.457 0.386 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001144935909 1204661252 /nfs/dbraw/zinc/66/12/52/1204661252.db2.gz KVRRUPANEZHTBD-GBESFXJTSA-N 1 3 360.502 0.802 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743119 1204839840 /nfs/dbraw/zinc/83/98/40/1204839840.db2.gz KIAQXHDZYMQICE-WTANOLMUSA-N 1 3 362.474 0.056 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091743119 1204839841 /nfs/dbraw/zinc/83/98/41/1204839841.db2.gz KIAQXHDZYMQICE-WTANOLMUSA-N 1 3 362.474 0.056 20 0 FCADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)c1 ZINC001087010539 1204897813 /nfs/dbraw/zinc/89/78/13/1204897813.db2.gz GCLZIJRMXXJENM-RBUKOAKNSA-N 1 3 371.485 0.672 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087083557 1204970469 /nfs/dbraw/zinc/97/04/69/1204970469.db2.gz KQEZYBBFCKWTFR-KBAYOESNSA-N 1 3 363.506 0.858 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001091985454 1205094039 /nfs/dbraw/zinc/09/40/39/1205094039.db2.gz RWFAXIYHXWZWNG-MDZRGWNJSA-N 1 3 365.522 0.378 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001091985454 1205094042 /nfs/dbraw/zinc/09/40/42/1205094042.db2.gz RWFAXIYHXWZWNG-MDZRGWNJSA-N 1 3 365.522 0.378 20 0 FCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481959 1224887834 /nfs/dbraw/zinc/88/78/34/1224887834.db2.gz XFBSYUJSZFGGNX-FAJBIJEISA-N 1 3 365.474 0.632 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)n1C ZINC001093821605 1206123435 /nfs/dbraw/zinc/12/34/35/1206123435.db2.gz CYGMISMBSSVUKN-SIIHOXLZSA-N 1 3 362.522 0.902 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1CNCc1nncn1C ZINC001093942124 1206156030 /nfs/dbraw/zinc/15/60/30/1206156030.db2.gz RFEQRWHXDCWHKO-KYJSFNMBSA-N 1 3 360.506 0.874 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNCc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041913 1206173926 /nfs/dbraw/zinc/17/39/26/1206173926.db2.gz IDHSYIQWFQWJPO-BZUAXINKSA-N 1 3 366.485 0.774 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNCc3ncnn3CCF)[C@H](C)C2)C1 ZINC001094041913 1206173927 /nfs/dbraw/zinc/17/39/27/1206173927.db2.gz IDHSYIQWFQWJPO-BZUAXINKSA-N 1 3 366.485 0.774 20 0 FCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001177651883 1206344953 /nfs/dbraw/zinc/34/49/53/1206344953.db2.gz XEZOGXBFSFBCIO-GOEBONIOSA-N 1 3 360.462 0.665 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(C3CC3)C3CC3)C2)CC[N@@H+]1C ZINC001182676665 1206440892 /nfs/dbraw/zinc/44/08/92/1206440892.db2.gz PODHVLJNFBVUSR-KBRIMQKVSA-N 1 3 362.518 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(C3CC3)C3CC3)C2)CC[N@H+]1C ZINC001182676665 1206440893 /nfs/dbraw/zinc/44/08/93/1206440893.db2.gz PODHVLJNFBVUSR-KBRIMQKVSA-N 1 3 362.518 0.822 20 0 FCADHO CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001273546560 1207386338 /nfs/dbraw/zinc/38/63/38/1207386338.db2.gz ABLIPUMVWMMQSZ-IBGZPJMESA-N 1 3 368.522 0.357 20 0 FCADHO CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971155 1207492966 /nfs/dbraw/zinc/49/29/66/1207492966.db2.gz OIXISJNJNXNXED-OKZBNKHCSA-N 1 3 367.534 0.894 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159590 1207513879 /nfs/dbraw/zinc/51/38/79/1207513879.db2.gz AWQOIZDMDBAHHX-RRFJBIMHSA-N 1 3 364.490 0.302 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)CC(C)(C)C ZINC001189159590 1207513885 /nfs/dbraw/zinc/51/38/85/1207513885.db2.gz AWQOIZDMDBAHHX-RRFJBIMHSA-N 1 3 364.490 0.302 20 0 FCADHO CCOC(=O)C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cccc(O)c1 ZINC001220667933 1225001096 /nfs/dbraw/zinc/00/10/96/1225001096.db2.gz HLKWGLGOZCTYAI-IDHHARJASA-N 1 3 361.442 0.702 20 0 FCADHO CC(C)COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802081 1207610406 /nfs/dbraw/zinc/61/04/06/1207610406.db2.gz RCMJFSVHFNAVFO-OKZBNKHCSA-N 1 3 365.518 0.648 20 0 FCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831928 1207978150 /nfs/dbraw/zinc/97/81/50/1207978150.db2.gz IVWKFBGNOAHGDT-YSYSEBPNSA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831928 1207978153 /nfs/dbraw/zinc/97/81/53/1207978153.db2.gz IVWKFBGNOAHGDT-YSYSEBPNSA-N 1 3 363.502 0.757 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306481 1208071045 /nfs/dbraw/zinc/07/10/45/1208071045.db2.gz FWPHOILKWQDEKH-RCCFBDPRSA-N 1 3 371.522 0.465 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199024019 1208310446 /nfs/dbraw/zinc/31/04/46/1208310446.db2.gz XMYJSYNKECYPDQ-GUDVDZBRSA-N 1 3 367.534 0.965 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CN1CC[C@@H](C)C1 ZINC001488537071 1208531677 /nfs/dbraw/zinc/53/16/77/1208531677.db2.gz XSDSYEANHZNBJM-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CN1CC[C@@H](C)C1 ZINC001488537071 1208531685 /nfs/dbraw/zinc/53/16/85/1208531685.db2.gz XSDSYEANHZNBJM-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)CCC1 ZINC001489272029 1208749745 /nfs/dbraw/zinc/74/97/45/1208749745.db2.gz IGONOCBYCRCILY-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC([NH3+])(CC3CCC3)CC2)COC1(C)C ZINC001220972301 1225166884 /nfs/dbraw/zinc/16/68/84/1225166884.db2.gz CJGITOUIPIVQSI-ZFWWWQNUSA-N 1 3 366.506 0.807 20 0 FCADHO NC(=O)c1ccc(CCN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000866665749 1210001168 /nfs/dbraw/zinc/00/11/68/1210001168.db2.gz GECVQAQCNQPANM-ROUUACIJSA-N 1 3 371.485 0.548 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000873823409 1210262559 /nfs/dbraw/zinc/26/25/59/1210262559.db2.gz UVDZQQGGWKTVSW-UHFFFAOYSA-N 1 3 367.469 0.782 20 0 FCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000876781528 1210430554 /nfs/dbraw/zinc/43/05/54/1210430554.db2.gz HWEXULWWCDBGRZ-NVXWUHKLSA-N 1 3 362.522 0.729 20 0 FCADHO CO[C@H]1COCC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000883249064 1210660058 /nfs/dbraw/zinc/66/00/58/1210660058.db2.gz RMOKHDABWQWZJG-ROUUACIJSA-N 1 3 368.522 0.990 20 0 FCADHO CN(C(=O)C(=O)NCCCCN1CCN(C)CC1)C1(C[NH3+])CCCCC1 ZINC000884597918 1210759169 /nfs/dbraw/zinc/75/91/69/1210759169.db2.gz ODBMUYPDLJLVQV-UHFFFAOYSA-N 1 3 367.538 0.250 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1=CC[N@H+](C)CC1 ZINC000884623358 1210764743 /nfs/dbraw/zinc/76/47/43/1210764743.db2.gz ANUUQTSZSOTSDH-KSSFIOAISA-N 1 3 356.470 0.584 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1)C1=CC[N@@H+](C)CC1 ZINC000884623358 1210764755 /nfs/dbraw/zinc/76/47/55/1210764755.db2.gz ANUUQTSZSOTSDH-KSSFIOAISA-N 1 3 356.470 0.584 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007141 1210807831 /nfs/dbraw/zinc/80/78/31/1210807831.db2.gz FZLWVORISHAHKG-YYIAUSFCSA-N 1 3 366.506 0.202 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138044 1210811879 /nfs/dbraw/zinc/81/18/79/1210811879.db2.gz ONNVMCOERNVFOW-INIZCTEOSA-N 1 3 366.506 0.206 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000885156031 1210813442 /nfs/dbraw/zinc/81/34/42/1210813442.db2.gz JHMZDWSHNCUABA-RTBURBONSA-N 1 3 370.497 0.904 20 0 FCADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885154284 1210813510 /nfs/dbraw/zinc/81/35/10/1210813510.db2.gz SFBXBZHFCHQCLW-KRWDZBQOSA-N 1 3 358.486 0.760 20 0 FCADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885154285 1210813710 /nfs/dbraw/zinc/81/37/10/1210813710.db2.gz SFBXBZHFCHQCLW-QGZVFWFLSA-N 1 3 358.486 0.760 20 0 FCADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000885161206 1210814086 /nfs/dbraw/zinc/81/40/86/1210814086.db2.gz CMAJMLROWYYRBJ-GOSISDBHSA-N 1 3 370.497 0.904 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110830506 1210986527 /nfs/dbraw/zinc/98/65/27/1210986527.db2.gz FQWFPFKVQAYHIQ-COXLTSFISA-N 1 3 363.502 0.996 20 0 FCADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110830506 1210986529 /nfs/dbraw/zinc/98/65/29/1210986529.db2.gz FQWFPFKVQAYHIQ-COXLTSFISA-N 1 3 363.502 0.996 20 0 FCADHO CC(=O)N1CCC(C[N@H+]2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)CC1 ZINC001275893002 1211307308 /nfs/dbraw/zinc/30/73/08/1211307308.db2.gz NSIKFCRGSGJHFH-LJQANCHMSA-N 1 3 366.506 0.110 20 0 FCADHO CC(=O)N1CCC(C[N@@H+]2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)CC1 ZINC001275893002 1211307309 /nfs/dbraw/zinc/30/73/09/1211307309.db2.gz NSIKFCRGSGJHFH-LJQANCHMSA-N 1 3 366.506 0.110 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3c[nH]c4ncccc34)C2)OCC1=O ZINC001275932345 1211311930 /nfs/dbraw/zinc/31/19/30/1211311930.db2.gz CZZPDIQZLSHIBZ-LJQANCHMSA-N 1 3 357.458 0.928 20 0 FCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cc4c(cn3)OCCO4)C2)C1=O ZINC001276233235 1211385782 /nfs/dbraw/zinc/38/57/82/1211385782.db2.gz INFAWOYAMICYRB-IBGZPJMESA-N 1 3 360.458 0.839 20 0 FCADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924662892 1211477002 /nfs/dbraw/zinc/47/70/02/1211477002.db2.gz RUNAKHFQXSNJEF-AWEZNQCLSA-N 1 3 359.474 0.895 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)C3CCN([C@H]4CC[NH2+]C4)CC3)CC2)NC1 ZINC001221391890 1225305259 /nfs/dbraw/zinc/30/52/59/1225305259.db2.gz HDOKWMFKCZYPJU-SFHVURJKSA-N 1 3 359.518 0.629 20 0 FCADHO COc1cccc(OC)c1OC[C@@H](O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931485908 1211757457 /nfs/dbraw/zinc/75/74/57/1211757457.db2.gz SGOZEJIESFRXTI-HNNXBMFYSA-N 1 3 368.474 0.832 20 0 FCADHO CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282410 1212236080 /nfs/dbraw/zinc/23/60/80/1212236080.db2.gz OPAHWOXVKUCNBT-TVFCKZIOSA-N 1 3 365.518 0.837 20 0 FCADHO C[C@@H](O)CCCN1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559720 1225366820 /nfs/dbraw/zinc/36/68/20/1225366820.db2.gz NAYJDJZNDMNOPZ-JFIYKMOQSA-N 1 3 363.506 0.752 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001111307628 1212530554 /nfs/dbraw/zinc/53/05/54/1212530554.db2.gz OCLYFJNUBGGBNL-TVFCKZIOSA-N 1 3 371.522 0.464 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001111307628 1212530557 /nfs/dbraw/zinc/53/05/57/1212530557.db2.gz OCLYFJNUBGGBNL-TVFCKZIOSA-N 1 3 371.522 0.464 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000952724043 1212973587 /nfs/dbraw/zinc/97/35/87/1212973587.db2.gz CCVIHCBOKLHSHP-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000952724043 1212973591 /nfs/dbraw/zinc/97/35/91/1212973591.db2.gz CCVIHCBOKLHSHP-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000959857190 1213533582 /nfs/dbraw/zinc/53/35/82/1213533582.db2.gz KHFDRFPPCQXYEV-GDBMZVCRSA-N 1 3 359.474 0.791 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCn4nc(C)nc4C)C[C@H]32)CC[N@@H+]1C ZINC000959987158 1213572100 /nfs/dbraw/zinc/57/21/00/1213572100.db2.gz VWRNZANLAPPSSL-QXDIGNSFSA-N 1 3 360.506 0.672 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCn4nc(C)nc4C)C[C@H]32)CC[N@H+]1C ZINC000959987158 1213572105 /nfs/dbraw/zinc/57/21/05/1213572105.db2.gz VWRNZANLAPPSSL-QXDIGNSFSA-N 1 3 360.506 0.672 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@@H+]1C ZINC001014306752 1213937160 /nfs/dbraw/zinc/93/71/60/1213937160.db2.gz VKFTUQIJMKYFEO-RGPZOAQRSA-N 1 3 359.474 0.932 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@H+]1C ZINC001014306752 1213937167 /nfs/dbraw/zinc/93/71/67/1213937167.db2.gz VKFTUQIJMKYFEO-RGPZOAQRSA-N 1 3 359.474 0.932 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961664447 1214260908 /nfs/dbraw/zinc/26/09/08/1214260908.db2.gz ANDAVIHNMJGZLS-IGKNDFSCSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)CC[N@H+]1C ZINC000961664447 1214260917 /nfs/dbraw/zinc/26/09/17/1214260917.db2.gz ANDAVIHNMJGZLS-IGKNDFSCSA-N 1 3 362.518 0.728 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221944974 1225545027 /nfs/dbraw/zinc/54/50/27/1225545027.db2.gz CUSDTHUZTWDCAS-KZNAEPCWSA-N 1 3 366.506 0.014 20 0 FCADHO CC(=O)NCCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221944974 1225545033 /nfs/dbraw/zinc/54/50/33/1225545033.db2.gz CUSDTHUZTWDCAS-KZNAEPCWSA-N 1 3 366.506 0.014 20 0 FCADHO O=C(N1C[C@H]2CCN(CCCO[C@@H]3CCOC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001221949592 1225548517 /nfs/dbraw/zinc/54/85/17/1225548517.db2.gz CNRAJRAOPJOWMB-KZNAEPCWSA-N 1 3 363.502 0.811 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342864 1216037215 /nfs/dbraw/zinc/03/72/15/1216037215.db2.gz QJKNTELQFIOCMT-CEXWTWQISA-N 1 3 370.497 0.753 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001000342864 1216037224 /nfs/dbraw/zinc/03/72/24/1216037224.db2.gz QJKNTELQFIOCMT-CEXWTWQISA-N 1 3 370.497 0.753 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057587206 1216362730 /nfs/dbraw/zinc/36/27/30/1216362730.db2.gz AEAHUNSEBIJPQU-ZACQAIPSSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057587206 1216362737 /nfs/dbraw/zinc/36/27/37/1216362737.db2.gz AEAHUNSEBIJPQU-ZACQAIPSSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276850824 1225668237 /nfs/dbraw/zinc/66/82/37/1225668237.db2.gz GPLVNQCSCXIOOT-ICSRJNTNSA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@H](C)[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276850824 1225668240 /nfs/dbraw/zinc/66/82/40/1225668240.db2.gz GPLVNQCSCXIOOT-ICSRJNTNSA-N 1 3 366.550 0.973 20 0 FCADHO CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150520 1225683931 /nfs/dbraw/zinc/68/39/31/1225683931.db2.gz BCRQTXVJFXBUMC-QGRXYFRJSA-N 1 3 363.502 0.809 20 0 FCADHO CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150520 1225683935 /nfs/dbraw/zinc/68/39/35/1225683935.db2.gz BCRQTXVJFXBUMC-QGRXYFRJSA-N 1 3 363.502 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068884223 1216764803 /nfs/dbraw/zinc/76/48/03/1216764803.db2.gz BRAOEFGBUFTWPD-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068884223 1216764809 /nfs/dbraw/zinc/76/48/09/1216764809.db2.gz BRAOEFGBUFTWPD-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CC(C)N(C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068901433 1216766939 /nfs/dbraw/zinc/76/69/39/1216766939.db2.gz IVBAYDBQULKBPR-BZUAXINKSA-N 1 3 366.506 0.153 20 0 FCADHO CC(C)N(C)CC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068901433 1216766942 /nfs/dbraw/zinc/76/69/42/1216766942.db2.gz IVBAYDBQULKBPR-BZUAXINKSA-N 1 3 366.506 0.153 20 0 FCADHO C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961145 1225771015 /nfs/dbraw/zinc/77/10/15/1225771015.db2.gz ZJZFRSLROQJCEQ-AZUAARDMSA-N 1 3 366.550 0.709 20 0 FCADHO C[C@H](O)C[N@H+]1CCC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276961145 1225771020 /nfs/dbraw/zinc/77/10/20/1225771020.db2.gz ZJZFRSLROQJCEQ-AZUAARDMSA-N 1 3 366.550 0.709 20 0 FCADHO CCOC(=O)[C@H]1CN(CCN(C)C)C(=O)C12CC[NH+](C[C@H](C)CO)CC2 ZINC001276974419 1225780567 /nfs/dbraw/zinc/78/05/67/1225780567.db2.gz SBRNFAAJVCUGHW-JKSUJKDBSA-N 1 3 369.506 0.280 20 0 FCADHO C[NH+](C)CCn1nccc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000901067089 1218073158 /nfs/dbraw/zinc/07/31/58/1218073158.db2.gz HWICRXKGGOYJCZ-GOSISDBHSA-N 1 3 371.485 0.594 20 0 FCADHO O=C(CN1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903734349 1218510856 /nfs/dbraw/zinc/51/08/56/1218510856.db2.gz XSHRVPIKKVWBHT-GOSISDBHSA-N 1 3 364.534 0.775 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001226613426 1225849037 /nfs/dbraw/zinc/84/90/37/1225849037.db2.gz HOISGQLJPNGNPF-KFWWJZLASA-N 1 3 367.494 0.333 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804051827 1219105129 /nfs/dbraw/zinc/10/51/29/1219105129.db2.gz VUVNAEAGPCRINK-IXDOHACOSA-N 1 3 366.506 0.060 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804051827 1219105136 /nfs/dbraw/zinc/10/51/36/1219105136.db2.gz VUVNAEAGPCRINK-IXDOHACOSA-N 1 3 366.506 0.060 20 0 FCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000804058139 1219111807 /nfs/dbraw/zinc/11/18/07/1219111807.db2.gz SZBIUWBOELAWBT-GVDBMIGSSA-N 1 3 364.490 0.053 20 0 FCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000804058139 1219111810 /nfs/dbraw/zinc/11/18/10/1219111810.db2.gz SZBIUWBOELAWBT-GVDBMIGSSA-N 1 3 364.490 0.053 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057410 1219112519 /nfs/dbraw/zinc/11/25/19/1219112519.db2.gz PKMXNGKIKUSYCS-BBWFWOEESA-N 1 3 366.506 0.156 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057410 1219112521 /nfs/dbraw/zinc/11/25/21/1219112521.db2.gz PKMXNGKIKUSYCS-BBWFWOEESA-N 1 3 366.506 0.156 20 0 FCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804059496 1219115162 /nfs/dbraw/zinc/11/51/62/1219115162.db2.gz IUNNTWTYGONNEJ-GVDBMIGSSA-N 1 3 366.506 0.299 20 0 FCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804059496 1219115164 /nfs/dbraw/zinc/11/51/64/1219115164.db2.gz IUNNTWTYGONNEJ-GVDBMIGSSA-N 1 3 366.506 0.299 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061660 1219116263 /nfs/dbraw/zinc/11/62/63/1219116263.db2.gz WBENAPOVEMYVES-JYJNAYRXSA-N 1 3 366.506 0.202 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061660 1219116267 /nfs/dbraw/zinc/11/62/67/1219116267.db2.gz WBENAPOVEMYVES-JYJNAYRXSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804061172 1219118451 /nfs/dbraw/zinc/11/84/51/1219118451.db2.gz RURNQRWAGRSWHE-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070133791 1219209451 /nfs/dbraw/zinc/20/94/51/1219209451.db2.gz OXQXZFPAHFHYSW-HZPDHXFCSA-N 1 3 368.522 0.448 20 0 FCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070133791 1219209459 /nfs/dbraw/zinc/20/94/59/1219209459.db2.gz OXQXZFPAHFHYSW-HZPDHXFCSA-N 1 3 368.522 0.448 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070284540 1219349159 /nfs/dbraw/zinc/34/91/59/1219349159.db2.gz IPEOFDSPXWGUDQ-BMFZPTHFSA-N 1 3 359.434 0.012 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070284814 1219349532 /nfs/dbraw/zinc/34/95/32/1219349532.db2.gz WIOFSBQEJQPEPO-BMFZPTHFSA-N 1 3 359.434 0.012 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070493010 1219438196 /nfs/dbraw/zinc/43/81/96/1219438196.db2.gz DTOQWRQVYHJOQF-DOTOQJQBSA-N 1 3 363.506 0.561 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515686 1219448906 /nfs/dbraw/zinc/44/89/06/1219448906.db2.gz QAHSGOBMHULZOO-SYPMSLAUSA-N 1 3 359.474 0.187 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCF)C2)C1 ZINC001070682082 1219523007 /nfs/dbraw/zinc/52/30/07/1219523007.db2.gz JBKNOLNLHFILNW-BFYDXBDKSA-N 1 3 367.469 0.383 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2CN(CCn2cncn2)C3)CC1 ZINC001099063203 1219898460 /nfs/dbraw/zinc/89/84/60/1219898460.db2.gz SSAVBMZTSFHKLC-HKUYNNGSSA-N 1 3 360.506 0.981 20 0 FCADHO O=C(N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099122871 1219921619 /nfs/dbraw/zinc/92/16/19/1219921619.db2.gz IPKBAJRLQHVFRY-KXBFYZLASA-N 1 3 361.490 0.078 20 0 FCADHO CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3occc3CN(C)C)C[C@]2(C)C1 ZINC001101340272 1220294601 /nfs/dbraw/zinc/29/46/01/1220294601.db2.gz DVUFLGFTDXZDQS-BEFAXECRSA-N 1 3 362.474 0.871 20 0 FCADHO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3occc3CN(C)C)C[C@]2(C)C1 ZINC001101340272 1220294604 /nfs/dbraw/zinc/29/46/04/1220294604.db2.gz DVUFLGFTDXZDQS-BEFAXECRSA-N 1 3 362.474 0.871 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101476070 1220366870 /nfs/dbraw/zinc/36/68/70/1220366870.db2.gz BATPYPQIOVNCDG-BEFAXECRSA-N 1 3 364.490 0.256 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101476070 1220366874 /nfs/dbraw/zinc/36/68/74/1220366874.db2.gz BATPYPQIOVNCDG-BEFAXECRSA-N 1 3 364.490 0.256 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013192 1220461513 /nfs/dbraw/zinc/46/15/13/1220461513.db2.gz OUEYQBUDRXVBDS-INMHGKMJSA-N 1 3 370.513 0.971 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013192 1220461515 /nfs/dbraw/zinc/46/15/15/1220461515.db2.gz OUEYQBUDRXVBDS-INMHGKMJSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046328 1220476848 /nfs/dbraw/zinc/47/68/48/1220476848.db2.gz YQXLCKQWYSUXDD-OAGGEKHMSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046328 1220476851 /nfs/dbraw/zinc/47/68/51/1220476851.db2.gz YQXLCKQWYSUXDD-OAGGEKHMSA-N 1 3 360.506 0.934 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048734 1220477309 /nfs/dbraw/zinc/47/73/09/1220477309.db2.gz NARQRGNYPYQEKB-DJIMGWMZSA-N 1 3 367.538 0.718 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048734 1220477312 /nfs/dbraw/zinc/47/73/12/1220477312.db2.gz NARQRGNYPYQEKB-DJIMGWMZSA-N 1 3 367.538 0.718 20 0 FCADHO COCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171266 1220532555 /nfs/dbraw/zinc/53/25/55/1220532555.db2.gz OYWMIQMQTAAPLM-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO COCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171266 1220532562 /nfs/dbraw/zinc/53/25/62/1220532562.db2.gz OYWMIQMQTAAPLM-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO COCCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295420 1220577948 /nfs/dbraw/zinc/57/79/48/1220577948.db2.gz JEBXKCLOJYCCGF-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488611 1220652431 /nfs/dbraw/zinc/65/24/31/1220652431.db2.gz AYKGLRXSXWRODA-HZPDHXFCSA-N 1 3 368.522 0.260 20 0 FCADHO C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102994298 1220817476 /nfs/dbraw/zinc/81/74/76/1220817476.db2.gz WMBRLPXMFVQPTK-QGPMSJSTSA-N 1 3 360.506 0.731 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103732 1220834175 /nfs/dbraw/zinc/83/41/75/1220834175.db2.gz WVYWCIPKQVNFAA-KFWWJZLASA-N 1 3 367.494 0.130 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103732 1220834176 /nfs/dbraw/zinc/83/41/76/1220834176.db2.gz WVYWCIPKQVNFAA-KFWWJZLASA-N 1 3 367.494 0.130 20 0 FCADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111702 1220835345 /nfs/dbraw/zinc/83/53/45/1220835345.db2.gz JSJYDHDQJRBGLS-FMKPAKJESA-N 1 3 369.510 0.102 20 0 FCADHO C[C@@H]1CN(CC(=O)NC[C@@H]2CCOC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398412 1220877348 /nfs/dbraw/zinc/87/73/48/1220877348.db2.gz RHIDIDGTAWADPI-IXDOHACOSA-N 1 3 368.522 0.165 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103408743 1220878191 /nfs/dbraw/zinc/87/81/91/1220878191.db2.gz RMXXVGQWYINTKI-BRWVUGGUSA-N 1 3 367.538 0.672 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001103408743 1220878193 /nfs/dbraw/zinc/87/81/93/1220878193.db2.gz RMXXVGQWYINTKI-BRWVUGGUSA-N 1 3 367.538 0.672 20 0 FCADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103434337 1220882803 /nfs/dbraw/zinc/88/28/03/1220882803.db2.gz ZOCBSAYQWQVMMM-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103434337 1220882804 /nfs/dbraw/zinc/88/28/04/1220882804.db2.gz ZOCBSAYQWQVMMM-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103643853 1220926213 /nfs/dbraw/zinc/92/62/13/1220926213.db2.gz SXRDRBCYFQDONP-KBAYOESNSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103643853 1220926219 /nfs/dbraw/zinc/92/62/19/1220926219.db2.gz SXRDRBCYFQDONP-KBAYOESNSA-N 1 3 364.534 0.929 20 0 FCADHO CCn1nncc1CN1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646594 1220926958 /nfs/dbraw/zinc/92/69/58/1220926958.db2.gz AQPDNIIEWFMDTG-HZPDHXFCSA-N 1 3 360.506 0.968 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103665842 1220933842 /nfs/dbraw/zinc/93/38/42/1220933842.db2.gz WIGOUUQACIQZIR-KZNAEPCWSA-N 1 3 365.522 0.660 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103665842 1220933846 /nfs/dbraw/zinc/93/38/46/1220933846.db2.gz WIGOUUQACIQZIR-KZNAEPCWSA-N 1 3 365.522 0.660 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718754 1220951246 /nfs/dbraw/zinc/95/12/46/1220951246.db2.gz DDZHEDDZBJRCSB-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718754 1220951258 /nfs/dbraw/zinc/95/12/58/1220951258.db2.gz DDZHEDDZBJRCSB-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103719273 1220952897 /nfs/dbraw/zinc/95/28/97/1220952897.db2.gz XIAKOJKHZKPQBQ-ZACQAIPSSA-N 1 3 368.522 0.165 20 0 FCADHO COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103719273 1220952899 /nfs/dbraw/zinc/95/28/99/1220952899.db2.gz XIAKOJKHZKPQBQ-ZACQAIPSSA-N 1 3 368.522 0.165 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CCC1=O)C2 ZINC001111925941 1221172292 /nfs/dbraw/zinc/17/22/92/1221172292.db2.gz QGFQMUCWQWPPCH-KXBFYZLASA-N 1 3 364.490 0.448 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CCC1=O)C2 ZINC001111925941 1221172293 /nfs/dbraw/zinc/17/22/93/1221172293.db2.gz QGFQMUCWQWPPCH-KXBFYZLASA-N 1 3 364.490 0.448 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000784387491 1221241810 /nfs/dbraw/zinc/24/18/10/1221241810.db2.gz BNBYDNZHGDDDBS-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001112397254 1221252081 /nfs/dbraw/zinc/25/20/81/1221252081.db2.gz YZTFMZXBFNEHDD-LPHOPBHVSA-N 1 3 362.518 0.921 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229693430 1226028505 /nfs/dbraw/zinc/02/85/05/1226028505.db2.gz SCVFZYHHVIBEDZ-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229693430 1226028512 /nfs/dbraw/zinc/02/85/12/1226028512.db2.gz SCVFZYHHVIBEDZ-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229807961 1226035928 /nfs/dbraw/zinc/03/59/28/1226035928.db2.gz LXFOXQKXNZBNDC-IAGOWNOFSA-N 1 3 370.538 0.888 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001229860363 1226036912 /nfs/dbraw/zinc/03/69/12/1226036912.db2.gz SRHIRBXIHBELMF-BRWVUGGUSA-N 1 3 368.522 0.640 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001230149249 1226057777 /nfs/dbraw/zinc/05/77/77/1226057777.db2.gz BDTOZKYZPYQPHC-DJIMGWMZSA-N 1 3 364.494 0.300 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230279869 1226070859 /nfs/dbraw/zinc/07/08/59/1226070859.db2.gz ISXBLAHURGOWPI-RRFJBIMHSA-N 1 3 369.510 0.578 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001118644526 1221812960 /nfs/dbraw/zinc/81/29/60/1221812960.db2.gz OSIFBFPDFACEOV-KRWDZBQOSA-N 1 3 366.506 0.345 20 0 FCADHO CCOC(=O)C1CCC(O)(C[NH2+]CC(=O)NCCN2CCCCC2)CC1 ZINC001120513169 1222098249 /nfs/dbraw/zinc/09/82/49/1222098249.db2.gz IELUSPIZXYQTOP-UHFFFAOYSA-N 1 3 369.506 0.663 20 0 FCADHO CN1CCN(C2CC[NH+](C3CCN(C[C@@H]4CCC(=O)N4)CC3)CC2)CC1 ZINC001202899530 1222541630 /nfs/dbraw/zinc/54/16/30/1222541630.db2.gz DCMZDHZXCWXBSQ-KRWDZBQOSA-N 1 3 363.550 0.441 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841197617 1222812766 /nfs/dbraw/zinc/81/27/66/1222812766.db2.gz JMNPDZPHSSZKFJ-UHFFFAOYSA-N 1 3 361.490 0.883 20 0 FCADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000842011501 1222832724 /nfs/dbraw/zinc/83/27/24/1222832724.db2.gz PEAAMAAHRIXLOT-MJGOQNOKSA-N 1 3 362.474 0.253 20 0 FCADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000842011501 1222832725 /nfs/dbraw/zinc/83/27/25/1222832725.db2.gz PEAAMAAHRIXLOT-MJGOQNOKSA-N 1 3 362.474 0.253 20 0 FCADHO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1n[nH]c2c1CNCC2 ZINC000842509931 1222848708 /nfs/dbraw/zinc/84/87/08/1222848708.db2.gz NGSSXXDBLPVOSA-UHFFFAOYSA-N 1 3 370.457 0.592 20 0 FCADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843384847 1222874433 /nfs/dbraw/zinc/87/44/33/1222874433.db2.gz CMSFUDGMRKJBHC-CQSZACIVSA-N 1 3 365.478 0.866 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001157721394 1223080866 /nfs/dbraw/zinc/08/08/66/1223080866.db2.gz XLFYPGSMOOFREM-HNNXBMFYSA-N 1 3 357.454 0.955 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H](c1cc2ccccc2o1)N1CC[C@H]([NH3+])C1 ZINC001157721464 1223081197 /nfs/dbraw/zinc/08/11/97/1223081197.db2.gz YAJPZUHQICZTQI-BXWFABGCSA-N 1 3 372.469 0.954 20 0 FCADHO N[C@@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC001158102732 1223089239 /nfs/dbraw/zinc/08/92/39/1223089239.db2.gz WFBVETGMQQQEMN-XJKSGUPXSA-N 1 3 370.375 0.786 20 0 FCADHO N[C@@H](CCCc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120958 1223089790 /nfs/dbraw/zinc/08/97/90/1223089790.db2.gz QESOVRNHLHKMLQ-OXJNMPFZSA-N 1 3 356.470 0.275 20 0 FCADHO O=C(c1ccc2c(n1)CCNC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286154 1223094128 /nfs/dbraw/zinc/09/41/28/1223094128.db2.gz RDMZZEJQBRCUQN-UHFFFAOYSA-N 1 3 353.430 0.054 20 0 FCADHO CN(C[C@H](O)CO)C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001158800640 1223110106 /nfs/dbraw/zinc/11/01/06/1223110106.db2.gz XIDLZYHEQQVTRV-WSTZPKSXSA-N 1 3 361.486 0.300 20 0 FCADHO O=C(N1CCc2onc(Cn3ccnc3)c2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158822034 1223110356 /nfs/dbraw/zinc/11/03/56/1223110356.db2.gz SHJGACWUVIFLLQ-FZKQIMNGSA-N 1 3 356.430 0.003 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821218 1223110534 /nfs/dbraw/zinc/11/05/34/1223110534.db2.gz DDYNPKHAUDIUIZ-HNNXBMFYSA-N 1 3 360.462 0.863 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891372 1223112348 /nfs/dbraw/zinc/11/23/48/1223112348.db2.gz YBQBFGBPSLWDRB-XUWXXGDYSA-N 1 3 374.420 0.368 20 0 FCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891372 1223112349 /nfs/dbraw/zinc/11/23/49/1223112349.db2.gz YBQBFGBPSLWDRB-XUWXXGDYSA-N 1 3 374.420 0.368 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891371 1223112470 /nfs/dbraw/zinc/11/24/70/1223112470.db2.gz YBQBFGBPSLWDRB-QIIPPGSGSA-N 1 3 374.420 0.368 20 0 FCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891371 1223112472 /nfs/dbraw/zinc/11/24/72/1223112472.db2.gz YBQBFGBPSLWDRB-QIIPPGSGSA-N 1 3 374.420 0.368 20 0 FCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](N)Cc2cccc(O)c2)C1 ZINC001159135760 1223118243 /nfs/dbraw/zinc/11/82/43/1223118243.db2.gz ZAQJOCUEIXKEDR-NVXWUHKLSA-N 1 3 357.458 0.679 20 0 FCADHO CC(C)(C)N(C(=O)[C@H](N)CCCNC(N)=O)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160381 1223119638 /nfs/dbraw/zinc/11/96/38/1223119638.db2.gz JNXZGTCZLTUQEO-ZIAGYGMSSA-N 1 3 369.510 0.300 20 0 FCADHO CCOC[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)Cc2cnn(C)c21 ZINC001159393915 1223125845 /nfs/dbraw/zinc/12/58/45/1223125845.db2.gz IVSGYGUTSYLHAR-HZPDHXFCSA-N 1 3 361.490 0.757 20 0 FCADHO CCOC[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)Cc2cnn(C)c21 ZINC001159393915 1223125846 /nfs/dbraw/zinc/12/58/46/1223125846.db2.gz IVSGYGUTSYLHAR-HZPDHXFCSA-N 1 3 361.490 0.757 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159387819 1223126032 /nfs/dbraw/zinc/12/60/32/1223126032.db2.gz FTJQQSAYNOUQFA-CQSZACIVSA-N 1 3 358.450 0.084 20 0 FCADHO C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159696272 1223134050 /nfs/dbraw/zinc/13/40/50/1223134050.db2.gz ITVGZYXBQWSSFD-YYFZDKIDSA-N 1 3 373.501 0.912 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159697379 1223134520 /nfs/dbraw/zinc/13/45/20/1223134520.db2.gz NGBCXWNFKVTEDC-LUKYLMHMSA-N 1 3 372.469 0.275 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159697383 1223134581 /nfs/dbraw/zinc/13/45/81/1223134581.db2.gz NGBCXWNFKVTEDC-YYIAUSFCSA-N 1 3 372.469 0.275 20 0 FCADHO N[C@@H](C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1)C1CC[NH2+]CC1 ZINC001159887480 1223139024 /nfs/dbraw/zinc/13/90/24/1223139024.db2.gz WEZJHYYRNTUCDY-MJGOQNOKSA-N 1 3 374.489 0.001 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874159 1223139042 /nfs/dbraw/zinc/13/90/42/1223139042.db2.gz QMWGKYBHQHMEEZ-MAUKXSAKSA-N 1 3 362.478 0.131 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160065591 1223143932 /nfs/dbraw/zinc/14/39/32/1223143932.db2.gz LSMWBQPFCOBUNT-HNNXBMFYSA-N 1 3 357.462 0.371 20 0 FCADHO O=C(N1CCc2onc(Cn3cccn3)c2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160127608 1223146752 /nfs/dbraw/zinc/14/67/52/1223146752.db2.gz APPBEIOUVXHYTN-FZKQIMNGSA-N 1 3 356.430 0.003 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160230140 1223150972 /nfs/dbraw/zinc/15/09/72/1223150972.db2.gz IBDRXHGDXQMEPU-IAGOWNOFSA-N 1 3 372.473 0.520 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160420718 1223158634 /nfs/dbraw/zinc/15/86/34/1223158634.db2.gz JNBYPOIRULVWPX-CYBMUJFWSA-N 1 3 358.417 0.447 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)COC1(C)C ZINC001160463930 1223160597 /nfs/dbraw/zinc/16/05/97/1223160597.db2.gz QPIYLLHXAWXBRG-JYJNAYRXSA-N 1 3 366.506 0.774 20 0 FCADHO N[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001160537211 1223164265 /nfs/dbraw/zinc/16/42/65/1223164265.db2.gz IPTXEULQIRPAOM-GOSISDBHSA-N 1 3 369.469 0.779 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160572951 1223165399 /nfs/dbraw/zinc/16/53/99/1223165399.db2.gz DVAZXASVCRPDGT-INIZCTEOSA-N 1 3 354.454 0.736 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160572951 1223165402 /nfs/dbraw/zinc/16/54/02/1223165402.db2.gz DVAZXASVCRPDGT-INIZCTEOSA-N 1 3 354.454 0.736 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160621014 1223166484 /nfs/dbraw/zinc/16/64/84/1223166484.db2.gz IRPMHVICANRZKB-OAHLLOKOSA-N 1 3 370.432 0.159 20 0 FCADHO N[C@H](C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1)C1CC[NH2+]CC1 ZINC001160629426 1223166537 /nfs/dbraw/zinc/16/65/37/1223166537.db2.gz PBUIBADRLNURGY-SFHVURJKSA-N 1 3 372.448 0.677 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160746174 1223170780 /nfs/dbraw/zinc/17/07/80/1223170780.db2.gz BZLOUYPRRHAUPD-KRWDZBQOSA-N 1 3 368.522 0.768 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc4c(c3)CNC4)C[C@H]1C2 ZINC001160804029 1223174272 /nfs/dbraw/zinc/17/42/72/1223174272.db2.gz OVMCTLQMJXEWRF-YZLZLFLDSA-N 1 3 355.438 0.761 20 0 FCADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001160839986 1223176669 /nfs/dbraw/zinc/17/66/69/1223176669.db2.gz STSGCLFPJIFEOZ-ILZDJORESA-N 1 3 358.486 0.501 20 0 FCADHO CN(C(=O)CN1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1)c1ccccc1 ZINC001160893379 1223179424 /nfs/dbraw/zinc/17/94/24/1223179424.db2.gz AZGBXLOVUFQRIT-KRWDZBQOSA-N 1 3 361.490 0.250 20 0 FCADHO CO[C@@H](CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1)c1ccccc1 ZINC001160905545 1223180615 /nfs/dbraw/zinc/18/06/15/1223180615.db2.gz PSQUTBKOKPPDPN-SVFBPWRDSA-N 1 3 372.513 0.717 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967166 1223182549 /nfs/dbraw/zinc/18/25/49/1223182549.db2.gz JVLLMKOIDYOIFL-OLZOCXBDSA-N 1 3 369.416 0.504 20 0 FCADHO CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3COC4(CNC4)CN3)CC2)CC1 ZINC001161046668 1223184358 /nfs/dbraw/zinc/18/43/58/1223184358.db2.gz PCWHMYLJVBGZKV-GOSISDBHSA-N 1 3 364.534 0.677 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(CC(C)(C)C)C2CC[NH2+]CC2)COC1(C)C ZINC001161262119 1223192828 /nfs/dbraw/zinc/19/28/28/1223192828.db2.gz UJYZKYZSXXBHQQ-ZFWWWQNUSA-N 1 3 368.522 0.924 20 0 FCADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C2)nc1 ZINC001161299533 1223194298 /nfs/dbraw/zinc/19/42/98/1223194298.db2.gz WRDWFRVGAPXVEY-HIFRSBDPSA-N 1 3 361.446 0.339 20 0 FCADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C2)nc1 ZINC001161299533 1223194301 /nfs/dbraw/zinc/19/43/01/1223194301.db2.gz WRDWFRVGAPXVEY-HIFRSBDPSA-N 1 3 361.446 0.339 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161481489 1223201563 /nfs/dbraw/zinc/20/15/63/1223201563.db2.gz XZWGOEMPMPVGHG-VEVIJQCQSA-N 1 3 369.462 0.060 20 0 FCADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)C1 ZINC001161489193 1223202048 /nfs/dbraw/zinc/20/20/48/1223202048.db2.gz LGXSJLWMYXHUCR-HNAYVOBHSA-N 1 3 361.490 0.896 20 0 FCADHO [NH3+]C1(C(=O)NCc2ccccc2)CCN(c2ncnc3c2CCNC3)CC1 ZINC001161522151 1223203541 /nfs/dbraw/zinc/20/35/41/1223203541.db2.gz IBRVLZZYTHVLQY-UHFFFAOYSA-N 1 3 366.469 0.736 20 0 FCADHO C[C@@H](NCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001162809970 1223220043 /nfs/dbraw/zinc/22/00/43/1223220043.db2.gz ALLLWVGMNBPAAJ-JFIYKMOQSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@@H](NCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001162809970 1223220047 /nfs/dbraw/zinc/22/00/47/1223220047.db2.gz ALLLWVGMNBPAAJ-JFIYKMOQSA-N 1 3 360.502 0.861 20 0 FCADHO CN(C)C1(CNc2cc(N3CCN(C)C(=O)C3)ncn2)CC[NH+](C)CC1 ZINC001164210364 1223236065 /nfs/dbraw/zinc/23/60/65/1223236065.db2.gz CGAYPCIEMXAUKZ-UHFFFAOYSA-N 1 3 361.494 0.193 20 0 FCADHO CC[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205433071 1223323382 /nfs/dbraw/zinc/32/33/82/1223323382.db2.gz YCJMJRZDSUKPLG-GVDBMIGSSA-N 1 3 364.465 0.925 20 0 FCADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092063 1223515827 /nfs/dbraw/zinc/51/58/27/1223515827.db2.gz IEJBKBKVHQRINU-SZVBFZGTSA-N 1 3 363.502 0.848 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)nnn4C)C2)C1=O ZINC001276567138 1223532388 /nfs/dbraw/zinc/53/23/88/1223532388.db2.gz VYYJXXCPYGAQBK-IBGZPJMESA-N 1 3 356.474 0.954 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)nnn4C)C2)C1=O ZINC001276567138 1223532391 /nfs/dbraw/zinc/53/23/91/1223532391.db2.gz VYYJXXCPYGAQBK-IBGZPJMESA-N 1 3 356.474 0.954 20 0 FCADHO Cn1cc(C(=O)N[C@H]2C[N@H+](C[C@@H]3CCCN(C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208609997 1223561939 /nfs/dbraw/zinc/56/19/39/1223561939.db2.gz XUAQTPNJEKPTAY-BZZMCLGOSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1cc(C(=O)N[C@H]2C[N@@H+](C[C@@H]3CCCN(C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208609997 1223561941 /nfs/dbraw/zinc/56/19/41/1223561941.db2.gz XUAQTPNJEKPTAY-BZZMCLGOSA-N 1 3 361.490 0.724 20 0 FCADHO CO[C@@H]1CN(CCc2ccc(C)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728834 1223840040 /nfs/dbraw/zinc/84/00/40/1223840040.db2.gz VFUGROBLAKWGIA-RTBURBONSA-N 1 3 363.502 0.931 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001214780256 1223941732 /nfs/dbraw/zinc/94/17/32/1223941732.db2.gz RUCAHISYCGMKGG-ZACQAIPSSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001214780256 1223941733 /nfs/dbraw/zinc/94/17/33/1223941733.db2.gz RUCAHISYCGMKGG-ZACQAIPSSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001214847673 1223948032 /nfs/dbraw/zinc/94/80/32/1223948032.db2.gz NKZZDUBBCMYNRC-BZUAXINKSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001214855290 1223948563 /nfs/dbraw/zinc/94/85/63/1223948563.db2.gz BKHGXIRZLBSNRG-YUELXQCFSA-N 1 3 365.478 0.025 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001214855290 1223948566 /nfs/dbraw/zinc/94/85/66/1223948566.db2.gz BKHGXIRZLBSNRG-YUELXQCFSA-N 1 3 365.478 0.025 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214855663 1223948694 /nfs/dbraw/zinc/94/86/94/1223948694.db2.gz KJGCNWFRSBSEKQ-FVQBIDKESA-N 1 3 367.538 0.861 20 0 FCADHO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214863810 1223949208 /nfs/dbraw/zinc/94/92/08/1223949208.db2.gz XKAZJGQZKWBCKK-HLLBOEOZSA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001215003446 1223962899 /nfs/dbraw/zinc/96/28/99/1223962899.db2.gz DGWJTAXSTDUOJT-OWCLPIDISA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCCO2)C1 ZINC001215003446 1223962901 /nfs/dbraw/zinc/96/29/01/1223962901.db2.gz DGWJTAXSTDUOJT-OWCLPIDISA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215057095 1223969005 /nfs/dbraw/zinc/96/90/05/1223969005.db2.gz WNGKYZUBZMTSTR-NVXWUHKLSA-N 1 3 362.518 0.968 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298758 1223991186 /nfs/dbraw/zinc/99/11/86/1223991186.db2.gz GHYDJCAVVRIMPY-ZIAGYGMSSA-N 1 3 367.494 0.143 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518958 1224003900 /nfs/dbraw/zinc/00/39/00/1224003900.db2.gz SAVVNBNKMXOIJU-KFWWJZLASA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215568397 1224006627 /nfs/dbraw/zinc/00/66/27/1224006627.db2.gz OEAFEFJWMUMMDC-BRWVUGGUSA-N 1 3 365.522 0.658 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1)[NH+]1CCCC1 ZINC001215599093 1224008937 /nfs/dbraw/zinc/00/89/37/1224008937.db2.gz QTJCNVSWTOWCHE-JFIYKMOQSA-N 1 3 363.506 0.858 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1NCC(=O)N(C)C ZINC001215606274 1224009311 /nfs/dbraw/zinc/00/93/11/1224009311.db2.gz TYXHKXSHZCDVIW-OQIJWPOYSA-N 1 3 372.513 0.857 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1NCC(=O)N(C)C ZINC001215606274 1224009313 /nfs/dbraw/zinc/00/93/13/1224009313.db2.gz TYXHKXSHZCDVIW-OQIJWPOYSA-N 1 3 372.513 0.857 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001216090152 1224033553 /nfs/dbraw/zinc/03/35/53/1224033553.db2.gz AUIRUNQBMUWXLQ-GDBMZVCRSA-N 1 3 368.522 0.448 20 0 FCADHO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853782 1224078928 /nfs/dbraw/zinc/07/89/28/1224078928.db2.gz LYMJEEHENUCBBX-IXDOHACOSA-N 1 3 370.538 0.694 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000994055376 1250173756 /nfs/dbraw/zinc/17/37/56/1250173756.db2.gz UABKVWXKRNBYJY-FRFSOERESA-N 1 3 359.474 0.505 20 0 FCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848931891 1245387778 /nfs/dbraw/zinc/38/77/78/1245387778.db2.gz IHHRIHQPPWYCAX-NCOADZHNSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848931891 1245387785 /nfs/dbraw/zinc/38/77/85/1245387785.db2.gz IHHRIHQPPWYCAX-NCOADZHNSA-N 1 3 364.490 0.099 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)C[NH+]1CCCCC1 ZINC000911517774 1245504064 /nfs/dbraw/zinc/50/40/64/1245504064.db2.gz MLOXYFVKNIEULA-BMGDILEWSA-N 1 3 358.486 0.966 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516410 1245504363 /nfs/dbraw/zinc/50/43/63/1245504363.db2.gz BTPXMKWMXDJKTI-QZTJIDSGSA-N 1 3 370.453 0.911 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911517258 1245504631 /nfs/dbraw/zinc/50/46/31/1245504631.db2.gz QZIANCLOUSRWMT-DZOHQFGASA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911517258 1245504637 /nfs/dbraw/zinc/50/46/37/1245504637.db2.gz QZIANCLOUSRWMT-DZOHQFGASA-N 1 3 356.470 0.670 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994219583 1250292612 /nfs/dbraw/zinc/29/26/12/1250292612.db2.gz RKQFTHQAIFVFTA-OLMNPRSZSA-N 1 3 364.534 0.879 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553414 1247128853 /nfs/dbraw/zinc/12/88/53/1247128853.db2.gz WWGOLILTOPPVNN-USXIJHARSA-N 1 3 366.506 0.012 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000943620110 1247370893 /nfs/dbraw/zinc/37/08/93/1247370893.db2.gz BQDLMTJZDLKDDI-BZUAXINKSA-N 1 3 366.506 0.010 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327984354 1265467779 /nfs/dbraw/zinc/46/77/79/1265467779.db2.gz KZBYUDFCWOVWQT-ROUUACIJSA-N 1 3 366.506 0.792 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335020 1250383659 /nfs/dbraw/zinc/38/36/59/1250383659.db2.gz FILJIXISAPJXTR-HZPDHXFCSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000994335612 1250385872 /nfs/dbraw/zinc/38/58/72/1250385872.db2.gz JXBQLFINDBJJNZ-HZPDHXFCSA-N 1 3 362.518 0.777 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC000996542864 1251375951 /nfs/dbraw/zinc/37/59/51/1251375951.db2.gz BOQJRBVRYRTUHF-NCOADZHNSA-N 1 3 362.518 0.918 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC000996542864 1251375962 /nfs/dbraw/zinc/37/59/62/1251375962.db2.gz BOQJRBVRYRTUHF-NCOADZHNSA-N 1 3 362.518 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000997034573 1251475758 /nfs/dbraw/zinc/47/57/58/1251475758.db2.gz TZABYCYDMIGPHO-HMDCTGQHSA-N 1 3 359.474 0.931 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000997034573 1251475760 /nfs/dbraw/zinc/47/57/60/1251475760.db2.gz TZABYCYDMIGPHO-HMDCTGQHSA-N 1 3 359.474 0.931 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(F)c1F ZINC001328844213 1265625115 /nfs/dbraw/zinc/62/51/15/1265625115.db2.gz PMDZJOKWTLAIMX-UHFFFAOYSA-N 1 3 370.444 0.575 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@@H]4CCN(C)C4=O)CC3)CC2)CC[N@@H+]1C ZINC001000159453 1252270929 /nfs/dbraw/zinc/27/09/29/1252270929.db2.gz AKNXMBRGAHZGHW-DJIMGWMZSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@@H]4CCN(C)C4=O)CC3)CC2)CC[N@H+]1C ZINC001000159453 1252270938 /nfs/dbraw/zinc/27/09/38/1252270938.db2.gz AKNXMBRGAHZGHW-DJIMGWMZSA-N 1 3 362.518 0.918 20 0 FCADHO O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950182 1252749061 /nfs/dbraw/zinc/74/90/61/1252749061.db2.gz VZLUNLRQBKHQMX-XDNAFOTISA-N 1 3 360.502 0.672 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061675686 1254203540 /nfs/dbraw/zinc/20/35/40/1254203540.db2.gz SOGSRMFBVYZYOW-OWCLPIDISA-N 1 3 368.522 0.401 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061675686 1254203543 /nfs/dbraw/zinc/20/35/43/1254203543.db2.gz SOGSRMFBVYZYOW-OWCLPIDISA-N 1 3 368.522 0.401 20 0 FCADHO COc1cccc(CCCN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078175800 1255289592 /nfs/dbraw/zinc/28/95/92/1255289592.db2.gz MSUMOPRGSOHFOF-QXAKKESOSA-N 1 3 361.486 0.741 20 0 FCADHO COc1cccc(CCCN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078175800 1255289597 /nfs/dbraw/zinc/28/95/97/1255289597.db2.gz MSUMOPRGSOHFOF-QXAKKESOSA-N 1 3 361.486 0.741 20 0 FCADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001078405591 1255409142 /nfs/dbraw/zinc/40/91/42/1255409142.db2.gz SFNVJDYMDKQODD-BPQIPLTHSA-N 1 3 363.506 0.776 20 0 FCADHO Cc1nn(C)cc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001078405591 1255409145 /nfs/dbraw/zinc/40/91/45/1255409145.db2.gz SFNVJDYMDKQODD-BPQIPLTHSA-N 1 3 363.506 0.776 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001330543450 1266056043 /nfs/dbraw/zinc/05/60/43/1266056043.db2.gz ITTBGUCBTXVMAY-QGZVFWFLSA-N 1 3 366.506 0.204 20 0 FCADHO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C)cn1 ZINC001082653488 1256956716 /nfs/dbraw/zinc/95/67/16/1256956716.db2.gz NAUGSZWNMZJQRN-JZMXBONXSA-N 1 3 371.485 0.585 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001082719682 1257010109 /nfs/dbraw/zinc/01/01/09/1257010109.db2.gz CFIJKPTWOJAXRH-HLLBOEOZSA-N 1 3 366.506 0.012 20 0 FCADHO Cn1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084773070 1258313240 /nfs/dbraw/zinc/31/32/40/1258313240.db2.gz BKDNDVZMMMAYOL-CGTJXYLNSA-N 1 3 358.486 0.760 20 0 FCADHO Cn1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084773070 1258313249 /nfs/dbraw/zinc/31/32/49/1258313249.db2.gz BKDNDVZMMMAYOL-CGTJXYLNSA-N 1 3 358.486 0.760 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](C)[NH2+]C)cc2)CC1 ZINC001331415180 1266211716 /nfs/dbraw/zinc/21/17/16/1266211716.db2.gz FXOCPYQNCDBULL-HNNXBMFYSA-N 1 3 361.490 0.881 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666459 1258937266 /nfs/dbraw/zinc/93/72/66/1258937266.db2.gz LJLYBWLNTCCSPJ-JFIYKMOQSA-N 1 3 368.522 0.165 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106668156 1258937999 /nfs/dbraw/zinc/93/79/99/1258937999.db2.gz FTHQSHCYYZMHTP-HZPDHXFCSA-N 1 3 365.522 0.428 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC001107039214 1259023121 /nfs/dbraw/zinc/02/31/21/1259023121.db2.gz NCTKNMHCFXUJKL-BRWVUGGUSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001107042567 1259023983 /nfs/dbraw/zinc/02/39/83/1259023983.db2.gz SEAWZZZDQRTHPL-IXDOHACOSA-N 1 3 368.522 0.258 20 0 FCADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2)N(C)C ZINC001107555203 1259116035 /nfs/dbraw/zinc/11/60/35/1259116035.db2.gz XAQKMTLVEOHUDU-FRQCXROJSA-N 1 3 365.522 0.713 20 0 FCADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2)N(C)C ZINC001107555203 1259116039 /nfs/dbraw/zinc/11/60/39/1259116039.db2.gz XAQKMTLVEOHUDU-FRQCXROJSA-N 1 3 365.522 0.713 20 0 FCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571652 1259181155 /nfs/dbraw/zinc/18/11/55/1259181155.db2.gz VYDGWWLHCQORTP-LESCRADOSA-N 1 3 368.522 0.354 20 0 FCADHO CCCC[C@@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571702 1259181842 /nfs/dbraw/zinc/18/18/42/1259181842.db2.gz YPYKKNVFXDTVOC-ZACQAIPSSA-N 1 3 368.522 0.483 20 0 FCADHO Cc1ccccc1CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643644 1259182871 /nfs/dbraw/zinc/18/28/71/1259182871.db2.gz FEMAJHPOXAKYNC-SJLPKXTDSA-N 1 3 360.502 0.700 20 0 FCADHO Cc1ccccc1CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643644 1259182872 /nfs/dbraw/zinc/18/28/72/1259182872.db2.gz FEMAJHPOXAKYNC-SJLPKXTDSA-N 1 3 360.502 0.700 20 0 FCADHO CCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129078714 1259307571 /nfs/dbraw/zinc/30/75/71/1259307571.db2.gz DLWGMTVELVJDRP-SJORKVTESA-N 1 3 357.462 0.951 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129204806 1259343771 /nfs/dbraw/zinc/34/37/71/1259343771.db2.gz KGSPFKLJXKWXQD-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206127 1259569367 /nfs/dbraw/zinc/56/93/67/1259569367.db2.gz RSBWRKHQISQVDF-GJZGRUSLSA-N 1 3 371.476 0.951 20 0 FCADHO COc1ccc(CN2CC[C@H]([NH2+]C[C@]3(O)CCNC[C@@H]3F)CC2=O)cc1 ZINC001246085011 1259648969 /nfs/dbraw/zinc/64/89/69/1259648969.db2.gz VJJPNVHVMGOWOL-VDZJLULYSA-N 1 3 365.449 0.838 20 0 FCADHO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CN1 ZINC001246191946 1259650323 /nfs/dbraw/zinc/65/03/23/1259650323.db2.gz BMTRBRLKMSYGFK-OALUTQOASA-N 1 3 360.502 0.817 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1=O ZINC001335498708 1259687933 /nfs/dbraw/zinc/68/79/33/1259687933.db2.gz QWPFASLNGDGYOU-IRXDYDNUSA-N 1 3 353.438 0.628 20 0 FCADHO COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920236 1259695004 /nfs/dbraw/zinc/69/50/04/1259695004.db2.gz DHOPMUSNGHSISE-RBUKOAKNSA-N 1 3 372.513 0.830 20 0 FCADHO CN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251035863 1259733941 /nfs/dbraw/zinc/73/39/41/1259733941.db2.gz PXUANYLLEQNHKX-HXUWFJFHSA-N 1 3 362.518 0.217 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2CN([C@@H]3CCC[N@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523101 1259889779 /nfs/dbraw/zinc/88/97/79/1259889779.db2.gz SBRWPDMUQWIVBQ-BRSBDYLESA-N 1 3 361.490 0.866 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2CN([C@@H]3CCC[N@@H+](C)CC3)[C@@H]3CCCO[C@H]23)cn1 ZINC001254523101 1259889790 /nfs/dbraw/zinc/88/97/90/1259889790.db2.gz SBRWPDMUQWIVBQ-BRSBDYLESA-N 1 3 361.490 0.866 20 0 FCADHO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001256030722 1259930584 /nfs/dbraw/zinc/93/05/84/1259930584.db2.gz CRDAIRSJDPUZMA-QZWWFDLISA-N 1 3 362.478 0.904 20 0 FCADHO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)C1 ZINC001256030722 1259930591 /nfs/dbraw/zinc/93/05/91/1259930591.db2.gz CRDAIRSJDPUZMA-QZWWFDLISA-N 1 3 362.478 0.904 20 0 FCADHO C[N@@H+]1CC[C@](O)(CNC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999316 1259937609 /nfs/dbraw/zinc/93/76/09/1259937609.db2.gz DSDZZGWEGDTRAE-ROUUACIJSA-N 1 3 357.495 0.795 20 0 FCADHO C[N@H+]1CC[C@](O)(CNC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001335999316 1259937617 /nfs/dbraw/zinc/93/76/17/1259937617.db2.gz DSDZZGWEGDTRAE-ROUUACIJSA-N 1 3 357.495 0.795 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336273178 1260063524 /nfs/dbraw/zinc/06/35/24/1260063524.db2.gz RTLDAMFRNWRZGA-MRXNPFEDSA-N 1 3 351.495 0.468 20 0 FCADHO O[C@@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750153 1260214184 /nfs/dbraw/zinc/21/41/84/1260214184.db2.gz NIRDOEZVYJTGOB-AZUAARDMSA-N 1 3 364.486 0.770 20 0 FCADHO O[C@@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750153 1260214190 /nfs/dbraw/zinc/21/41/90/1260214190.db2.gz NIRDOEZVYJTGOB-AZUAARDMSA-N 1 3 364.486 0.770 20 0 FCADHO COC[C@@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCCC[NH2+]1 ZINC001332010856 1266315931 /nfs/dbraw/zinc/31/59/31/1266315931.db2.gz FJGAQPIOKRXMMH-GOSISDBHSA-N 1 3 366.506 0.478 20 0 FCADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC[C@H](O)c1ccccn1 ZINC001336794678 1260224809 /nfs/dbraw/zinc/22/48/09/1260224809.db2.gz MCARCDKPUCIMJN-OALUTQOASA-N 1 3 356.470 0.994 20 0 FCADHO CS(=O)(=O)Nc1ccc(OCC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC001336802067 1260226979 /nfs/dbraw/zinc/22/69/79/1260226979.db2.gz ARYAHBMDSAIMFW-HNNXBMFYSA-N 1 3 357.476 0.483 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@@H](C)C1 ZINC001336943573 1260262852 /nfs/dbraw/zinc/26/28/52/1260262852.db2.gz YCYKIWVTFXPBML-IRXDYDNUSA-N 1 3 355.527 0.158 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C2CCCC2)c1 ZINC001262309649 1260299220 /nfs/dbraw/zinc/29/92/20/1260299220.db2.gz HUVRJUJKIJLVGR-UHFFFAOYSA-N 1 3 364.494 0.889 20 0 FCADHO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCN1C1CCCCC1 ZINC001273140511 1260607275 /nfs/dbraw/zinc/60/72/75/1260607275.db2.gz IWVYOMBHUDIKGY-CEXWTWQISA-N 1 3 364.534 0.867 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2CN(Cc3c[nH]nn3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279926676 1260964844 /nfs/dbraw/zinc/96/48/44/1260964844.db2.gz JJBLQSASBJGLRP-XOKHGSTOSA-N 1 3 362.478 0.242 20 0 FCADHO CN1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)[C@@H]2CC3CCN2CC3)CC1 ZINC001280070666 1260989495 /nfs/dbraw/zinc/98/94/95/1260989495.db2.gz WXFJKKWFBYSKFD-OTWHNJEPSA-N 1 3 362.518 0.477 20 0 FCADHO CN1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)[C@@H]2CC3CCN2CC3)CC1 ZINC001280070666 1260989499 /nfs/dbraw/zinc/98/94/99/1260989499.db2.gz WXFJKKWFBYSKFD-OTWHNJEPSA-N 1 3 362.518 0.477 20 0 FCADHO C[NH+]1CCC(N2C[C@@H]3[C@H](C2)OCCN3C(=O)[C@@H]2CC3CCN2CC3)CC1 ZINC001280070666 1260989504 /nfs/dbraw/zinc/98/95/04/1260989504.db2.gz WXFJKKWFBYSKFD-OTWHNJEPSA-N 1 3 362.518 0.477 20 0 FCADHO C[C@@H]1CN(C(=O)C2=NO[C@@H]3CN(CC4CC[NH+](C)CC4)C[C@H]23)C[C@@H](C)O1 ZINC001280125654 1261011278 /nfs/dbraw/zinc/01/12/78/1261011278.db2.gz MTEXEDSZVUXXPJ-TXCZRRACSA-N 1 3 364.490 0.651 20 0 FCADHO CN(C)CCN1Cc2ccnn2CC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280219495 1261038182 /nfs/dbraw/zinc/03/81/82/1261038182.db2.gz TTXOQDHMWLLJRZ-SFHVURJKSA-N 1 3 362.522 0.572 20 0 FCADHO CC[NH+]1CCC(CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)CC1 ZINC001280251559 1261042390 /nfs/dbraw/zinc/04/23/90/1261042390.db2.gz XSFZBYHMJXGTIJ-MANSERQUSA-N 1 3 365.518 0.695 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001281832601 1261218229 /nfs/dbraw/zinc/21/82/29/1261218229.db2.gz GSEDQENGKJSNLS-IAGOWNOFSA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001316597118 1263385296 /nfs/dbraw/zinc/38/52/96/1263385296.db2.gz VBESIDSMTTXLET-NVXWUHKLSA-N 1 3 361.490 0.475 20 0 FCADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(C)(C)C)CC2)CC1 ZINC001321529560 1263984479 /nfs/dbraw/zinc/98/44/79/1263984479.db2.gz HNJJOTRFZUJTFT-UHFFFAOYSA-N 1 3 367.538 0.071 20 0 FCADHO CC(=O)N1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001322188160 1264163398 /nfs/dbraw/zinc/16/33/98/1264163398.db2.gz SGSMKJIBRDIRAJ-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCC[NH+](C)C ZINC001580400986 1278227012 /nfs/dbraw/zinc/22/70/12/1278227012.db2.gz XRLMPGXTNVEPMY-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c2)CC1 ZINC001325405227 1264876804 /nfs/dbraw/zinc/87/68/04/1264876804.db2.gz ILZAPZKJCFQRMM-UHFFFAOYSA-N 1 3 373.501 0.048 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1CC[NH+](C)CC1 ZINC001580407216 1278245086 /nfs/dbraw/zinc/24/50/86/1278245086.db2.gz ISCKVMJRGQZGIO-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001580407216 1278245096 /nfs/dbraw/zinc/24/50/96/1278245096.db2.gz ISCKVMJRGQZGIO-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001326699838 1265153714 /nfs/dbraw/zinc/15/37/14/1265153714.db2.gz DPWWAYSCRBGPJE-ZWKOTPCHSA-N 1 3 360.502 0.919 20 0 FCADHO COC[C@@]1(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)CC[NH2+]C1 ZINC001326792440 1265167847 /nfs/dbraw/zinc/16/78/47/1265167847.db2.gz HTOMOTHKXYIFTB-HXUWFJFHSA-N 1 3 360.502 0.676 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4c(nnn4C)C3)CC2)CC1 ZINC001327126171 1265239131 /nfs/dbraw/zinc/23/91/31/1265239131.db2.gz CNKWBSSIAOOAJY-MRXNPFEDSA-N 1 3 374.533 0.985 20 0 FCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001327523419 1265349988 /nfs/dbraw/zinc/34/99/88/1265349988.db2.gz JQFOIZLDPWQGLK-KRWDZBQOSA-N 1 3 359.474 0.217 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001514949497 1265386336 /nfs/dbraw/zinc/38/63/36/1265386336.db2.gz LXACUZUXABGWIX-OVYGPGRDSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001514949497 1265386349 /nfs/dbraw/zinc/38/63/49/1265386349.db2.gz LXACUZUXABGWIX-OVYGPGRDSA-N 1 3 350.507 0.679 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001333397693 1266592005 /nfs/dbraw/zinc/59/20/05/1266592005.db2.gz MMPMPISWAVRPMK-CVEARBPZSA-N 1 3 366.506 0.252 20 0 FCADHO O=C(NCc1cn(C2CC[NH2+]CC2)nn1)NC[C@H]1NCCc2ccccc21 ZINC001549209092 1267857634 /nfs/dbraw/zinc/85/76/34/1267857634.db2.gz GUTFUUHIYFGWMW-GOSISDBHSA-N 1 3 369.473 0.889 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)n1 ZINC001549213620 1267858262 /nfs/dbraw/zinc/85/82/62/1267858262.db2.gz CXANXFFFWQIQHD-LSDHHAIUSA-N 1 3 356.430 0.586 20 0 FCADHO O[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464267 1267949659 /nfs/dbraw/zinc/94/96/59/1267949659.db2.gz CBWZVLLUTJYJRX-FHWLQOOXSA-N 1 3 350.459 0.115 20 0 FCADHO O[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC001338464267 1267949670 /nfs/dbraw/zinc/94/96/70/1267949670.db2.gz CBWZVLLUTJYJRX-FHWLQOOXSA-N 1 3 350.459 0.115 20 0 FCADHO O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2c(s1)CCNC2 ZINC001549742511 1267984570 /nfs/dbraw/zinc/98/45/70/1267984570.db2.gz VINIZLSVIILYAT-GUYCJALGSA-N 1 3 362.499 0.770 20 0 FCADHO CN1CCN([C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC001549999238 1268040782 /nfs/dbraw/zinc/04/07/82/1268040782.db2.gz CJYWKLKULRRXSI-GOSISDBHSA-N 1 3 364.534 0.870 20 0 FCADHO O=C(NCc1cnn2c1CNCC2)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001550758061 1268164317 /nfs/dbraw/zinc/16/43/17/1268164317.db2.gz SDZPEFPMAJRSMQ-CALCHBBNSA-N 1 3 373.505 0.097 20 0 FCADHO Cc1ccc2nc(CN[C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)cc(=O)n2c1 ZINC001550911583 1268182901 /nfs/dbraw/zinc/18/29/01/1268182901.db2.gz DXIDOIOPPXVKKD-JXFKEZNVSA-N 1 3 369.469 0.739 20 0 FCADHO Cc1ccccc1CNC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550911679 1268184346 /nfs/dbraw/zinc/18/43/46/1268184346.db2.gz FJNROOHKJQCJBS-FXAWDEMLSA-N 1 3 358.486 0.848 20 0 FCADHO Cc1cccn2c(=O)cc(CN[C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)nc12 ZINC001550914738 1268184573 /nfs/dbraw/zinc/18/45/73/1268184573.db2.gz ZEUDBODLCIDIRK-QFBILLFUSA-N 1 3 369.469 0.739 20 0 FCADHO CN1CCN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC001551498075 1268262211 /nfs/dbraw/zinc/26/22/11/1268262211.db2.gz POOIMIXMOHVKCF-UPTPFMHGSA-N 1 3 353.511 0.304 20 0 FCADHO CCN1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001551597796 1268283506 /nfs/dbraw/zinc/28/35/06/1268283506.db2.gz XBWNETZNUAFWBW-RDJZCZTQSA-N 1 3 351.495 0.370 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001552013501 1268352036 /nfs/dbraw/zinc/35/20/36/1268352036.db2.gz SYKMQEDIJRSBJB-BRSBDYLESA-N 1 3 366.506 0.744 20 0 FCADHO Cc1cccc(C[NH+]2CCN(c3nnc(C4=NO[C@H](CO)C4)n3C)CC2)c1 ZINC001339899797 1268364252 /nfs/dbraw/zinc/36/42/52/1268364252.db2.gz BTGNCKHBMGGPRH-INIZCTEOSA-N 1 3 370.457 0.931 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001552200637 1268408072 /nfs/dbraw/zinc/40/80/72/1268408072.db2.gz SOQHUPXBBFZOSA-OXJNMPFZSA-N 1 3 372.469 0.558 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552200644 1268408319 /nfs/dbraw/zinc/40/83/19/1268408319.db2.gz SOQHUPXBBFZOSA-UZLBHIALSA-N 1 3 372.469 0.558 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552250986 1268421411 /nfs/dbraw/zinc/42/14/11/1268421411.db2.gz FCXMHSYSEOOICO-NXHRZFHOSA-N 1 3 358.486 0.910 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552250986 1268421418 /nfs/dbraw/zinc/42/14/18/1268421418.db2.gz FCXMHSYSEOOICO-NXHRZFHOSA-N 1 3 358.486 0.910 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)C[C@@H](C)O1 ZINC001552283478 1268432246 /nfs/dbraw/zinc/43/22/46/1268432246.db2.gz STLBQZHIQPIIEJ-JFIYKMOQSA-N 1 3 353.507 0.960 20 0 FCADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC001552847450 1268559523 /nfs/dbraw/zinc/55/95/23/1268559523.db2.gz UUGIBCRUIYYTKZ-OLZOCXBDSA-N 1 3 363.487 0.303 20 0 FCADHO CN1CC[C@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368420 1268638273 /nfs/dbraw/zinc/63/82/73/1268638273.db2.gz GSMLDZOJIHQKEZ-PXNSSMCTSA-N 1 3 364.534 0.679 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507176 1268661569 /nfs/dbraw/zinc/66/15/69/1268661569.db2.gz JWZQVTDHUSLBPU-HZPDHXFCSA-N 1 3 352.479 0.389 20 0 FCADHO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553525239 1268663915 /nfs/dbraw/zinc/66/39/15/1268663915.db2.gz GXGHPHQTUMCWEW-HUUCEWRRSA-N 1 3 351.495 0.357 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@]23CC[C@@H]2CC[NH2+]3)CC1 ZINC001553541183 1268666259 /nfs/dbraw/zinc/66/62/59/1268666259.db2.gz KAKPDKFTKHIUQL-CRAIPNDOSA-N 1 3 363.506 0.644 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CCc3[nH]cnc3C23CC[NH2+]CC3)c1 ZINC001340866503 1268686244 /nfs/dbraw/zinc/68/62/44/1268686244.db2.gz HFWWZYQSTZHCQY-MRXNPFEDSA-N 1 3 369.469 0.952 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)N2CCc3nc[nH]c3C23CC[NH2+]CC3)c1 ZINC001340866503 1268686248 /nfs/dbraw/zinc/68/62/48/1268686248.db2.gz HFWWZYQSTZHCQY-MRXNPFEDSA-N 1 3 369.469 0.952 20 0 FCADHO COc1cccc2c1CC[C@]2([NH3+])C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC001341716973 1269167065 /nfs/dbraw/zinc/16/70/65/1269167065.db2.gz LZAHXGLFORYAIF-MGPUTAFESA-N 1 3 359.470 0.976 20 0 FCADHO COc1cccc2c1CC[C@]2(N)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001341716973 1269167069 /nfs/dbraw/zinc/16/70/69/1269167069.db2.gz LZAHXGLFORYAIF-MGPUTAFESA-N 1 3 359.470 0.976 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341731993 1269175119 /nfs/dbraw/zinc/17/51/19/1269175119.db2.gz HSSBMFPUCCLNOO-OAQYLSRUSA-N 1 3 374.529 0.945 20 0 FCADHO CN1CCN(c2ncc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)CC1 ZINC001560328473 1269201330 /nfs/dbraw/zinc/20/13/30/1269201330.db2.gz VRUNHFPNXKJAEQ-IBGZPJMESA-N 1 3 374.533 0.961 20 0 FCADHO CN1CCN(c2ncc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)cn2)CC1 ZINC001560328473 1269201337 /nfs/dbraw/zinc/20/13/37/1269201337.db2.gz VRUNHFPNXKJAEQ-IBGZPJMESA-N 1 3 374.533 0.961 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)CC1 ZINC001566048412 1269580586 /nfs/dbraw/zinc/58/05/86/1269580586.db2.gz MWEGGYLBJVJVNQ-MSOLQXFVSA-N 1 3 362.518 0.635 20 0 FCADHO CN1CCNC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001343409171 1269901037 /nfs/dbraw/zinc/90/10/37/1269901037.db2.gz MHCBRAMWDYEXIL-SFHVURJKSA-N 1 3 373.501 0.269 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O)N(C)C ZINC001343742602 1269998064 /nfs/dbraw/zinc/99/80/64/1269998064.db2.gz XGDWGDXZCAXIPD-PMPSAXMXSA-N 1 3 368.522 0.279 20 0 FCADHO C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574606407 1271413334 /nfs/dbraw/zinc/41/33/34/1271413334.db2.gz HQETUSCUTJNGOU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574606407 1271413336 /nfs/dbraw/zinc/41/33/36/1271413336.db2.gz HQETUSCUTJNGOU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896671 1271659043 /nfs/dbraw/zinc/65/90/43/1271659043.db2.gz GGRVIWKBMQIMQY-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896671 1271659046 /nfs/dbraw/zinc/65/90/46/1271659046.db2.gz GGRVIWKBMQIMQY-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896671 1271659048 /nfs/dbraw/zinc/65/90/48/1271659048.db2.gz GGRVIWKBMQIMQY-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896671 1271659052 /nfs/dbraw/zinc/65/90/52/1271659052.db2.gz GGRVIWKBMQIMQY-KBPBESRZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575383278 1272026816 /nfs/dbraw/zinc/02/68/16/1272026816.db2.gz DZKTXJSWGLGRGD-NEPJUHHUSA-N 1 3 363.441 0.940 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNCc2cn[nH]n2)CC1 ZINC001575421290 1272084270 /nfs/dbraw/zinc/08/42/70/1272084270.db2.gz SMJCWOILZIRVQQ-OAHLLOKOSA-N 1 3 350.467 0.121 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNCc2cn[nH]n2)CC1 ZINC001575421290 1272084281 /nfs/dbraw/zinc/08/42/81/1272084281.db2.gz SMJCWOILZIRVQQ-OAHLLOKOSA-N 1 3 350.467 0.121 20 0 FCADHO C[C@H](CN(C)C(=O)c1cc([C@H]2CCCN2C)[nH]n1)[NH2+]CCc1c[nH]nn1 ZINC001575556838 1272196721 /nfs/dbraw/zinc/19/67/21/1272196721.db2.gz USPYKXAIOAFJLS-MLGOLLRUSA-N 1 3 360.466 0.587 20 0 FCADHO C[C@H](NCc1cn[nH]n1)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695978 1272313495 /nfs/dbraw/zinc/31/34/95/1272313495.db2.gz KQLVFXBKMNEDNL-YOEHRIQHSA-N 1 3 364.494 0.775 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)NCc3c[nH]nn3)C2)CC1 ZINC001575701682 1272321294 /nfs/dbraw/zinc/32/12/94/1272321294.db2.gz FQOCJGWGFXCTKR-PBHICJAKSA-N 1 3 364.494 0.631 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485433 1273333637 /nfs/dbraw/zinc/33/36/37/1273333637.db2.gz LTDOOSQQYJMWCD-HOCLYGCPSA-N 1 3 350.467 0.244 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485433 1273333651 /nfs/dbraw/zinc/33/36/51/1273333651.db2.gz LTDOOSQQYJMWCD-HOCLYGCPSA-N 1 3 350.467 0.244 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH3+])C2)n1CCN1CCC[C@@H](C)C1 ZINC001576709928 1273579205 /nfs/dbraw/zinc/57/92/05/1273579205.db2.gz WQBVJOAGWMLDKI-HUUCEWRRSA-N 1 3 363.510 0.686 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2CCCC[C@@H]2CNCc2cn[nH]n2)cn1 ZINC001576749408 1273621045 /nfs/dbraw/zinc/62/10/45/1273621045.db2.gz DFYLMPQMRHUSHW-MRXNPFEDSA-N 1 3 360.466 0.347 20 0 FCADHO CN1CCC[C@@H]1c1cc(C(=O)N2CCC([NH2+]CCc3c[nH]nn3)CC2)n[nH]1 ZINC001576911623 1273925788 /nfs/dbraw/zinc/92/57/88/1273925788.db2.gz YCABXHLZMLYBAB-QGZVFWFLSA-N 1 3 372.477 0.731 20 0 FCADHO CO[C@@H]1CN(CCc2c[nH]nn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001577040470 1274103408 /nfs/dbraw/zinc/10/34/08/1274103408.db2.gz OESGXPPLFOUNRK-HZPDHXFCSA-N 1 3 350.467 0.039 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)NC[C@@]2(C)C[NH2+]CCO2)CC1 ZINC001577230283 1274265661 /nfs/dbraw/zinc/26/56/61/1274265661.db2.gz FMEFKZZCBNGZDY-QGZVFWFLSA-N 1 3 354.495 0.651 20 0 FCADHO CCCN(C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCN(C)C1 ZINC001577488609 1274445767 /nfs/dbraw/zinc/44/57/67/1274445767.db2.gz CBZJHBLHTXDDOD-GJZGRUSLSA-N 1 3 352.479 0.797 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673909 1274707090 /nfs/dbraw/zinc/70/70/90/1274707090.db2.gz ZXVDOKPVFCTJJO-XJKSGUPXSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673909 1274707098 /nfs/dbraw/zinc/70/70/98/1274707098.db2.gz ZXVDOKPVFCTJJO-XJKSGUPXSA-N 1 3 372.477 0.783 20 0 FCADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CC[NH3+])CC1 ZINC001577685358 1274739334 /nfs/dbraw/zinc/73/93/34/1274739334.db2.gz WXOKPBGDUJDATK-UHFFFAOYSA-N 1 3 351.499 0.351 20 0 FCADHO CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577759514 1274841427 /nfs/dbraw/zinc/84/14/27/1274841427.db2.gz GZBAQKLTONMWRY-HZSPNIEDSA-N 1 3 351.499 0.682 20 0 FCADHO CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950139 1275173504 /nfs/dbraw/zinc/17/35/04/1275173504.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950139 1275173512 /nfs/dbraw/zinc/17/35/12/1275173512.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950139 1275173517 /nfs/dbraw/zinc/17/35/17/1275173517.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950139 1275173521 /nfs/dbraw/zinc/17/35/21/1275173521.db2.gz ZBWUOXRXMMSKGP-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001578134946 1275433702 /nfs/dbraw/zinc/43/37/02/1275433702.db2.gz HJWLOZWAWCJTFO-OAHLLOKOSA-N 1 3 365.526 0.378 20 0 FCADHO CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1([NH3+])COC1 ZINC001578312520 1275650854 /nfs/dbraw/zinc/65/08/54/1275650854.db2.gz XIQHMUWOIYYQCJ-UHFFFAOYSA-N 1 3 364.494 0.117 20 0 FCADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001578418262 1275787948 /nfs/dbraw/zinc/78/79/48/1275787948.db2.gz BWIDVDFRTIHJDC-INIZCTEOSA-N 1 3 359.474 0.333 20 0 FCADHO CN(C)CCSc1nc(CC(=O)NC[C@H]2C[NH2+]CCCO2)cs1 ZINC001578418804 1275787999 /nfs/dbraw/zinc/78/79/99/1275787999.db2.gz GHHRBIQYNPCYND-CYBMUJFWSA-N 1 3 358.533 0.834 20 0 FCADHO C[NH2+][C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(CC2CC2)CC1 ZINC001578577692 1276011123 /nfs/dbraw/zinc/01/11/23/1276011123.db2.gz YVVSYMAZIHAILA-AWEZNQCLSA-N 1 3 356.478 0.875 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578973804 1276520830 /nfs/dbraw/zinc/52/08/30/1276520830.db2.gz BWAVXVNSCCIJTL-HNNXBMFYSA-N 1 3 357.462 0.851 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578973804 1276520833 /nfs/dbraw/zinc/52/08/33/1276520833.db2.gz BWAVXVNSCCIJTL-HNNXBMFYSA-N 1 3 357.462 0.851 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578974580 1276522125 /nfs/dbraw/zinc/52/21/25/1276522125.db2.gz PLZFYRILOSRQOX-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578974580 1276522129 /nfs/dbraw/zinc/52/21/29/1276522129.db2.gz PLZFYRILOSRQOX-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2csc(-c3nnn[n-]3)c2)C[C@H]1C[NH+](C)C ZINC001578991598 1276565804 /nfs/dbraw/zinc/56/58/04/1276565804.db2.gz BSKIPWBNWDIFEN-CHWSQXEVSA-N 1 3 363.491 0.740 20 0 FCADHO COCCN(C)CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCC(F)(F)C1 ZINC001579020626 1276598884 /nfs/dbraw/zinc/59/88/84/1276598884.db2.gz GUUBTXJXWYLFLW-BETUJISGSA-N 1 3 358.437 0.906 20 0 FCADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160580 1287267628 /nfs/dbraw/zinc/26/76/28/1287267628.db2.gz PVZXKKNMCPRWEY-KJWHEZOQSA-N 1 3 360.462 0.381 20 0 FCADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(=O)Nc1ncccn1 ZINC001713160580 1287267634 /nfs/dbraw/zinc/26/76/34/1287267634.db2.gz PVZXKKNMCPRWEY-KJWHEZOQSA-N 1 3 360.462 0.381 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327001 1277151580 /nfs/dbraw/zinc/15/15/80/1277151580.db2.gz NWHUBEQEGKDTIC-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327001 1277151584 /nfs/dbraw/zinc/15/15/84/1277151584.db2.gz NWHUBEQEGKDTIC-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327001 1277151587 /nfs/dbraw/zinc/15/15/87/1277151587.db2.gz NWHUBEQEGKDTIC-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327001 1277151588 /nfs/dbraw/zinc/15/15/88/1277151588.db2.gz NWHUBEQEGKDTIC-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CCC2)C1 ZINC001579331885 1277162812 /nfs/dbraw/zinc/16/28/12/1277162812.db2.gz IIAISSVLUMRNNY-INIZCTEOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CCC2)C1 ZINC001579331885 1277162815 /nfs/dbraw/zinc/16/28/15/1277162815.db2.gz IIAISSVLUMRNNY-INIZCTEOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CCC2)C1 ZINC001579331885 1277162816 /nfs/dbraw/zinc/16/28/16/1277162816.db2.gz IIAISSVLUMRNNY-INIZCTEOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CCC2)C1 ZINC001579331885 1277162824 /nfs/dbraw/zinc/16/28/24/1277162824.db2.gz IIAISSVLUMRNNY-INIZCTEOSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579333155 1277165936 /nfs/dbraw/zinc/16/59/36/1277165936.db2.gz OJCUQGUCTIQWJR-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579333155 1277165937 /nfs/dbraw/zinc/16/59/37/1277165937.db2.gz OJCUQGUCTIQWJR-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334435 1277170625 /nfs/dbraw/zinc/17/06/25/1277170625.db2.gz FCIMPIQZVAAFDV-BAABZTOOSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334435 1277170628 /nfs/dbraw/zinc/17/06/28/1277170628.db2.gz FCIMPIQZVAAFDV-BAABZTOOSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341390 1277189108 /nfs/dbraw/zinc/18/91/08/1277189108.db2.gz KARPDAZHJHECLY-GDBMZVCRSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341390 1277189109 /nfs/dbraw/zinc/18/91/09/1277189109.db2.gz KARPDAZHJHECLY-GDBMZVCRSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341390 1277189111 /nfs/dbraw/zinc/18/91/11/1277189111.db2.gz KARPDAZHJHECLY-GDBMZVCRSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341390 1277189112 /nfs/dbraw/zinc/18/91/12/1277189112.db2.gz KARPDAZHJHECLY-GDBMZVCRSA-N 1 3 369.473 0.899 20 0 FCADHO Cc1cccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CC[NH3+])n1 ZINC001579749308 1277858379 /nfs/dbraw/zinc/85/83/79/1277858379.db2.gz QRLAUSBFXMAVNS-UHFFFAOYSA-N 1 3 371.489 0.908 20 0 FCADHO Cc1nnc(N2CC[NH2+][C@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001579910968 1277958708 /nfs/dbraw/zinc/95/87/08/1277958708.db2.gz YGPIQSUJJVSNSA-GDBMZVCRSA-N 1 3 363.510 0.327 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580027567 1277994207 /nfs/dbraw/zinc/99/42/07/1277994207.db2.gz DSBOFLZOXPVDNM-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580027567 1277994212 /nfs/dbraw/zinc/99/42/12/1277994212.db2.gz DSBOFLZOXPVDNM-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580027567 1277994218 /nfs/dbraw/zinc/99/42/18/1277994218.db2.gz DSBOFLZOXPVDNM-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580027567 1277994223 /nfs/dbraw/zinc/99/42/23/1277994223.db2.gz DSBOFLZOXPVDNM-JSGCOSHPSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1-c1nnn[n-]1 ZINC001580027528 1277994485 /nfs/dbraw/zinc/99/44/85/1277994485.db2.gz CUXJLDSCIBZDHA-LBPRGKRZSA-N 1 3 361.450 0.421 20 0 FCADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1-c1nn[n-]n1 ZINC001580027528 1277994489 /nfs/dbraw/zinc/99/44/89/1277994489.db2.gz CUXJLDSCIBZDHA-LBPRGKRZSA-N 1 3 361.450 0.421 20 0 FCADHO C[C@H](CNCC(=O)N(C)c1nccs1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714391836 1287321153 /nfs/dbraw/zinc/32/11/53/1287321153.db2.gz WWQVXGFYSIKWCN-MGPQQGTHSA-N 1 3 367.519 0.788 20 0 FCADHO C[C@H](CNCC(=O)N(C)c1nccs1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714391836 1287321154 /nfs/dbraw/zinc/32/11/54/1287321154.db2.gz WWQVXGFYSIKWCN-MGPQQGTHSA-N 1 3 367.519 0.788 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580279117 1278076586 /nfs/dbraw/zinc/07/65/86/1278076586.db2.gz MIONRKRXMLACTQ-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580279117 1278076594 /nfs/dbraw/zinc/07/65/94/1278076594.db2.gz MIONRKRXMLACTQ-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1cc(N[C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994875 1279203304 /nfs/dbraw/zinc/20/33/04/1279203304.db2.gz RZFYOMLDQKUZLI-GXTWGEPZSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(N[C@H](C)CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994875 1279203311 /nfs/dbraw/zinc/20/33/11/1279203311.db2.gz RZFYOMLDQKUZLI-GXTWGEPZSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994877 1279203715 /nfs/dbraw/zinc/20/37/15/1279203715.db2.gz RZFYOMLDQKUZLI-OCCSQVGLSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(N[C@@H](C)CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994877 1279203724 /nfs/dbraw/zinc/20/37/24/1279203724.db2.gz RZFYOMLDQKUZLI-OCCSQVGLSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(NC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011965 1279237955 /nfs/dbraw/zinc/23/79/55/1279237955.db2.gz PYLCYERDIQSPNL-XJKSGUPXSA-N 1 3 374.493 0.837 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001683526580 1284017982 /nfs/dbraw/zinc/01/79/82/1284017982.db2.gz FFRVWZXTRPQTGG-VYDXJSESSA-N 1 3 370.538 0.238 20 0 FCADHO C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591012929 1284074019 /nfs/dbraw/zinc/07/40/19/1284074019.db2.gz FKDKFVCKFKLBQA-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591012929 1284074024 /nfs/dbraw/zinc/07/40/24/1284074024.db2.gz FKDKFVCKFKLBQA-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071137 1284130828 /nfs/dbraw/zinc/13/08/28/1284130828.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071137 1284130831 /nfs/dbraw/zinc/13/08/31/1284130831.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071137 1284130833 /nfs/dbraw/zinc/13/08/33/1284130833.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071137 1284130835 /nfs/dbraw/zinc/13/08/35/1284130835.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071137 1284130838 /nfs/dbraw/zinc/13/08/38/1284130838.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071137 1284130840 /nfs/dbraw/zinc/13/08/40/1284130840.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071137 1284130845 /nfs/dbraw/zinc/13/08/45/1284130845.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071137 1284130848 /nfs/dbraw/zinc/13/08/48/1284130848.db2.gz ODCVAVNPXGYBCD-HNNXBMFYSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001591175914 1284267841 /nfs/dbraw/zinc/26/78/41/1284267841.db2.gz ZIVOIGMFAZXURN-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001591175914 1284267851 /nfs/dbraw/zinc/26/78/51/1284267851.db2.gz ZIVOIGMFAZXURN-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001591176959 1284273498 /nfs/dbraw/zinc/27/34/98/1284273498.db2.gz OIVCOCGIJJVZNO-OAHLLOKOSA-N 1 3 360.462 0.928 20 0 FCADHO C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001591176959 1284273507 /nfs/dbraw/zinc/27/35/07/1284273507.db2.gz OIVCOCGIJJVZNO-OAHLLOKOSA-N 1 3 360.462 0.928 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001702419205 1285661251 /nfs/dbraw/zinc/66/12/51/1285661251.db2.gz DMTYQFAHZAXNBG-KZNAEPCWSA-N 1 3 362.518 0.729 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592748215 1285669739 /nfs/dbraw/zinc/66/97/39/1285669739.db2.gz KSCFYRRBPVILEC-ZACQAIPSSA-N 1 3 358.446 0.728 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592748215 1285669743 /nfs/dbraw/zinc/66/97/43/1285669743.db2.gz KSCFYRRBPVILEC-ZACQAIPSSA-N 1 3 358.446 0.728 20 0 FCADHO O=C(NC/C=C\C[NH2+]Cc1ccccc1-c1nnn[n-]1)C12CC[NH+](CC1)C2 ZINC001593047164 1285938263 /nfs/dbraw/zinc/93/82/63/1285938263.db2.gz BPMIBFBKQKESQU-ARJAWSKDSA-N 1 3 367.457 0.725 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001735883012 1288987539 /nfs/dbraw/zinc/98/75/39/1288987539.db2.gz KIFZHITVQIJHNF-WCXIOVBPSA-N 1 3 370.538 0.501 20 0 FCADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001692083006 1289388731 /nfs/dbraw/zinc/38/87/31/1289388731.db2.gz LJTFBPCDGBQWCM-SJORKVTESA-N 1 3 365.522 0.524 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N2CCO[C@@H](C)C2)C1 ZINC001692084214 1289391046 /nfs/dbraw/zinc/39/10/46/1289391046.db2.gz YFSFWJIEJVJESF-IKGGRYGDSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCOCCOC ZINC001692182204 1289419551 /nfs/dbraw/zinc/41/95/51/1289419551.db2.gz AGLWKWGURXTOGS-FGTMMUONSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699403679 1289553009 /nfs/dbraw/zinc/55/30/09/1289553009.db2.gz ICQVCIURGSHEIE-YNEHKIRRSA-N 1 3 355.483 0.045 20 0 FCADHO C[C@@H](CNCC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699403679 1289553014 /nfs/dbraw/zinc/55/30/14/1289553014.db2.gz ICQVCIURGSHEIE-YNEHKIRRSA-N 1 3 355.483 0.045 20 0 FCADHO CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001614036300 1289733910 /nfs/dbraw/zinc/73/39/10/1289733910.db2.gz IAVQPIXSDYYCBP-CVEARBPZSA-N 1 3 350.511 0.949 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CCC1 ZINC001702145975 1289751739 /nfs/dbraw/zinc/75/17/39/1289751739.db2.gz FNMKEBGSBGJYGC-DOTOQJQBSA-N 1 3 362.518 0.872 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001702313050 1290015545 /nfs/dbraw/zinc/01/55/45/1290015545.db2.gz KFIWZHWJMJCZGI-HZPDHXFCSA-N 1 3 366.506 0.155 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001702362231 1290131622 /nfs/dbraw/zinc/13/16/22/1290131622.db2.gz JYSBBGUOPJHWKH-PMPSAXMXSA-N 1 3 368.522 0.279 20 0 FCADHO C[C@@H](O)[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001653481984 1291347068 /nfs/dbraw/zinc/34/70/68/1291347068.db2.gz BUMJWSOLABFZBN-VQIMIIECSA-N 1 3 363.502 0.688 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001656843485 1291568335 /nfs/dbraw/zinc/56/83/35/1291568335.db2.gz UBAUBDBCQZXSMJ-ZACQAIPSSA-N 1 3 352.523 0.975 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001656843485 1291568339 /nfs/dbraw/zinc/56/83/39/1291568339.db2.gz UBAUBDBCQZXSMJ-ZACQAIPSSA-N 1 3 352.523 0.975 20 0 FCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CCC1 ZINC001688984842 1294559176 /nfs/dbraw/zinc/55/91/76/1294559176.db2.gz JNNJOAOATRUYGF-JKSUJKDBSA-N 1 3 350.507 0.871 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001689064902 1294588342 /nfs/dbraw/zinc/58/83/42/1294588342.db2.gz CLFAKMGOCCYWCS-BRWVUGGUSA-N 1 3 368.522 0.401 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](OCC)C1 ZINC001689065440 1294588590 /nfs/dbraw/zinc/58/85/90/1294588590.db2.gz LRINNWRUYAZILX-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001689101731 1294620311 /nfs/dbraw/zinc/62/03/11/1294620311.db2.gz PAKLAXPFPBYRIG-FMKPAKJESA-N 1 3 364.494 0.149 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336470 1294760107 /nfs/dbraw/zinc/76/01/07/1294760107.db2.gz PPPJHVIPKYUBIM-UXLLHSPISA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336470 1294760110 /nfs/dbraw/zinc/76/01/10/1294760110.db2.gz PPPJHVIPKYUBIM-UXLLHSPISA-N 1 3 366.506 0.060 20 0 FCADHO COc1coc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151630 1294860437 /nfs/dbraw/zinc/86/04/37/1294860437.db2.gz PLYRLCPMSYYRNM-WQVCFCJDSA-N 1 3 363.458 0.973 20 0 FCADHO COc1coc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151630 1294860440 /nfs/dbraw/zinc/86/04/40/1294860440.db2.gz PLYRLCPMSYYRNM-WQVCFCJDSA-N 1 3 363.458 0.973 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001690469787 1294867157 /nfs/dbraw/zinc/86/71/57/1294867157.db2.gz BSEATOLLYCMNDU-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001690469787 1294867167 /nfs/dbraw/zinc/86/71/67/1294867167.db2.gz BSEATOLLYCMNDU-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CNC(=O)CN1CCCC12CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164691647 719758238 /nfs/dbraw/zinc/75/82/38/719758238.db2.gz PNODHBBNJNJKMA-UHFFFAOYSA-N 1 3 358.490 0.653 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101365963 844162243 /nfs/dbraw/zinc/16/22/43/844162243.db2.gz SYTQTDVQXKYFQO-APWZRJJASA-N 1 3 353.507 0.508 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101365963 844162247 /nfs/dbraw/zinc/16/22/47/844162247.db2.gz SYTQTDVQXKYFQO-APWZRJJASA-N 1 3 353.507 0.508 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101400484 844175339 /nfs/dbraw/zinc/17/53/39/844175339.db2.gz YHAVZTQDVULEII-QAPCUYQASA-N 1 3 351.495 0.134 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101400484 844175346 /nfs/dbraw/zinc/17/53/46/844175346.db2.gz YHAVZTQDVULEII-QAPCUYQASA-N 1 3 351.495 0.134 20 0 FCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077280903 838872853 /nfs/dbraw/zinc/87/28/53/838872853.db2.gz PHCHTEPWDKYVSL-KZNAEPCWSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077280903 838872857 /nfs/dbraw/zinc/87/28/57/838872857.db2.gz PHCHTEPWDKYVSL-KZNAEPCWSA-N 1 3 353.507 0.695 20 0 FCADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299659 838886608 /nfs/dbraw/zinc/88/66/08/838886608.db2.gz MEYDPACCOJSOKF-BHUNQDJPSA-N 1 3 351.491 0.591 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077571946 839049151 /nfs/dbraw/zinc/04/91/51/839049151.db2.gz ZSBYTMMNCOLTBH-DZJNRPSUSA-N 1 3 353.507 0.695 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC[N@H+]1C ZINC001077571946 839049156 /nfs/dbraw/zinc/04/91/56/839049156.db2.gz ZSBYTMMNCOLTBH-DZJNRPSUSA-N 1 3 353.507 0.695 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001077779404 839153518 /nfs/dbraw/zinc/15/35/18/839153518.db2.gz LPYLMYXNHNZUSF-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078010901 839291097 /nfs/dbraw/zinc/29/10/97/839291097.db2.gz QNAZVANURSOSCZ-IAGOWNOFSA-N 1 3 351.491 0.450 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079724891 839581187 /nfs/dbraw/zinc/58/11/87/839581187.db2.gz LCFAQOIRPBHSBH-QBPKDAKJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079724891 839581196 /nfs/dbraw/zinc/58/11/96/839581196.db2.gz LCFAQOIRPBHSBH-QBPKDAKJSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276180 844456421 /nfs/dbraw/zinc/45/64/21/844456421.db2.gz HHZXECIXRQADGU-LTIDMASMSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276180 844456428 /nfs/dbraw/zinc/45/64/28/844456428.db2.gz HHZXECIXRQADGU-LTIDMASMSA-N 1 3 352.523 0.925 20 0 FCADHO CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001081959833 840124154 /nfs/dbraw/zinc/12/41/54/840124154.db2.gz ZSDQBWIPAUXSGY-CBYDULDESA-N 1 3 351.491 0.711 20 0 FCADHO CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001081959833 840124158 /nfs/dbraw/zinc/12/41/58/840124158.db2.gz ZSDQBWIPAUXSGY-CBYDULDESA-N 1 3 351.491 0.711 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082699510 840528514 /nfs/dbraw/zinc/52/85/14/840528514.db2.gz BOWQGJMUFJZHGQ-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082699510 840528524 /nfs/dbraw/zinc/52/85/24/840528524.db2.gz BOWQGJMUFJZHGQ-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082705672 840531582 /nfs/dbraw/zinc/53/15/82/840531582.db2.gz SQKZWENUZLJFTO-LTIDMASMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082705672 840531589 /nfs/dbraw/zinc/53/15/89/840531589.db2.gz SQKZWENUZLJFTO-LTIDMASMSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001082943698 840616936 /nfs/dbraw/zinc/61/69/36/840616936.db2.gz XUDMOGQXEJHQPC-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578015 844571681 /nfs/dbraw/zinc/57/16/81/844571681.db2.gz HPPHEJAENVGBFT-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO CCN(C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1)C1CC1 ZINC001102578015 844571691 /nfs/dbraw/zinc/57/16/91/844571691.db2.gz HPPHEJAENVGBFT-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 ZINC001083284155 840868223 /nfs/dbraw/zinc/86/82/23/840868223.db2.gz SYBTVUHNWIHAAQ-OKZBNKHCSA-N 1 3 351.491 0.811 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001083832924 841477312 /nfs/dbraw/zinc/47/73/12/841477312.db2.gz AOMIUOHHPSAAEZ-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087828201 842441545 /nfs/dbraw/zinc/44/15/45/842441545.db2.gz DJYOAXIZLWCOEF-SOUVJXGZSA-N 1 3 350.463 0.056 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087828201 842441554 /nfs/dbraw/zinc/44/15/54/842441554.db2.gz DJYOAXIZLWCOEF-SOUVJXGZSA-N 1 3 350.463 0.056 20 0 FCADHO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3CN(C)C)C[C@@H]2C1 ZINC001087982372 842490240 /nfs/dbraw/zinc/49/02/40/842490240.db2.gz CUEQLNLLNLYTKQ-HIFRSBDPSA-N 1 3 364.515 0.950 20 0 FCADHO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3CN(C)C)C[C@@H]2C1 ZINC001087982372 842490245 /nfs/dbraw/zinc/49/02/45/842490245.db2.gz CUEQLNLLNLYTKQ-HIFRSBDPSA-N 1 3 364.515 0.950 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001088981202 842734344 /nfs/dbraw/zinc/73/43/44/842734344.db2.gz HOTFYHJRPIPHTI-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001088981202 842734348 /nfs/dbraw/zinc/73/43/48/842734348.db2.gz HOTFYHJRPIPHTI-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@]12CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CCCF)C2 ZINC001091868407 843116702 /nfs/dbraw/zinc/11/67/02/843116702.db2.gz PVADTEZPFNQTJC-IXUXSNFZSA-N 1 3 351.466 0.990 20 0 FCADHO C[C@]12CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]1C[N@@H+](CCCF)C2 ZINC001091868407 843116711 /nfs/dbraw/zinc/11/67/11/843116711.db2.gz PVADTEZPFNQTJC-IXUXSNFZSA-N 1 3 351.466 0.990 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194210 843403837 /nfs/dbraw/zinc/40/38/37/843403837.db2.gz XOVQRUCJSXOKPB-IXDOHACOSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194210 843403839 /nfs/dbraw/zinc/40/38/39/843403839.db2.gz XOVQRUCJSXOKPB-IXDOHACOSA-N 1 3 350.507 0.635 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001097216143 843854144 /nfs/dbraw/zinc/85/41/44/843854144.db2.gz SBPFGLTVEPBBMY-BDXSIMOUSA-N 1 3 351.491 0.734 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001097216143 843854161 /nfs/dbraw/zinc/85/41/61/843854161.db2.gz SBPFGLTVEPBBMY-BDXSIMOUSA-N 1 3 351.491 0.734 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099030869 843956914 /nfs/dbraw/zinc/95/69/14/843956914.db2.gz HDGYPJMJOHBCLW-VCBZYWHSSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099030869 843956920 /nfs/dbraw/zinc/95/69/20/843956920.db2.gz HDGYPJMJOHBCLW-VCBZYWHSSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOCCO)CC[N@@H+]1C ZINC001099080175 843960586 /nfs/dbraw/zinc/96/05/86/843960586.db2.gz NJXBWJQKRDLESF-IXDOHACOSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOCCO)CC[N@H+]1C ZINC001099080175 843960591 /nfs/dbraw/zinc/96/05/91/843960591.db2.gz NJXBWJQKRDLESF-IXDOHACOSA-N 1 3 355.523 0.942 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374998 844744594 /nfs/dbraw/zinc/74/45/94/844744594.db2.gz UQEBFCUOJFOQBN-HZPDHXFCSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375065 844745448 /nfs/dbraw/zinc/74/54/48/844745448.db2.gz XNDQPXCUHDGSBJ-HZPDHXFCSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435908 844757626 /nfs/dbraw/zinc/75/76/26/844757626.db2.gz DDDMRORQEFGTQH-GVDBMIGSSA-N 1 3 352.523 0.929 20 0 FCADHO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435908 844757628 /nfs/dbraw/zinc/75/76/28/844757628.db2.gz DDDMRORQEFGTQH-GVDBMIGSSA-N 1 3 352.523 0.929 20 0 FCADHO COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438517 844759501 /nfs/dbraw/zinc/75/95/01/844759501.db2.gz NQROJWZIVCKYRW-BRWVUGGUSA-N 1 3 355.523 0.800 20 0 FCADHO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438517 844759510 /nfs/dbraw/zinc/75/95/10/844759510.db2.gz NQROJWZIVCKYRW-BRWVUGGUSA-N 1 3 355.523 0.800 20 0 FCADHO C[C@@H](COCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001103448575 844760381 /nfs/dbraw/zinc/76/03/81/844760381.db2.gz TVKSEBXPZQDMTK-OWCLPIDISA-N 1 3 354.495 0.047 20 0 FCADHO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001103570770 844782809 /nfs/dbraw/zinc/78/28/09/844782809.db2.gz FJWOBMMUTRGVDM-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001103570770 844782812 /nfs/dbraw/zinc/78/28/12/844782812.db2.gz FJWOBMMUTRGVDM-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104291169 844891024 /nfs/dbraw/zinc/89/10/24/844891024.db2.gz KRUCEDOYXDSEAV-BMFZPTHFSA-N 1 3 359.536 0.445 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104676827 844932504 /nfs/dbraw/zinc/93/25/04/844932504.db2.gz ZNRXMQVEWJNTNB-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105667276 845013423 /nfs/dbraw/zinc/01/34/23/845013423.db2.gz AFOFIIBBCBKPJK-FPAYPSAMSA-N 1 3 355.523 0.677 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001105945322 845064911 /nfs/dbraw/zinc/06/49/11/845064911.db2.gz SYGPCYJWFLJNHD-MCIONIFRSA-N 1 3 365.503 0.860 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106255499 845144565 /nfs/dbraw/zinc/14/45/65/845144565.db2.gz VWAUBAGZROHRDU-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001106704941 845228991 /nfs/dbraw/zinc/22/89/91/845228991.db2.gz KBMRVMJMAGIXEM-INMHGKMJSA-N 1 3 350.463 0.832 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779488 845250902 /nfs/dbraw/zinc/25/09/02/845250902.db2.gz PCZMQFDANRBJRB-HZPDHXFCSA-N 1 3 356.511 0.165 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106907758 845284514 /nfs/dbraw/zinc/28/45/14/845284514.db2.gz BHLGHIRWWQRWIG-ZACQAIPSSA-N 1 3 351.495 0.270 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001107038642 845317050 /nfs/dbraw/zinc/31/70/50/845317050.db2.gz BLQSYMIQKOELHA-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1N(CC(=O)N1CCC1)CC2 ZINC001107522771 845390206 /nfs/dbraw/zinc/39/02/06/845390206.db2.gz SQIXGIGGJJIKST-VQIMIIECSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609208 845407285 /nfs/dbraw/zinc/40/72/85/845407285.db2.gz IGQMWTZSKJDAAH-FRQCXROJSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609208 845407291 /nfs/dbraw/zinc/40/72/91/845407291.db2.gz IGQMWTZSKJDAAH-FRQCXROJSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(CC3CCOCC3)CCO2)CC[N@@H+]1C ZINC001107952887 845419071 /nfs/dbraw/zinc/41/90/71/845419071.db2.gz MYJCUELFWPNHGX-SUMDDJOVSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(CC3CCOCC3)CCO2)CC[N@H+]1C ZINC001107952887 845419076 /nfs/dbraw/zinc/41/90/76/845419076.db2.gz MYJCUELFWPNHGX-SUMDDJOVSA-N 1 3 353.507 0.960 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001111858180 846233788 /nfs/dbraw/zinc/23/37/88/846233788.db2.gz SARYHOAYQAVRBK-YJBOKZPZSA-N 1 3 351.495 0.324 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862181 846235480 /nfs/dbraw/zinc/23/54/80/846235480.db2.gz ACDUOYYRQOYKAL-YJBOKZPZSA-N 1 3 353.511 0.616 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112123409 846401541 /nfs/dbraw/zinc/40/15/41/846401541.db2.gz IPGRDKBTJFJSQO-CHWSQXEVSA-N 1 3 369.428 0.705 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112123409 846401550 /nfs/dbraw/zinc/40/15/50/846401550.db2.gz IPGRDKBTJFJSQO-CHWSQXEVSA-N 1 3 369.428 0.705 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112190060 846448590 /nfs/dbraw/zinc/44/85/90/846448590.db2.gz JLQJMHYGLPIEMM-CHWSQXEVSA-N 1 3 362.400 0.599 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112190060 846448597 /nfs/dbraw/zinc/44/85/97/846448597.db2.gz JLQJMHYGLPIEMM-CHWSQXEVSA-N 1 3 362.400 0.599 20 0 FCADHO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401682 846501011 /nfs/dbraw/zinc/50/10/11/846501011.db2.gz SDZWGNWRBUPISE-IEZWGBDMSA-N 1 3 353.507 0.696 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001112425608 846503065 /nfs/dbraw/zinc/50/30/65/846503065.db2.gz UCQUYHLQQQZQRV-FCEWJHQRSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112548683 846521807 /nfs/dbraw/zinc/52/18/07/846521807.db2.gz LZMJXNHTRLWOQU-BXWFABGCSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001112586420 846531738 /nfs/dbraw/zinc/53/17/38/846531738.db2.gz YGMWXSKMOUMAIB-BXWFABGCSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112586257 846532305 /nfs/dbraw/zinc/53/23/05/846532305.db2.gz PYEPELCQOOFZIA-KXBFYZLASA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001112586137 846532363 /nfs/dbraw/zinc/53/23/63/846532363.db2.gz JHAKTFCXSHLXHF-BXWFABGCSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](CO)N(C[C@H](C)O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001116719668 846746255 /nfs/dbraw/zinc/74/62/55/846746255.db2.gz NPMCXQMISHTTGF-CABCVRRESA-N 1 3 356.511 0.318 20 0 FCADHO CCOC(=O)N1CCN(C(=O)CN2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001118263519 847353451 /nfs/dbraw/zinc/35/34/51/847353451.db2.gz IKHOLCZXSSVRSN-UHFFFAOYSA-N 1 3 352.479 0.753 20 0 FCADHO CN1CCC2(CC1)CCN(C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)CC2 ZINC001119241850 847785158 /nfs/dbraw/zinc/78/51/58/847785158.db2.gz NESQSPKEUBDVEQ-UHFFFAOYSA-N 1 3 357.520 0.488 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCCN2C)CC1=O ZINC001120810733 848287083 /nfs/dbraw/zinc/28/70/83/848287083.db2.gz VHTZKZCQISNBDR-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCCCN2C)CC1=O ZINC001120810733 848287095 /nfs/dbraw/zinc/28/70/95/848287095.db2.gz VHTZKZCQISNBDR-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1C[C@H](C)N(c2nnc(C3CC[NH+](CCO)CC3)n2C)C[C@@H]1C ZINC001121362754 848343502 /nfs/dbraw/zinc/34/35/02/848343502.db2.gz QGWDSPBWAOAJMI-GJZGRUSLSA-N 1 3 350.511 0.906 20 0 FCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccs1 ZINC001127643603 848729874 /nfs/dbraw/zinc/72/98/74/848729874.db2.gz CLKJGRUABOPOOZ-MGPQQGTHSA-N 1 3 352.504 0.971 20 0 FCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccs1 ZINC001127643603 848729883 /nfs/dbraw/zinc/72/98/83/848729883.db2.gz CLKJGRUABOPOOZ-MGPQQGTHSA-N 1 3 352.504 0.971 20 0 FCADHO Cc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001127643927 848730170 /nfs/dbraw/zinc/73/01/70/848730170.db2.gz RLIWJHVHFUJWRZ-UKRRQHHQSA-N 1 3 352.504 0.719 20 0 FCADHO Cc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001127643927 848730176 /nfs/dbraw/zinc/73/01/76/848730176.db2.gz RLIWJHVHFUJWRZ-UKRRQHHQSA-N 1 3 352.504 0.719 20 0 FCADHO CC(C)N(CC(F)(F)F)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643911 848730195 /nfs/dbraw/zinc/73/01/95/848730195.db2.gz RBSDBKKXBIFOAG-CHWSQXEVSA-N 1 3 366.428 0.832 20 0 FCADHO CC(C)N(CC(F)(F)F)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643911 848730199 /nfs/dbraw/zinc/73/01/99/848730199.db2.gz RBSDBKKXBIFOAG-CHWSQXEVSA-N 1 3 366.428 0.832 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910246 848912873 /nfs/dbraw/zinc/91/28/73/848912873.db2.gz KMAPQJJTQWOQGZ-OAGGEKHMSA-N 1 3 352.483 0.386 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130043955 848935698 /nfs/dbraw/zinc/93/56/98/848935698.db2.gz IOAZJCITUOTVAY-CVEARBPZSA-N 1 3 352.483 0.124 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130047833 848936172 /nfs/dbraw/zinc/93/61/72/848936172.db2.gz VYVIMHIRPAZJSI-CVEARBPZSA-N 1 3 352.483 0.386 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001130096879 848944314 /nfs/dbraw/zinc/94/43/14/848944314.db2.gz WWLHSTSOQFGJJI-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001130096879 848944319 /nfs/dbraw/zinc/94/43/19/848944319.db2.gz WWLHSTSOQFGJJI-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[n-]1 ZINC001130238046 848985210 /nfs/dbraw/zinc/98/52/10/848985210.db2.gz QMEVFAVPKBJPFP-IHRRRGAJSA-N 1 3 350.467 0.245 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[n-]1 ZINC001130238046 848985216 /nfs/dbraw/zinc/98/52/16/848985216.db2.gz QMEVFAVPKBJPFP-IHRRRGAJSA-N 1 3 350.467 0.245 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131091651 849078555 /nfs/dbraw/zinc/07/85/55/849078555.db2.gz NXOATNKLXRKOLC-HZPDHXFCSA-N 1 3 351.495 0.682 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131132407 849083044 /nfs/dbraw/zinc/08/30/44/849083044.db2.gz JOFDQFZVGXEGGL-BZUAXINKSA-N 1 3 351.495 0.679 20 0 FCADHO COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001131562177 849123066 /nfs/dbraw/zinc/12/30/66/849123066.db2.gz NSJIZZDCKBSOGI-SUMDDJOVSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551184 849271079 /nfs/dbraw/zinc/27/10/79/849271079.db2.gz BCDWYGINLIZJTK-BSDSXHPESA-N 1 3 352.523 0.316 20 0 FCADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3c(C)[nH]c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC001138466156 849312423 /nfs/dbraw/zinc/31/24/23/849312423.db2.gz BCBMLLZVWXVPPH-UKRRQHHQSA-N 1 3 352.435 0.365 20 0 FCADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3c(C)[nH]c(=O)[nH]c3=O)CC[C@@H]2C1 ZINC001138466156 849312435 /nfs/dbraw/zinc/31/24/35/849312435.db2.gz BCBMLLZVWXVPPH-UKRRQHHQSA-N 1 3 352.435 0.365 20 0 FCADHO [NH3+]CCN=c1ccc(Br)cn1C(=O)C1CCCS1(=O)=O ZINC001143483588 849491132 /nfs/dbraw/zinc/49/11/32/849491132.db2.gz JTCWVDVQKFTLMB-JTQLQIEISA-N 1 3 362.249 0.327 20 0 FCADHO O=C(N1CCN(c2ccc(F)c(F)c2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157590996 849983628 /nfs/dbraw/zinc/98/36/28/849983628.db2.gz MFBZVHGRDSMSHZ-FZKQIMNGSA-N 1 3 350.413 0.813 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157721266 849989346 /nfs/dbraw/zinc/98/93/46/849989346.db2.gz WJNHTQSDJUVMOS-AJNGGQMLSA-N 1 3 374.551 0.045 20 0 FCADHO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]3O2)n1 ZINC001158692970 850067572 /nfs/dbraw/zinc/06/75/72/850067572.db2.gz KJBKSUFYPRABPU-ZDEQEGDKSA-N 1 3 355.464 0.076 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819201 850137919 /nfs/dbraw/zinc/13/79/19/850137919.db2.gz VWRKNJXJLCNCOM-ZFWWWQNUSA-N 1 3 352.479 0.119 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160076270 850151876 /nfs/dbraw/zinc/15/18/76/850151876.db2.gz JCLDRMUGCKSCBJ-ZQDZILKHSA-N 1 3 352.410 0.424 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160539286 850179627 /nfs/dbraw/zinc/17/96/27/850179627.db2.gz PDGUFXUWVPQFNO-AWEZNQCLSA-N 1 3 351.476 0.382 20 0 FCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCN2CCC1CC2 ZINC001160725855 850194745 /nfs/dbraw/zinc/19/47/45/850194745.db2.gz FUEMELQYQYEPLE-BPUTZDHNSA-N 1 3 370.563 0.904 20 0 FCADHO N[C@H](C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001160915684 850213419 /nfs/dbraw/zinc/21/34/19/850213419.db2.gz JLJUHGDTFDGXKM-HNNXBMFYSA-N 1 3 353.854 0.827 20 0 FCADHO NC(C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)C(F)(F)F ZINC001161198121 850239291 /nfs/dbraw/zinc/23/92/91/850239291.db2.gz LQZRRKSVLJRGNO-CQSZACIVSA-N 1 3 366.428 0.427 20 0 FCADHO COc1ccc(O[C@H]2CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2)nc1 ZINC001161368031 850254353 /nfs/dbraw/zinc/25/43/53/850254353.db2.gz BQIAEYAIMZGMPK-KBPBESRZSA-N 1 3 354.476 0.479 20 0 FCADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CC1(O)CCOCC1)CC2 ZINC001277812669 862114381 /nfs/dbraw/zinc/11/43/81/862114381.db2.gz BKUNUBLLNYCTRS-UHFFFAOYSA-N 1 3 353.507 0.794 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+]([C@@H]3CCCOCC3)CC2)C1=O ZINC001170822501 850665785 /nfs/dbraw/zinc/66/57/85/850665785.db2.gz SDWVTCPQDRPUOB-QGZVFWFLSA-N 1 3 352.523 0.726 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@H]2CCC=CO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278141255 862210646 /nfs/dbraw/zinc/21/06/46/862210646.db2.gz UVULKNXYEJUMFP-IEBWSBKVSA-N 1 3 350.507 0.897 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001185254249 851346517 /nfs/dbraw/zinc/34/65/17/851346517.db2.gz ZQUOJUUWLJDREZ-OAGGEKHMSA-N 1 3 363.531 0.812 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001185254249 851346528 /nfs/dbraw/zinc/34/65/28/851346528.db2.gz ZQUOJUUWLJDREZ-OAGGEKHMSA-N 1 3 363.531 0.812 20 0 FCADHO CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189871058 851832949 /nfs/dbraw/zinc/83/29/49/851832949.db2.gz JXNFAQSMGVDHBF-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738391 852478993 /nfs/dbraw/zinc/47/89/93/852478993.db2.gz SNHDXMGKFSMAPO-KZNAEPCWSA-N 1 3 353.507 0.981 20 0 FCADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738391 852478999 /nfs/dbraw/zinc/47/89/99/852478999.db2.gz SNHDXMGKFSMAPO-KZNAEPCWSA-N 1 3 353.507 0.981 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@H]2O)CCCC1 ZINC001195005962 852690651 /nfs/dbraw/zinc/69/06/51/852690651.db2.gz BSFABRXFLOVNCE-GVDBMIGSSA-N 1 3 353.507 0.981 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775844 853160953 /nfs/dbraw/zinc/16/09/53/853160953.db2.gz OJRSIYAHVJVUIT-BFHYXJOUSA-N 1 3 367.412 0.459 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197775844 853160960 /nfs/dbraw/zinc/16/09/60/853160960.db2.gz OJRSIYAHVJVUIT-BFHYXJOUSA-N 1 3 367.412 0.459 20 0 FCADHO CCCN(C)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205516827 853619444 /nfs/dbraw/zinc/61/94/44/853619444.db2.gz XJIPGUSVKILCBD-IXDOHACOSA-N 1 3 353.507 0.648 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426995 854108875 /nfs/dbraw/zinc/10/88/75/854108875.db2.gz MOZQOVCVBRRIBH-NVXWUHKLSA-N 1 3 356.511 0.308 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353261 854448333 /nfs/dbraw/zinc/44/83/33/854448333.db2.gz NUMDVWGAMLOCPR-GVDBMIGSSA-N 1 3 359.486 0.908 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1OC ZINC001212353261 854448337 /nfs/dbraw/zinc/44/83/37/854448337.db2.gz NUMDVWGAMLOCPR-GVDBMIGSSA-N 1 3 359.486 0.908 20 0 FCADHO CO[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346540 854583949 /nfs/dbraw/zinc/58/39/49/854583949.db2.gz RLAZWIPGQHCONB-GVDBMIGSSA-N 1 3 357.495 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001214661721 854987784 /nfs/dbraw/zinc/98/77/84/854987784.db2.gz ADWBCXMHQMAUIS-MUIFIZLQSA-N 1 3 350.507 0.632 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001214661721 854987789 /nfs/dbraw/zinc/98/77/89/854987789.db2.gz ADWBCXMHQMAUIS-MUIFIZLQSA-N 1 3 350.507 0.632 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214757384 855003679 /nfs/dbraw/zinc/00/36/79/855003679.db2.gz KWCDLETUJOXUNW-VNQPRFMTSA-N 1 3 356.486 0.629 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860926 855025031 /nfs/dbraw/zinc/02/50/31/855025031.db2.gz BJXRRAKNSSIHHL-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001214990281 855048653 /nfs/dbraw/zinc/04/86/53/855048653.db2.gz HYIBKFHNVZCPQQ-OWCLPIDISA-N 1 3 351.495 0.411 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001215002128 855050880 /nfs/dbraw/zinc/05/08/80/855050880.db2.gz ZYNURTTUOPAETJ-VXGBXAGGSA-N 1 3 366.428 0.832 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001215002128 855050884 /nfs/dbraw/zinc/05/08/84/855050884.db2.gz ZYNURTTUOPAETJ-VXGBXAGGSA-N 1 3 366.428 0.832 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215423332 855112724 /nfs/dbraw/zinc/11/27/24/855112724.db2.gz HKFIISFOVQTBJF-FRRDWIJNSA-N 1 3 366.428 0.832 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215421801 855112739 /nfs/dbraw/zinc/11/27/39/855112739.db2.gz MWEYGPNFDCSASD-VXGBXAGGSA-N 1 3 352.401 0.443 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215423926 855112947 /nfs/dbraw/zinc/11/29/47/855112947.db2.gz XJLHDIZWPQWJKL-CHWSQXEVSA-N 1 3 366.428 0.785 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215476736 855119962 /nfs/dbraw/zinc/11/99/62/855119962.db2.gz SHRLTYFWONQDSG-BFYDXBDKSA-N 1 3 356.511 0.162 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCOCCO ZINC001215539862 855126358 /nfs/dbraw/zinc/12/63/58/855126358.db2.gz AULDMQMJXYBYJX-IIDMSEBBSA-N 1 3 359.486 0.644 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215541032 855127483 /nfs/dbraw/zinc/12/74/83/855127483.db2.gz VIEWSOOJNAEBRX-LBTNJELSSA-N 1 3 356.486 0.724 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215551169 855128096 /nfs/dbraw/zinc/12/80/96/855128096.db2.gz LVKYQBSCWIAGDT-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001216383835 855197566 /nfs/dbraw/zinc/19/75/66/855197566.db2.gz QUOXRBGVZFYWEL-HYVNUMGLSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001216383835 855197568 /nfs/dbraw/zinc/19/75/68/855197568.db2.gz QUOXRBGVZFYWEL-HYVNUMGLSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401682 855199376 /nfs/dbraw/zinc/19/93/76/855199376.db2.gz OYGJQLSDAJTYRS-OWCLPIDISA-N 1 3 356.511 0.162 20 0 FCADHO CC(C)CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409216 855200156 /nfs/dbraw/zinc/20/01/56/855200156.db2.gz CQOVYXISXAKIPD-OWCLPIDISA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216406125 855200219 /nfs/dbraw/zinc/20/02/19/855200219.db2.gz ZSQLTGUBBRVEQE-VXGBXAGGSA-N 1 3 362.396 0.197 20 0 FCADHO CCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409229 855200503 /nfs/dbraw/zinc/20/05/03/855200503.db2.gz DCOODDJOZAWKLT-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001216494483 855206871 /nfs/dbraw/zinc/20/68/71/855206871.db2.gz JUJPHQNVLSBONB-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001216494483 855206875 /nfs/dbraw/zinc/20/68/75/855206875.db2.gz JUJPHQNVLSBONB-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001216511629 855209066 /nfs/dbraw/zinc/20/90/66/855209066.db2.gz XWCAUYHCMRXEJM-HUUCEWRRSA-N 1 3 362.540 0.094 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001216511538 855209655 /nfs/dbraw/zinc/20/96/55/855209655.db2.gz SNRTWRHYJJWMAA-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO C[NH2+][C@H]1CC[C@H](Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)CC1 ZINC001218188237 855405421 /nfs/dbraw/zinc/40/54/21/855405421.db2.gz SIIPZNQPWOCYRH-XYPYZODXSA-N 1 3 352.435 0.670 20 0 FCADHO CC[N@@H+]1CCC[C@@H](Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)C1 ZINC001218346996 855416280 /nfs/dbraw/zinc/41/62/80/855416280.db2.gz FVTDMDNJNROLIM-LLVKDONJSA-N 1 3 352.435 0.624 20 0 FCADHO CC[N@H+]1CCC[C@@H](Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)C1 ZINC001218346996 855416282 /nfs/dbraw/zinc/41/62/82/855416282.db2.gz FVTDMDNJNROLIM-LLVKDONJSA-N 1 3 352.435 0.624 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218476792 855429476 /nfs/dbraw/zinc/42/94/76/855429476.db2.gz UKIZKLLDANBCDZ-JTQLQIEISA-N 1 3 352.435 0.670 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)COC1(C)C ZINC001218535620 855436676 /nfs/dbraw/zinc/43/66/76/855436676.db2.gz YXSCRBNOUIVNCT-NGZCFLSTSA-N 1 3 367.475 0.208 20 0 FCADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218556373 855438568 /nfs/dbraw/zinc/43/85/68/855438568.db2.gz ZUBRPNOYUUSWRG-VIFPVBQESA-N 1 3 371.463 0.416 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H]3CN(CC[C@@H]4CCCO4)C[C@@H]32)CC1 ZINC001218550869 855438841 /nfs/dbraw/zinc/43/88/41/855438841.db2.gz QYBCYGHEEGMYPG-YESZJQIVSA-N 1 3 351.491 0.809 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575340 855442884 /nfs/dbraw/zinc/44/28/84/855442884.db2.gz FMXOPIYCGDJEQB-AWEZNQCLSA-N 1 3 350.467 0.747 20 0 FCADHO Nc1ncc(Br)nc1N(CC1CC1)C(=O)[C@H](N)CCC[NH3+] ZINC001218635180 855454862 /nfs/dbraw/zinc/45/48/62/855454862.db2.gz KLUSHMQJLQZABP-SECBINFHSA-N 1 3 357.256 0.631 20 0 FCADHO Nc1cnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(I)c1 ZINC001218678636 855463655 /nfs/dbraw/zinc/46/36/55/855463655.db2.gz AMHVHVXIXUDHLL-MRVPVSSYSA-N 1 3 373.198 0.016 20 0 FCADHO N[C@@H](C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218698671 855466390 /nfs/dbraw/zinc/46/63/90/855466390.db2.gz KNQLCGZMEIKVDY-OAHLLOKOSA-N 1 3 353.854 0.837 20 0 FCADHO COC(=O)c1cc(Br)cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218734396 855472576 /nfs/dbraw/zinc/47/25/76/855472576.db2.gz URQNXAVTMITGHW-SECBINFHSA-N 1 3 369.219 0.378 20 0 FCADHO [NH3+][C@@H]1CCCN([C@@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)c2ccsc2)C1 ZINC001219847563 855843900 /nfs/dbraw/zinc/84/39/00/855843900.db2.gz KVXJLIILANKMTL-DRRXZNNHSA-N 1 3 364.515 0.848 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919757 855878781 /nfs/dbraw/zinc/87/87/81/855878781.db2.gz MARJCVLYWRLVST-SJORKVTESA-N 1 3 350.463 0.496 20 0 FCADHO Cc1nn(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)c(C)c1Br ZINC001219997450 855911221 /nfs/dbraw/zinc/91/12/21/855911221.db2.gz XFUCRJJSGZNEIS-CYBMUJFWSA-N 1 3 358.284 0.706 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001220230696 856023779 /nfs/dbraw/zinc/02/37/79/856023779.db2.gz OQRQCNWHUVQVKD-IXDOHACOSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220294166 856049869 /nfs/dbraw/zinc/04/98/69/856049869.db2.gz JBBHXQSQLTVHKB-GJZGRUSLSA-N 1 3 351.447 0.827 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1cnn(C)c1 ZINC001220308189 856056588 /nfs/dbraw/zinc/05/65/88/856056588.db2.gz GFIBVTDRBQJJBX-SNPRPXQTSA-N 1 3 350.467 0.045 20 0 FCADHO N[C@H](CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501766 856156673 /nfs/dbraw/zinc/15/66/73/856156673.db2.gz UDDUJHOGRXILQB-LSDHHAIUSA-N 1 3 351.472 0.217 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607897 856204065 /nfs/dbraw/zinc/20/40/65/856204065.db2.gz PLVZWIIVCTZGKK-NEPJUHHUSA-N 1 3 372.267 0.341 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611419 856206737 /nfs/dbraw/zinc/20/67/37/856206737.db2.gz XFGWKKZHTMMKOI-JOOBJXAISA-N 1 3 362.293 0.661 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755427 856281829 /nfs/dbraw/zinc/28/18/29/856281829.db2.gz OJRSIYAHVJVUIT-MJBXVCDLSA-N 1 3 367.412 0.459 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755427 856281836 /nfs/dbraw/zinc/28/18/36/856281836.db2.gz OJRSIYAHVJVUIT-MJBXVCDLSA-N 1 3 367.412 0.459 20 0 FCADHO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220799827 856307174 /nfs/dbraw/zinc/30/71/74/856307174.db2.gz HKHDZLNHYLASCK-CABCVRRESA-N 1 3 365.861 0.739 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870200 856349745 /nfs/dbraw/zinc/34/97/45/856349745.db2.gz IXIDKORBJQNMKG-NSHDSACASA-N 1 3 353.224 0.043 20 0 FCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930307 856379703 /nfs/dbraw/zinc/37/97/03/856379703.db2.gz NJBVFQOKEFYIJZ-UMVBOHGHSA-N 1 3 355.479 0.933 20 0 FCADHO COCCC1(NC(=O)[C@@H](N)CCCC[NH+](C)C)CCS(=O)(=O)CC1 ZINC001221025953 856429786 /nfs/dbraw/zinc/42/97/86/856429786.db2.gz NQNDVFPVEAHNHU-AWEZNQCLSA-N 1 3 363.524 0.146 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081408 856452803 /nfs/dbraw/zinc/45/28/03/856452803.db2.gz JXXOPCZXPGBRTD-FGTMMUONSA-N 1 3 353.507 0.839 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001221637370 856633222 /nfs/dbraw/zinc/63/32/22/856633222.db2.gz FPDGUYHMHMRZRA-OAGGEKHMSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001221637370 856633229 /nfs/dbraw/zinc/63/32/29/856633229.db2.gz FPDGUYHMHMRZRA-OAGGEKHMSA-N 1 3 351.495 0.275 20 0 FCADHO C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895121 856726109 /nfs/dbraw/zinc/72/61/09/856726109.db2.gz WMOXSTWEGSVUNP-LZLYRXPVSA-N 1 3 353.507 0.791 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222809437 856874171 /nfs/dbraw/zinc/87/41/71/856874171.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 1 3 353.507 0.793 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222809437 856874176 /nfs/dbraw/zinc/87/41/76/856874176.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 1 3 353.507 0.793 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222809437 856874178 /nfs/dbraw/zinc/87/41/78/856874178.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 1 3 353.507 0.793 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222809437 856874185 /nfs/dbraw/zinc/87/41/85/856874185.db2.gz CTANTHYUDJTAGH-SQNIBIBYSA-N 1 3 353.507 0.793 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC)N(C)C ZINC001227056175 857138526 /nfs/dbraw/zinc/13/85/26/857138526.db2.gz ABKRUTAOYLDZTB-RBSFLKMASA-N 1 3 362.540 0.283 20 0 FCADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H](C1CC1)N1CCCC1 ZINC001227704016 857170815 /nfs/dbraw/zinc/17/08/15/857170815.db2.gz QPUIRHYGWITDCE-KURKYZTESA-N 1 3 353.507 0.887 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138021 857305844 /nfs/dbraw/zinc/30/58/44/857305844.db2.gz CFGALLJJNXVTMD-ARFHVFGLSA-N 1 3 354.495 0.108 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138021 857305853 /nfs/dbraw/zinc/30/58/53/857305853.db2.gz CFGALLJJNXVTMD-ARFHVFGLSA-N 1 3 354.495 0.108 20 0 FCADHO O=C1Cc2cc(S(=O)(=O)NC[C@@H]3CCC4(CCNCC4)[NH2+]3)ccc2N1 ZINC001238240364 857464964 /nfs/dbraw/zinc/46/49/64/857464964.db2.gz HQBOJBXPYKZSHW-ZDUSSCGKSA-N 1 3 364.471 0.334 20 0 FCADHO O=C1Cc2cc(S(=O)(=O)NC[C@@H]3CCC4(CC[NH2+]CC4)N3)ccc2N1 ZINC001238240364 857464969 /nfs/dbraw/zinc/46/49/69/857464969.db2.gz HQBOJBXPYKZSHW-ZDUSSCGKSA-N 1 3 364.471 0.334 20 0 FCADHO COc1ccc(F)cc1S(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241881 857465229 /nfs/dbraw/zinc/46/52/29/857465229.db2.gz MPCXIKMQKXDFHY-CYBMUJFWSA-N 1 3 357.451 0.987 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1cccc2nsnc21 ZINC001238239152 857465339 /nfs/dbraw/zinc/46/53/39/857465339.db2.gz CBEGLHYKQWOACQ-LLVKDONJSA-N 1 3 367.500 0.844 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1F ZINC001238243960 857466163 /nfs/dbraw/zinc/46/61/63/857466163.db2.gz XBCLWCJNTCUATH-LBPRGKRZSA-N 1 3 357.451 0.987 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1F ZINC001238243960 857466166 /nfs/dbraw/zinc/46/61/66/857466166.db2.gz XBCLWCJNTCUATH-LBPRGKRZSA-N 1 3 357.451 0.987 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@]2(CCCN(C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502429 862919403 /nfs/dbraw/zinc/91/94/03/862919403.db2.gz QRKBWVCOGHQYHO-IEBWSBKVSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@]2(CCCN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502429 862919421 /nfs/dbraw/zinc/91/94/21/862919421.db2.gz QRKBWVCOGHQYHO-IEBWSBKVSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@]2(CCCN(C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279502434 862919903 /nfs/dbraw/zinc/91/99/03/862919903.db2.gz QRKBWVCOGHQYHO-PKOBYXMFSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@]2(CCCN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279502434 862919910 /nfs/dbraw/zinc/91/99/10/862919910.db2.gz QRKBWVCOGHQYHO-PKOBYXMFSA-N 1 3 352.523 0.583 20 0 FCADHO CCOC(=O)[C@@]12CN([C@@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1C[NH2+]CCC2 ZINC001246599129 857586431 /nfs/dbraw/zinc/58/64/31/857586431.db2.gz ATXDEDMYQNHCIK-KRXQYRFLSA-N 1 3 353.463 0.145 20 0 FCADHO C[C@H]1CC[C@@H](N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C[NH2+]1 ZINC001246737609 857595072 /nfs/dbraw/zinc/59/50/72/857595072.db2.gz DWJKOECDNUMXBH-TZNCUMHOSA-N 1 3 351.491 0.570 20 0 FCADHO CCOC(=O)C1(N)CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)N3)CC1 ZINC001246869353 857604185 /nfs/dbraw/zinc/60/41/85/857604185.db2.gz RHHGUQAHFZAVJF-HFDVOGEKSA-N 1 3 353.463 0.415 20 0 FCADHO C[NH+]1CCC(CN2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)CC1 ZINC001279609764 862977446 /nfs/dbraw/zinc/97/74/46/862977446.db2.gz WDIIAGXKCVLKSV-KGLIPLIRSA-N 1 3 364.412 0.985 20 0 FCADHO O=C1C=CC(=O)N1CCOCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681670 858095495 /nfs/dbraw/zinc/09/54/95/858095495.db2.gz YVCXJCNPSWPBPZ-UHFFFAOYSA-N 1 3 351.447 0.161 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CCSC1 ZINC001257110588 858119734 /nfs/dbraw/zinc/11/97/34/858119734.db2.gz NEUCRPOAPIGBPQ-VBQJREDUSA-N 1 3 356.536 0.529 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001262184168 858809834 /nfs/dbraw/zinc/80/98/34/858809834.db2.gz XLCGHXUYEXBUDW-UHFFFAOYSA-N 1 3 352.523 0.774 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1=O ZINC001262574515 859004301 /nfs/dbraw/zinc/00/43/01/859004301.db2.gz UNWWVGQLZLCHKI-RHSMWYFYSA-N 1 3 353.438 0.628 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264094556 859309248 /nfs/dbraw/zinc/30/92/48/859309248.db2.gz LOGRPKOAXSFXPL-XHSDSOJGSA-N 1 3 350.507 0.585 20 0 FCADHO C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1)N1CCCC1 ZINC001270490660 859771276 /nfs/dbraw/zinc/77/12/76/859771276.db2.gz PSPIDCKZDOBGKZ-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO CN1CCO[C@H](C(=O)N2CCC3(CCCN(CC[NH+](C)C)C3)CC2)C1 ZINC001273217879 860411313 /nfs/dbraw/zinc/41/13/13/860411313.db2.gz NVDDFGBCBFEQKF-KRWDZBQOSA-N 1 3 352.523 0.583 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001273789279 860601152 /nfs/dbraw/zinc/60/11/52/860601152.db2.gz PBVWENYBWBSWSV-DNVCBOLYSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273836634 860614077 /nfs/dbraw/zinc/61/40/77/860614077.db2.gz YCLWYIYMGZSPHJ-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001273836634 860614081 /nfs/dbraw/zinc/61/40/81/860614081.db2.gz YCLWYIYMGZSPHJ-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)N(C)C ZINC001281988240 864021718 /nfs/dbraw/zinc/02/17/18/864021718.db2.gz LVCCQXOGMZBJFD-OWCLPIDISA-N 1 3 350.507 0.728 20 0 FCADHO CC1(N2CCOCC2)CCC([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001308762330 866720016 /nfs/dbraw/zinc/72/00/16/866720016.db2.gz BURYAUDLWUPISZ-UHFFFAOYSA-N 1 3 360.520 0.549 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1=O ZINC001352034003 867018184 /nfs/dbraw/zinc/01/81/84/867018184.db2.gz CULDZOABGDJIAH-INIZCTEOSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001357365667 868105274 /nfs/dbraw/zinc/10/52/74/868105274.db2.gz CNYGYBGQPDATRN-GASCZTMLSA-N 1 3 352.479 0.891 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC001322519845 868842309 /nfs/dbraw/zinc/84/23/09/868842309.db2.gz HUBALMSRBLUZGF-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCC(C)CC1 ZINC001322519845 868842327 /nfs/dbraw/zinc/84/23/27/868842327.db2.gz HUBALMSRBLUZGF-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC001325963741 870115912 /nfs/dbraw/zinc/11/59/12/870115912.db2.gz DXFNBSRTPMMZFT-OAHLLOKOSA-N 1 3 356.511 0.260 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(O)CCOCC3)CC2)CC1 ZINC001327084827 870658717 /nfs/dbraw/zinc/65/87/17/870658717.db2.gz NUPONSOETMUFFV-UHFFFAOYSA-N 1 3 353.507 0.840 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)s1 ZINC001327627087 870981301 /nfs/dbraw/zinc/98/13/01/870981301.db2.gz IMOJOQJEVBFREB-UHFFFAOYSA-N 1 3 360.911 0.970 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001328324094 871363448 /nfs/dbraw/zinc/36/34/48/871363448.db2.gz MMZMCSWJTGMXJL-PMPSAXMXSA-N 1 3 358.527 0.094 20 0 FCADHO C[NH+](C)C1CCN(C(=O)Cc2noc(C[C@H]3CSCCN3)n2)CC1 ZINC001328411809 871415956 /nfs/dbraw/zinc/41/59/56/871415956.db2.gz AMXDEFNEVSTUFM-LBPRGKRZSA-N 1 3 353.492 0.412 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713101 949593522 /nfs/dbraw/zinc/59/35/22/949593522.db2.gz VYDRWWMHNCWHNE-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713101 949593534 /nfs/dbraw/zinc/59/35/34/949593534.db2.gz VYDRWWMHNCWHNE-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713101 949593551 /nfs/dbraw/zinc/59/35/51/949593551.db2.gz VYDRWWMHNCWHNE-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713101 949593564 /nfs/dbraw/zinc/59/35/64/949593564.db2.gz VYDRWWMHNCWHNE-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113767 951945489 /nfs/dbraw/zinc/94/54/89/951945489.db2.gz FXCYNMVULDIFAO-DZGCQCFKSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113767 951945497 /nfs/dbraw/zinc/94/54/97/951945497.db2.gz FXCYNMVULDIFAO-DZGCQCFKSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113767 951945502 /nfs/dbraw/zinc/94/55/02/951945502.db2.gz FXCYNMVULDIFAO-DZGCQCFKSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113767 951945508 /nfs/dbraw/zinc/94/55/08/951945508.db2.gz FXCYNMVULDIFAO-DZGCQCFKSA-N 1 3 357.462 0.660 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C[NH+](C)C ZINC001571089475 952234112 /nfs/dbraw/zinc/23/41/12/952234112.db2.gz YIBRKJMTUSZQKD-IAGOWNOFSA-N 1 3 371.489 0.607 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C[NH+](C)C ZINC001571089475 952234118 /nfs/dbraw/zinc/23/41/18/952234118.db2.gz YIBRKJMTUSZQKD-IAGOWNOFSA-N 1 3 371.489 0.607 20 0 FCADHO COc1cc(CN(CCO)CCCO)cc(CN(CCO)CCCO)c1 ZINC000292666381 214115749 /nfs/dbraw/zinc/11/57/49/214115749.db2.gz QDMRFOURVWBPNX-UHFFFAOYSA-N 1 3 370.490 0.049 20 0 FCADHO COc1cc(CN(CCO)CCCO)cc(C[N@H+](CCO)CCCO)c1 ZINC000292666381 214115750 /nfs/dbraw/zinc/11/57/50/214115750.db2.gz QDMRFOURVWBPNX-UHFFFAOYSA-N 1 3 370.490 0.049 20 0 FCADHO COc1cc(CN(CCO)CCCO)cc(C[N@@H+](CCO)CCCO)c1 ZINC000292666381 214115752 /nfs/dbraw/zinc/11/57/52/214115752.db2.gz QDMRFOURVWBPNX-UHFFFAOYSA-N 1 3 370.490 0.049 20 0 FCADHO C[C@@H](O)CN(CCO)Cc1cc(Cl)cc(C[N@H+](CCO)C[C@@H](C)O)c1 ZINC000295272025 214287463 /nfs/dbraw/zinc/28/74/63/214287463.db2.gz ZHEBSXJRHFVXDC-HUUCEWRRSA-N 1 3 374.909 0.690 20 0 FCADHO C[C@@H](O)CN(CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)C[C@@H](C)O)c1 ZINC000295272025 214287465 /nfs/dbraw/zinc/28/74/65/214287465.db2.gz ZHEBSXJRHFVXDC-HUUCEWRRSA-N 1 3 374.909 0.690 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000410472846 529861363 /nfs/dbraw/zinc/86/13/63/529861363.db2.gz SFUJYQUVFUXRQF-SJORKVTESA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000410472846 529861365 /nfs/dbraw/zinc/86/13/65/529861365.db2.gz SFUJYQUVFUXRQF-SJORKVTESA-N 1 3 350.507 0.729 20 0 FCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000410558162 529886389 /nfs/dbraw/zinc/88/63/89/529886389.db2.gz POAYTZMMIHLPHD-LJQANCHMSA-N 1 3 350.507 0.875 20 0 FCADHO CNC(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)CCN2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888992 /nfs/dbraw/zinc/88/89/92/529888992.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 1 3 368.526 0.409 20 0 FCADHO CNC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)CCN2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888994 /nfs/dbraw/zinc/88/89/94/529888994.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 1 3 368.526 0.409 20 0 FCADHO CNC(=O)N[C@@H]1CCN(CC[C@@H](C)CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888995 /nfs/dbraw/zinc/88/89/95/529888995.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 1 3 368.526 0.409 20 0 FCADHO CNC(=O)N[C@@H]1CCN(CC[C@@H](C)CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000411541072 529888996 /nfs/dbraw/zinc/88/89/96/529888996.db2.gz HGCYLYCFWVHWCJ-PHZGNYQRSA-N 1 3 368.526 0.409 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752926 674055688 /nfs/dbraw/zinc/05/56/88/674055688.db2.gz XPRFHLTWCRMHOG-RTBURBONSA-N 1 3 355.523 0.381 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC000930752926 674055689 /nfs/dbraw/zinc/05/56/89/674055689.db2.gz XPRFHLTWCRMHOG-RTBURBONSA-N 1 3 355.523 0.381 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482547 215003297 /nfs/dbraw/zinc/00/32/97/215003297.db2.gz BAJVAFQRKZRTRJ-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000331482547 215003300 /nfs/dbraw/zinc/00/33/00/215003300.db2.gz BAJVAFQRKZRTRJ-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331460418 215000315 /nfs/dbraw/zinc/00/03/15/215000315.db2.gz YWTWRAIHPVUPTQ-DLBZAZTESA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331466921 215000962 /nfs/dbraw/zinc/00/09/62/215000962.db2.gz VKKBATPNCCWSRO-XAJHFOFHSA-N 1 3 350.507 0.809 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331502408 215005551 /nfs/dbraw/zinc/00/55/51/215005551.db2.gz QZZVBPDJKZDSDB-ULQDDVLXSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331590622 215019821 /nfs/dbraw/zinc/01/98/21/215019821.db2.gz YGWYELDJCOSBNB-YVSFHVDLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331590622 215019823 /nfs/dbraw/zinc/01/98/23/215019823.db2.gz YGWYELDJCOSBNB-YVSFHVDLSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000332248952 215115836 /nfs/dbraw/zinc/11/58/36/215115836.db2.gz CBPMACIADSIEGK-BFYDXBDKSA-N 1 3 366.506 0.155 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248954 215116006 /nfs/dbraw/zinc/11/60/06/215116006.db2.gz CBPMACIADSIEGK-UXLLHSPISA-N 1 3 366.506 0.155 20 0 FCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000332533493 215172005 /nfs/dbraw/zinc/17/20/05/215172005.db2.gz RTNUGPDRTOPIFG-YQQAZPJKSA-N 1 3 366.506 0.284 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000333258749 215255957 /nfs/dbraw/zinc/25/59/57/215255957.db2.gz DOSBWVNNXMWMDM-GOEBONIOSA-N 1 3 359.478 0.834 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000333258749 215255960 /nfs/dbraw/zinc/25/59/60/215255960.db2.gz DOSBWVNNXMWMDM-GOEBONIOSA-N 1 3 359.478 0.834 20 0 FCADHO O=C(Nc1cnc(N2CCNCC2)nc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000333319065 215262899 /nfs/dbraw/zinc/26/28/99/215262899.db2.gz MSRSMTCWTLIYPD-INIZCTEOSA-N 1 3 359.478 0.978 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333789763 215318898 /nfs/dbraw/zinc/31/88/98/215318898.db2.gz FZNYLTOHWLZRAK-HNNXBMFYSA-N 1 3 351.495 0.324 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000334075751 215341654 /nfs/dbraw/zinc/34/16/54/215341654.db2.gz JDVGUBQMMRMLQT-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO COCCN1CCC(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000361155465 215382555 /nfs/dbraw/zinc/38/25/55/215382555.db2.gz WMJUOYSTSNRQEM-GOSISDBHSA-N 1 3 367.538 0.519 20 0 FCADHO COCCN1CCC(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000361155465 215382557 /nfs/dbraw/zinc/38/25/57/215382557.db2.gz WMJUOYSTSNRQEM-GOSISDBHSA-N 1 3 367.538 0.519 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C1CC1 ZINC000285364057 213330548 /nfs/dbraw/zinc/33/05/48/213330548.db2.gz ZAYLUIRYKJJGGG-KRWDZBQOSA-N 1 3 360.502 0.876 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C1CC1 ZINC000285364057 213330549 /nfs/dbraw/zinc/33/05/49/213330549.db2.gz ZAYLUIRYKJJGGG-KRWDZBQOSA-N 1 3 360.502 0.876 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000285143075 213291314 /nfs/dbraw/zinc/29/13/14/213291314.db2.gz SQHRNNCAIRDPIN-SFHVURJKSA-N 1 3 372.513 0.878 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000285143075 213291317 /nfs/dbraw/zinc/29/13/17/213291317.db2.gz SQHRNNCAIRDPIN-SFHVURJKSA-N 1 3 372.513 0.878 20 0 FCADHO CN1CCC(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000284967255 213259753 /nfs/dbraw/zinc/25/97/53/213259753.db2.gz RXTVIGFFCBIDST-UHFFFAOYSA-N 1 3 362.474 0.454 20 0 FCADHO CN1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000284833586 213230302 /nfs/dbraw/zinc/23/03/02/213230302.db2.gz MSOFWISUKCGOOI-HDICACEKSA-N 1 3 370.497 0.787 20 0 FCADHO CN1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000284833586 213230303 /nfs/dbraw/zinc/23/03/03/213230303.db2.gz MSOFWISUKCGOOI-HDICACEKSA-N 1 3 370.497 0.787 20 0 FCADHO CN1CCC(NC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000284766376 213215485 /nfs/dbraw/zinc/21/54/85/213215485.db2.gz IYQZPHRRDHSBBR-UHFFFAOYSA-N 1 3 362.474 0.454 20 0 FCADHO CN(CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000284399857 213129962 /nfs/dbraw/zinc/12/99/62/213129962.db2.gz ATBDLMFOEPGION-HDICACEKSA-N 1 3 370.497 0.787 20 0 FCADHO CN(CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000284399857 213129966 /nfs/dbraw/zinc/12/99/66/213129966.db2.gz ATBDLMFOEPGION-HDICACEKSA-N 1 3 370.497 0.787 20 0 FCADHO COCCN(C)CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367195233 216090189 /nfs/dbraw/zinc/09/01/89/216090189.db2.gz HUOVYOKJKQCTMD-IRXDYDNUSA-N 1 3 355.527 0.232 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280802121 212670958 /nfs/dbraw/zinc/67/09/58/212670958.db2.gz KVDSXAYLYLOCDV-XLIONFOSSA-N 1 3 358.486 0.984 20 0 FCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246619858 209393010 /nfs/dbraw/zinc/39/30/10/209393010.db2.gz FBLKFSBBCGZASQ-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246619858 209393016 /nfs/dbraw/zinc/39/30/16/209393016.db2.gz FBLKFSBBCGZASQ-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)CN1CCN(C)CC1 ZINC000245883977 209376835 /nfs/dbraw/zinc/37/68/35/209376835.db2.gz BLJBTMDFMAQAFD-FGTMMUONSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)CN1CCN(C)CC1 ZINC000245883977 209376837 /nfs/dbraw/zinc/37/68/37/209376837.db2.gz BLJBTMDFMAQAFD-FGTMMUONSA-N 1 3 351.539 0.996 20 0 FCADHO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000188945753 209242821 /nfs/dbraw/zinc/24/28/21/209242821.db2.gz MMCFDDPBRRJGLV-IAGOWNOFSA-N 1 3 369.554 0.357 20 0 FCADHO C[C@H](O)CN(Cc1ccccc1C[N@H+](C[C@H](C)O)[C@@H](C)CO)[C@@H](C)CO ZINC000276216399 212188876 /nfs/dbraw/zinc/18/88/76/212188876.db2.gz PSPSBSZLYZIIIR-XSLAGTTESA-N 1 3 368.518 0.814 20 0 FCADHO C[C@H](O)CN(Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO)[C@@H](C)CO ZINC000276216399 212188879 /nfs/dbraw/zinc/18/88/79/212188879.db2.gz PSPSBSZLYZIIIR-XSLAGTTESA-N 1 3 368.518 0.814 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000373272056 217002707 /nfs/dbraw/zinc/00/27/07/217002707.db2.gz SINAYUGPAMVCGA-INIZCTEOSA-N 1 3 368.522 0.992 20 0 FCADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)NC1CN(c2ccccc2)C1=O ZINC000415165088 245353780 /nfs/dbraw/zinc/35/37/80/245353780.db2.gz LWIYCESKXDZQKK-KRWDZBQOSA-N 1 3 364.405 0.802 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363232 217121486 /nfs/dbraw/zinc/12/14/86/217121486.db2.gz PNEGHVVICAFFJK-DLBZAZTESA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1=O ZINC000374398671 217124453 /nfs/dbraw/zinc/12/44/53/217124453.db2.gz KNMVFWMISZBUJO-YYIAUSFCSA-N 1 3 366.506 0.107 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1=O ZINC000374918551 217189469 /nfs/dbraw/zinc/18/94/69/217189469.db2.gz SJNCZQOETVMBIZ-BRSBDYLESA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1=O ZINC000374918551 217189472 /nfs/dbraw/zinc/18/94/72/217189472.db2.gz SJNCZQOETVMBIZ-BRSBDYLESA-N 1 3 362.518 0.872 20 0 FCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000182897918 209138382 /nfs/dbraw/zinc/13/83/82/209138382.db2.gz ZQGSLPYNDVMONX-HKUYNNGSSA-N 1 3 364.490 0.365 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419158810 246024389 /nfs/dbraw/zinc/02/43/89/246024389.db2.gz YIZOERTWGDQOKX-KBPBESRZSA-N 1 3 352.504 0.930 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419158031 246024661 /nfs/dbraw/zinc/02/46/61/246024661.db2.gz XEKWCAYUWWMDMY-UONOGXRCSA-N 1 3 352.504 0.882 20 0 FCADHO O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419134922 246009272 /nfs/dbraw/zinc/00/92/72/246009272.db2.gz LGDIOCZNKMHVFV-OAHLLOKOSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419145784 246015279 /nfs/dbraw/zinc/01/52/79/246015279.db2.gz HUBPJDUSHHHXOM-GJZGRUSLSA-N 1 3 362.474 0.439 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419167959 246030738 /nfs/dbraw/zinc/03/07/38/246030738.db2.gz JYNQCAPYGONCDA-KKUMJFAQSA-N 1 3 354.495 0.452 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419167959 246030743 /nfs/dbraw/zinc/03/07/43/246030743.db2.gz JYNQCAPYGONCDA-KKUMJFAQSA-N 1 3 354.495 0.452 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN(CCc3ccccc3)CC2)CCC1 ZINC000419182585 246039812 /nfs/dbraw/zinc/03/98/12/246039812.db2.gz CMMSLPIYQWDZSK-UHFFFAOYSA-N 1 3 358.486 0.807 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@H]1CNCCO1)[N@H+](C)Cc1ccccc1 ZINC000419186899 246041439 /nfs/dbraw/zinc/04/14/39/246041439.db2.gz FIZCEWNCSNSRGG-DOTOQJQBSA-N 1 3 362.474 0.118 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@H]1CNCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186899 246041444 /nfs/dbraw/zinc/04/14/44/246041444.db2.gz FIZCEWNCSNSRGG-DOTOQJQBSA-N 1 3 362.474 0.118 20 0 FCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419215004 246058661 /nfs/dbraw/zinc/05/86/61/246058661.db2.gz NQICFDNKDCQSCI-KRWDZBQOSA-N 1 3 362.474 0.248 20 0 FCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419215004 246058663 /nfs/dbraw/zinc/05/86/63/246058663.db2.gz NQICFDNKDCQSCI-KRWDZBQOSA-N 1 3 362.474 0.248 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419222308 246062493 /nfs/dbraw/zinc/06/24/93/246062493.db2.gz BMVLPABTBAUPOS-OLMNPRSZSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226541 246064347 /nfs/dbraw/zinc/06/43/47/246064347.db2.gz JEUZHPCFCJYTIR-AITUJVMLSA-N 1 3 370.497 0.834 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCC[NH2+]C1 ZINC000419224547 246064521 /nfs/dbraw/zinc/06/45/21/246064521.db2.gz FUUCNQFCYOZXJY-VQIMIIECSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000419224384 246064982 /nfs/dbraw/zinc/06/49/82/246064982.db2.gz ZIPBPYFPCXLPDO-MRXNPFEDSA-N 1 3 362.474 0.583 20 0 FCADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227199 246065432 /nfs/dbraw/zinc/06/54/32/246065432.db2.gz JYAJEOPLKWAQQZ-DLBZAZTESA-N 1 3 350.507 0.955 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419226543 246065462 /nfs/dbraw/zinc/06/54/62/246065462.db2.gz JEUZHPCFCJYTIR-OWYHZJEWSA-N 1 3 370.497 0.834 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000419197593 246048620 /nfs/dbraw/zinc/04/86/20/246048620.db2.gz XVZBGEZXVWJNED-GOSISDBHSA-N 1 3 358.486 0.663 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCC1 ZINC000419237944 246073707 /nfs/dbraw/zinc/07/37/07/246073707.db2.gz MIAKVTZWXQTHDC-HOTGVXAUSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2=CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419371381 246123650 /nfs/dbraw/zinc/12/36/50/246123650.db2.gz ISKZRPXSQQLUFA-UHFFFAOYSA-N 1 3 356.470 0.238 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000419416560 246148882 /nfs/dbraw/zinc/14/88/82/246148882.db2.gz WIJJIOXEHACVAX-SJORKVTESA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000419416560 246148886 /nfs/dbraw/zinc/14/88/86/246148886.db2.gz WIJJIOXEHACVAX-SJORKVTESA-N 1 3 368.522 0.722 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397206 246131557 /nfs/dbraw/zinc/13/15/57/246131557.db2.gz UKBJGVGVCVTLQQ-ZWKOTPCHSA-N 1 3 360.502 0.924 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419401978 246137747 /nfs/dbraw/zinc/13/77/47/246137747.db2.gz BRGDKTAZMPKQEA-HNNXBMFYSA-N 1 3 354.495 0.191 20 0 FCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419420696 246154697 /nfs/dbraw/zinc/15/46/97/246154697.db2.gz KFUOQYQVRUDNFK-YJBOKZPZSA-N 1 3 358.486 0.795 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419433993 246161606 /nfs/dbraw/zinc/16/16/06/246161606.db2.gz ZYTKJFBVBIRPJS-DLBZAZTESA-N 1 3 360.458 0.044 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419418565 246153124 /nfs/dbraw/zinc/15/31/24/246153124.db2.gz IHNLIBIEPQAVRR-VQIMIIECSA-N 1 3 372.513 0.994 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419474880 246177046 /nfs/dbraw/zinc/17/70/46/246177046.db2.gz CTMQCAYDUZQQAC-JYJNAYRXSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419474880 246177050 /nfs/dbraw/zinc/17/70/50/246177050.db2.gz CTMQCAYDUZQQAC-JYJNAYRXSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483579 246179045 /nfs/dbraw/zinc/17/90/45/246179045.db2.gz RZVHXNZBCCMZLD-CVEARBPZSA-N 1 3 368.522 0.844 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)N(C)C1CC1 ZINC000419587721 246211376 /nfs/dbraw/zinc/21/13/76/246211376.db2.gz NSPOQMCPFXCYAC-COXVUDFISA-N 1 3 366.506 0.330 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419660953 246235418 /nfs/dbraw/zinc/23/54/18/246235418.db2.gz DIWCPANEGMVNDK-KBPBESRZSA-N 1 3 354.495 0.454 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419660957 246235789 /nfs/dbraw/zinc/23/57/89/246235789.db2.gz DIWCPANEGMVNDK-KGLIPLIRSA-N 1 3 354.495 0.454 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419649695 246230577 /nfs/dbraw/zinc/23/05/77/246230577.db2.gz UIGMHOWLXIJIAZ-DOMZBBRYSA-N 1 3 352.479 0.206 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@H](CN)C1 ZINC000419717850 246268338 /nfs/dbraw/zinc/26/83/38/246268338.db2.gz VHPAKOUJRTWIMB-HRCADAONSA-N 1 3 354.495 0.332 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717420 246268800 /nfs/dbraw/zinc/26/88/00/246268800.db2.gz BFQYTZXSMLNYDG-WCQYABFASA-N 1 3 354.495 0.641 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419687802 246249581 /nfs/dbraw/zinc/24/95/81/246249581.db2.gz QBQXQTLGJOYJDK-CVEARBPZSA-N 1 3 366.506 0.476 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CCCC2)CC1 ZINC000419751491 246283816 /nfs/dbraw/zinc/28/38/16/246283816.db2.gz KGCXWJTZVSGGLE-MRXNPFEDSA-N 1 3 366.506 0.380 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CCCC2)CC1 ZINC000419758360 246287667 /nfs/dbraw/zinc/28/76/67/246287667.db2.gz VXNLRGBWASGFIR-CQSZACIVSA-N 1 3 354.495 0.332 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C1CC1 ZINC000419761934 246288824 /nfs/dbraw/zinc/28/88/24/246288824.db2.gz LHCSDIJOCUJHGE-GOSISDBHSA-N 1 3 358.486 0.963 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000419778212 246294087 /nfs/dbraw/zinc/29/40/87/246294087.db2.gz OHANXDMOKLTSPR-RBSFLKMASA-N 1 3 354.495 0.188 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419830414 246309580 /nfs/dbraw/zinc/30/95/80/246309580.db2.gz WASCJWSBPHGJHV-INIZCTEOSA-N 1 3 366.506 0.396 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419866458 246335109 /nfs/dbraw/zinc/33/51/09/246335109.db2.gz UKHGHJVSDZAMCI-INIZCTEOSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869142 246338103 /nfs/dbraw/zinc/33/81/03/246338103.db2.gz CUUCAOQDSQXYST-AWEZNQCLSA-N 1 3 354.401 0.333 20 0 FCADHO O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419927369 246372943 /nfs/dbraw/zinc/37/29/43/246372943.db2.gz QUXASKOIXLMBOF-NRFANRHFSA-N 1 3 370.497 0.837 20 0 FCADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419882727 246347880 /nfs/dbraw/zinc/34/78/80/246347880.db2.gz MIXAGTFNRXRVNF-CQSZACIVSA-N 1 3 352.504 0.897 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419895290 246356912 /nfs/dbraw/zinc/35/69/12/246356912.db2.gz RYNBUCQDVDEQBY-KRWDZBQOSA-N 1 3 358.486 0.978 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000419902598 246359649 /nfs/dbraw/zinc/35/96/49/246359649.db2.gz WDZGYJLJRQGLFG-UHFFFAOYSA-N 1 3 374.407 0.931 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419962991 246389763 /nfs/dbraw/zinc/38/97/63/246389763.db2.gz VTHJYJQWCGJYSZ-PMPSAXMXSA-N 1 3 368.522 0.435 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419999756 246409936 /nfs/dbraw/zinc/40/99/36/246409936.db2.gz SLNSXGBHVLAJEE-DOTOQJQBSA-N 1 3 361.490 0.748 20 0 FCADHO CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000420192860 246523222 /nfs/dbraw/zinc/52/32/22/246523222.db2.gz INYGPOCKJLTKHF-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423057878 246954642 /nfs/dbraw/zinc/95/46/42/246954642.db2.gz IHCMXJYPADPNQH-OKZBNKHCSA-N 1 3 358.486 0.882 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423057877 246955561 /nfs/dbraw/zinc/95/55/61/246955561.db2.gz IHCMXJYPADPNQH-FGTMMUONSA-N 1 3 358.486 0.882 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[C@@H]1[NH3+] ZINC000423361482 247011589 /nfs/dbraw/zinc/01/15/89/247011589.db2.gz GYENPINVYJZSEK-ZFWWWQNUSA-N 1 3 352.504 0.834 20 0 FCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423417547 247022808 /nfs/dbraw/zinc/02/28/08/247022808.db2.gz SQNFTCYKZSXMSE-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423583886 247063103 /nfs/dbraw/zinc/06/31/03/247063103.db2.gz BKBNINJWINAEAH-GOSISDBHSA-N 1 3 364.515 0.850 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000423477047 247034617 /nfs/dbraw/zinc/03/46/17/247034617.db2.gz KXPMXRMVLLLWHA-INIZCTEOSA-N 1 3 362.474 0.393 20 0 FCADHO CCOC(=O)[C@H]1NCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423522844 247041081 /nfs/dbraw/zinc/04/10/81/247041081.db2.gz HSNTUEYFDLZHOD-ROUUACIJSA-N 1 3 360.502 0.863 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423607661 247072243 /nfs/dbraw/zinc/07/22/43/247072243.db2.gz JULWWLMVEHYZDJ-DZGCQCFKSA-N 1 3 352.504 0.834 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423612220 247074251 /nfs/dbraw/zinc/07/42/51/247074251.db2.gz PELXAFVCFJNBPG-HNNXBMFYSA-N 1 3 352.504 0.849 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423619181 247079005 /nfs/dbraw/zinc/07/90/05/247079005.db2.gz HZOKJOFNTWYXRC-HZPDHXFCSA-N 1 3 354.495 0.286 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1CN ZINC000423716516 247122091 /nfs/dbraw/zinc/12/20/91/247122091.db2.gz AAUWWCHULNWFNF-DJIMGWMZSA-N 1 3 350.507 0.763 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)[C@@H]2C1 ZINC000425405942 247337145 /nfs/dbraw/zinc/33/71/45/247337145.db2.gz RRAXVQOYXCPTOQ-OKZBNKHCSA-N 1 3 362.518 0.729 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)[C@@H]2C1 ZINC000425405942 247337148 /nfs/dbraw/zinc/33/71/48/247337148.db2.gz RRAXVQOYXCPTOQ-OKZBNKHCSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@@H]2C1 ZINC000425672588 247360938 /nfs/dbraw/zinc/36/09/38/247360938.db2.gz KYINAJHOPJJICM-ZWKOTPCHSA-N 1 3 367.538 0.112 20 0 FCADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@@H]2C1 ZINC000425672588 247360942 /nfs/dbraw/zinc/36/09/42/247360942.db2.gz KYINAJHOPJJICM-ZWKOTPCHSA-N 1 3 367.538 0.112 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576764 247708931 /nfs/dbraw/zinc/70/89/31/247708931.db2.gz XOGLKEBPEHFTDP-OLZOCXBDSA-N 1 3 354.476 0.722 20 0 FCADHO CCn1ccnc1CN(C(=O)C(C)S(C)(=O)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435562186 248000386 /nfs/dbraw/zinc/00/03/86/248000386.db2.gz CJMMFDQHPOXHIK-KBPBESRZSA-N 1 3 368.503 0.807 20 0 FCADHO COCCO[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436132237 248033100 /nfs/dbraw/zinc/03/31/00/248033100.db2.gz SPRFWGWAAGCYIH-GOSISDBHSA-N 1 3 368.522 0.992 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(OCC[NH+](C)C)c3)C[C@H]21 ZINC000453926701 249388878 /nfs/dbraw/zinc/38/88/78/249388878.db2.gz KKPJJHHUSVSTHI-WMLDXEAASA-N 1 3 360.458 0.728 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270705261 211252384 /nfs/dbraw/zinc/25/23/84/211252384.db2.gz JNSSXKUIZABNQW-UHFFFAOYSA-N 1 3 367.494 0.790 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270705261 211252379 /nfs/dbraw/zinc/25/23/79/211252379.db2.gz JNSSXKUIZABNQW-UHFFFAOYSA-N 1 3 367.494 0.790 20 0 FCADHO CN(Cc1ccc(C[N@H+](C)CC(C)(CO)CO)cc1)CC(C)(CO)CO ZINC000270366090 211191421 /nfs/dbraw/zinc/19/14/21/211191421.db2.gz ZICSZFYCHQTJBP-UHFFFAOYSA-N 1 3 368.518 0.532 20 0 FCADHO CN(Cc1ccc(C[N@@H+](C)CC(C)(CO)CO)cc1)CC(C)(CO)CO ZINC000270366090 211191426 /nfs/dbraw/zinc/19/14/26/211191426.db2.gz ZICSZFYCHQTJBP-UHFFFAOYSA-N 1 3 368.518 0.532 20 0 FCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1 ZINC000471076597 250089854 /nfs/dbraw/zinc/08/98/54/250089854.db2.gz WHWYWUIARFWOSM-MRXNPFEDSA-N 1 3 350.463 0.506 20 0 FCADHO C[NH+](C)CCOCCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000471651713 250112995 /nfs/dbraw/zinc/11/29/95/250112995.db2.gz GPVYCILMTGWFFR-SFHVURJKSA-N 1 3 364.490 0.631 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000472172572 250136137 /nfs/dbraw/zinc/13/61/37/250136137.db2.gz OJAOKJIIYDNBTP-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000480886906 250293233 /nfs/dbraw/zinc/29/32/33/250293233.db2.gz VPNATHGBKDTDEO-MRXNPFEDSA-N 1 3 370.538 0.650 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000480886906 250293235 /nfs/dbraw/zinc/29/32/35/250293235.db2.gz VPNATHGBKDTDEO-MRXNPFEDSA-N 1 3 370.538 0.650 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000481804352 250361383 /nfs/dbraw/zinc/36/13/83/250361383.db2.gz DYGWZEYIVWARJT-WBTNSWJXSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000481804352 250361386 /nfs/dbraw/zinc/36/13/86/250361386.db2.gz DYGWZEYIVWARJT-WBTNSWJXSA-N 1 3 350.507 0.822 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867649 208288261 /nfs/dbraw/zinc/28/82/61/208288261.db2.gz JEUHVLZQWGWKNV-ROUUACIJSA-N 1 3 367.538 0.519 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867649 208288267 /nfs/dbraw/zinc/28/82/67/208288267.db2.gz JEUHVLZQWGWKNV-ROUUACIJSA-N 1 3 367.538 0.519 20 0 FCADHO CC(C)N1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000114789167 208317917 /nfs/dbraw/zinc/31/79/17/208317917.db2.gz SQSGYRYJTLLGAL-QGZVFWFLSA-N 1 3 365.522 0.854 20 0 FCADHO COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000412569820 533092278 /nfs/dbraw/zinc/09/22/78/533092278.db2.gz INCYNCJKWAPMHM-KRWDZBQOSA-N 1 3 362.474 0.964 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000177468311 209025984 /nfs/dbraw/zinc/02/59/84/209025984.db2.gz MAXKCJHDRFSGLC-HNNXBMFYSA-N 1 3 363.506 0.608 20 0 FCADHO Cc1noc(C)c1S(=O)(=O)N1CCCN(CC2CC[NH2+]CC2)CC1 ZINC000178956603 209066842 /nfs/dbraw/zinc/06/68/42/209066842.db2.gz ASJNQAHVAKUAKM-UHFFFAOYSA-N 1 3 356.492 0.987 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410432866 230077275 /nfs/dbraw/zinc/07/72/75/230077275.db2.gz KNTLUIUWQISHCP-CVEARBPZSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000410466549 230089669 /nfs/dbraw/zinc/08/96/69/230089669.db2.gz IZIZCYICTGPOLK-IRXDYDNUSA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000410494331 230101658 /nfs/dbraw/zinc/10/16/58/230101658.db2.gz PXCGSPQMEPXTTM-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410497134 230103485 /nfs/dbraw/zinc/10/34/85/230103485.db2.gz IKGVANUUOTYHOS-QGZVFWFLSA-N 1 3 368.522 0.213 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCC1 ZINC000410537621 230129698 /nfs/dbraw/zinc/12/96/98/230129698.db2.gz IAERPOOPXGTDQY-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699587 488895197 /nfs/dbraw/zinc/89/51/97/488895197.db2.gz UHMUAWXRBXBXSQ-AEFFLSMTSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699587 488895198 /nfs/dbraw/zinc/89/51/98/488895198.db2.gz UHMUAWXRBXBXSQ-AEFFLSMTSA-N 1 3 358.486 0.835 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000327627816 488919954 /nfs/dbraw/zinc/91/99/54/488919954.db2.gz OHQSWDHTOQQOHR-CQSZACIVSA-N 1 3 358.442 0.460 20 0 FCADHO C[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)CN1CCN(C)CC1 ZINC000562803659 491190582 /nfs/dbraw/zinc/19/05/82/491190582.db2.gz DAMPAUWRVGNKIT-NZSAHSFTSA-N 1 3 359.518 0.925 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)CC1 ZINC000050799293 488114682 /nfs/dbraw/zinc/11/46/82/488114682.db2.gz BFGROSSNQDJHOR-MRXNPFEDSA-N 1 3 372.535 0.085 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)N3CCCC3)CC2)CC1 ZINC000051758984 488143586 /nfs/dbraw/zinc/14/35/86/488143586.db2.gz SCRMVGTUFMJLOV-UHFFFAOYSA-N 1 3 351.495 0.467 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000288288639 488966172 /nfs/dbraw/zinc/96/61/72/488966172.db2.gz VSEPSAQTYUJXKS-UHFFFAOYSA-N 1 3 368.478 0.254 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000288288639 488966174 /nfs/dbraw/zinc/96/61/74/488966174.db2.gz VSEPSAQTYUJXKS-UHFFFAOYSA-N 1 3 368.478 0.254 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327390 488384408 /nfs/dbraw/zinc/38/44/08/488384408.db2.gz GTJPGPYSTOCVAH-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N1CCN(C)CC1 ZINC000074008863 488387167 /nfs/dbraw/zinc/38/71/67/488387167.db2.gz LOMDNDLZWSPHQP-QGZVFWFLSA-N 1 3 369.554 0.668 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000074345431 488390917 /nfs/dbraw/zinc/39/09/17/488390917.db2.gz NUGNOUBKNDEWBF-SJORKVTESA-N 1 3 367.538 0.993 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000074345431 488390919 /nfs/dbraw/zinc/39/09/19/488390919.db2.gz NUGNOUBKNDEWBF-SJORKVTESA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185735823 488402205 /nfs/dbraw/zinc/40/22/05/488402205.db2.gz WCWNXMMXVRCNQD-INIZCTEOSA-N 1 3 355.527 0.422 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000185863978 488402969 /nfs/dbraw/zinc/40/29/69/488402969.db2.gz RLKXKQDHXSJZPI-QGZVFWFLSA-N 1 3 361.538 0.344 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000076971782 488407987 /nfs/dbraw/zinc/40/79/87/488407987.db2.gz LDWCZHKLHFNVRK-JKSUJKDBSA-N 1 3 351.495 0.357 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000076971782 488407988 /nfs/dbraw/zinc/40/79/88/488407988.db2.gz LDWCZHKLHFNVRK-JKSUJKDBSA-N 1 3 351.495 0.357 20 0 FCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000077836427 488418564 /nfs/dbraw/zinc/41/85/64/488418564.db2.gz QYCPFKCYYQWCRW-JKSUJKDBSA-N 1 3 355.527 0.911 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000192646921 488423387 /nfs/dbraw/zinc/42/33/87/488423387.db2.gz WSODLBXCWVKWEY-OAHLLOKOSA-N 1 3 357.524 0.634 20 0 FCADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(=O)N1CCOCC1 ZINC000192789310 488424104 /nfs/dbraw/zinc/42/41/04/488424104.db2.gz VDAMMYNMOOJIBG-GOSISDBHSA-N 1 3 354.539 0.876 20 0 FCADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(=O)N1CCOCC1 ZINC000192789297 488424239 /nfs/dbraw/zinc/42/42/39/488424239.db2.gz VDAMMYNMOOJIBG-SFHVURJKSA-N 1 3 354.539 0.876 20 0 FCADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269279708 488486001 /nfs/dbraw/zinc/48/60/01/488486001.db2.gz ZYZVQFOUGGWQEI-NVXWUHKLSA-N 1 3 351.422 0.508 20 0 FCADHO C[C@H]1C[N@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000097727423 488493504 /nfs/dbraw/zinc/49/35/04/488493504.db2.gz RDWVPXZIZWWJIL-IBGZPJMESA-N 1 3 354.539 0.437 20 0 FCADHO C[C@H]1C[N@@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000097727423 488493505 /nfs/dbraw/zinc/49/35/05/488493505.db2.gz RDWVPXZIZWWJIL-IBGZPJMESA-N 1 3 354.539 0.437 20 0 FCADHO COCCN(C)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248446651 488496700 /nfs/dbraw/zinc/49/67/00/488496700.db2.gz NCJVTBRFHJJWAU-GOSISDBHSA-N 1 3 364.490 0.631 20 0 FCADHO COCCN(C)CCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248446651 488496702 /nfs/dbraw/zinc/49/67/02/488496702.db2.gz NCJVTBRFHJJWAU-GOSISDBHSA-N 1 3 364.490 0.631 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103211428 488499944 /nfs/dbraw/zinc/49/99/44/488499944.db2.gz MBQBNHRJTMTBJT-IYBDPMFKSA-N 1 3 366.506 0.504 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000103306749 488500776 /nfs/dbraw/zinc/50/07/76/488500776.db2.gz MJCHCJJJOVOKSA-MRXNPFEDSA-N 1 3 363.506 0.420 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000103306749 488500779 /nfs/dbraw/zinc/50/07/79/488500779.db2.gz MJCHCJJJOVOKSA-MRXNPFEDSA-N 1 3 363.506 0.420 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000103212430 488500862 /nfs/dbraw/zinc/50/08/62/488500862.db2.gz KFUVUROQNZDRMP-INIZCTEOSA-N 1 3 361.490 0.382 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000103600528 488502347 /nfs/dbraw/zinc/50/23/47/488502347.db2.gz BJHJTFOPNFVZNF-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000105223236 488507983 /nfs/dbraw/zinc/50/79/83/488507983.db2.gz CJSNURMNNHYZTD-MRXNPFEDSA-N 1 3 353.511 0.570 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000249380855 488509625 /nfs/dbraw/zinc/50/96/25/488509625.db2.gz QJSPJHXWGNIWKB-GOEBONIOSA-N 1 3 352.479 0.311 20 0 FCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000554462043 491204187 /nfs/dbraw/zinc/20/41/87/491204187.db2.gz UGMJRGQCSLJDJW-INMHGKMJSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000554462043 491204189 /nfs/dbraw/zinc/20/41/89/491204189.db2.gz UGMJRGQCSLJDJW-INMHGKMJSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115816794 488545680 /nfs/dbraw/zinc/54/56/80/488545680.db2.gz FAJDOKIZPSAGPY-IAGOWNOFSA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115816794 488545682 /nfs/dbraw/zinc/54/56/82/488545682.db2.gz FAJDOKIZPSAGPY-IAGOWNOFSA-N 1 3 367.538 0.912 20 0 FCADHO CNS(=O)(=O)c1ccccc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262257844 488560199 /nfs/dbraw/zinc/56/01/99/488560199.db2.gz QWZJQFJLXRDZLN-UHFFFAOYSA-N 1 3 352.504 0.716 20 0 FCADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CC2(CO)COC2)CC1 ZINC000120272209 488560608 /nfs/dbraw/zinc/56/06/08/488560608.db2.gz RQIBDTFAJKRTMF-UHFFFAOYSA-N 1 3 353.507 0.700 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000262637598 488583654 /nfs/dbraw/zinc/58/36/54/488583654.db2.gz QFZUWASOWOVTJW-IXDOHACOSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263265326 488608585 /nfs/dbraw/zinc/60/85/85/488608585.db2.gz UZJWCOOIGUPXFP-DAYGRLMNSA-N 1 3 368.522 0.434 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263265326 488608587 /nfs/dbraw/zinc/60/85/87/488608587.db2.gz UZJWCOOIGUPXFP-DAYGRLMNSA-N 1 3 368.522 0.434 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000129172049 488629347 /nfs/dbraw/zinc/62/93/47/488629347.db2.gz GIKLFIOLSDDTTE-QGZVFWFLSA-N 1 3 352.523 0.630 20 0 FCADHO COc1cc(F)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000130586782 488638816 /nfs/dbraw/zinc/63/88/16/488638816.db2.gz NCNAPCOYKVCKNZ-UHFFFAOYSA-N 1 3 372.416 0.864 20 0 FCADHO CN(C)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000133641563 488660885 /nfs/dbraw/zinc/66/08/85/488660885.db2.gz XYQKHDPQQNSTQX-KRWDZBQOSA-N 1 3 361.490 0.745 20 0 FCADHO CN(C)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000133641563 488660886 /nfs/dbraw/zinc/66/08/86/488660886.db2.gz XYQKHDPQQNSTQX-KRWDZBQOSA-N 1 3 361.490 0.745 20 0 FCADHO CC[NH+](CC)CCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000136247259 488677265 /nfs/dbraw/zinc/67/72/65/488677265.db2.gz JQAADNHUXCEMGE-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000136387787 488677711 /nfs/dbraw/zinc/67/77/11/488677711.db2.gz SAHDLHBKJGKSDI-INIZCTEOSA-N 1 3 351.495 0.419 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000138616499 488682691 /nfs/dbraw/zinc/68/26/91/488682691.db2.gz KSLBYWIPKQYZSP-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000138616499 488682694 /nfs/dbraw/zinc/68/26/94/488682694.db2.gz KSLBYWIPKQYZSP-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000139958264 488686295 /nfs/dbraw/zinc/68/62/95/488686295.db2.gz FBLKFSBBCGZASQ-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000139958264 488686297 /nfs/dbraw/zinc/68/62/97/488686297.db2.gz FBLKFSBBCGZASQ-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000554630648 491214078 /nfs/dbraw/zinc/21/40/78/491214078.db2.gz XOCRAVTWUUXIRM-HNNXBMFYSA-N 1 3 350.507 0.991 20 0 FCADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000152369414 488716513 /nfs/dbraw/zinc/71/65/13/488716513.db2.gz BBUHJNIFTGREEO-KRWDZBQOSA-N 1 3 360.506 0.789 20 0 FCADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152369414 488716516 /nfs/dbraw/zinc/71/65/16/488716516.db2.gz BBUHJNIFTGREEO-KRWDZBQOSA-N 1 3 360.506 0.789 20 0 FCADHO CSC[C@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154329898 488741409 /nfs/dbraw/zinc/74/14/09/488741409.db2.gz LLNHODITBQUHBO-HNNXBMFYSA-N 1 3 358.552 0.958 20 0 FCADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)CN1CCN(C)CC1 ZINC000174918417 488852079 /nfs/dbraw/zinc/85/20/79/488852079.db2.gz TVXOJPIMMPJSNH-INIZCTEOSA-N 1 3 355.527 0.280 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280960262 489043972 /nfs/dbraw/zinc/04/39/72/489043972.db2.gz YRQYKJVHFGEEBU-XLIONFOSSA-N 1 3 358.486 0.984 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCO1 ZINC000365473335 489078732 /nfs/dbraw/zinc/07/87/32/489078732.db2.gz ZXTKVPYTVIIKRV-IKGGRYGDSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCO1 ZINC000365473335 489078736 /nfs/dbraw/zinc/07/87/36/489078736.db2.gz ZXTKVPYTVIIKRV-IKGGRYGDSA-N 1 3 354.495 0.650 20 0 FCADHO CO[C@@H](CN)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000290279954 489127370 /nfs/dbraw/zinc/12/73/70/489127370.db2.gz ZKWUWDYFYZXRKW-KRWDZBQOSA-N 1 3 350.463 0.249 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000555040610 491236202 /nfs/dbraw/zinc/23/62/02/491236202.db2.gz SSDBGPBFMOPPDF-AWEZNQCLSA-N 1 3 364.494 0.933 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000555040610 491236203 /nfs/dbraw/zinc/23/62/03/491236203.db2.gz SSDBGPBFMOPPDF-AWEZNQCLSA-N 1 3 364.494 0.933 20 0 FCADHO COCCNCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366326616 489171488 /nfs/dbraw/zinc/17/14/88/489171488.db2.gz RBKXMFQXOTZBIK-UHFFFAOYSA-N 1 3 354.539 0.877 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331449715 489213395 /nfs/dbraw/zinc/21/33/95/489213395.db2.gz YZFPJJBYEFCKHJ-XHSDSOJGSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331449715 489213397 /nfs/dbraw/zinc/21/33/97/489213397.db2.gz YZFPJJBYEFCKHJ-XHSDSOJGSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524085 489248523 /nfs/dbraw/zinc/24/85/23/489248523.db2.gz ZMQKFPDWKZERAH-IRXDYDNUSA-N 1 3 367.538 0.422 20 0 FCADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)CN1CCOCC1 ZINC000369524085 489248525 /nfs/dbraw/zinc/24/85/25/489248525.db2.gz ZMQKFPDWKZERAH-IRXDYDNUSA-N 1 3 367.538 0.422 20 0 FCADHO C[C@@H](CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)CN1CCOCC1 ZINC000369524085 489248527 /nfs/dbraw/zinc/24/85/27/489248527.db2.gz ZMQKFPDWKZERAH-IRXDYDNUSA-N 1 3 367.538 0.422 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000333003137 489255497 /nfs/dbraw/zinc/25/54/97/489255497.db2.gz LOJFFWLTJMITDR-IXDOHACOSA-N 1 3 354.495 0.336 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000298034889 489280256 /nfs/dbraw/zinc/28/02/56/489280256.db2.gz ODLCSBUCBKIEGL-MRXNPFEDSA-N 1 3 364.490 0.970 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000298034889 489280257 /nfs/dbraw/zinc/28/02/57/489280257.db2.gz ODLCSBUCBKIEGL-MRXNPFEDSA-N 1 3 364.490 0.970 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000369881669 489286705 /nfs/dbraw/zinc/28/67/05/489286705.db2.gz HTGHBFHKRKXHHO-HZPDHXFCSA-N 1 3 366.506 0.014 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1=O ZINC000370473937 489364386 /nfs/dbraw/zinc/36/43/86/489364386.db2.gz TZKRMOOWAFNNJU-JOCBIADPSA-N 1 3 362.518 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1=O ZINC000370473937 489364388 /nfs/dbraw/zinc/36/43/88/489364388.db2.gz TZKRMOOWAFNNJU-JOCBIADPSA-N 1 3 362.518 0.918 20 0 FCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CC(C)(C)O)CC3)C2)CC1 ZINC000370530335 489371018 /nfs/dbraw/zinc/37/10/18/489371018.db2.gz CVOXEXYFYHHKLO-MRXNPFEDSA-N 1 3 367.538 0.253 20 0 FCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CC(C)(C)O)CC3)C2)CC1 ZINC000370530335 489371022 /nfs/dbraw/zinc/37/10/22/489371022.db2.gz CVOXEXYFYHHKLO-MRXNPFEDSA-N 1 3 367.538 0.253 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(CC(C)(C)O)CC3)C2)CC1 ZINC000370530335 489371026 /nfs/dbraw/zinc/37/10/26/489371026.db2.gz CVOXEXYFYHHKLO-MRXNPFEDSA-N 1 3 367.538 0.253 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000286382473 489385548 /nfs/dbraw/zinc/38/55/48/489385548.db2.gz CHCRIRRSPVARBG-HNNXBMFYSA-N 1 3 360.502 0.658 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000563504670 491251702 /nfs/dbraw/zinc/25/17/02/491251702.db2.gz UNFRUYNNYQUJAN-INIZCTEOSA-N 1 3 365.526 0.524 20 0 FCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617438 491258827 /nfs/dbraw/zinc/25/88/27/491258827.db2.gz DRRPTNAXOUCQED-AKHDSKFASA-N 1 3 356.555 0.320 20 0 FCADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CCN1C(=O)CNC1=O ZINC000371157738 489458323 /nfs/dbraw/zinc/45/83/23/489458323.db2.gz OREAEEXYVNJRJL-UHFFFAOYSA-N 1 3 365.522 0.666 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(CCOC)C2)CC1=O ZINC000363394465 489462294 /nfs/dbraw/zinc/46/22/94/489462294.db2.gz AQJOZIUNCKAYNK-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(CCOC)C2)CC1=O ZINC000363394465 489462296 /nfs/dbraw/zinc/46/22/96/489462296.db2.gz AQJOZIUNCKAYNK-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000371527938 489486981 /nfs/dbraw/zinc/48/69/81/489486981.db2.gz YQENHUCITYOZGQ-FGTMMUONSA-N 1 3 358.486 0.611 20 0 FCADHO CCN1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000371558159 489488131 /nfs/dbraw/zinc/48/81/31/489488131.db2.gz PIELFGUUAUCHCW-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000371558159 489488132 /nfs/dbraw/zinc/48/81/32/489488132.db2.gz PIELFGUUAUCHCW-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423163321 489498295 /nfs/dbraw/zinc/49/82/95/489498295.db2.gz MOZZKHLQOCIATO-QGZVFWFLSA-N 1 3 361.490 0.572 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423170282 489498960 /nfs/dbraw/zinc/49/89/60/489498960.db2.gz XRQBEHOMVBJRTN-ZWKOTPCHSA-N 1 3 373.501 0.715 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423170436 489499620 /nfs/dbraw/zinc/49/96/20/489499620.db2.gz LWODEUJRAQPREF-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C[C@H]1[NH3+] ZINC000423201998 489502240 /nfs/dbraw/zinc/50/22/40/489502240.db2.gz JZNVAHVGGZFCAY-MLGOLLRUSA-N 1 3 368.428 0.661 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000423209499 489502739 /nfs/dbraw/zinc/50/27/39/489502739.db2.gz UXHPXTNPMFIIAY-MRXNPFEDSA-N 1 3 350.438 0.536 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423272836 489509996 /nfs/dbraw/zinc/50/99/96/489509996.db2.gz ZNUMCGJSNKXGNR-JKSUJKDBSA-N 1 3 356.511 0.389 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000423282280 489511524 /nfs/dbraw/zinc/51/15/24/489511524.db2.gz WJBUAWDRFPBOQC-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CN1CC[NH+](CC2(C)CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000371822500 489513880 /nfs/dbraw/zinc/51/38/80/489513880.db2.gz KYQHFYPSYLZHOJ-UHFFFAOYSA-N 1 3 365.522 0.666 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415373557 489515949 /nfs/dbraw/zinc/51/59/49/489515949.db2.gz WSYJDLVUEYNJNX-UHFFFAOYSA-N 1 3 364.515 0.942 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415449284 489522469 /nfs/dbraw/zinc/52/24/69/489522469.db2.gz IJAXBZBLXNTTOM-CQSZACIVSA-N 1 3 354.426 0.804 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CC1 ZINC000415539519 489528074 /nfs/dbraw/zinc/52/80/74/489528074.db2.gz MJPPXFREVUUPRB-KRWDZBQOSA-N 1 3 359.474 0.621 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115697 489547189 /nfs/dbraw/zinc/54/71/89/489547189.db2.gz IPKHZQHPDITWDR-WMZOPIPTSA-N 1 3 352.523 0.772 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115697 489547191 /nfs/dbraw/zinc/54/71/91/489547191.db2.gz IPKHZQHPDITWDR-WMZOPIPTSA-N 1 3 352.523 0.772 20 0 FCADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000415870550 489562053 /nfs/dbraw/zinc/56/20/53/489562053.db2.gz TVRBGFPMFSMRMG-MAUKXSAKSA-N 1 3 374.485 0.962 20 0 FCADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CNCCO3)cc2)C1 ZINC000415870550 489562055 /nfs/dbraw/zinc/56/20/55/489562055.db2.gz TVRBGFPMFSMRMG-MAUKXSAKSA-N 1 3 374.485 0.962 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416005278 489567349 /nfs/dbraw/zinc/56/73/49/489567349.db2.gz JMHZBSYIXHFZHN-CHWSQXEVSA-N 1 3 353.433 0.839 20 0 FCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000563626238 491259043 /nfs/dbraw/zinc/25/90/43/491259043.db2.gz WHKUGTJTGLHVSY-KRWDZBQOSA-N 1 3 374.466 0.749 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426550021 489574591 /nfs/dbraw/zinc/57/45/91/489574591.db2.gz VNRGSMIUZXRKLY-HZPDHXFCSA-N 1 3 354.495 0.120 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccccc1F ZINC000555708066 491267116 /nfs/dbraw/zinc/26/71/16/491267116.db2.gz FUNXHIBHPLWYDX-UHFFFAOYSA-N 1 3 352.454 0.436 20 0 FCADHO CC1CCN(CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417008078 489637943 /nfs/dbraw/zinc/63/79/43/489637943.db2.gz ICUQVMDKEIZVMI-MRXNPFEDSA-N 1 3 353.511 0.747 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC1=O ZINC000428543956 489652916 /nfs/dbraw/zinc/65/29/16/489652916.db2.gz IWBWCWZCPYSBOU-AEFFLSMTSA-N 1 3 374.485 0.602 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417582719 489658850 /nfs/dbraw/zinc/65/88/50/489658850.db2.gz JFDFSSLUYKBHEK-KBPBESRZSA-N 1 3 365.444 0.996 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417753361 489664566 /nfs/dbraw/zinc/66/45/66/489664566.db2.gz OLKPJLPTMCDJGY-SJORKVTESA-N 1 3 356.511 0.883 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417798818 489665712 /nfs/dbraw/zinc/66/57/12/489665712.db2.gz ASYSMOPKLJMLCZ-UHFFFAOYSA-N 1 3 355.527 0.470 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458193289 489673435 /nfs/dbraw/zinc/67/34/35/489673435.db2.gz FPGCPXRHDCMVGD-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458193289 489673437 /nfs/dbraw/zinc/67/34/37/489673437.db2.gz FPGCPXRHDCMVGD-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418075437 489678116 /nfs/dbraw/zinc/67/81/16/489678116.db2.gz PRDZSWWQLDJBCG-KRWDZBQOSA-N 1 3 350.463 0.240 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418360634 489693608 /nfs/dbraw/zinc/69/36/08/489693608.db2.gz GFRWTEXJRWJFNC-INIZCTEOSA-N 1 3 361.490 0.821 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCN2CCCO)CCCO1 ZINC000458709372 489696861 /nfs/dbraw/zinc/69/68/61/489696861.db2.gz CSLVSFRGSVGOHX-IAGOWNOFSA-N 1 3 356.511 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCN2CCCO)CCCO1 ZINC000458709372 489696867 /nfs/dbraw/zinc/69/68/67/489696867.db2.gz CSLVSFRGSVGOHX-IAGOWNOFSA-N 1 3 356.511 0.633 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418557676 489706793 /nfs/dbraw/zinc/70/67/93/489706793.db2.gz WVWYCBKQLVATTE-GOSISDBHSA-N 1 3 353.511 0.572 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418676769 489717395 /nfs/dbraw/zinc/71/73/95/489717395.db2.gz ZTHXZDNAUIYNAX-AEFFLSMTSA-N 1 3 367.538 0.862 20 0 FCADHO CCO[C@@H]1COC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459119816 489718693 /nfs/dbraw/zinc/71/86/93/489718693.db2.gz NWHSQJWKBVQFBZ-BRWVUGGUSA-N 1 3 356.511 0.848 20 0 FCADHO CCO[C@@H]1COC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459119816 489718696 /nfs/dbraw/zinc/71/86/96/489718696.db2.gz NWHSQJWKBVQFBZ-BRWVUGGUSA-N 1 3 356.511 0.848 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459152760 489720688 /nfs/dbraw/zinc/72/06/88/489720688.db2.gz JDRBWOSGGXZIAK-QGZVFWFLSA-N 1 3 365.522 0.809 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459152760 489720692 /nfs/dbraw/zinc/72/06/92/489720692.db2.gz JDRBWOSGGXZIAK-QGZVFWFLSA-N 1 3 365.522 0.809 20 0 FCADHO Cn1c2ncn(CCN(CCC[NH3+])CC3CCCC3)c2c(=O)n(C)c1=O ZINC000489856319 489731949 /nfs/dbraw/zinc/73/19/49/489731949.db2.gz JVKWYPSJSCBKOH-UHFFFAOYSA-N 1 3 362.478 0.275 20 0 FCADHO Cn1c2ncn(CC[N@H+](CCCN)CC3CCCC3)c2c(=O)n(C)c1=O ZINC000489856319 489731951 /nfs/dbraw/zinc/73/19/51/489731951.db2.gz JVKWYPSJSCBKOH-UHFFFAOYSA-N 1 3 362.478 0.275 20 0 FCADHO Cn1c2ncn(CC[N@@H+](CCCN)CC3CCCC3)c2c(=O)n(C)c1=O ZINC000489856319 489731956 /nfs/dbraw/zinc/73/19/56/489731956.db2.gz JVKWYPSJSCBKOH-UHFFFAOYSA-N 1 3 362.478 0.275 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000430571653 489747246 /nfs/dbraw/zinc/74/72/46/489747246.db2.gz OQCBZBAGZOPEAU-CYBMUJFWSA-N 1 3 350.467 0.129 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000570991089 491278651 /nfs/dbraw/zinc/27/86/51/491278651.db2.gz TXQDWFYYGDVKCC-IAGOWNOFSA-N 1 3 350.507 0.779 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000474313370 489753896 /nfs/dbraw/zinc/75/38/96/489753896.db2.gz BVUXRRDIUNETSR-UHFFFAOYSA-N 1 3 370.497 0.755 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@@H]1C[NH3+] ZINC000418856947 489760255 /nfs/dbraw/zinc/76/02/55/489760255.db2.gz XXONSULOAYHVRN-BPQIPLTHSA-N 1 3 360.502 0.861 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430711091 489766088 /nfs/dbraw/zinc/76/60/88/489766088.db2.gz VNHIGJYIAOZXAB-UHFFFAOYSA-N 1 3 364.494 0.822 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000418874526 489768659 /nfs/dbraw/zinc/76/86/59/489768659.db2.gz ZYVWTTYIAWOXNA-CVEARBPZSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418881646 489773570 /nfs/dbraw/zinc/77/35/70/489773570.db2.gz XSXAFXYKDVYDMW-ROUUACIJSA-N 1 3 360.502 0.781 20 0 FCADHO C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)CCN(C)C)CC2)C[C@H](C)O1 ZINC000459891307 489782692 /nfs/dbraw/zinc/78/26/92/489782692.db2.gz BBJJZYCOHJSNQN-HOTGVXAUSA-N 1 3 368.522 0.354 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459894669 489783867 /nfs/dbraw/zinc/78/38/67/489783867.db2.gz IRJXHCQFHHXCQF-OALUTQOASA-N 1 3 372.513 0.987 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000459894669 489783869 /nfs/dbraw/zinc/78/38/69/489783869.db2.gz IRJXHCQFHHXCQF-OALUTQOASA-N 1 3 372.513 0.987 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418929600 489794330 /nfs/dbraw/zinc/79/43/30/489794330.db2.gz CVDRYFWMUOQTJQ-UHFFFAOYSA-N 1 3 368.522 0.642 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@@H+]1C ZINC000418942233 489798427 /nfs/dbraw/zinc/79/84/27/489798427.db2.gz ASEKDJQJENSZHO-NKKGCODLSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@H+]1C ZINC000418942233 489798431 /nfs/dbraw/zinc/79/84/31/489798431.db2.gz ASEKDJQJENSZHO-NKKGCODLSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941815 489798769 /nfs/dbraw/zinc/79/87/69/489798769.db2.gz WKSRAIILFADLQZ-HZPDHXFCSA-N 1 3 368.522 0.988 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N(C)Cc1ccccc1 ZINC000418955609 489803163 /nfs/dbraw/zinc/80/31/63/489803163.db2.gz XZJMDZNRMSLZHW-BPQIPLTHSA-N 1 3 358.486 0.691 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@@H+]1C ZINC000418970104 489807484 /nfs/dbraw/zinc/80/74/84/489807484.db2.gz WCHDMDIFSBTAKO-RPCCPQHDSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@H+]1C ZINC000418970104 489807487 /nfs/dbraw/zinc/80/74/87/489807487.db2.gz WCHDMDIFSBTAKO-RPCCPQHDSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005017 489815522 /nfs/dbraw/zinc/81/55/22/489815522.db2.gz RKUHUFALVYBTFC-CABCVRRESA-N 1 3 354.495 0.454 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419024773 489822768 /nfs/dbraw/zinc/82/27/68/489822768.db2.gz LANVJDDPBJQJSA-ZHCJQAHYSA-N 1 3 350.507 0.727 20 0 FCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419034446 489827796 /nfs/dbraw/zinc/82/77/96/489827796.db2.gz MZQUDAIZGWIJNM-OAHLLOKOSA-N 1 3 368.547 0.804 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419038927 489829003 /nfs/dbraw/zinc/82/90/03/489829003.db2.gz ULIWIFFMHPVHHK-HNNXBMFYSA-N 1 3 368.547 0.723 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419073854 489846501 /nfs/dbraw/zinc/84/65/01/489846501.db2.gz CXUKXUBKWHPTPE-BZUAXINKSA-N 1 3 354.495 0.332 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1cccc(OC)c1 ZINC000419081772 489848972 /nfs/dbraw/zinc/84/89/72/489848972.db2.gz OWDFNWMZIYGKHG-KRWDZBQOSA-N 1 3 362.474 0.530 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000460264113 489859083 /nfs/dbraw/zinc/85/90/83/489859083.db2.gz VZLUETOURVPOLY-IBGZPJMESA-N 1 3 364.490 0.883 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000476041182 489863971 /nfs/dbraw/zinc/86/39/71/489863971.db2.gz LGFKQSGVQLRWIF-SFHVURJKSA-N 1 3 369.554 0.502 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000476041182 489863973 /nfs/dbraw/zinc/86/39/73/489863973.db2.gz LGFKQSGVQLRWIF-SFHVURJKSA-N 1 3 369.554 0.502 20 0 FCADHO CN1CCN(c2ncccc2CNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433166275 489869572 /nfs/dbraw/zinc/86/95/72/489869572.db2.gz XGCZYOSVFBFDPL-UHFFFAOYSA-N 1 3 374.533 0.653 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000494192839 489874517 /nfs/dbraw/zinc/87/45/17/489874517.db2.gz UJRPLHDLXXKAKY-JKSUJKDBSA-N 1 3 364.494 0.944 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993320 489875578 /nfs/dbraw/zinc/87/55/78/489875578.db2.gz FBRGOAMOFKOWJA-KBAYOESNSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993320 489875583 /nfs/dbraw/zinc/87/55/83/489875583.db2.gz FBRGOAMOFKOWJA-KBAYOESNSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419995802 489876336 /nfs/dbraw/zinc/87/63/36/489876336.db2.gz IRZFSHQSHQYTIK-KFWWJZLASA-N 1 3 354.495 0.188 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420012955 489880459 /nfs/dbraw/zinc/88/04/59/489880459.db2.gz JKEVYAZGUMLWSF-INMHGKMJSA-N 1 3 368.522 0.434 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420012144 489880836 /nfs/dbraw/zinc/88/08/36/489880836.db2.gz ASVSPJZLRJOMGV-IPYPFGDCSA-N 1 3 354.495 0.404 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420018747 489882013 /nfs/dbraw/zinc/88/20/13/489882013.db2.gz PYHDGHDIHHBRJD-HRCADAONSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CN1CCN(C)CC1 ZINC000433413178 489882694 /nfs/dbraw/zinc/88/26/94/489882694.db2.gz WASYFEKPLFRIRM-ZWKOTPCHSA-N 1 3 369.554 0.670 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CN1CCN(C)CC1 ZINC000433413178 489882696 /nfs/dbraw/zinc/88/26/96/489882696.db2.gz WASYFEKPLFRIRM-ZWKOTPCHSA-N 1 3 369.554 0.670 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030661 489887204 /nfs/dbraw/zinc/88/72/04/489887204.db2.gz GPWDWFKXPXHSTG-KBUPBQIOSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030661 489887207 /nfs/dbraw/zinc/88/72/07/489887207.db2.gz GPWDWFKXPXHSTG-KBUPBQIOSA-N 1 3 354.495 0.452 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420031622 489887473 /nfs/dbraw/zinc/88/74/73/489887473.db2.gz HKAWPNWRGRTINR-UKRRQHHQSA-N 1 3 354.495 0.548 20 0 FCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420035331 489888213 /nfs/dbraw/zinc/88/82/13/489888213.db2.gz JZONAYJMSQKREO-HUUCEWRRSA-N 1 3 356.511 0.796 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433470149 489888353 /nfs/dbraw/zinc/88/83/53/489888353.db2.gz YGWVWOTXMGEDSS-QZTJIDSGSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433470149 489888357 /nfs/dbraw/zinc/88/83/57/489888357.db2.gz YGWVWOTXMGEDSS-QZTJIDSGSA-N 1 3 369.554 0.813 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420050588 489893636 /nfs/dbraw/zinc/89/36/36/489893636.db2.gz ZEJJDIAAOQADSN-QLFBSQMISA-N 1 3 354.495 0.406 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420050588 489893639 /nfs/dbraw/zinc/89/36/39/489893639.db2.gz ZEJJDIAAOQADSN-QLFBSQMISA-N 1 3 354.495 0.406 20 0 FCADHO C[C@H]1C[C@@H](CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000564045415 491285827 /nfs/dbraw/zinc/28/58/27/491285827.db2.gz XFHIQTKMFONIGT-HOTGVXAUSA-N 1 3 356.511 0.260 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420092477 489909496 /nfs/dbraw/zinc/90/94/96/489909496.db2.gz GDGJENIMAHIXSK-MAUKXSAKSA-N 1 3 354.495 0.062 20 0 FCADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420093275 489909630 /nfs/dbraw/zinc/90/96/30/489909630.db2.gz PKKDCGMVDRUVCY-KRWDZBQOSA-N 1 3 373.501 0.892 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097732 489910985 /nfs/dbraw/zinc/91/09/85/489910985.db2.gz AJZFFRZNUVKEBU-RHSMWYFYSA-N 1 3 364.465 0.973 20 0 FCADHO CN1CCC(O)(CNC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000461512305 489915672 /nfs/dbraw/zinc/91/56/72/489915672.db2.gz DPGIKQCLZKXLPN-UHFFFAOYSA-N 1 3 365.478 0.278 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000461521859 489916182 /nfs/dbraw/zinc/91/61/82/489916182.db2.gz VWRSXNFTROJMOA-GOSISDBHSA-N 1 3 365.478 0.278 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000420129286 489922881 /nfs/dbraw/zinc/92/28/81/489922881.db2.gz WPYRSBIUSPRRFO-FUHWJXTLSA-N 1 3 360.502 0.999 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000377576799 489924217 /nfs/dbraw/zinc/92/42/17/489924217.db2.gz GFNBHXZDOODTID-IAGOWNOFSA-N 1 3 354.495 0.650 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143755 489929109 /nfs/dbraw/zinc/92/91/09/489929109.db2.gz YPLMSALWEHNDAI-UHFFFAOYSA-N 1 3 350.488 0.674 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420160362 489936758 /nfs/dbraw/zinc/93/67/58/489936758.db2.gz UPUYUAMEQZWMEO-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420164981 489936918 /nfs/dbraw/zinc/93/69/18/489936918.db2.gz MRHKFCJVSUPJJZ-MRXNPFEDSA-N 1 3 368.522 0.450 20 0 FCADHO NC1(CNC(=O)C(=O)N2CCC[C@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202617 489950517 /nfs/dbraw/zinc/95/05/17/489950517.db2.gz JOFMVEJWROTNFE-KRWDZBQOSA-N 1 3 374.485 0.079 20 0 FCADHO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420206600 489952553 /nfs/dbraw/zinc/95/25/53/489952553.db2.gz SPIDWLBDECWUHB-KRWDZBQOSA-N 1 3 368.522 0.452 20 0 FCADHO NS(=O)(=O)c1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420326088 489963692 /nfs/dbraw/zinc/96/36/92/489963692.db2.gz XALGACZPQUXYGZ-OAHLLOKOSA-N 1 3 352.504 0.846 20 0 FCADHO c1nc(N2CCOCC2)cc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420356192 489967373 /nfs/dbraw/zinc/96/73/73/489967373.db2.gz GARKPQJBHVCVFM-QGZVFWFLSA-N 1 3 360.506 0.825 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000477653309 489982822 /nfs/dbraw/zinc/98/28/22/489982822.db2.gz PRQWNADQZWMKQE-HNNXBMFYSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCO[C@H](C[NH3+])C1 ZINC000478265234 490012989 /nfs/dbraw/zinc/01/29/89/490012989.db2.gz FVVGRCGYBFOVOS-VQIMIIECSA-N 1 3 360.502 0.815 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000378202976 490027544 /nfs/dbraw/zinc/02/75/44/490027544.db2.gz PLEMLYONRZQAFR-LJQANCHMSA-N 1 3 364.465 0.977 20 0 FCADHO CC[NH+]1CCC(N2CCCN(CCCNS(=O)(=O)CC)CC2)CC1 ZINC000420973044 490036726 /nfs/dbraw/zinc/03/67/26/490036726.db2.gz BVTSKNBDJSGIIL-UHFFFAOYSA-N 1 3 360.568 0.808 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000571288730 491298116 /nfs/dbraw/zinc/29/81/16/491298116.db2.gz DBZCKNVKISSTKY-OAHLLOKOSA-N 1 3 364.494 0.068 20 0 FCADHO CC1[C@@H](C(=O)N(C)C[C@@H]2CCCN2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421710174 490098627 /nfs/dbraw/zinc/09/86/27/490098627.db2.gz JFZQCSYQTXRNTN-WNRNVDISSA-N 1 3 364.534 0.974 20 0 FCADHO CC1[C@@H](C(=O)N(C)C[C@@H]2CCCN2C)[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421710174 490098639 /nfs/dbraw/zinc/09/86/39/490098639.db2.gz JFZQCSYQTXRNTN-WNRNVDISSA-N 1 3 364.534 0.974 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCN1CCOCC1 ZINC000465445870 490121455 /nfs/dbraw/zinc/12/14/55/490121455.db2.gz ZZVCFHJANVEUKP-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCN1CCOCC1 ZINC000465445870 490121466 /nfs/dbraw/zinc/12/14/66/490121466.db2.gz ZZVCFHJANVEUKP-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1C ZINC000465863636 490149566 /nfs/dbraw/zinc/14/95/66/490149566.db2.gz HAPWUGVFEMKQHH-HOCLYGCPSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460150 490150948 /nfs/dbraw/zinc/15/09/48/490150948.db2.gz ZAFGTTFMMUEXCN-DOTOQJQBSA-N 1 3 366.506 0.322 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460150 490150953 /nfs/dbraw/zinc/15/09/53/490150953.db2.gz ZAFGTTFMMUEXCN-DOTOQJQBSA-N 1 3 366.506 0.322 20 0 FCADHO C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)CN1CCN(C)CC1 ZINC000466133539 490168441 /nfs/dbraw/zinc/16/84/41/490168441.db2.gz FJOSIPNAJHNOHG-QGZVFWFLSA-N 1 3 369.554 0.358 20 0 FCADHO C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)CN1CCN(C)CC1 ZINC000466133539 490168444 /nfs/dbraw/zinc/16/84/44/490168444.db2.gz FJOSIPNAJHNOHG-QGZVFWFLSA-N 1 3 369.554 0.358 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000466233895 490172289 /nfs/dbraw/zinc/17/22/89/490172289.db2.gz FUNWMGFUOFRJHC-PVAVHDDUSA-N 1 3 365.522 0.711 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000466233895 490172298 /nfs/dbraw/zinc/17/22/98/490172298.db2.gz FUNWMGFUOFRJHC-PVAVHDDUSA-N 1 3 365.522 0.711 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422126708 490177879 /nfs/dbraw/zinc/17/78/79/490177879.db2.gz XAJNSMJGACKGCZ-SJORKVTESA-N 1 3 368.522 0.498 20 0 FCADHO CCc1n[nH]c(=O)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1CC ZINC000533153260 490186558 /nfs/dbraw/zinc/18/65/58/490186558.db2.gz SWRXBCLHBGVRFK-UHFFFAOYSA-N 1 3 366.510 0.942 20 0 FCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000507413866 490218629 /nfs/dbraw/zinc/21/86/29/490218629.db2.gz MVBSIBLFSOXYLU-SFHVURJKSA-N 1 3 369.554 0.408 20 0 FCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000507413866 490218640 /nfs/dbraw/zinc/21/86/40/490218640.db2.gz MVBSIBLFSOXYLU-SFHVURJKSA-N 1 3 369.554 0.408 20 0 FCADHO CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[NH+](C)C)cc1 ZINC000521272697 490243302 /nfs/dbraw/zinc/24/33/02/490243302.db2.gz FGGVEGOPALKRSV-KSZLIROESA-N 1 3 373.501 0.805 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000521273834 490244174 /nfs/dbraw/zinc/24/41/74/490244174.db2.gz IEQDTCNEIWSYQF-RTBURBONSA-N 1 3 372.513 0.878 20 0 FCADHO CC[NH+](CC)CCCNC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000521339278 490249572 /nfs/dbraw/zinc/24/95/72/490249572.db2.gz VQQZGDTZAUXUHI-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO CN(C)CCOc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000556409547 491314125 /nfs/dbraw/zinc/31/41/25/491314125.db2.gz WTGLPQLQLCBOEK-UHFFFAOYSA-N 1 3 356.488 0.656 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1=CCN(C)CC1 ZINC000571555501 491315788 /nfs/dbraw/zinc/31/57/88/491315788.db2.gz QCIDNWPJPPCSEV-OAHLLOKOSA-N 1 3 350.507 0.991 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000521875334 490306598 /nfs/dbraw/zinc/30/65/98/490306598.db2.gz ZTQHVQOESDPLJN-OLZOCXBDSA-N 1 3 350.467 0.720 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979829 490307114 /nfs/dbraw/zinc/30/71/14/490307114.db2.gz BKSOOORWDCORTP-HZPDHXFCSA-N 1 3 367.538 0.993 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979829 490307119 /nfs/dbraw/zinc/30/71/19/490307119.db2.gz BKSOOORWDCORTP-HZPDHXFCSA-N 1 3 367.538 0.993 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483331385 490308534 /nfs/dbraw/zinc/30/85/34/490308534.db2.gz FUHZCZNQQCOMNA-ULQDDVLXSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000522443036 490379362 /nfs/dbraw/zinc/37/93/62/490379362.db2.gz OGOVVYFMTVYUGA-SFHVURJKSA-N 1 3 369.554 0.360 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000522443036 490379367 /nfs/dbraw/zinc/37/93/67/490379367.db2.gz OGOVVYFMTVYUGA-SFHVURJKSA-N 1 3 369.554 0.360 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1F ZINC000411118170 490389801 /nfs/dbraw/zinc/38/98/01/490389801.db2.gz DQCIMWKIEULBIF-UHFFFAOYSA-N 1 3 354.426 0.773 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484276753 490406349 /nfs/dbraw/zinc/40/63/49/490406349.db2.gz ANRCETLZYAOWBB-DLBZAZTESA-N 1 3 367.538 0.071 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484276757 490406592 /nfs/dbraw/zinc/40/65/92/490406592.db2.gz ANRCETLZYAOWBB-IRXDYDNUSA-N 1 3 367.538 0.071 20 0 FCADHO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548034686 490410210 /nfs/dbraw/zinc/41/02/10/490410210.db2.gz SPTDXQAYWKJAMA-KRWDZBQOSA-N 1 3 369.554 0.501 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000509718186 490456822 /nfs/dbraw/zinc/45/68/22/490456822.db2.gz XLVQFQNLTPGHOP-MRXNPFEDSA-N 1 3 354.495 0.015 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000484705167 490457048 /nfs/dbraw/zinc/45/70/48/490457048.db2.gz SMZOBQHBHLWJAV-CVEARBPZSA-N 1 3 353.511 0.522 20 0 FCADHO CC(=O)N1CCN(CCOc2ccc(CCN[C@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000422702158 490460046 /nfs/dbraw/zinc/46/00/46/490460046.db2.gz DGTYSWLJWMEIFD-QGZVFWFLSA-N 1 3 374.529 0.970 20 0 FCADHO CC(=O)N1CCN(CCOc2ccc(CC[NH2+][C@H](C)C3CNC3)cc2)CC1 ZINC000422702158 490460050 /nfs/dbraw/zinc/46/00/50/490460050.db2.gz DGTYSWLJWMEIFD-QGZVFWFLSA-N 1 3 374.529 0.970 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000509811099 490467819 /nfs/dbraw/zinc/46/78/19/490467819.db2.gz JDQDTQALNNPHAC-VYDXJSESSA-N 1 3 356.511 0.339 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000509811099 490467826 /nfs/dbraw/zinc/46/78/26/490467826.db2.gz JDQDTQALNNPHAC-VYDXJSESSA-N 1 3 356.511 0.339 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000523481630 490467929 /nfs/dbraw/zinc/46/79/29/490467929.db2.gz HZNSCOASKCUNDU-HOTGVXAUSA-N 1 3 355.527 0.959 20 0 FCADHO C[C@@H](CCC[NH3+])NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000422753944 490471230 /nfs/dbraw/zinc/47/12/30/490471230.db2.gz FMKUWVDUMRDAHN-HNNXBMFYSA-N 1 3 354.520 0.840 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000484909476 490476674 /nfs/dbraw/zinc/47/66/74/490476674.db2.gz SPRCSQBPUANTDF-UKRRQHHQSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C(=O)NCCN1CCCCC1 ZINC000571879175 491334706 /nfs/dbraw/zinc/33/47/06/491334706.db2.gz IGJPPVYRVNLKKC-ZIAGYGMSSA-N 1 3 362.478 0.207 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC000500785843 490553308 /nfs/dbraw/zinc/55/33/08/490553308.db2.gz QVFDOMXUGIGFBB-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC000500785843 490553315 /nfs/dbraw/zinc/55/33/15/490553315.db2.gz QVFDOMXUGIGFBB-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CCN(CCc2ccccc2)CC1 ZINC000564911545 491335891 /nfs/dbraw/zinc/33/58/91/491335891.db2.gz ZAJZXNOXSHXWBA-GOSISDBHSA-N 1 3 358.486 0.678 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485809055 490559977 /nfs/dbraw/zinc/55/99/77/490559977.db2.gz CBJJBXKTGUAVKE-INIZCTEOSA-N 1 3 364.494 0.822 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000549564367 490589938 /nfs/dbraw/zinc/58/99/38/490589938.db2.gz KBUQCBRLUAJUHC-UHFFFAOYSA-N 1 3 374.493 0.340 20 0 FCADHO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410160 490592221 /nfs/dbraw/zinc/59/22/21/490592221.db2.gz MYOZHKNERLXMCI-HOCLYGCPSA-N 1 3 351.495 0.523 20 0 FCADHO C[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1=CCN(C)CC1 ZINC000511410160 490592227 /nfs/dbraw/zinc/59/22/27/490592227.db2.gz MYOZHKNERLXMCI-HOCLYGCPSA-N 1 3 351.495 0.523 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000525438827 490605986 /nfs/dbraw/zinc/60/59/86/490605986.db2.gz PGUGACPSXDCRPD-UHFFFAOYSA-N 1 3 355.527 0.770 20 0 FCADHO CN1CCN(c2ncc(CN3CCC(OCC[NH+](C)C)CC3)cn2)CC1 ZINC000536674596 490606281 /nfs/dbraw/zinc/60/62/81/490606281.db2.gz VKDXOHHBCFDPAU-UHFFFAOYSA-N 1 3 362.522 0.771 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000556849122 491340618 /nfs/dbraw/zinc/34/06/18/491340618.db2.gz HUNRGVAWNJYSLL-KRWDZBQOSA-N 1 3 367.538 0.567 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000556849122 491340619 /nfs/dbraw/zinc/34/06/19/491340619.db2.gz HUNRGVAWNJYSLL-KRWDZBQOSA-N 1 3 367.538 0.567 20 0 FCADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000501643391 490629811 /nfs/dbraw/zinc/62/98/11/490629811.db2.gz VWVPXAJFXTWMAS-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000501643391 490629816 /nfs/dbraw/zinc/62/98/16/490629816.db2.gz VWVPXAJFXTWMAS-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)[C@H](CNC(=O)CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001203 491342007 /nfs/dbraw/zinc/34/20/07/491342007.db2.gz BEWWFQKTKXAEDV-RTBURBONSA-N 1 3 359.518 0.385 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000550321906 490659221 /nfs/dbraw/zinc/65/92/21/490659221.db2.gz ICTKXDCXFXRQBV-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000564992193 491344500 /nfs/dbraw/zinc/34/45/00/491344500.db2.gz IJMLAVRSFLDUQJ-KSSFIOAISA-N 1 3 361.490 0.823 20 0 FCADHO CC1CC[NH+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000572059417 491345861 /nfs/dbraw/zinc/34/58/61/491345861.db2.gz GYZSKRYNSYAAPG-HZPDHXFCSA-N 1 3 351.495 0.452 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000572096620 491348292 /nfs/dbraw/zinc/34/82/92/491348292.db2.gz QOCDBNRNLFCTST-INIZCTEOSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478350 490733380 /nfs/dbraw/zinc/73/33/80/490733380.db2.gz XEVMISRSMLQDIE-HOTGVXAUSA-N 1 3 370.538 0.696 20 0 FCADHO Cc1cnc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000572157941 491352948 /nfs/dbraw/zinc/35/29/48/491352948.db2.gz RLYZXHLIJHQHJV-CYBMUJFWSA-N 1 3 355.508 0.581 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000514925117 490798182 /nfs/dbraw/zinc/79/81/82/490798182.db2.gz JNJDOJNWZZYTBN-ROUUACIJSA-N 1 3 362.474 0.565 20 0 FCADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C1 ZINC000515062826 490806159 /nfs/dbraw/zinc/80/61/59/490806159.db2.gz FCAPADVAEXCIFI-OAHLLOKOSA-N 1 3 360.458 0.701 20 0 FCADHO CC[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000515381347 490822802 /nfs/dbraw/zinc/82/28/02/490822802.db2.gz IFKKEPPTHFKQQI-ROUUACIJSA-N 1 3 358.486 0.808 20 0 FCADHO COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516091231 490850157 /nfs/dbraw/zinc/85/01/57/490850157.db2.gz GCOLOIXNOXOKTA-KGLIPLIRSA-N 1 3 361.446 0.533 20 0 FCADHO COc1cc(C)ccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000516205947 490856631 /nfs/dbraw/zinc/85/66/31/490856631.db2.gz XVPAGSVYFMFHOI-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)COC3CCOCC3)CC2)CC1 ZINC000541663938 490868751 /nfs/dbraw/zinc/86/87/51/490868751.db2.gz JDSDRRJAKOKPDJ-SFHVURJKSA-N 1 3 369.550 0.892 20 0 FCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000516786822 490878016 /nfs/dbraw/zinc/87/80/16/490878016.db2.gz GWNLHDQRJPFNHR-PMPSAXMXSA-N 1 3 351.495 0.452 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000516786822 490878018 /nfs/dbraw/zinc/87/80/18/490878018.db2.gz GWNLHDQRJPFNHR-PMPSAXMXSA-N 1 3 351.495 0.452 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000516857411 490881084 /nfs/dbraw/zinc/88/10/84/490881084.db2.gz HXCWPMSETOXFSM-UHFFFAOYSA-N 1 3 356.511 0.496 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000516925711 490885257 /nfs/dbraw/zinc/88/52/57/490885257.db2.gz AITRXUVZYVJMAD-MRXNPFEDSA-N 1 3 368.428 0.723 20 0 FCADHO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)C(=O)NCCN(C)C ZINC000517228231 490899741 /nfs/dbraw/zinc/89/97/41/490899741.db2.gz LSSXQARNKQEQQL-CQSZACIVSA-N 1 3 350.463 0.423 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCN1C ZINC000517821310 490922588 /nfs/dbraw/zinc/92/25/88/490922588.db2.gz RRQUPTKONPAECT-HZPDHXFCSA-N 1 3 353.511 0.761 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000517998527 490927741 /nfs/dbraw/zinc/92/77/41/490927741.db2.gz YGNHREFEOARGIE-IKGGRYGDSA-N 1 3 366.506 0.081 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000518290349 490936103 /nfs/dbraw/zinc/93/61/03/490936103.db2.gz HBLYLXRSQWOASC-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO O=C(NCCCN1CCC(O)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062198 490938823 /nfs/dbraw/zinc/93/88/23/490938823.db2.gz LKGHEKYRBKLCSZ-FQEVSTJZSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(NCCCN1CCC(O)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062198 490938824 /nfs/dbraw/zinc/93/88/24/490938824.db2.gz LKGHEKYRBKLCSZ-FQEVSTJZSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(NCCCN1CCC(O)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062199 490938881 /nfs/dbraw/zinc/93/88/81/490938881.db2.gz LKGHEKYRBKLCSZ-HXUWFJFHSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(NCCCN1CCC(O)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062199 490938882 /nfs/dbraw/zinc/93/88/82/490938882.db2.gz LKGHEKYRBKLCSZ-HXUWFJFHSA-N 1 3 361.486 0.586 20 0 FCADHO C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062790 490938918 /nfs/dbraw/zinc/93/89/18/490938918.db2.gz GTKTXEGBFROQIG-RXVVDRJESA-N 1 3 374.529 0.623 20 0 FCADHO C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000531062790 490938920 /nfs/dbraw/zinc/93/89/20/490938920.db2.gz GTKTXEGBFROQIG-RXVVDRJESA-N 1 3 374.529 0.623 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565256390 491366693 /nfs/dbraw/zinc/36/66/93/491366693.db2.gz ZJURSNJBKHCQBO-OWCLPIDISA-N 1 3 365.522 0.840 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565256390 491366695 /nfs/dbraw/zinc/36/66/95/491366695.db2.gz ZJURSNJBKHCQBO-OWCLPIDISA-N 1 3 365.522 0.840 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CN1C1CC1 ZINC000531484060 490960315 /nfs/dbraw/zinc/96/03/15/490960315.db2.gz ZCUHRDGRAOWGIN-GOEBONIOSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812238 490975224 /nfs/dbraw/zinc/97/52/24/490975224.db2.gz HNAYWLYXVHRMFA-RDJZCZTQSA-N 1 3 363.506 0.419 20 0 FCADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812238 490975227 /nfs/dbraw/zinc/97/52/27/490975227.db2.gz HNAYWLYXVHRMFA-RDJZCZTQSA-N 1 3 363.506 0.419 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C(=O)NCC[C@@H]3C)CC2)CC1 ZINC000519649384 490982021 /nfs/dbraw/zinc/98/20/21/490982021.db2.gz MMINNEWLGCLBAM-YOEHRIQHSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067611 490985200 /nfs/dbraw/zinc/98/52/00/490985200.db2.gz PSZMVTUJTJUEMP-RDJZCZTQSA-N 1 3 365.522 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000532067611 490985204 /nfs/dbraw/zinc/98/52/04/490985204.db2.gz PSZMVTUJTJUEMP-RDJZCZTQSA-N 1 3 365.522 0.665 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315169 490990912 /nfs/dbraw/zinc/99/09/12/490990912.db2.gz NXRLDAAKOHANBR-YOEHRIQHSA-N 1 3 365.522 0.711 20 0 FCADHO CC(C)NS(=O)(=O)NCCNCc1ccc(OCC[NH+](C)C)cc1 ZINC000683206292 493337103 /nfs/dbraw/zinc/33/71/03/493337103.db2.gz AUFYFJSKOLZSGZ-UHFFFAOYSA-N 1 3 358.508 0.549 20 0 FCADHO CCN1CCN(CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000557679290 491390791 /nfs/dbraw/zinc/39/07/91/491390791.db2.gz GIAOLTIUVXOAJK-QGZVFWFLSA-N 1 3 354.564 0.958 20 0 FCADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000565646014 491390777 /nfs/dbraw/zinc/39/07/77/491390777.db2.gz KNWVEPYBYSUCFZ-UHFFFAOYSA-N 1 3 366.849 0.840 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000565647220 491391081 /nfs/dbraw/zinc/39/10/81/491391081.db2.gz WGSJYKLCKRBSRK-BWTSREIZSA-N 1 3 357.502 0.841 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000572802400 491394560 /nfs/dbraw/zinc/39/45/60/491394560.db2.gz RXWGRUXIWCPCCI-UHFFFAOYSA-N 1 3 365.482 0.119 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565882957 491405070 /nfs/dbraw/zinc/40/50/70/491405070.db2.gz YWSIRRIQCKSWNU-UHFFFAOYSA-N 1 3 356.470 0.589 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565882957 491405073 /nfs/dbraw/zinc/40/50/73/491405073.db2.gz YWSIRRIQCKSWNU-UHFFFAOYSA-N 1 3 356.470 0.589 20 0 FCADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000573022998 491407904 /nfs/dbraw/zinc/40/79/04/491407904.db2.gz MOMSEZDDIMRNMM-ZWKOTPCHSA-N 1 3 373.501 0.982 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000566190722 491424653 /nfs/dbraw/zinc/42/46/53/491424653.db2.gz IFSQDMFIAUEKPE-MRXNPFEDSA-N 1 3 350.438 0.584 20 0 FCADHO O=C(NC[C@H]1CCCN1CCCO)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321425 491426302 /nfs/dbraw/zinc/42/63/02/491426302.db2.gz UVNVJLVIKCZFKV-UYAOXDASSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(NC[C@H]1CCCN1CCCO)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321425 491426303 /nfs/dbraw/zinc/42/63/03/491426303.db2.gz UVNVJLVIKCZFKV-UYAOXDASSA-N 1 3 361.486 0.586 20 0 FCADHO CCN1CCN(CCC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000558348387 491426774 /nfs/dbraw/zinc/42/67/74/491426774.db2.gz AGYSWCMKMPGHLJ-UHFFFAOYSA-N 1 3 367.538 0.122 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566223849 491427094 /nfs/dbraw/zinc/42/70/94/491427094.db2.gz MMVCPNAOSOMQLX-HRCADAONSA-N 1 3 369.535 0.809 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573476570 491436079 /nfs/dbraw/zinc/43/60/79/491436079.db2.gz SOFZCGDPECVJIS-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000573490352 491436574 /nfs/dbraw/zinc/43/65/74/491436574.db2.gz MLMOGFOPYJKYGG-UONOGXRCSA-N 1 3 352.454 0.958 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000573578654 491442048 /nfs/dbraw/zinc/44/20/48/491442048.db2.gz FZYVDPHSMJMGIL-DLBZAZTESA-N 1 3 359.474 0.462 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000573578654 491442050 /nfs/dbraw/zinc/44/20/50/491442050.db2.gz FZYVDPHSMJMGIL-DLBZAZTESA-N 1 3 359.474 0.462 20 0 FCADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000566508781 491449925 /nfs/dbraw/zinc/44/99/25/491449925.db2.gz ZCXDWKPLRVINEC-YESZJQIVSA-N 1 3 357.458 0.214 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412746 491471122 /nfs/dbraw/zinc/47/11/22/491471122.db2.gz UOSOYOSZMYQXMP-ROUUACIJSA-N 1 3 360.502 0.828 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000566911781 491474632 /nfs/dbraw/zinc/47/46/32/491474632.db2.gz MXOOUNIQEKIFPA-WIYYLYMNSA-N 1 3 372.513 0.977 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145934 491477083 /nfs/dbraw/zinc/47/70/83/491477083.db2.gz QZVCTALNRCEEKQ-INMHGKMJSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145934 491477084 /nfs/dbraw/zinc/47/70/84/491477084.db2.gz QZVCTALNRCEEKQ-INMHGKMJSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574179962 491479499 /nfs/dbraw/zinc/47/94/99/491479499.db2.gz AIDAUNHAHAPEOM-YYAJDYIMSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569554 491482262 /nfs/dbraw/zinc/48/22/62/491482262.db2.gz ZDQDBWDDWAUWPP-LSDHHAIUSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262112 491484567 /nfs/dbraw/zinc/48/45/67/491484567.db2.gz GVWIHKMXCKQFHF-ZWKOTPCHSA-N 1 3 361.490 0.038 20 0 FCADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](N)CC(=O)OC)cc2)CC1 ZINC000567163762 491489407 /nfs/dbraw/zinc/48/94/07/491489407.db2.gz ZEFUFBYOHCZYFG-KRWDZBQOSA-N 1 3 362.474 0.331 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000559746016 491495332 /nfs/dbraw/zinc/49/53/32/491495332.db2.gz FFPOKVUMJUOLRI-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(N(C)C)c1 ZINC000574468407 491499229 /nfs/dbraw/zinc/49/92/29/491499229.db2.gz HWCSTORBSOLLRE-UHFFFAOYSA-N 1 3 363.506 0.321 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567356389 491501638 /nfs/dbraw/zinc/50/16/38/491501638.db2.gz JRQLGPMIUZDUGO-MJGOQNOKSA-N 1 3 352.523 0.805 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000560017802 491515671 /nfs/dbraw/zinc/51/56/71/491515671.db2.gz ZLRLMWOLWWNJBK-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC1CCN(C[C@H](O)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804694 491530817 /nfs/dbraw/zinc/53/08/17/491530817.db2.gz URZKLSIBRUZETG-HUUCEWRRSA-N 1 3 350.467 0.025 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000574987354 491531793 /nfs/dbraw/zinc/53/17/93/491531793.db2.gz UHDKEGKFBMTFAU-MRXNPFEDSA-N 1 3 368.428 0.723 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000568075790 491552118 /nfs/dbraw/zinc/55/21/18/491552118.db2.gz HKIABCDYQPZTLW-QGZVFWFLSA-N 1 3 369.535 0.778 20 0 FCADHO CN1CCC(Nc2ccccc2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000575871984 491566910 /nfs/dbraw/zinc/56/69/10/491566910.db2.gz ZPIXIGATDXJZDH-QGZVFWFLSA-N 1 3 359.474 0.999 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000568292599 491567324 /nfs/dbraw/zinc/56/73/24/491567324.db2.gz RGLCMDJPNMRUFV-KRWDZBQOSA-N 1 3 364.490 0.619 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000576044285 491577879 /nfs/dbraw/zinc/57/78/79/491577879.db2.gz NZYGNCUDYKSAJE-FGTMMUONSA-N 1 3 372.517 0.835 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCCN(C[C@H]3CCCO3)CC2)CC1=O ZINC000673650358 493353141 /nfs/dbraw/zinc/35/31/41/493353141.db2.gz OQJIDUYEGAZRGG-DLBZAZTESA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576224859 491594135 /nfs/dbraw/zinc/59/41/35/491594135.db2.gz HFAVIVOBQDDRCT-KRWDZBQOSA-N 1 3 364.465 0.974 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000584464504 491594517 /nfs/dbraw/zinc/59/45/17/491594517.db2.gz RRYHDZDTIHKLRK-DSLXNQLJSA-N 1 3 370.497 0.915 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000561589133 491619585 /nfs/dbraw/zinc/61/95/85/491619585.db2.gz MMLMLDASMITZJI-OAHLLOKOSA-N 1 3 368.522 0.545 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(O)CCO[C@H]3C)CC2)CC1 ZINC000576715833 491638675 /nfs/dbraw/zinc/63/86/75/491638675.db2.gz OQPKEMURSIVDFM-HNAYVOBHSA-N 1 3 353.507 0.839 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@@H+]1C ZINC000562001721 491646471 /nfs/dbraw/zinc/64/64/71/491646471.db2.gz OOSDDZPSSASEEV-LSDHHAIUSA-N 1 3 350.463 0.769 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[N@H+]1C ZINC000562001721 491646475 /nfs/dbraw/zinc/64/64/75/491646475.db2.gz OOSDDZPSSASEEV-LSDHHAIUSA-N 1 3 350.463 0.769 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NCC(=O)NCCN3CCCCCC3)C2)C1 ZINC000569427280 491660691 /nfs/dbraw/zinc/66/06/91/491660691.db2.gz YRJVHJGWHDZGEY-IBGZPJMESA-N 1 3 365.522 0.716 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)NCC(=O)NCCN3CCCCCC3)C2)C1 ZINC000569427280 491660694 /nfs/dbraw/zinc/66/06/94/491660694.db2.gz YRJVHJGWHDZGEY-IBGZPJMESA-N 1 3 365.522 0.716 20 0 FCADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578134757 491670798 /nfs/dbraw/zinc/67/07/98/491670798.db2.gz CKKUPVABXDRIQB-FUHWJXTLSA-N 1 3 372.517 0.835 20 0 FCADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000579130156 491691715 /nfs/dbraw/zinc/69/17/15/491691715.db2.gz NJTNERQCIJHYGE-IRXDYDNUSA-N 1 3 359.474 0.244 20 0 FCADHO CS[C@@H]1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579391863 491697147 /nfs/dbraw/zinc/69/71/47/491697147.db2.gz IDPSKMJEBMDFLJ-LSDHHAIUSA-N 1 3 358.552 0.729 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)NCCN1CCCCCC1 ZINC000580613194 491738756 /nfs/dbraw/zinc/73/87/56/491738756.db2.gz ZQIDZCXWMKZWJZ-DLBZAZTESA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)NCCN1CCCCCC1 ZINC000580613194 491738757 /nfs/dbraw/zinc/73/87/57/491738757.db2.gz ZQIDZCXWMKZWJZ-DLBZAZTESA-N 1 3 365.522 0.905 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000580710252 491742465 /nfs/dbraw/zinc/74/24/65/491742465.db2.gz XLHNCTOXXBKVOK-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580882629 491750066 /nfs/dbraw/zinc/75/00/66/491750066.db2.gz GFAJBRMXPCQVMT-BNOWGMLFSA-N 1 3 363.428 0.604 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542704 493360573 /nfs/dbraw/zinc/36/05/73/493360573.db2.gz FZBHJTSHILQDCJ-SJLPKXTDSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000660542704 493360576 /nfs/dbraw/zinc/36/05/76/493360576.db2.gz FZBHJTSHILQDCJ-SJLPKXTDSA-N 1 3 371.485 0.673 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135337 491760926 /nfs/dbraw/zinc/76/09/26/491760926.db2.gz FBVJNVLYGAOXPZ-JKSUJKDBSA-N 1 3 363.510 0.500 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC000581135337 491760927 /nfs/dbraw/zinc/76/09/27/491760927.db2.gz FBVJNVLYGAOXPZ-JKSUJKDBSA-N 1 3 363.510 0.500 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000581548344 491777163 /nfs/dbraw/zinc/77/71/63/491777163.db2.gz DNLKSHXWQBOGMF-UONOGXRCSA-N 1 3 350.463 0.485 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581777607 491785887 /nfs/dbraw/zinc/78/58/87/491785887.db2.gz BTZGBINDOIHUBF-CVEARBPZSA-N 1 3 367.538 0.105 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581777607 491785889 /nfs/dbraw/zinc/78/58/89/491785889.db2.gz BTZGBINDOIHUBF-CVEARBPZSA-N 1 3 367.538 0.105 20 0 FCADHO CC(=O)N1CCN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000581891534 491789191 /nfs/dbraw/zinc/78/91/91/491789191.db2.gz OBZJKKKIUKLFNX-ICSRJNTNSA-N 1 3 358.486 0.996 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(CCOC)CC3)CC2)CC1 ZINC000582130894 491799397 /nfs/dbraw/zinc/79/93/97/491799397.db2.gz QLNBBESJVJETID-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CN1C1CC1 ZINC000582434708 491812692 /nfs/dbraw/zinc/81/26/92/491812692.db2.gz HSUXFYHEJKINGR-IGCXYCKISA-N 1 3 354.520 0.281 20 0 FCADHO CN1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](CN)C1 ZINC000582655791 491821292 /nfs/dbraw/zinc/82/12/92/491821292.db2.gz HNJSNNJQBJZNDX-RYQLBKOJSA-N 1 3 363.481 0.803 20 0 FCADHO C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@@H](C)C[NH2+]1 ZINC000583637173 491849201 /nfs/dbraw/zinc/84/92/01/491849201.db2.gz DPFLIGAFEABPRM-FVPDABNVSA-N 1 3 351.495 0.462 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000583708547 491850598 /nfs/dbraw/zinc/85/05/98/491850598.db2.gz DZDUAWBCMANBFH-UHFFFAOYSA-N 1 3 354.495 0.062 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000584288962 491862329 /nfs/dbraw/zinc/86/23/29/491862329.db2.gz NFQVWPPHQUOSCU-SFHVURJKSA-N 1 3 358.486 0.944 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000612546986 491932520 /nfs/dbraw/zinc/93/25/20/491932520.db2.gz XRYQXGZMUWOICU-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000612546986 491932523 /nfs/dbraw/zinc/93/25/23/491932523.db2.gz XRYQXGZMUWOICU-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612919894 491958320 /nfs/dbraw/zinc/95/83/20/491958320.db2.gz ZSKJROLPRSCLSV-GOEBONIOSA-N 1 3 361.494 0.446 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612913756 491958622 /nfs/dbraw/zinc/95/86/22/491958622.db2.gz DJVROHGEHVABEQ-GJZGRUSLSA-N 1 3 361.494 0.460 20 0 FCADHO [NH3+]C[C@H](NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612919895 491958699 /nfs/dbraw/zinc/95/86/99/491958699.db2.gz ZSKJROLPRSCLSV-HOCLYGCPSA-N 1 3 361.494 0.446 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC000595894684 491959930 /nfs/dbraw/zinc/95/99/30/491959930.db2.gz YLMVPKNRUNGTMS-OWCLPIDISA-N 1 3 353.463 0.369 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612972311 491960292 /nfs/dbraw/zinc/96/02/92/491960292.db2.gz WWZXIYXBZVQQGE-QGZVFWFLSA-N 1 3 373.501 0.919 20 0 FCADHO CC(C)[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)N1CCOCC1 ZINC000607229382 492141847 /nfs/dbraw/zinc/14/18/47/492141847.db2.gz UNTLZQDLXDUNJG-KRWDZBQOSA-N 1 3 357.543 0.478 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000647495030 492298262 /nfs/dbraw/zinc/29/82/62/492298262.db2.gz LECDUXMZNOGOCG-NEPJUHHUSA-N 1 3 354.426 0.947 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2(CCCC2)O1 ZINC000647558423 492305605 /nfs/dbraw/zinc/30/56/05/492305605.db2.gz IWTDVTHAZNGULY-MRXNPFEDSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN)C1CC[NH+](C)CC1 ZINC000647594854 492331499 /nfs/dbraw/zinc/33/14/99/492331499.db2.gz SIRXSEBHMHCGBF-RDTXWAMCSA-N 1 3 358.486 0.918 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000642094917 492333870 /nfs/dbraw/zinc/33/38/70/492333870.db2.gz ROONYMSLJCJXOC-OKZBNKHCSA-N 1 3 358.486 0.486 20 0 FCADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642189646 492339157 /nfs/dbraw/zinc/33/91/57/492339157.db2.gz DJETXGAIRLQFMA-ROUUACIJSA-N 1 3 374.485 0.128 20 0 FCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CCCNCC3)CC2)CC1 ZINC000642188651 492339426 /nfs/dbraw/zinc/33/94/26/492339426.db2.gz KBKFMIMANOLZTE-UHFFFAOYSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N(C)Cc1ccccc1 ZINC000642262599 492346553 /nfs/dbraw/zinc/34/65/53/492346553.db2.gz KABAKNQXPFIGGC-VYDXJSESSA-N 1 3 362.474 0.198 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N(C)Cc1ccccc1 ZINC000642262563 492346821 /nfs/dbraw/zinc/34/68/21/492346821.db2.gz BFWHTVFCBXIRDX-NXHRZFHOSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CCO1 ZINC000642330477 492352336 /nfs/dbraw/zinc/35/23/36/492352336.db2.gz MBHYTLPLMJKQHB-ILXRZTDVSA-N 1 3 354.495 0.188 20 0 FCADHO Nc1nn2c(nc(CN3CCC(CCC[NH+]4CCCC4)CC3)cc2=O)[nH]1 ZINC000621269228 492367736 /nfs/dbraw/zinc/36/77/36/492367736.db2.gz OEKIVZGYXWAGGK-UHFFFAOYSA-N 1 3 359.478 0.918 20 0 FCADHO Nc1nn2c([n-]1)nc(C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)cc2=O ZINC000621269228 492367738 /nfs/dbraw/zinc/36/77/38/492367738.db2.gz OEKIVZGYXWAGGK-UHFFFAOYSA-N 1 3 359.478 0.918 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000642722791 492379607 /nfs/dbraw/zinc/37/96/07/492379607.db2.gz BZHBVQSZPXNYMI-ZACQAIPSSA-N 1 3 368.522 0.434 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000642722790 492380195 /nfs/dbraw/zinc/38/01/95/492380195.db2.gz BZHBVQSZPXNYMI-GVDBMIGSSA-N 1 3 368.522 0.434 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642733006 492382580 /nfs/dbraw/zinc/38/25/80/492382580.db2.gz PRIPEYGEECMIGF-SFHVURJKSA-N 1 3 358.486 0.809 20 0 FCADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000642733857 492382810 /nfs/dbraw/zinc/38/28/10/492382810.db2.gz WTNVUXOMTQLZTP-KRWDZBQOSA-N 1 3 358.486 0.664 20 0 FCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000642793724 492393127 /nfs/dbraw/zinc/39/31/27/492393127.db2.gz RKEGHLUXSMPXTC-OAHLLOKOSA-N 1 3 352.479 0.006 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642801821 492396061 /nfs/dbraw/zinc/39/60/61/492396061.db2.gz KPAVGCJTSCSSGH-MJGOQNOKSA-N 1 3 370.497 0.978 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642902296 492398933 /nfs/dbraw/zinc/39/89/33/492398933.db2.gz OYJYOMUMBGLMNP-QZTJIDSGSA-N 1 3 358.486 0.978 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000648105473 492399222 /nfs/dbraw/zinc/39/92/22/492399222.db2.gz BIWYMQSHFAMHCF-BFHYXJOUSA-N 1 3 358.433 0.338 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)CC1 ZINC000655109663 492403804 /nfs/dbraw/zinc/40/38/04/492403804.db2.gz LYMPNXUPHJDDAS-MSOLQXFVSA-N 1 3 353.507 0.839 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000642958608 492406406 /nfs/dbraw/zinc/40/64/06/492406406.db2.gz ZIQXZYGYZWPJHF-NUEKZKHPSA-N 1 3 366.506 0.406 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643003994 492412603 /nfs/dbraw/zinc/41/26/03/492412603.db2.gz HPPFISJVHZLRBJ-QZTJIDSGSA-N 1 3 374.485 0.214 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642990618 492413010 /nfs/dbraw/zinc/41/30/10/492413010.db2.gz NFKQYIIAZYEXDG-UHFFFAOYSA-N 1 3 368.522 0.453 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000627921470 492419452 /nfs/dbraw/zinc/41/94/52/492419452.db2.gz FCXMHSYSEOOICO-BPQIPLTHSA-N 1 3 358.486 0.910 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000627921470 492419454 /nfs/dbraw/zinc/41/94/54/492419454.db2.gz FCXMHSYSEOOICO-BPQIPLTHSA-N 1 3 358.486 0.910 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621838778 492422376 /nfs/dbraw/zinc/42/23/76/492422376.db2.gz JDJOICSSXUHRJX-SPYBWZPUSA-N 1 3 350.507 0.953 20 0 FCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)CN3CCOCC3)C2)CC1 ZINC000635551293 492468931 /nfs/dbraw/zinc/46/89/31/492468931.db2.gz KYLHGMGRNNGVOZ-MRXNPFEDSA-N 1 3 352.523 0.630 20 0 FCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)CN3CCOCC3)C2)CC1 ZINC000635551293 492468933 /nfs/dbraw/zinc/46/89/33/492468933.db2.gz KYLHGMGRNNGVOZ-MRXNPFEDSA-N 1 3 352.523 0.630 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(C)(C)CN3CCOCC3)C2)CC1 ZINC000635551293 492468937 /nfs/dbraw/zinc/46/89/37/492468937.db2.gz KYLHGMGRNNGVOZ-MRXNPFEDSA-N 1 3 352.523 0.630 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)o1 ZINC000643494313 492481553 /nfs/dbraw/zinc/48/15/53/492481553.db2.gz QHFYMPOZKZUUSF-NVXWUHKLSA-N 1 3 362.474 0.689 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CCN(CC)CC)CC[C@@H]1[NH3+] ZINC000643511215 492485848 /nfs/dbraw/zinc/48/58/48/492485848.db2.gz SNACTVPLZIVBFI-CVEARBPZSA-N 1 3 356.511 0.389 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CCO1 ZINC000643524298 492490254 /nfs/dbraw/zinc/49/02/54/492490254.db2.gz DWMFXAHVUOBTGQ-ZFWWWQNUSA-N 1 3 368.503 0.213 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000643531799 492491410 /nfs/dbraw/zinc/49/14/10/492491410.db2.gz LRCARXOKQHFKJE-RYQLBKOJSA-N 1 3 374.485 0.294 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000643545300 492496173 /nfs/dbraw/zinc/49/61/73/492496173.db2.gz XKTCRTDNKNHFSY-MLHJIOFPSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643567606 492499367 /nfs/dbraw/zinc/49/93/67/492499367.db2.gz XOJUIBXNLIDIDM-ZWKOTPCHSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CCO1 ZINC000643577749 492499715 /nfs/dbraw/zinc/49/97/15/492499715.db2.gz SRAYRDRNLRAUFW-GOEBONIOSA-N 1 3 366.462 0.135 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CCO1 ZINC000643577747 492499810 /nfs/dbraw/zinc/49/98/10/492499810.db2.gz SRAYRDRNLRAUFW-GDBMZVCRSA-N 1 3 366.462 0.135 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000655976135 492499929 /nfs/dbraw/zinc/49/99/29/492499929.db2.gz ZMKRDQKESGFKAH-OWCLPIDISA-N 1 3 351.495 0.500 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccco1 ZINC000643590320 492501713 /nfs/dbraw/zinc/50/17/13/492501713.db2.gz OHWVFFNSHNVNBH-WBVHZDCISA-N 1 3 362.474 0.770 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H](N)C3)C2)C1 ZINC000643594090 492503577 /nfs/dbraw/zinc/50/35/77/492503577.db2.gz BOWPAYFFYGSSEU-XAUMDUMWSA-N 1 3 374.460 0.633 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4F)[C@H](N)C3)C2)C1 ZINC000643594090 492503578 /nfs/dbraw/zinc/50/35/78/492503578.db2.gz BOWPAYFFYGSSEU-XAUMDUMWSA-N 1 3 374.460 0.633 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643594500 492503778 /nfs/dbraw/zinc/50/37/78/492503778.db2.gz IIPCVCANYRSFIZ-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)N(C)C)N(C)C ZINC000635928157 492529972 /nfs/dbraw/zinc/52/99/72/492529972.db2.gz YUKUZDJXNGAXMG-IAGOWNOFSA-N 1 3 369.554 0.269 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[C@H](N3CCCCC3)C2)nn1 ZINC000649322369 492533503 /nfs/dbraw/zinc/53/35/03/492533503.db2.gz PKTVATXRPSBNQB-YQQAZPJKSA-N 1 3 362.478 0.067 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347335 492543112 /nfs/dbraw/zinc/54/31/12/492543112.db2.gz QWZQVIZALSPIJT-LSDHHAIUSA-N 1 3 360.458 0.601 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623725397 492586594 /nfs/dbraw/zinc/58/65/94/492586594.db2.gz YAWAQFNMSWKMGT-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623725397 492586599 /nfs/dbraw/zinc/58/65/99/492586599.db2.gz YAWAQFNMSWKMGT-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656320896 492591699 /nfs/dbraw/zinc/59/16/99/492591699.db2.gz XCMYJMUQXZTFAM-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656320896 492591701 /nfs/dbraw/zinc/59/17/01/492591701.db2.gz XCMYJMUQXZTFAM-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656360638 492612724 /nfs/dbraw/zinc/61/27/24/492612724.db2.gz UTTUSZMXQYQZIY-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO O[C@@H](C[NH2+]CCCCN1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC000629558504 492644597 /nfs/dbraw/zinc/64/45/97/492644597.db2.gz BASPJUWHPVHLDH-SFHVURJKSA-N 1 3 362.522 0.425 20 0 FCADHO CCN1C[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000650798426 492669180 /nfs/dbraw/zinc/66/91/80/492669180.db2.gz YDDAGYSFESCFDT-HNNXBMFYSA-N 1 3 365.522 0.713 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624787024 492683546 /nfs/dbraw/zinc/68/35/46/492683546.db2.gz OLALZXBITBMCMD-GOEBONIOSA-N 1 3 351.495 0.765 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624787024 492683549 /nfs/dbraw/zinc/68/35/49/492683549.db2.gz OLALZXBITBMCMD-GOEBONIOSA-N 1 3 351.495 0.765 20 0 FCADHO CCN1C[C@H](CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317225 492741807 /nfs/dbraw/zinc/74/18/07/492741807.db2.gz GQEKPYFKOVXHMJ-DLBZAZTESA-N 1 3 367.538 0.912 20 0 FCADHO CCN1C[C@H](CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000651317225 492741811 /nfs/dbraw/zinc/74/18/11/492741811.db2.gz GQEKPYFKOVXHMJ-DLBZAZTESA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644444323 492755928 /nfs/dbraw/zinc/75/59/28/492755928.db2.gz VZMQCVXVYBXWFR-KFWWJZLASA-N 1 3 350.467 0.554 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644444323 492755932 /nfs/dbraw/zinc/75/59/32/492755932.db2.gz VZMQCVXVYBXWFR-KFWWJZLASA-N 1 3 350.467 0.554 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCCc3cccc(CN)c32)nn1 ZINC000630704190 492767484 /nfs/dbraw/zinc/76/74/84/492767484.db2.gz LTPNPIAVEGAYRK-DOTOQJQBSA-N 1 3 370.457 0.418 20 0 FCADHO CN1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1(C)C ZINC000644497333 492773331 /nfs/dbraw/zinc/77/33/31/492773331.db2.gz DMAFSKNANRULLF-BBWFWOEESA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1(C)C ZINC000644497333 492773332 /nfs/dbraw/zinc/77/33/32/492773332.db2.gz DMAFSKNANRULLF-BBWFWOEESA-N 1 3 367.538 0.299 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000657838460 492801559 /nfs/dbraw/zinc/80/15/59/492801559.db2.gz BFZGOCWBFZKKGQ-UHFFFAOYSA-N 1 3 373.457 0.418 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870262 492806419 /nfs/dbraw/zinc/80/64/19/492806419.db2.gz ISFFUYMQVXMNDY-INIZCTEOSA-N 1 3 359.474 0.530 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870262 492806424 /nfs/dbraw/zinc/80/64/24/492806424.db2.gz ISFFUYMQVXMNDY-INIZCTEOSA-N 1 3 359.474 0.530 20 0 FCADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873518 492807639 /nfs/dbraw/zinc/80/76/39/492807639.db2.gz IPNWQJLPMXTHCU-FQEVSTJZSA-N 1 3 371.485 0.675 20 0 FCADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873518 492807643 /nfs/dbraw/zinc/80/76/43/492807643.db2.gz IPNWQJLPMXTHCU-FQEVSTJZSA-N 1 3 371.485 0.675 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657874467 492808817 /nfs/dbraw/zinc/80/88/17/492808817.db2.gz VJWUHPVXDDOYBY-QGZVFWFLSA-N 1 3 359.474 0.673 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000651848995 492834527 /nfs/dbraw/zinc/83/45/27/492834527.db2.gz PLRCYIQZTZXMIC-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000651848995 492834529 /nfs/dbraw/zinc/83/45/29/492834529.db2.gz PLRCYIQZTZXMIC-AWEZNQCLSA-N 1 3 350.467 0.231 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000631857018 492864697 /nfs/dbraw/zinc/86/46/97/492864697.db2.gz CJKQIECRYXFMQW-CALCHBBNSA-N 1 3 360.568 0.758 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000631857018 492864699 /nfs/dbraw/zinc/86/46/99/492864699.db2.gz CJKQIECRYXFMQW-CALCHBBNSA-N 1 3 360.568 0.758 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000645183656 492876376 /nfs/dbraw/zinc/87/63/76/492876376.db2.gz LRXXHOWMKDSKNZ-KBPBESRZSA-N 1 3 350.488 0.869 20 0 FCADHO CN(C)CCn1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000631911141 492877664 /nfs/dbraw/zinc/87/76/64/492877664.db2.gz WSIRPGSPPPVJKY-ZWKOTPCHSA-N 1 3 363.506 0.942 20 0 FCADHO COC[C@]1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC[NH2+]C1 ZINC000645507821 492916223 /nfs/dbraw/zinc/91/62/23/492916223.db2.gz XHQWWGBRUHKVOM-FQEVSTJZSA-N 1 3 360.502 0.676 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652375937 492919520 /nfs/dbraw/zinc/91/95/20/492919520.db2.gz KMFOPRDQNHWGOF-RDJZCZTQSA-N 1 3 369.535 0.811 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@H]3C[NH2+]CCCO3)cc21 ZINC000638264263 492926200 /nfs/dbraw/zinc/92/62/00/492926200.db2.gz FTFRWQDOPKDKMB-AWEZNQCLSA-N 1 3 361.446 0.412 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000652458696 492938887 /nfs/dbraw/zinc/93/88/87/492938887.db2.gz UDQYQMKHENGXKE-KRWDZBQOSA-N 1 3 350.507 0.875 20 0 FCADHO CN(C)C(=O)CCN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638524517 492958065 /nfs/dbraw/zinc/95/80/65/492958065.db2.gz PSOCWOGUVYFSHQ-UHFFFAOYSA-N 1 3 354.539 0.754 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000645819329 492977412 /nfs/dbraw/zinc/97/74/12/492977412.db2.gz LCUQJUXZCFNMHO-SFHVURJKSA-N 1 3 362.478 0.328 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000645819329 492977416 /nfs/dbraw/zinc/97/74/16/492977416.db2.gz LCUQJUXZCFNMHO-SFHVURJKSA-N 1 3 362.478 0.328 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903948 492985339 /nfs/dbraw/zinc/98/53/39/492985339.db2.gz JGDQJSSBMOPPAU-FUHWJXTLSA-N 1 3 369.473 0.817 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903948 492985343 /nfs/dbraw/zinc/98/53/43/492985343.db2.gz JGDQJSSBMOPPAU-FUHWJXTLSA-N 1 3 369.473 0.817 20 0 FCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684572 492989789 /nfs/dbraw/zinc/98/97/89/492989789.db2.gz ROWUBUHKKYARPG-LUKYLMHMSA-N 1 3 368.522 0.578 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693219 492991907 /nfs/dbraw/zinc/99/19/07/492991907.db2.gz PPEBSOJPAZSLQL-GVDBMIGSSA-N 1 3 368.522 0.579 20 0 FCADHO CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000652704538 492995515 /nfs/dbraw/zinc/99/55/15/492995515.db2.gz MXWFGJDHRZFHRX-MRXNPFEDSA-N 1 3 354.495 0.252 20 0 FCADHO CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000652704538 492995516 /nfs/dbraw/zinc/99/55/16/492995516.db2.gz MXWFGJDHRZFHRX-MRXNPFEDSA-N 1 3 354.495 0.252 20 0 FCADHO CN1CCC[C@H](N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003162 492998789 /nfs/dbraw/zinc/99/87/89/492998789.db2.gz VCVINLINPWAVDG-MSOLQXFVSA-N 1 3 360.506 0.660 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000652737500 493014431 /nfs/dbraw/zinc/01/44/31/493014431.db2.gz LXSIOIZSEMABLH-IRXDYDNUSA-N 1 3 350.507 0.779 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771406 493047013 /nfs/dbraw/zinc/04/70/13/493047013.db2.gz VYVXSEICNUXHMT-AEFFLSMTSA-N 1 3 353.507 0.887 20 0 FCADHO C[C@]1(CO)C[C@H](O)CN1Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639849633 493055696 /nfs/dbraw/zinc/05/56/96/493055696.db2.gz PWLBXVYFQCCSMT-VNTMZGSJSA-N 1 3 364.486 0.322 20 0 FCADHO C[C@]1(CO)C[C@H](O)CN1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000639849633 493055699 /nfs/dbraw/zinc/05/56/99/493055699.db2.gz PWLBXVYFQCCSMT-VNTMZGSJSA-N 1 3 364.486 0.322 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000627011958 493080036 /nfs/dbraw/zinc/08/00/36/493080036.db2.gz NJINSZONBYLMIR-QGZVFWFLSA-N 1 3 350.463 0.370 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000627019896 493082074 /nfs/dbraw/zinc/08/20/74/493082074.db2.gz UKEONGVMLGGRGA-SFHVURJKSA-N 1 3 364.490 0.894 20 0 FCADHO N[C@@H]1CCCCN(CC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000653181308 493082161 /nfs/dbraw/zinc/08/21/61/493082161.db2.gz DOPIYMAKHFFEGS-JJXSEGSLSA-N 1 3 352.479 0.071 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCN(c2ccncc2)CC1 ZINC000627227485 493110838 /nfs/dbraw/zinc/11/08/38/493110838.db2.gz JXRBUMLTDROFBW-INIZCTEOSA-N 1 3 356.434 0.239 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633085306 493118402 /nfs/dbraw/zinc/11/84/02/493118402.db2.gz QFKHPWMDKDZQTI-GJZGRUSLSA-N 1 3 366.412 0.428 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259661 493121923 /nfs/dbraw/zinc/12/19/23/493121923.db2.gz XHBHHQHJWCPJRE-UXHICEINSA-N 1 3 372.513 0.715 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259661 493121926 /nfs/dbraw/zinc/12/19/26/493121926.db2.gz XHBHHQHJWCPJRE-UXHICEINSA-N 1 3 372.513 0.715 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627293456 493137364 /nfs/dbraw/zinc/13/73/64/493137364.db2.gz UHYKBAPSEHCULD-WCQYABFASA-N 1 3 364.412 0.573 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCN1C ZINC000627305008 493143506 /nfs/dbraw/zinc/14/35/06/493143506.db2.gz LJDYWHOHZBYVRZ-LPWJVIDDSA-N 1 3 364.412 0.571 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000627314168 493147372 /nfs/dbraw/zinc/14/73/72/493147372.db2.gz WVUKURGUTAYJMC-UHFFFAOYSA-N 1 3 356.536 0.662 20 0 FCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091756 493161803 /nfs/dbraw/zinc/16/18/03/493161803.db2.gz HKOIBAAYYZEUQQ-KSZLIROESA-N 1 3 371.485 0.303 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659441386 493177779 /nfs/dbraw/zinc/17/77/79/493177779.db2.gz SYLHXYKRHMIVNZ-PXAZEXFGSA-N 1 3 350.467 0.951 20 0 FCADHO CN1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000627368538 493183236 /nfs/dbraw/zinc/18/32/36/493183236.db2.gz XHUKAWUNKXHERU-NFAWXSAZSA-N 1 3 350.488 0.725 20 0 FCADHO CC[C@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC[C@H]1[NH3+] ZINC000647270484 493188031 /nfs/dbraw/zinc/18/80/31/493188031.db2.gz ZXDVMVZKYLWYQW-LSDHHAIUSA-N 1 3 357.524 0.809 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659470734 493188645 /nfs/dbraw/zinc/18/86/45/493188645.db2.gz IKVYAHUYMDKLAH-ZDUSSCGKSA-N 1 3 350.467 0.808 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659470734 493188648 /nfs/dbraw/zinc/18/86/48/493188648.db2.gz IKVYAHUYMDKLAH-ZDUSSCGKSA-N 1 3 350.467 0.808 20 0 FCADHO COCC1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659539316 493209619 /nfs/dbraw/zinc/20/96/19/493209619.db2.gz KHUHXYCRJQPPJU-INIZCTEOSA-N 1 3 354.495 0.555 20 0 FCADHO [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000666663790 493211887 /nfs/dbraw/zinc/21/18/87/493211887.db2.gz RFVAAJQNBLJPBH-UHFFFAOYSA-N 1 3 369.425 0.706 20 0 FCADHO O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000666663787 493212184 /nfs/dbraw/zinc/21/21/84/493212184.db2.gz RBQWWOMFJAECKX-UHFFFAOYSA-N 1 3 351.410 0.972 20 0 FCADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000681765322 493215270 /nfs/dbraw/zinc/21/52/70/493215270.db2.gz NRTOXEUOYZVRKT-TZIWHRDSSA-N 1 3 372.513 0.472 20 0 FCADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000681765322 493215275 /nfs/dbraw/zinc/21/52/75/493215275.db2.gz NRTOXEUOYZVRKT-TZIWHRDSSA-N 1 3 372.513 0.472 20 0 FCADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)N1CCOC2(CNC2)C1 ZINC000659581241 493215874 /nfs/dbraw/zinc/21/58/74/493215874.db2.gz JFMKWEKVKWASMH-BBRMVZONSA-N 1 3 366.412 0.794 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000672695469 493234242 /nfs/dbraw/zinc/23/42/42/493234242.db2.gz HLISZMHZDNVDLX-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000672719422 493239247 /nfs/dbraw/zinc/23/92/47/493239247.db2.gz QUSKFGIASVTRPK-GFCCVEGCSA-N 1 3 353.467 0.420 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000659687768 493253310 /nfs/dbraw/zinc/25/33/10/493253310.db2.gz MLGPEKRDCDNNQL-RDJZCZTQSA-N 1 3 362.474 0.118 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000659687767 493253604 /nfs/dbraw/zinc/25/36/04/493253604.db2.gz MLGPEKRDCDNNQL-NVXWUHKLSA-N 1 3 362.474 0.118 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000667151286 493262246 /nfs/dbraw/zinc/26/22/46/493262246.db2.gz GIUOLGMGHJSPBP-HNNXBMFYSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000667151286 493262250 /nfs/dbraw/zinc/26/22/50/493262250.db2.gz GIUOLGMGHJSPBP-HNNXBMFYSA-N 1 3 350.467 0.508 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672899345 493264380 /nfs/dbraw/zinc/26/43/80/493264380.db2.gz ZAFCCUIVRIYTNJ-QGZVFWFLSA-N 1 3 369.554 0.358 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719534 493271268 /nfs/dbraw/zinc/27/12/68/493271268.db2.gz YSVHTLXLYQMFGP-DZKIICNBSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719534 493271270 /nfs/dbraw/zinc/27/12/70/493271270.db2.gz YSVHTLXLYQMFGP-DZKIICNBSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659730797 493276786 /nfs/dbraw/zinc/27/67/86/493276786.db2.gz VHVJAWJYECBXGF-HXUWFJFHSA-N 1 3 373.501 0.607 20 0 FCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659730270 493277036 /nfs/dbraw/zinc/27/70/36/493277036.db2.gz QYMVKXVDEKEPDM-SFHVURJKSA-N 1 3 373.501 0.750 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659738642 493279956 /nfs/dbraw/zinc/27/99/56/493279956.db2.gz HIWJPFLJLDEZQT-BBWFWOEESA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000682222435 493280151 /nfs/dbraw/zinc/28/01/51/493280151.db2.gz VYQUBXDZXGXVIX-UHFFFAOYSA-N 1 3 363.462 0.045 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659739287 493280455 /nfs/dbraw/zinc/28/04/55/493280455.db2.gz QHMSZYYUYLEBPA-IMJJTQAJSA-N 1 3 352.479 0.084 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000667536579 493288946 /nfs/dbraw/zinc/28/89/46/493288946.db2.gz CZIHBKDIWCMPLU-WMLDXEAASA-N 1 3 360.458 0.776 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000667558013 493289856 /nfs/dbraw/zinc/28/98/56/493289856.db2.gz RFQGGSPCPQSZRE-HNNXBMFYSA-N 1 3 361.490 0.927 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000682352431 493293423 /nfs/dbraw/zinc/29/34/23/493293423.db2.gz MCKMOPNTLRZZHY-AWEZNQCLSA-N 1 3 350.467 0.372 20 0 FCADHO CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000673470511 493332232 /nfs/dbraw/zinc/33/22/32/493332232.db2.gz OSZWOOFFTBREIC-HOTGVXAUSA-N 1 3 356.511 0.258 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581693 493378278 /nfs/dbraw/zinc/37/82/78/493378278.db2.gz JNGRDNCYOGVQAZ-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000674329486 493409044 /nfs/dbraw/zinc/40/90/44/493409044.db2.gz CORVLUXGHBYTJL-INIZCTEOSA-N 1 3 368.522 0.897 20 0 FCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000668826704 493416274 /nfs/dbraw/zinc/41/62/74/493416274.db2.gz JMGSGKUBQWTGHG-GOSISDBHSA-N 1 3 362.518 0.825 20 0 FCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000668826705 493416395 /nfs/dbraw/zinc/41/63/95/493416395.db2.gz JMGSGKUBQWTGHG-SFHVURJKSA-N 1 3 362.518 0.825 20 0 FCADHO C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661598085 493449924 /nfs/dbraw/zinc/44/99/24/493449924.db2.gz ODGPNRUCBLKULX-ZBRFXRBCSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661598085 493449926 /nfs/dbraw/zinc/44/99/26/493449926.db2.gz ODGPNRUCBLKULX-ZBRFXRBCSA-N 1 3 362.518 0.966 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000669104544 493463194 /nfs/dbraw/zinc/46/31/94/493463194.db2.gz KMXANDISUXATBQ-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000669104544 493463198 /nfs/dbraw/zinc/46/31/98/493463198.db2.gz KMXANDISUXATBQ-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO CC(C)N1CCO[C@@H](CN2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264077 493502000 /nfs/dbraw/zinc/50/20/00/493502000.db2.gz PSKJPYQBYFEGRJ-MSOLQXFVSA-N 1 3 352.523 0.234 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291427 493503723 /nfs/dbraw/zinc/50/37/23/493503723.db2.gz RZEYRBZDBJODAE-RHSMWYFYSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000662293784 493504820 /nfs/dbraw/zinc/50/48/20/493504820.db2.gz NTRJFFURCJLABW-SFHVURJKSA-N 1 3 372.517 0.837 20 0 FCADHO Cn1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1=O ZINC000662337953 493507454 /nfs/dbraw/zinc/50/74/54/493507454.db2.gz OECTWSJQTWMPEP-MRXNPFEDSA-N 1 3 356.474 0.898 20 0 FCADHO Cn1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1=O ZINC000662337953 493507457 /nfs/dbraw/zinc/50/74/57/493507457.db2.gz OECTWSJQTWMPEP-MRXNPFEDSA-N 1 3 356.474 0.898 20 0 FCADHO O=C1CCC(=O)N1CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338935 493507701 /nfs/dbraw/zinc/50/77/01/493507701.db2.gz XGGWODVPUGBGJV-CQSZACIVSA-N 1 3 360.462 0.148 20 0 FCADHO N[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1c1cccc(F)c1 ZINC000662575361 493526597 /nfs/dbraw/zinc/52/65/97/493526597.db2.gz OGDYYSIUYFUIHD-JKSUJKDBSA-N 1 3 358.421 0.909 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638715 493529524 /nfs/dbraw/zinc/52/95/24/493529524.db2.gz VLDQDXYQQNYWFK-KRWDZBQOSA-N 1 3 359.474 0.278 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662682560 493531678 /nfs/dbraw/zinc/53/16/78/493531678.db2.gz JOEGLNKIIYCGIA-IAGOWNOFSA-N 1 3 360.458 0.686 20 0 FCADHO [NH3+]CCn1cc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)nn1 ZINC000662707847 493533600 /nfs/dbraw/zinc/53/36/00/493533600.db2.gz MZJVIFNCYXNDBL-UHFFFAOYSA-N 1 3 358.446 0.693 20 0 FCADHO CN(CCN1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721069 493534940 /nfs/dbraw/zinc/53/49/40/493534940.db2.gz PUAZULUPNFUFMI-RTBURBONSA-N 1 3 360.502 0.626 20 0 FCADHO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCN(c2ccncc2)CC1 ZINC000662754489 493538525 /nfs/dbraw/zinc/53/85/25/493538525.db2.gz PGNVDKGZPIUPNU-MRXNPFEDSA-N 1 3 355.446 0.950 20 0 FCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000662758778 493539937 /nfs/dbraw/zinc/53/99/37/493539937.db2.gz TUJDNNADCIZWAU-MOPGFXCFSA-N 1 3 360.502 0.674 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836936 493545996 /nfs/dbraw/zinc/54/59/96/493545996.db2.gz IPYVIZVOSMFXAH-KBPBESRZSA-N 1 3 362.478 0.459 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836936 493545998 /nfs/dbraw/zinc/54/59/98/493545998.db2.gz IPYVIZVOSMFXAH-KBPBESRZSA-N 1 3 362.478 0.459 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000662953550 493560142 /nfs/dbraw/zinc/56/01/42/493560142.db2.gz KHAKSASESKBNSK-QZTJIDSGSA-N 1 3 358.486 0.569 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H](CN)C1 ZINC000662982143 493564157 /nfs/dbraw/zinc/56/41/57/493564157.db2.gz BFFWDPUZWXXATH-OIISXLGYSA-N 1 3 350.507 0.763 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000670708631 493589504 /nfs/dbraw/zinc/58/95/04/493589504.db2.gz IGQISCBUSVPKJG-UHFFFAOYSA-N 1 3 367.538 0.075 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000670997128 493622187 /nfs/dbraw/zinc/62/21/87/493622187.db2.gz BYXRFYBOWWXKDV-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071264 493629116 /nfs/dbraw/zinc/62/91/16/493629116.db2.gz SLJYFOODRRUUFM-CPUCHLNUSA-N 1 3 354.520 0.283 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071264 493629117 /nfs/dbraw/zinc/62/91/17/493629117.db2.gz SLJYFOODRRUUFM-CPUCHLNUSA-N 1 3 354.520 0.283 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071267 493629285 /nfs/dbraw/zinc/62/92/85/493629285.db2.gz SLJYFOODRRUUFM-VBQJREDUSA-N 1 3 354.520 0.283 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC000671071267 493629288 /nfs/dbraw/zinc/62/92/88/493629288.db2.gz SLJYFOODRRUUFM-VBQJREDUSA-N 1 3 354.520 0.283 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664003758 493629417 /nfs/dbraw/zinc/62/94/17/493629417.db2.gz SUJJXZNAAZCMLW-MRXNPFEDSA-N 1 3 355.527 0.768 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000664003758 493629420 /nfs/dbraw/zinc/62/94/20/493629420.db2.gz SUJJXZNAAZCMLW-MRXNPFEDSA-N 1 3 355.527 0.768 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000671071987 493630099 /nfs/dbraw/zinc/63/00/99/493630099.db2.gz YUWLRCCVWDGRRY-KRWDZBQOSA-N 1 3 356.536 0.388 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000664646983 493674834 /nfs/dbraw/zinc/67/48/34/493674834.db2.gz JUFULZTUJWSMIL-QGZVFWFLSA-N 1 3 356.511 0.897 20 0 FCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(CCO)CC2)C1 ZINC000671619171 493698375 /nfs/dbraw/zinc/69/83/75/493698375.db2.gz ZZUOSVRTAYCZIK-IRXDYDNUSA-N 1 3 354.495 0.338 20 0 FCADHO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000680012558 493705383 /nfs/dbraw/zinc/70/53/83/493705383.db2.gz SJFGUXUAJKNOBE-GOSISDBHSA-N 1 3 366.550 0.972 20 0 FCADHO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000680012558 493705385 /nfs/dbraw/zinc/70/53/85/493705385.db2.gz SJFGUXUAJKNOBE-GOSISDBHSA-N 1 3 366.550 0.972 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000671880932 493710598 /nfs/dbraw/zinc/71/05/98/493710598.db2.gz YFPKZIKIWZLHMX-DLBZAZTESA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000671880932 493710599 /nfs/dbraw/zinc/71/05/99/493710599.db2.gz YFPKZIKIWZLHMX-DLBZAZTESA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010238 493724178 /nfs/dbraw/zinc/72/41/78/493724178.db2.gz MPARPUBOLJUKLX-JKSUJKDBSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672014049 493725034 /nfs/dbraw/zinc/72/50/34/493725034.db2.gz POQDHXKLAABIQG-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C[NH+]1CCCCC1 ZINC000672305725 493751635 /nfs/dbraw/zinc/75/16/35/493751635.db2.gz BEIPGDAEGIJPEU-DOTOQJQBSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309458 493754012 /nfs/dbraw/zinc/75/40/12/493754012.db2.gz NOJRHVKMBJCFGA-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309458 493754014 /nfs/dbraw/zinc/75/40/14/493754014.db2.gz NOJRHVKMBJCFGA-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011216 674338291 /nfs/dbraw/zinc/33/82/91/674338291.db2.gz QGDVTLAJILEDCK-HOTGVXAUSA-N 1 3 354.495 0.155 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011216 674338292 /nfs/dbraw/zinc/33/82/92/674338292.db2.gz QGDVTLAJILEDCK-HOTGVXAUSA-N 1 3 354.495 0.155 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1C ZINC000410700408 527921513 /nfs/dbraw/zinc/92/15/13/527921513.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@H]1C ZINC000410700408 527921514 /nfs/dbraw/zinc/92/15/14/527921514.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C ZINC000410700408 527921516 /nfs/dbraw/zinc/92/15/16/527921516.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 1 3 369.554 0.269 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000410503885 528122335 /nfs/dbraw/zinc/12/23/35/528122335.db2.gz PHRYBKBLMBWMOT-MRXNPFEDSA-N 1 3 356.511 0.356 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000174321761 528580321 /nfs/dbraw/zinc/58/03/21/528580321.db2.gz WFTWFGIMJIPWFT-GOSISDBHSA-N 1 3 354.539 0.876 20 0 FCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)C(C)C ZINC000410521940 528886813 /nfs/dbraw/zinc/88/68/13/528886813.db2.gz CTJVIDVAIPDNOQ-INIZCTEOSA-N 1 3 356.511 0.353 20 0 FCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)C(C)C ZINC000410521941 528887428 /nfs/dbraw/zinc/88/74/28/528887428.db2.gz CTJVIDVAIPDNOQ-MRXNPFEDSA-N 1 3 356.511 0.353 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419198958 535069750 /nfs/dbraw/zinc/06/97/50/535069750.db2.gz DCLZQIUJGMEIJY-MRXNPFEDSA-N 1 3 350.463 0.343 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419697108 535071982 /nfs/dbraw/zinc/07/19/82/535071982.db2.gz NUJZRLJMBYUHFS-IXDOHACOSA-N 1 3 350.507 0.966 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419908853 535159432 /nfs/dbraw/zinc/15/94/32/535159432.db2.gz JYRZSZYIAIYNIC-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000419951002 535304594 /nfs/dbraw/zinc/30/45/94/535304594.db2.gz IXJDNIHNSHWCFI-OAHLLOKOSA-N 1 3 356.511 0.435 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420198974 535866096 /nfs/dbraw/zinc/86/60/96/535866096.db2.gz CSGQMSXAJSGWSI-BZUAXINKSA-N 1 3 362.474 0.674 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799710 535880136 /nfs/dbraw/zinc/88/01/36/535880136.db2.gz CSUSQXLUERIBJR-IAGOWNOFSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775937 535940699 /nfs/dbraw/zinc/94/06/99/535940699.db2.gz PVGBYDQWYMNESS-HUUCEWRRSA-N 1 3 352.866 0.927 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000419136511 536416572 /nfs/dbraw/zinc/41/65/72/536416572.db2.gz PGTSGUOIWPXCBN-HNNXBMFYSA-N 1 3 364.515 0.897 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000419771517 536481838 /nfs/dbraw/zinc/48/18/38/536481838.db2.gz XSOHOMBHNVKKCX-MSOLQXFVSA-N 1 3 358.486 0.867 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419449749 536495805 /nfs/dbraw/zinc/49/58/05/536495805.db2.gz KIYYAUULIYASDV-UHFFFAOYSA-N 1 3 354.495 0.063 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419749456 536747309 /nfs/dbraw/zinc/74/73/09/536747309.db2.gz GVWAHVQKDRQJBR-AWEZNQCLSA-N 1 3 354.495 0.332 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417547218 536751237 /nfs/dbraw/zinc/75/12/37/536751237.db2.gz NXONENPDYJGCER-UHFFFAOYSA-N 1 3 355.527 0.470 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC000550843529 547111549 /nfs/dbraw/zinc/11/15/49/547111549.db2.gz TUVYSOVACURGEA-GOSISDBHSA-N 1 3 370.563 0.919 20 0 FCADHO CN(C)[C@]1(CNC(=O)NCCN2CCC([NH+](C)C)CC2)CCSC1 ZINC000551039114 547121531 /nfs/dbraw/zinc/12/15/31/547121531.db2.gz LGFNEVCVPRSGIF-KRWDZBQOSA-N 1 3 357.568 0.749 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCSC1 ZINC000551217341 547135401 /nfs/dbraw/zinc/13/54/01/547135401.db2.gz MLSCMBATODCUIP-QGZVFWFLSA-N 1 3 356.536 0.388 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000551217934 547135554 /nfs/dbraw/zinc/13/55/54/547135554.db2.gz YOTFEURCWNORAO-KRWDZBQOSA-N 1 3 354.520 0.283 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216693 547135711 /nfs/dbraw/zinc/13/57/11/547135711.db2.gz ABTLKDJSVHEUOO-KSSFIOAISA-N 1 3 368.547 0.673 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216693 547135717 /nfs/dbraw/zinc/13/57/17/547135717.db2.gz ABTLKDJSVHEUOO-KSSFIOAISA-N 1 3 368.547 0.673 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000953976957 674487445 /nfs/dbraw/zinc/48/74/45/674487445.db2.gz DYVJPARMACMWLA-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000953976957 674487446 /nfs/dbraw/zinc/48/74/46/674487446.db2.gz DYVJPARMACMWLA-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954502831 674498468 /nfs/dbraw/zinc/49/84/68/674498468.db2.gz SHUBJONEHUTCJH-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954502831 674498469 /nfs/dbraw/zinc/49/84/69/674498469.db2.gz SHUBJONEHUTCJH-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000957499333 674544699 /nfs/dbraw/zinc/54/46/99/674544699.db2.gz JJHIHHFPHFFGHC-BZUAXINKSA-N 1 3 350.507 0.632 20 0 FCADHO CN1CCN(CCCCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891579967 663416907 /nfs/dbraw/zinc/41/69/07/663416907.db2.gz QIPVBOLLZGCQTM-UONOGXRCSA-N 1 3 365.444 0.793 20 0 FCADHO CC(C)[NH2+]CCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000891988883 663464083 /nfs/dbraw/zinc/46/40/83/663464083.db2.gz WZIZIMXKNDRUSX-UHFFFAOYSA-N 1 3 353.511 0.890 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001023377920 663620280 /nfs/dbraw/zinc/62/02/80/663620280.db2.gz XUIOAYZFNFLHMR-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001023377920 663620282 /nfs/dbraw/zinc/62/02/82/663620282.db2.gz XUIOAYZFNFLHMR-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1)N(C)C ZINC000972663889 663802732 /nfs/dbraw/zinc/80/27/32/663802732.db2.gz CUOOCADGJKTCAV-VQHPVUNQSA-N 1 3 352.523 0.972 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C[C@H]21)[NH+](C)C ZINC000972664713 663803218 /nfs/dbraw/zinc/80/32/18/663803218.db2.gz KNYLTDHUGWJSJU-VQHPVUNQSA-N 1 3 350.507 0.726 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC000972967101 664025783 /nfs/dbraw/zinc/02/57/83/664025783.db2.gz QHUFKIOWOSDLLQ-QBPKDAKJSA-N 1 3 352.523 0.972 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973332115 664099865 /nfs/dbraw/zinc/09/98/65/664099865.db2.gz HHPFZKCFXJUPGY-WRQOLXDDSA-N 1 3 350.507 0.964 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973332115 664099866 /nfs/dbraw/zinc/09/98/66/664099866.db2.gz HHPFZKCFXJUPGY-WRQOLXDDSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892865138 664150634 /nfs/dbraw/zinc/15/06/34/664150634.db2.gz GDSHLDNIVLUNES-RHSMWYFYSA-N 1 3 367.515 0.891 20 0 FCADHO COC(=O)c1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C ZINC000889081082 664203504 /nfs/dbraw/zinc/20/35/04/664203504.db2.gz VURZWIDFHJPNIV-LBPRGKRZSA-N 1 3 354.455 0.600 20 0 FCADHO COC(=O)c1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C ZINC000889081082 664203505 /nfs/dbraw/zinc/20/35/05/664203505.db2.gz VURZWIDFHJPNIV-LBPRGKRZSA-N 1 3 354.455 0.600 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974125204 664223770 /nfs/dbraw/zinc/22/37/70/664223770.db2.gz CPLWEYHJMTZEPW-UUAJXVIYSA-N 1 3 350.507 0.963 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974125204 664223772 /nfs/dbraw/zinc/22/37/72/664223772.db2.gz CPLWEYHJMTZEPW-UUAJXVIYSA-N 1 3 350.507 0.963 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027417489 664399283 /nfs/dbraw/zinc/39/92/83/664399283.db2.gz ZUNZMMFKTMHWKU-BZUAXINKSA-N 1 3 351.495 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027417489 664399284 /nfs/dbraw/zinc/39/92/84/664399284.db2.gz ZUNZMMFKTMHWKU-BZUAXINKSA-N 1 3 351.495 0.275 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000977813546 664424304 /nfs/dbraw/zinc/42/43/04/664424304.db2.gz FBZOCJWQLWGZRN-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000977813546 664424306 /nfs/dbraw/zinc/42/43/06/664424306.db2.gz FBZOCJWQLWGZRN-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894163739 664902063 /nfs/dbraw/zinc/90/20/63/664902063.db2.gz GQGNDYMXDOYLGB-SJORKVTESA-N 1 3 356.511 0.585 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727084474 665024353 /nfs/dbraw/zinc/02/43/53/665024353.db2.gz DTLWNSSRYGBZIP-OAHLLOKOSA-N 1 3 371.595 0.981 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000984900143 665114647 /nfs/dbraw/zinc/11/46/47/665114647.db2.gz XBLGLFZRONWIJM-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000984900143 665114650 /nfs/dbraw/zinc/11/46/50/665114650.db2.gz XBLGLFZRONWIJM-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000988010158 665271955 /nfs/dbraw/zinc/27/19/55/665271955.db2.gz HFMNNLWLENKERM-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000988010158 665271956 /nfs/dbraw/zinc/27/19/56/665271956.db2.gz HFMNNLWLENKERM-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000897443586 665288570 /nfs/dbraw/zinc/28/85/70/665288570.db2.gz XSIPOLXEGWSASG-CVEARBPZSA-N 1 3 351.495 0.276 20 0 FCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000897443586 665288572 /nfs/dbraw/zinc/28/85/72/665288572.db2.gz XSIPOLXEGWSASG-CVEARBPZSA-N 1 3 351.495 0.276 20 0 FCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000897480388 665292292 /nfs/dbraw/zinc/29/22/92/665292292.db2.gz YQXNDYVOBCKARN-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000897480388 665292294 /nfs/dbraw/zinc/29/22/94/665292294.db2.gz YQXNDYVOBCKARN-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000938040636 665313447 /nfs/dbraw/zinc/31/34/47/665313447.db2.gz SSFVTODCOVKLEH-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC[N@H+]1C ZINC000938040636 665313453 /nfs/dbraw/zinc/31/34/53/665313453.db2.gz SSFVTODCOVKLEH-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCCC3)C2)CC[N@@H+]1C ZINC000991854475 666592565 /nfs/dbraw/zinc/59/25/65/666592565.db2.gz VXZUAXKPGQBXIB-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCCC3)C2)CC[N@H+]1C ZINC000991854475 666592568 /nfs/dbraw/zinc/59/25/68/666592568.db2.gz VXZUAXKPGQBXIB-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000734274700 666958672 /nfs/dbraw/zinc/95/86/72/666958672.db2.gz LIYDVCQENMZMIR-WBVHZDCISA-N 1 3 354.495 0.602 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994217643 666979389 /nfs/dbraw/zinc/97/93/89/666979389.db2.gz QBYJEKJEJPLPJI-DJIMGWMZSA-N 1 3 350.507 0.633 20 0 FCADHO CCCCn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000997015269 667065434 /nfs/dbraw/zinc/06/54/34/667065434.db2.gz GXZGBDUNOJTKNC-CJNGLKHVSA-N 1 3 350.467 0.979 20 0 FCADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1=O ZINC000997013291 667065568 /nfs/dbraw/zinc/06/55/68/667065568.db2.gz WUTQHKDYPQPEPY-IPYPFGDCSA-N 1 3 350.463 0.089 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001034217809 667749637 /nfs/dbraw/zinc/74/96/37/667749637.db2.gz VINUYZMUATURFZ-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCN3CCCC3=O)C2)CC[N@H+]1C ZINC001034217809 667749643 /nfs/dbraw/zinc/74/96/43/667749643.db2.gz VINUYZMUATURFZ-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@@H](C)C(N)=O)C3)CC2)CC[N@@H+]1C ZINC001035188295 667775558 /nfs/dbraw/zinc/77/55/58/667775558.db2.gz YRWVKUTWVYVGOQ-HRCADAONSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@@H](C)C(N)=O)C3)CC2)CC[N@H+]1C ZINC001035188295 667775561 /nfs/dbraw/zinc/77/55/61/667775561.db2.gz YRWVKUTWVYVGOQ-HRCADAONSA-N 1 3 350.507 0.905 20 0 FCADHO CC(C)N1CC[NH+](C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 ZINC000761033040 667873716 /nfs/dbraw/zinc/87/37/16/667873716.db2.gz PXTGQPOUBUVRSK-UHFFFAOYSA-N 1 3 352.523 0.726 20 0 FCADHO CC(C)[NH+]1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 ZINC000761033040 667873721 /nfs/dbraw/zinc/87/37/21/667873721.db2.gz PXTGQPOUBUVRSK-UHFFFAOYSA-N 1 3 352.523 0.726 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000739020053 667935280 /nfs/dbraw/zinc/93/52/80/667935280.db2.gz CFADZUQVDTXQIJ-DLBZAZTESA-N 1 3 354.495 0.650 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743392972 668047485 /nfs/dbraw/zinc/04/74/85/668047485.db2.gz FMTOHYFLWVCZHQ-HNNXBMFYSA-N 1 3 351.495 0.624 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743392972 668047486 /nfs/dbraw/zinc/04/74/86/668047486.db2.gz FMTOHYFLWVCZHQ-HNNXBMFYSA-N 1 3 351.495 0.624 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000774788118 668173831 /nfs/dbraw/zinc/17/38/31/668173831.db2.gz HNZBUJYCGXXKEE-JKSUJKDBSA-N 1 3 354.495 0.201 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000774788111 668173877 /nfs/dbraw/zinc/17/38/77/668173877.db2.gz HNZBUJYCGXXKEE-HOTGVXAUSA-N 1 3 354.495 0.201 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)N1CCCCC1 ZINC000793728587 668946192 /nfs/dbraw/zinc/94/61/92/668946192.db2.gz VQZWLAIWJBTYDM-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)N1CCCCC1 ZINC000793728587 668946195 /nfs/dbraw/zinc/94/61/95/668946195.db2.gz VQZWLAIWJBTYDM-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)N1CCCCC1 ZINC000793728594 668946209 /nfs/dbraw/zinc/94/62/09/668946209.db2.gz VQZWLAIWJBTYDM-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)N1CCCCC1 ZINC000793728594 668946213 /nfs/dbraw/zinc/94/62/13/668946213.db2.gz VQZWLAIWJBTYDM-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000830509974 669788983 /nfs/dbraw/zinc/78/89/83/669788983.db2.gz DXWDJBRUPWFWGN-INIZCTEOSA-N 1 3 354.495 0.202 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000830509974 669788987 /nfs/dbraw/zinc/78/89/87/669788987.db2.gz DXWDJBRUPWFWGN-INIZCTEOSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000842014885 670625831 /nfs/dbraw/zinc/62/58/31/670625831.db2.gz GCPPFDWSUAWABL-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)Cc1cnc(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000843047561 670770543 /nfs/dbraw/zinc/77/05/43/670770543.db2.gz WNSJJUYWOFCNCN-AWEZNQCLSA-N 1 3 351.520 0.849 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182116 670906163 /nfs/dbraw/zinc/90/61/63/670906163.db2.gz DPGGYXGFNQVIBN-KRWDZBQOSA-N 1 3 350.463 0.689 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000849052374 671316422 /nfs/dbraw/zinc/31/64/22/671316422.db2.gz UZIVAKQEWKQVIY-ZNMIVQPWSA-N 1 3 359.540 0.693 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)CC)CC1 ZINC000849081760 671317224 /nfs/dbraw/zinc/31/72/24/671317224.db2.gz CAAOOILBDYZLRH-OAHLLOKOSA-N 1 3 359.540 0.646 20 0 FCADHO C[N@H+](C[C@H](O)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174255 671492455 /nfs/dbraw/zinc/49/24/55/671492455.db2.gz XXLLHKJMDFNVPK-OAHLLOKOSA-N 1 3 357.495 0.793 20 0 FCADHO C[N@@H+](C[C@H](O)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174255 671492457 /nfs/dbraw/zinc/49/24/57/671492457.db2.gz XXLLHKJMDFNVPK-OAHLLOKOSA-N 1 3 357.495 0.793 20 0 FCADHO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@@H](O)CN1CCCC1)C(F)(F)F ZINC000863550898 672136455 /nfs/dbraw/zinc/13/64/55/672136455.db2.gz DSTGHNTXECKAJI-OCCSQVGLSA-N 1 3 350.385 0.606 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000863633112 672144420 /nfs/dbraw/zinc/14/44/20/672144420.db2.gz XWIYWPYDBNLKSL-AWEZNQCLSA-N 1 3 354.495 0.707 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000879248123 673106639 /nfs/dbraw/zinc/10/66/39/673106639.db2.gz IWJJGZZHLIGQEV-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883204583 673368939 /nfs/dbraw/zinc/36/89/39/673368939.db2.gz DOEQHOCKPCJOGI-HNNXBMFYSA-N 1 3 351.495 0.596 20 0 FCADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883204583 673368946 /nfs/dbraw/zinc/36/89/46/673368946.db2.gz DOEQHOCKPCJOGI-HNNXBMFYSA-N 1 3 351.495 0.596 20 0 FCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883770666 673395089 /nfs/dbraw/zinc/39/50/89/673395089.db2.gz XLWWEJJQCPMZNB-GOEBONIOSA-N 1 3 353.511 0.569 20 0 FCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883770666 673395100 /nfs/dbraw/zinc/39/51/00/673395100.db2.gz XLWWEJJQCPMZNB-GOEBONIOSA-N 1 3 353.511 0.569 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884577902 673463576 /nfs/dbraw/zinc/46/35/76/673463576.db2.gz OGHOASIVFYVTME-QFBILLFUSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H](NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CCN(C)CC1 ZINC000884623511 673466930 /nfs/dbraw/zinc/46/69/30/673466930.db2.gz FWMPUSVELCETGH-DRZSPHRISA-N 1 3 362.396 0.349 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884664147 673470694 /nfs/dbraw/zinc/47/06/94/673470694.db2.gz DTMWVWBOIIYRPX-QWHCGFSZSA-N 1 3 360.449 0.584 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884911488 673490574 /nfs/dbraw/zinc/49/05/74/673490574.db2.gz NXEZTHBHXHZRMO-BZUAXINKSA-N 1 3 354.495 0.189 20 0 FCADHO CCN1CCN(CCC[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924661630 673760890 /nfs/dbraw/zinc/76/08/90/673760890.db2.gz OXPGVJGVPQTVJP-MRXNPFEDSA-N 1 3 360.568 0.664 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000925444021 673792447 /nfs/dbraw/zinc/79/24/47/673792447.db2.gz AYMFCLGLOLATQL-HZPDHXFCSA-N 1 3 350.463 0.646 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000925444021 673792448 /nfs/dbraw/zinc/79/24/48/673792448.db2.gz AYMFCLGLOLATQL-HZPDHXFCSA-N 1 3 350.463 0.646 20 0 FCADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926355919 673826246 /nfs/dbraw/zinc/82/62/46/673826246.db2.gz BLEXOYGUJVMDBJ-OAHLLOKOSA-N 1 3 360.568 0.662 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC000968728087 675227033 /nfs/dbraw/zinc/22/70/33/675227033.db2.gz CTUZLPHRVYZFMG-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC000968728087 675227034 /nfs/dbraw/zinc/22/70/34/675227034.db2.gz CTUZLPHRVYZFMG-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)CC[N@@H+]1C ZINC001020346266 675441043 /nfs/dbraw/zinc/44/10/43/675441043.db2.gz QGWQWWGVJHVWFR-WTTBNOFXSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)CC[N@H+]1C ZINC001020346266 675441044 /nfs/dbraw/zinc/44/10/44/675441044.db2.gz QGWQWWGVJHVWFR-WTTBNOFXSA-N 1 3 350.507 0.917 20 0 FCADHO COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001112481983 1168565192 /nfs/dbraw/zinc/56/51/92/1168565192.db2.gz ZSLUUKRCYJSSRK-OOOMTDJDSA-N 1 3 363.502 0.714 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104256785 1168815885 /nfs/dbraw/zinc/81/58/85/1168815885.db2.gz QBYJIHFFCFTLLE-BRWVUGGUSA-N 1 3 370.513 0.973 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104291310 1169652073 /nfs/dbraw/zinc/65/20/73/1169652073.db2.gz LPXUNNBZZZHIPC-BJZITVGISA-N 1 3 364.534 0.927 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751776 1169978726 /nfs/dbraw/zinc/97/87/26/1169978726.db2.gz KXJWLAMGDMILQE-USXIJHARSA-N 1 3 357.458 0.353 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001104362621 1170487784 /nfs/dbraw/zinc/48/77/84/1170487784.db2.gz AFYVGECFKSKFTM-KFWWJZLASA-N 1 3 366.506 0.596 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](CNCc2cnnn2C)C1 ZINC001087166906 1170747578 /nfs/dbraw/zinc/74/75/78/1170747578.db2.gz JHIZQXBQBXZKGI-UWWQBHOKSA-N 1 3 360.506 0.874 20 0 FCADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001691096003 1170801264 /nfs/dbraw/zinc/80/12/64/1170801264.db2.gz RFUJLSLHJKAKLB-APIJFGDWSA-N 1 3 363.462 0.746 20 0 FCADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001691096003 1170801265 /nfs/dbraw/zinc/80/12/65/1170801265.db2.gz RFUJLSLHJKAKLB-APIJFGDWSA-N 1 3 363.462 0.746 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001691271917 1171007554 /nfs/dbraw/zinc/00/75/54/1171007554.db2.gz MATBQFJVOVOWOA-QWHCGFSZSA-N 1 3 368.507 0.691 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001691335287 1171133750 /nfs/dbraw/zinc/13/37/50/1171133750.db2.gz LHEHHMZKEOUDPG-JHJVBQTASA-N 1 3 364.412 0.443 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001691335287 1171133759 /nfs/dbraw/zinc/13/37/59/1171133759.db2.gz LHEHHMZKEOUDPG-JHJVBQTASA-N 1 3 364.412 0.443 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001691348412 1171169302 /nfs/dbraw/zinc/16/93/02/1171169302.db2.gz HGNWGXIXAQZBQC-GDBMZVCRSA-N 1 3 350.463 0.673 20 0 FCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001087219855 1171966806 /nfs/dbraw/zinc/96/68/06/1171966806.db2.gz SADVDHBVOXTGCQ-BMFZPTHFSA-N 1 3 357.462 0.948 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211615908 1179987114 /nfs/dbraw/zinc/98/71/14/1179987114.db2.gz MJKRJRIOFJMDDR-SCTDSRPQSA-N 1 3 358.486 0.657 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389541 1180211255 /nfs/dbraw/zinc/21/12/55/1180211255.db2.gz NMMBHIBYUVVWKZ-HZPDHXFCSA-N 1 3 365.522 0.713 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001211623676 1180213868 /nfs/dbraw/zinc/21/38/68/1180213868.db2.gz OFRDQJVAJPVMBR-INDMIFKZSA-N 1 3 363.502 0.918 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972995597 1181870028 /nfs/dbraw/zinc/87/00/28/1181870028.db2.gz XWVNMVDJVLAWOR-KBAYOESNSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000975222837 1183765263 /nfs/dbraw/zinc/76/52/63/1183765263.db2.gz LUCSEJMREIQKEV-GVDBMIGSSA-N 1 3 360.502 0.483 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211748 1183774563 /nfs/dbraw/zinc/77/45/63/1183774563.db2.gz RVHREGZCQOGHHB-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211748 1183774566 /nfs/dbraw/zinc/77/45/66/1183774566.db2.gz RVHREGZCQOGHHB-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000975226711 1183788303 /nfs/dbraw/zinc/78/83/03/1183788303.db2.gz SDSLZRNJBMQULD-KBAYOESNSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC000975423258 1183856852 /nfs/dbraw/zinc/85/68/52/1183856852.db2.gz MHSPXKQZHIPAPB-NVXWUHKLSA-N 1 3 359.474 0.888 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000893867861 1187519279 /nfs/dbraw/zinc/51/92/79/1187519279.db2.gz RWAGCPBORUPAMN-QZTJIDSGSA-N 1 3 367.538 0.253 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001270668840 1188251400 /nfs/dbraw/zinc/25/14/00/1188251400.db2.gz ZVDMWJWMGNYNOL-YTQUADARSA-N 1 3 360.502 0.659 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995115 1190148673 /nfs/dbraw/zinc/14/86/73/1190148673.db2.gz SXKLVVGJQQJEOS-SJORKVTESA-N 1 3 362.518 0.873 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087995115 1190148676 /nfs/dbraw/zinc/14/86/76/1190148676.db2.gz SXKLVVGJQQJEOS-SJORKVTESA-N 1 3 362.518 0.873 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281920 1190943742 /nfs/dbraw/zinc/94/37/42/1190943742.db2.gz DSQKAYCYKLABHY-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1)C1CCC1 ZINC000986281920 1190943743 /nfs/dbraw/zinc/94/37/43/1190943743.db2.gz DSQKAYCYKLABHY-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)CN(C)C1CCC1 ZINC000988190953 1191157901 /nfs/dbraw/zinc/15/79/01/1191157901.db2.gz RIWCZZSDGCSECX-OLMNPRSZSA-N 1 3 362.518 0.918 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305338 1224153137 /nfs/dbraw/zinc/15/31/37/1224153137.db2.gz CVTJOWVMOYJRLW-NSHDSACASA-N 1 3 364.446 0.814 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O[C@H]2C[NH2+][C@@H]2C)cc1)C(N)=O ZINC001218385421 1224157505 /nfs/dbraw/zinc/15/75/05/1224157505.db2.gz IDQZCYWKNXJWHA-ZCPGHIKRSA-N 1 3 362.474 0.312 20 0 FCADHO O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466258 1193819318 /nfs/dbraw/zinc/81/93/18/1193819318.db2.gz MZIFCTTWAJPJJI-OTWHNJEPSA-N 1 3 365.518 0.696 20 0 FCADHO CC(C)[C@@H]1N(C(=O)C2(N(C)C)CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636736 1193843328 /nfs/dbraw/zinc/84/33/28/1193843328.db2.gz CFLDHIJPSFUMDF-VXNCWWDNSA-N 1 3 367.534 0.819 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000552940747 1193960662 /nfs/dbraw/zinc/96/06/62/1193960662.db2.gz IKLDRKBSEUDOSY-QGZVFWFLSA-N 1 3 366.506 0.300 20 0 FCADHO C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(CCCCCn3cncn3)C[C@@H]21 ZINC001218600936 1224180419 /nfs/dbraw/zinc/18/04/19/1224180419.db2.gz UEPHBOCMBDXXAQ-DLBZAZTESA-N 1 3 364.494 0.312 20 0 FCADHO CCNc1nc(NC[C@H](O)C[NH+]2CCC(C)CC2)nc(NC(C)(C)C)n1 ZINC000553058622 1193968651 /nfs/dbraw/zinc/96/86/51/1193968651.db2.gz HBPLUDSHMMZECZ-AWEZNQCLSA-N 1 3 365.526 0.862 20 0 FCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640639 1224188473 /nfs/dbraw/zinc/18/84/73/1224188473.db2.gz LRKNGOZWWAKGRV-MRXNPFEDSA-N 1 3 357.414 0.817 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001083522970 1194144162 /nfs/dbraw/zinc/14/41/62/1194144162.db2.gz GFGTVILLFWBFHM-QYZOEREBSA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001083522970 1194144165 /nfs/dbraw/zinc/14/41/65/1194144165.db2.gz GFGTVILLFWBFHM-QYZOEREBSA-N 1 3 365.518 0.981 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242826 1194370159 /nfs/dbraw/zinc/37/01/59/1194370159.db2.gz SWAVWFDPZHNLJZ-BPQIPLTHSA-N 1 3 358.486 0.760 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242826 1194370163 /nfs/dbraw/zinc/37/01/63/1194370163.db2.gz SWAVWFDPZHNLJZ-BPQIPLTHSA-N 1 3 358.486 0.760 20 0 FCADHO COc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c(C)cn1 ZINC001218791839 1224223623 /nfs/dbraw/zinc/22/36/23/1224223623.db2.gz PGNLRJXAKNQZIF-ZFWWWQNUSA-N 1 3 363.462 0.784 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076605807 1194593476 /nfs/dbraw/zinc/59/34/76/1194593476.db2.gz ULIGJMAFMIQZEP-HRCADAONSA-N 1 3 362.474 0.200 20 0 FCADHO COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218929159 1224261636 /nfs/dbraw/zinc/26/16/36/1224261636.db2.gz AIGSCYQIRTZYFX-JTQLQIEISA-N 1 3 361.377 0.247 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001218970894 1224275593 /nfs/dbraw/zinc/27/55/93/1224275593.db2.gz NNKIRSQKDVZVHG-OKZBNKHCSA-N 1 3 369.506 0.435 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1=O ZINC000908240049 1195735499 /nfs/dbraw/zinc/73/54/99/1195735499.db2.gz VXPCLRQZHHNLSL-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000910829192 1195850571 /nfs/dbraw/zinc/85/05/71/1195850571.db2.gz OLQWIWPLNGTXBF-NVXWUHKLSA-N 1 3 359.474 0.671 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCCC1 ZINC000910950911 1195867973 /nfs/dbraw/zinc/86/79/73/1195867973.db2.gz WXSHYPIGVDLQQV-IAGOWNOFSA-N 1 3 358.486 0.966 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[NH+]1CCC(C)CC1 ZINC000911092331 1195887794 /nfs/dbraw/zinc/88/77/94/1195887794.db2.gz UJLGVACTRNQFQP-BMGDILEWSA-N 1 3 358.486 0.964 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249561 1197781211 /nfs/dbraw/zinc/78/12/11/1197781211.db2.gz KVUIRQKMTCQTGZ-KYJSFNMBSA-N 1 3 368.522 0.163 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106249574 1197782198 /nfs/dbraw/zinc/78/21/98/1197782198.db2.gz LBVSVQMVZHSQGK-LSBZLQRGSA-N 1 3 364.534 0.879 20 0 FCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)N1CCCC1 ZINC001085295640 1197801485 /nfs/dbraw/zinc/80/14/85/1197801485.db2.gz RBNYFXRETIXPMF-HZPDHXFCSA-N 1 3 365.522 0.903 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085308997 1197810997 /nfs/dbraw/zinc/81/09/97/1197810997.db2.gz SNLDGTJNTIFOGZ-ZACQAIPSSA-N 1 3 364.494 0.441 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)[C@@H](c2ccccc2)C1 ZINC001085340284 1197832044 /nfs/dbraw/zinc/83/20/44/1197832044.db2.gz ITOCUAKXGUMPBT-XMTFNYHQSA-N 1 3 358.486 0.834 20 0 FCADHO C[N@H+]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)[C@@H](c2ccccc2)C1 ZINC001085340284 1197832046 /nfs/dbraw/zinc/83/20/46/1197832046.db2.gz ITOCUAKXGUMPBT-XMTFNYHQSA-N 1 3 358.486 0.834 20 0 FCADHO COCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453556 1197934103 /nfs/dbraw/zinc/93/41/03/1197934103.db2.gz OADXQULTRSLSTL-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+]1CCCCC1 ZINC000766880140 1199101013 /nfs/dbraw/zinc/10/10/13/1199101013.db2.gz JXMNGBMJKHBQGI-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)C1 ZINC001219642371 1224543145 /nfs/dbraw/zinc/54/31/45/1224543145.db2.gz SGSOEKIWHPXRRB-XHSDSOJGSA-N 1 3 361.490 0.671 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668900 1200458524 /nfs/dbraw/zinc/45/85/24/1200458524.db2.gz GMIIXGBASOJQBS-BDXSIMOUSA-N 1 3 369.506 0.074 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219847287 1224651757 /nfs/dbraw/zinc/65/17/57/1224651757.db2.gz BUWNJLDCKSEHRG-ONIAQPFYSA-N 1 3 357.454 0.704 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793902493 1201274307 /nfs/dbraw/zinc/27/43/07/1201274307.db2.gz RFWGNZVEEVEKQN-YYIAUSFCSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793902493 1201274311 /nfs/dbraw/zinc/27/43/11/1201274311.db2.gz RFWGNZVEEVEKQN-YYIAUSFCSA-N 1 3 366.506 0.202 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129982316 1201461771 /nfs/dbraw/zinc/46/17/71/1201461771.db2.gz DGNYAQGTKXHZNG-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130011968 1201471146 /nfs/dbraw/zinc/47/11/46/1201471146.db2.gz HCKPFGAXVKKAQU-XHSDSOJGSA-N 1 3 366.510 0.632 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012015 1201471221 /nfs/dbraw/zinc/47/12/21/1201471221.db2.gz JKTNDPGIJVMGHL-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122963 1201510979 /nfs/dbraw/zinc/51/09/79/1201510979.db2.gz DWQYECSEYYTYEO-BBWFWOEESA-N 1 3 364.494 0.244 20 0 FCADHO CC(C)COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122963 1201510982 /nfs/dbraw/zinc/51/09/82/1201510982.db2.gz DWQYECSEYYTYEO-BBWFWOEESA-N 1 3 364.494 0.244 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122951 1201511008 /nfs/dbraw/zinc/51/10/08/1201511008.db2.gz CXEMWRYCIXVTSV-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122951 1201511012 /nfs/dbraw/zinc/51/10/12/1201511012.db2.gz CXEMWRYCIXVTSV-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122964 1201511099 /nfs/dbraw/zinc/51/10/99/1201511099.db2.gz DWQYECSEYYTYEO-ZACQAIPSSA-N 1 3 364.494 0.244 20 0 FCADHO CC(C)COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122964 1201511108 /nfs/dbraw/zinc/51/11/08/1201511108.db2.gz DWQYECSEYYTYEO-ZACQAIPSSA-N 1 3 364.494 0.244 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123179 1201511139 /nfs/dbraw/zinc/51/11/39/1201511139.db2.gz KELOCBNZHAPROB-OIISXLGYSA-N 1 3 362.478 0.140 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130123179 1201511142 /nfs/dbraw/zinc/51/11/42/1201511142.db2.gz KELOCBNZHAPROB-OIISXLGYSA-N 1 3 362.478 0.140 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130137329 1201515465 /nfs/dbraw/zinc/51/54/65/1201515465.db2.gz UFNIWQJAANBWRX-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2nccn2C)n[nH]1 ZINC001130223480 1201553333 /nfs/dbraw/zinc/55/33/33/1201553333.db2.gz WKNCGVFWVJFIMG-STQMWFEESA-N 1 3 361.450 0.269 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CC(C)(C)C)[n-]1 ZINC001130237949 1201560418 /nfs/dbraw/zinc/56/04/18/1201560418.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 1 3 366.510 0.881 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CC(C)(C)C)[n-]1 ZINC001130237949 1201560421 /nfs/dbraw/zinc/56/04/21/1201560421.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 1 3 366.510 0.881 20 0 FCADHO CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[n-]1)[NH+](C)C ZINC001130238131 1201561847 /nfs/dbraw/zinc/56/18/47/1201561847.db2.gz VDCOIUNPHROZFX-KKUMJFAQSA-N 1 3 366.510 0.879 20 0 FCADHO CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[n-]1 ZINC001130245210 1201565277 /nfs/dbraw/zinc/56/52/77/1201565277.db2.gz VOPLGNGLOFTRQU-KBPBESRZSA-N 1 3 370.473 0.584 20 0 FCADHO CC(C)[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[n-]1 ZINC001130251271 1201570644 /nfs/dbraw/zinc/57/06/44/1201570644.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 1 3 370.473 0.583 20 0 FCADHO CC(C)[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[n-]1 ZINC001130251271 1201570646 /nfs/dbraw/zinc/57/06/46/1201570646.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 1 3 370.473 0.583 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)N(C)C ZINC001130292854 1201578700 /nfs/dbraw/zinc/57/87/00/1201578700.db2.gz FIKWCTVUMOLHLP-NJAFHUGGSA-N 1 3 368.522 0.040 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130307670 1201582353 /nfs/dbraw/zinc/58/23/53/1201582353.db2.gz YAXWOSRJEJFJKY-GMBSWORKSA-N 1 3 368.522 0.183 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)C1=O ZINC001220022170 1224729567 /nfs/dbraw/zinc/72/95/67/1224729567.db2.gz AVKGRPVSBMCFDE-INIZCTEOSA-N 1 3 360.458 0.083 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2n[nH]cc2c1 ZINC001220024774 1224731591 /nfs/dbraw/zinc/73/15/91/1224731591.db2.gz AZBIRTVQAYRJHZ-RDJZCZTQSA-N 1 3 372.473 0.626 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672520 1202752361 /nfs/dbraw/zinc/75/23/61/1202752361.db2.gz RCDASSTXBCBVOI-XYJFISCASA-N 1 3 363.506 0.682 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131008166 1202842195 /nfs/dbraw/zinc/84/21/95/1202842195.db2.gz UTRMAXNXHWDNHV-IAGOWNOFSA-N 1 3 363.506 0.825 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001131115665 1202864508 /nfs/dbraw/zinc/86/45/08/1202864508.db2.gz SRUSWVCJMOXMRV-BRWVUGGUSA-N 1 3 363.506 0.682 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001131120918 1202865904 /nfs/dbraw/zinc/86/59/04/1202865904.db2.gz CTARYMMJMSGXLE-IAGOWNOFSA-N 1 3 363.506 0.827 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC2CC2)CC1 ZINC001131564768 1202914741 /nfs/dbraw/zinc/91/47/41/1202914741.db2.gz VFHLTFGPRAJHIN-APWZRJJASA-N 1 3 366.506 0.202 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001131582900 1202917924 /nfs/dbraw/zinc/91/79/24/1202917924.db2.gz FHGABEXIYYPHCJ-LMMKCTJWSA-N 1 3 371.522 0.321 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131597198 1202919681 /nfs/dbraw/zinc/91/96/81/1202919681.db2.gz QIAWTBVPLIYNNK-APWZRJJASA-N 1 3 368.522 0.402 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131609024 1202920475 /nfs/dbraw/zinc/92/04/75/1202920475.db2.gz WARHOARNOCTRMH-APWZRJJASA-N 1 3 368.522 0.448 20 0 FCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131609039 1202920674 /nfs/dbraw/zinc/92/06/74/1202920674.db2.gz XCIQLLZHSOQHBU-KYJSFNMBSA-N 1 3 368.522 0.447 20 0 FCADHO CN1CCC[C@@H](NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126583 1203015914 /nfs/dbraw/zinc/01/59/14/1203015914.db2.gz YLGZIWAPOQKAIA-FGTMMUONSA-N 1 3 358.486 0.658 20 0 FCADHO CN1CCC[C@@H](NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126583 1203015916 /nfs/dbraw/zinc/01/59/16/1203015916.db2.gz YLGZIWAPOQKAIA-FGTMMUONSA-N 1 3 358.486 0.658 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000817926258 1203126541 /nfs/dbraw/zinc/12/65/41/1203126541.db2.gz CJGIELNLWGZAQC-HDICACEKSA-N 1 3 358.486 0.297 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[C@H]1[NH3+] ZINC000817926553 1203126560 /nfs/dbraw/zinc/12/65/60/1203126560.db2.gz MXXWPBWAHPOBIA-SJLPKXTDSA-N 1 3 360.502 0.815 20 0 FCADHO COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220296584 1224822445 /nfs/dbraw/zinc/82/24/45/1224822445.db2.gz SIUYEKQAOGEPLJ-KXBFYZLASA-N 1 3 370.453 0.567 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000846143276 1204596517 /nfs/dbraw/zinc/59/65/17/1204596517.db2.gz DDDAPIPZGSNEAQ-ZBRFXRBCSA-N 1 3 366.506 0.778 20 0 FCADHO O=C(N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353878 1224840172 /nfs/dbraw/zinc/84/01/72/1224840172.db2.gz LNRHWEOPPIEEPJ-LUKYLMHMSA-N 1 3 361.442 0.285 20 0 FCADHO CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358037 1224842711 /nfs/dbraw/zinc/84/27/11/1224842711.db2.gz OKRRSECYPWCEEP-KURKYZTESA-N 1 3 374.485 0.465 20 0 FCADHO COCCCN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387197 1224852565 /nfs/dbraw/zinc/85/25/65/1224852565.db2.gz FDYJVSYNXFBDGB-HCXYKTFWSA-N 1 3 361.486 0.530 20 0 FCADHO COCCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387197 1224852569 /nfs/dbraw/zinc/85/25/69/1224852569.db2.gz FDYJVSYNXFBDGB-HCXYKTFWSA-N 1 3 361.486 0.530 20 0 FCADHO COCCN1[C@H](C)CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000128573973 1204827046 /nfs/dbraw/zinc/82/70/46/1204827046.db2.gz LXYZQKKZSWPHDM-KURKYZTESA-N 1 3 369.554 0.621 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996705 1204887402 /nfs/dbraw/zinc/88/74/02/1204887402.db2.gz QYEWFJDYQUNQLC-BHYGNILZSA-N 1 3 363.506 0.417 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001087087968 1204977505 /nfs/dbraw/zinc/97/75/05/1204977505.db2.gz DALPVFHSCOOUAJ-FVQBIDKESA-N 1 3 363.462 0.026 20 0 FCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968153 1205968187 /nfs/dbraw/zinc/96/81/87/1205968187.db2.gz NRRKUPKJOQMXFI-IIDMSEBBSA-N 1 3 360.502 0.962 20 0 FCADHO CN1CCN(c2ncc(C[NH2+]CC3(N4CCCC4)CCOCC3)cn2)CC1 ZINC001649155106 1205968229 /nfs/dbraw/zinc/96/82/29/1205968229.db2.gz BOWIQPTTXZWDMS-UHFFFAOYSA-N 1 3 374.533 0.963 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040989 1206002061 /nfs/dbraw/zinc/00/20/61/1206002061.db2.gz ZNQOBCUYHBTKFB-FMKPAKJESA-N 1 3 364.494 0.006 20 0 FCADHO CCn1cc(CNC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)nn1 ZINC001093773778 1206114077 /nfs/dbraw/zinc/11/40/77/1206114077.db2.gz APOGDEDRHBPOPT-KYJSFNMBSA-N 1 3 360.506 0.824 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](CNCc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817053 1206134541 /nfs/dbraw/zinc/13/45/41/1206134541.db2.gz YTJYKMDCPHLQQS-IXDOHACOSA-N 1 3 362.522 0.977 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](CNCc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817053 1206134548 /nfs/dbraw/zinc/13/45/48/1206134548.db2.gz YTJYKMDCPHLQQS-IXDOHACOSA-N 1 3 362.522 0.977 20 0 FCADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736142 1206364179 /nfs/dbraw/zinc/36/41/79/1206364179.db2.gz QJWRURYBGGBVOW-ZQDZILKHSA-N 1 3 367.494 0.141 20 0 FCADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736142 1206364181 /nfs/dbraw/zinc/36/41/81/1206364181.db2.gz QJWRURYBGGBVOW-ZQDZILKHSA-N 1 3 367.494 0.141 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1COCc2ccccc21 ZINC001220657913 1224995727 /nfs/dbraw/zinc/99/57/27/1224995727.db2.gz LYPVQBCGCGSLNU-BZSNNMDCSA-N 1 3 374.485 0.821 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001189062279 1207498785 /nfs/dbraw/zinc/49/87/85/1207498785.db2.gz PYNALDWYHWQZIZ-XYJFISCASA-N 1 3 365.474 0.642 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001189810584 1207603469 /nfs/dbraw/zinc/60/34/69/1207603469.db2.gz BSEWAGAETMZFTB-IPMKNSEASA-N 1 3 361.486 0.831 20 0 FCADHO CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1)C1CC1 ZINC001194038569 1207907755 /nfs/dbraw/zinc/90/77/55/1207907755.db2.gz FDTNNRFSCGCPRX-KZNAEPCWSA-N 1 3 365.518 0.839 20 0 FCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831924 1207977849 /nfs/dbraw/zinc/97/78/49/1207977849.db2.gz IVWKFBGNOAHGDT-SFEKYPNESA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831924 1207977853 /nfs/dbraw/zinc/97/78/53/1207977853.db2.gz IVWKFBGNOAHGDT-SFEKYPNESA-N 1 3 363.502 0.757 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC/C=C/c2ccccc2)C[C@H]1O ZINC001197826441 1208201908 /nfs/dbraw/zinc/20/19/08/1208201908.db2.gz XGEMIXSGMWVTGO-CTDFLUCESA-N 1 3 361.486 0.829 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652788 1208277158 /nfs/dbraw/zinc/27/71/58/1208277158.db2.gz BRQZGVNVXUZSPC-IPMKNSEASA-N 1 3 361.486 0.706 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@H]2O)C1 ZINC001198652788 1208277162 /nfs/dbraw/zinc/27/71/62/1208277162.db2.gz BRQZGVNVXUZSPC-IPMKNSEASA-N 1 3 361.486 0.706 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199071270 1208316205 /nfs/dbraw/zinc/31/62/05/1208316205.db2.gz QZFZFXWPFBYRSX-CEXWTWQISA-N 1 3 367.534 0.965 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC/C=C/c2ccccc2)C[C@@H]1O ZINC001220768662 1225063380 /nfs/dbraw/zinc/06/33/80/1225063380.db2.gz XGEMIXSGMWVTGO-AAYGWRJKSA-N 1 3 361.486 0.829 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC1 ZINC001490046201 1209226188 /nfs/dbraw/zinc/22/61/88/1209226188.db2.gz BURQVZAODVKFCC-CABCVRRESA-N 1 3 359.474 0.601 20 0 FCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000851688899 1209514086 /nfs/dbraw/zinc/51/40/86/1209514086.db2.gz GKTJQHPWUNNUOZ-SFHVURJKSA-N 1 3 373.501 0.607 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926455 1225144439 /nfs/dbraw/zinc/14/44/39/1225144439.db2.gz MXYNFPZUJCPDCF-SFHVURJKSA-N 1 3 356.474 0.713 20 0 FCADHO COc1ccccc1Cn1cncc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220968853 1225165325 /nfs/dbraw/zinc/16/53/25/1225165325.db2.gz GFRPJHKNMITWQG-INIZCTEOSA-N 1 3 355.442 0.365 20 0 FCADHO COc1ccccc1Cn1cncc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220968962 1225165481 /nfs/dbraw/zinc/16/54/81/1225165481.db2.gz JHZWOTYFRAXZMN-GOSISDBHSA-N 1 3 357.458 0.883 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861573673 1209871663 /nfs/dbraw/zinc/87/16/63/1209871663.db2.gz JLXKVNKQAXUCCE-OKZBNKHCSA-N 1 3 366.506 0.650 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741322 1209878679 /nfs/dbraw/zinc/87/86/79/1209878679.db2.gz ZXZFLSYMONUZRT-PBHICJAKSA-N 1 3 364.490 1.000 20 0 FCADHO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001221004946 1225182281 /nfs/dbraw/zinc/18/22/81/1225182281.db2.gz SVDXSJPAPQTHAN-ULQDDVLXSA-N 1 3 359.474 0.011 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000868305239 1210050748 /nfs/dbraw/zinc/05/07/48/1210050748.db2.gz SCIQNEXBGUDKMS-QAQDUYKDSA-N 1 3 373.501 0.616 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868360954 1210055330 /nfs/dbraw/zinc/05/53/30/1210055330.db2.gz ZNKAGYZAKCKIDO-HDICACEKSA-N 1 3 358.486 0.582 20 0 FCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000876781533 1210429703 /nfs/dbraw/zinc/42/97/03/1210429703.db2.gz HWEXULWWCDBGRZ-WBVHZDCISA-N 1 3 362.522 0.729 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000888887439 1210593251 /nfs/dbraw/zinc/59/32/51/1210593251.db2.gz NXIFIGLLYXXQKV-JKSUJKDBSA-N 1 3 369.510 0.249 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000888887439 1210593258 /nfs/dbraw/zinc/59/32/58/1210593258.db2.gz NXIFIGLLYXXQKV-JKSUJKDBSA-N 1 3 369.510 0.249 20 0 FCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883332196 1210661938 /nfs/dbraw/zinc/66/19/38/1210661938.db2.gz PPPXUNYPICOUKK-MSOLQXFVSA-N 1 3 366.506 0.792 20 0 FCADHO C[C@H](CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000883332316 1210662379 /nfs/dbraw/zinc/66/23/79/1210662379.db2.gz RZSXZOJHMMNXRX-OAHLLOKOSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@H](CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[N@@H+](C)C1CC1 ZINC000883332316 1210662382 /nfs/dbraw/zinc/66/23/82/1210662382.db2.gz RZSXZOJHMMNXRX-OAHLLOKOSA-N 1 3 365.522 0.985 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883331900 1210662405 /nfs/dbraw/zinc/66/24/05/1210662405.db2.gz JFNAMQNIVGBXBS-OKZBNKHCSA-N 1 3 366.506 0.792 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)C[C@@H]3CCCO3)CC2)CC1 ZINC000884124311 1210716319 /nfs/dbraw/zinc/71/63/19/1210716319.db2.gz UGAHQUNPFJRTBF-WMZOPIPTSA-N 1 3 368.522 0.774 20 0 FCADHO COCC[C@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000884236374 1210725733 /nfs/dbraw/zinc/72/57/33/1210725733.db2.gz SQRDEKPUTWQELG-INIZCTEOSA-N 1 3 364.490 0.639 20 0 FCADHO CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C1(C[NH3+])CCCCC1 ZINC000884507360 1210740943 /nfs/dbraw/zinc/74/09/43/1210740943.db2.gz AXZFIZKSGWOKII-UHFFFAOYSA-N 1 3 367.538 0.249 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000884508180 1210741104 /nfs/dbraw/zinc/74/11/04/1210741104.db2.gz XAOLLKNEVLLUNR-OAHLLOKOSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884510053 1210742301 /nfs/dbraw/zinc/74/23/01/1210742301.db2.gz XFZJYXJBJIXGAC-OLMNPRSZSA-N 1 3 371.485 0.686 20 0 FCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000884578310 1210756483 /nfs/dbraw/zinc/75/64/83/1210756483.db2.gz XKRCVICARJBUOX-GHTZIAJQSA-N 1 3 370.497 0.619 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000884623505 1210764589 /nfs/dbraw/zinc/76/45/89/1210764589.db2.gz FVNWWKPCRSIRII-ZBFHGGJFSA-N 1 3 364.490 0.028 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884670431 1210776154 /nfs/dbraw/zinc/77/61/54/1210776154.db2.gz ZPIOWPOJADEKDH-RCCFBDPRSA-N 1 3 356.470 0.560 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884670431 1210776162 /nfs/dbraw/zinc/77/61/62/1210776162.db2.gz ZPIOWPOJADEKDH-RCCFBDPRSA-N 1 3 356.470 0.560 20 0 FCADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000884692991 1210782220 /nfs/dbraw/zinc/78/22/20/1210782220.db2.gz HJIAPAWXOXHYJC-SFHVURJKSA-N 1 3 358.486 0.883 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706220 1210784334 /nfs/dbraw/zinc/78/43/34/1210784334.db2.gz VVVZVTCTLAXXIG-CABCVRRESA-N 1 3 366.506 0.693 20 0 FCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000884706549 1210784881 /nfs/dbraw/zinc/78/48/81/1210784881.db2.gz GYRUGSVPEUMQPR-HUUCEWRRSA-N 1 3 366.506 0.693 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153178 1225242369 /nfs/dbraw/zinc/24/23/69/1225242369.db2.gz DEGLNYJWUKKUHA-HNNXBMFYSA-N 1 3 362.478 0.677 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000885162335 1210813939 /nfs/dbraw/zinc/81/39/39/1210813939.db2.gz KZYXRKOWQFMLGA-QZTJIDSGSA-N 1 3 356.470 0.514 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885167678 1210814366 /nfs/dbraw/zinc/81/43/66/1210814366.db2.gz ORSYMDMASDIFID-ROUUACIJSA-N 1 3 358.486 0.758 20 0 FCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885167678 1210814369 /nfs/dbraw/zinc/81/43/69/1210814369.db2.gz ORSYMDMASDIFID-ROUUACIJSA-N 1 3 358.486 0.758 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885163035 1210814382 /nfs/dbraw/zinc/81/43/82/1210814382.db2.gz WWYUAVRLZGHWGZ-QAPCUYQASA-N 1 3 358.486 0.617 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885163035 1210814383 /nfs/dbraw/zinc/81/43/83/1210814383.db2.gz WWYUAVRLZGHWGZ-QAPCUYQASA-N 1 3 358.486 0.617 20 0 FCADHO CN1CCC(O)(C(=O)N2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001274204369 1210912535 /nfs/dbraw/zinc/91/25/35/1210912535.db2.gz UMQVCYWTAVMGTQ-CALCHBBNSA-N 1 3 361.490 0.537 20 0 FCADHO CN1CCC(O)(C(=O)N2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001274204369 1210912536 /nfs/dbraw/zinc/91/25/36/1210912536.db2.gz UMQVCYWTAVMGTQ-CALCHBBNSA-N 1 3 361.490 0.537 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000890057772 1210962963 /nfs/dbraw/zinc/96/29/63/1210962963.db2.gz NIVYQMQUIVDDEX-SFHVURJKSA-N 1 3 373.501 0.930 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000890057772 1210962964 /nfs/dbraw/zinc/96/29/64/1210962964.db2.gz NIVYQMQUIVDDEX-SFHVURJKSA-N 1 3 373.501 0.930 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC2=O)COCC[N@H+](CC2CC2)C3)CC1 ZINC001275124512 1211176550 /nfs/dbraw/zinc/17/65/50/1211176550.db2.gz VXHWSMMVFJLQBZ-FQEVSTJZSA-N 1 3 364.534 0.585 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC2=O)COCC[N@@H+](CC2CC2)C3)CC1 ZINC001275124512 1211176551 /nfs/dbraw/zinc/17/65/51/1211176551.db2.gz VXHWSMMVFJLQBZ-FQEVSTJZSA-N 1 3 364.534 0.585 20 0 FCADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001275148806 1211181025 /nfs/dbraw/zinc/18/10/25/1211181025.db2.gz OIZTVAAOFHEVQW-YWZLYKJASA-N 1 3 356.470 0.817 20 0 FCADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001275148806 1211181027 /nfs/dbraw/zinc/18/10/27/1211181027.db2.gz OIZTVAAOFHEVQW-YWZLYKJASA-N 1 3 356.470 0.817 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3cccc4nonc43)C2)OCC1=O ZINC001275180238 1211192703 /nfs/dbraw/zinc/19/27/03/1211192703.db2.gz XZBPMCOWWKIDFN-GOSISDBHSA-N 1 3 359.430 0.588 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC2=O)CCCCN3CC[NH+](C)C)CC1 ZINC001275841768 1211296172 /nfs/dbraw/zinc/29/61/72/1211296172.db2.gz DGVHOCRMGXVOMP-HXUWFJFHSA-N 1 3 365.566 0.643 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001095438021 1211341341 /nfs/dbraw/zinc/34/13/41/1211341341.db2.gz UVGLBSFBOJAJNM-XABWRGDLSA-N 1 3 358.486 0.947 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001095438021 1211341343 /nfs/dbraw/zinc/34/13/43/1211341343.db2.gz UVGLBSFBOJAJNM-XABWRGDLSA-N 1 3 358.486 0.947 20 0 FCADHO O=C1NC[C@@H](O)CC12CCN(C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831162 1211824385 /nfs/dbraw/zinc/82/43/85/1211824385.db2.gz HSPVHMPKFJTKIF-GHTZIAJQSA-N 1 3 373.497 0.586 20 0 FCADHO O=C1NC[C@@H](O)CC12CCN(C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831162 1211824386 /nfs/dbraw/zinc/82/43/86/1211824386.db2.gz HSPVHMPKFJTKIF-GHTZIAJQSA-N 1 3 373.497 0.586 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)cc1=O ZINC001111277465 1212204170 /nfs/dbraw/zinc/20/41/70/1212204170.db2.gz SWQRUBLAUTXMCC-ZACQAIPSSA-N 1 3 362.474 0.185 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCc2ncnn21 ZINC001111279880 1212224728 /nfs/dbraw/zinc/22/47/28/1212224728.db2.gz KGUBBVZSMTUVGN-QXSJWSMHSA-N 1 3 362.478 0.065 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001007946872 1212604882 /nfs/dbraw/zinc/60/48/82/1212604882.db2.gz RJSPBXVOGPZVGJ-DOXZYTNZSA-N 1 3 359.474 0.710 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001007946872 1212604887 /nfs/dbraw/zinc/60/48/87/1212604887.db2.gz RJSPBXVOGPZVGJ-DOXZYTNZSA-N 1 3 359.474 0.710 20 0 FCADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000958860428 1213442984 /nfs/dbraw/zinc/44/29/84/1213442984.db2.gz QENNKHJGUFQROA-BIVLZKPYSA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000958860428 1213442986 /nfs/dbraw/zinc/44/29/86/1213442986.db2.gz QENNKHJGUFQROA-BIVLZKPYSA-N 1 3 368.522 0.087 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000959655162 1213485944 /nfs/dbraw/zinc/48/59/44/1213485944.db2.gz RSHHEBBAMZAGPP-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827969 1213849487 /nfs/dbraw/zinc/84/94/87/1213849487.db2.gz CPCOYPPEQAZORA-XLIONFOSSA-N 1 3 358.486 0.630 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000419369914 1214164799 /nfs/dbraw/zinc/16/47/99/1214164799.db2.gz GHCCQXWSKPGINB-FQEVSTJZSA-N 1 3 370.497 0.556 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000964210346 1214913422 /nfs/dbraw/zinc/91/34/22/1214913422.db2.gz CGRXRQKEJPZTDM-OWCLPIDISA-N 1 3 363.462 0.026 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000964210346 1214913426 /nfs/dbraw/zinc/91/34/26/1214913426.db2.gz CGRXRQKEJPZTDM-OWCLPIDISA-N 1 3 363.462 0.026 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C[C@@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC001000700431 1216107923 /nfs/dbraw/zinc/10/79/23/1216107923.db2.gz QFMIQFPGQMKFBJ-KBAYOESNSA-N 1 3 361.490 0.333 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(C[C@@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC001000700431 1216107925 /nfs/dbraw/zinc/10/79/25/1216107925.db2.gz QFMIQFPGQMKFBJ-KBAYOESNSA-N 1 3 361.490 0.333 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001050050268 1216272774 /nfs/dbraw/zinc/27/27/74/1216272774.db2.gz ACFYJLAIKWAUIP-YYIAUSFCSA-N 1 3 363.506 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001050050268 1216272781 /nfs/dbraw/zinc/27/27/81/1216272781.db2.gz ACFYJLAIKWAUIP-YYIAUSFCSA-N 1 3 363.506 0.275 20 0 FCADHO C[C@@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329256 1216308322 /nfs/dbraw/zinc/30/83/22/1216308322.db2.gz PVJVRDVURIKXPY-OXGONZEZSA-N 1 3 363.510 0.876 20 0 FCADHO C[C@@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329256 1216308331 /nfs/dbraw/zinc/30/83/31/1216308331.db2.gz PVJVRDVURIKXPY-OXGONZEZSA-N 1 3 363.510 0.876 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC001051625097 1216469556 /nfs/dbraw/zinc/46/95/56/1216469556.db2.gz XKALZJFBDNXLJL-OKZBNKHCSA-N 1 3 361.490 0.832 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCc3cnc(C)nc3)C2)CC[N@H+]1C ZINC001051625097 1216469563 /nfs/dbraw/zinc/46/95/63/1216469563.db2.gz XKALZJFBDNXLJL-OKZBNKHCSA-N 1 3 361.490 0.832 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCCCC1 ZINC000827321545 1216586685 /nfs/dbraw/zinc/58/66/85/1216586685.db2.gz QEQKIBYBJLMFEN-WBVHZDCISA-N 1 3 366.506 0.347 20 0 FCADHO COCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151848 1225684079 /nfs/dbraw/zinc/68/40/79/1225684079.db2.gz XSVVXKPSOVUIFS-QGRXYFRJSA-N 1 3 363.502 0.809 20 0 FCADHO COCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223151848 1225684084 /nfs/dbraw/zinc/68/40/84/1225684084.db2.gz XSVVXKPSOVUIFS-QGRXYFRJSA-N 1 3 363.502 0.809 20 0 FCADHO C[C@H](CNC(=O)C1CCC(N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000900693456 1218025326 /nfs/dbraw/zinc/02/53/26/1218025326.db2.gz SQRZCAGQKBRPEB-LMDPOFIKSA-N 1 3 366.550 0.877 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3cccc4cncn43)C2)OCC1=O ZINC001277041072 1225810175 /nfs/dbraw/zinc/81/01/75/1225810175.db2.gz DGPCUWCEPJIFOQ-LJQANCHMSA-N 1 3 357.458 0.699 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001048977040 1218356936 /nfs/dbraw/zinc/35/69/36/1218356936.db2.gz LQLVKKHWHTYTHU-YVSFHVDLSA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001048977040 1218356941 /nfs/dbraw/zinc/35/69/41/1218356941.db2.gz LQLVKKHWHTYTHU-YVSFHVDLSA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1O)N(C)C ZINC001049027322 1218366709 /nfs/dbraw/zinc/36/67/09/1218366709.db2.gz JTESJZHYLZGWEN-BIVLZKPYSA-N 1 3 368.522 0.087 20 0 FCADHO CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O)N(C)C ZINC001049027322 1218366715 /nfs/dbraw/zinc/36/67/15/1218366715.db2.gz JTESJZHYLZGWEN-BIVLZKPYSA-N 1 3 368.522 0.087 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903508863 1218430831 /nfs/dbraw/zinc/43/08/31/1218430831.db2.gz XRIRRGMMFCCEGR-YTQUADARSA-N 1 3 363.550 0.440 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000803564426 1218437830 /nfs/dbraw/zinc/43/78/30/1218437830.db2.gz MAROCLHOAKDLJL-ZACQAIPSSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000803564426 1218437844 /nfs/dbraw/zinc/43/78/44/1218437844.db2.gz MAROCLHOAKDLJL-ZACQAIPSSA-N 1 3 366.506 0.202 20 0 FCADHO C(CN1CCC([NH2+][C@@H]2CNCC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000903972079 1218576436 /nfs/dbraw/zinc/57/64/36/1218576436.db2.gz GOZPTJXVPAYOOK-IBGZPJMESA-N 1 3 366.550 0.531 20 0 FCADHO NC(=O)COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903979969 1218578920 /nfs/dbraw/zinc/57/89/20/1218578920.db2.gz ALJOBNMZERUEGP-HDICACEKSA-N 1 3 358.486 0.951 20 0 FCADHO NC(=O)COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903979969 1218578925 /nfs/dbraw/zinc/57/89/25/1218578925.db2.gz ALJOBNMZERUEGP-HDICACEKSA-N 1 3 358.486 0.951 20 0 FCADHO O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2)NCC1CC1 ZINC001226297676 1225839323 /nfs/dbraw/zinc/83/93/23/1225839323.db2.gz XPSPCRHACKPETG-RCCFBDPRSA-N 1 3 362.518 0.871 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000826882999 1218910136 /nfs/dbraw/zinc/91/01/36/1218910136.db2.gz QSCQGLHKBRKOLL-SJORKVTESA-N 1 3 366.506 0.347 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804051100 1219103523 /nfs/dbraw/zinc/10/35/23/1219103523.db2.gz NEDUCXRAWAHLAT-LTIDMASMSA-N 1 3 364.490 0.051 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804051100 1219103526 /nfs/dbraw/zinc/10/35/26/1219103526.db2.gz NEDUCXRAWAHLAT-LTIDMASMSA-N 1 3 364.490 0.051 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804055944 1219109360 /nfs/dbraw/zinc/10/93/60/1219109360.db2.gz PTHGOYWYVLQNDW-SJORKVTESA-N 1 3 366.506 0.299 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C ZINC000804057584 1219110707 /nfs/dbraw/zinc/11/07/07/1219110707.db2.gz AZRMTDACWDJKNX-LTIDMASMSA-N 1 3 366.506 0.297 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C ZINC000804057584 1219110709 /nfs/dbraw/zinc/11/07/09/1219110709.db2.gz AZRMTDACWDJKNX-LTIDMASMSA-N 1 3 366.506 0.297 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804057590 1219110791 /nfs/dbraw/zinc/11/07/91/1219110791.db2.gz AZRMTDACWDJKNX-MWDXBVQZSA-N 1 3 366.506 0.297 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1C ZINC000804057590 1219110802 /nfs/dbraw/zinc/11/08/02/1219110802.db2.gz AZRMTDACWDJKNX-MWDXBVQZSA-N 1 3 366.506 0.297 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000804058954 1219112004 /nfs/dbraw/zinc/11/20/04/1219112004.db2.gz HAVPZHMLZFKBSI-JKSUJKDBSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000804059894 1219113888 /nfs/dbraw/zinc/11/38/88/1219113888.db2.gz ONKOTVHTCMTIMF-NCOADZHNSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000804059894 1219113889 /nfs/dbraw/zinc/11/38/89/1219113889.db2.gz ONKOTVHTCMTIMF-NCOADZHNSA-N 1 3 366.506 0.202 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000804059713 1219114399 /nfs/dbraw/zinc/11/43/99/1219114399.db2.gz JYZBCFNQMOUFFB-IXDOHACOSA-N 1 3 364.490 0.053 20 0 FCADHO CC1CC(CN2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](n3ccnn3)C2)C1 ZINC001070078079 1219147347 /nfs/dbraw/zinc/14/73/47/1219147347.db2.gz USEGWTBWTQMOAK-BACDZXNISA-N 1 3 358.490 0.762 20 0 FCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070132897 1219208543 /nfs/dbraw/zinc/20/85/43/1219208543.db2.gz XBYIHOSZCNZPKC-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070132897 1219208549 /nfs/dbraw/zinc/20/85/49/1219208549.db2.gz XBYIHOSZCNZPKC-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001070718968 1219541645 /nfs/dbraw/zinc/54/16/45/1219541645.db2.gz MZGFVSXQQSDIDM-USXIJHARSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001070718968 1219541648 /nfs/dbraw/zinc/54/16/48/1219541648.db2.gz MZGFVSXQQSDIDM-USXIJHARSA-N 1 3 371.489 0.190 20 0 FCADHO CC[C@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074603545 1219702086 /nfs/dbraw/zinc/70/20/86/1219702086.db2.gz NUKUSPAVVZWKRJ-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074603545 1219702087 /nfs/dbraw/zinc/70/20/87/1219702087.db2.gz NUKUSPAVVZWKRJ-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO O=C(N[C@]12CCC[C@H]1CN(CCn1cncn1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001098842278 1219839011 /nfs/dbraw/zinc/83/90/11/1219839011.db2.gz ZMVAFBXGASNYIS-SCTDSRPQSA-N 1 3 358.490 0.591 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160855 1219936716 /nfs/dbraw/zinc/93/67/16/1219936716.db2.gz URMSBZVLJREEKQ-LNLFQRSKSA-N 1 3 360.506 0.817 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160855 1219936720 /nfs/dbraw/zinc/93/67/20/1219936720.db2.gz URMSBZVLJREEKQ-LNLFQRSKSA-N 1 3 360.506 0.817 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228623940 1225937416 /nfs/dbraw/zinc/93/74/16/1225937416.db2.gz NRUJWPARFXGVOW-ZIAGYGMSSA-N 1 3 369.510 0.437 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101342818 1220295645 /nfs/dbraw/zinc/29/56/45/1220295645.db2.gz NZOLQQPPCZWHHX-BEFAXECRSA-N 1 3 364.490 0.258 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486832 1220650057 /nfs/dbraw/zinc/65/00/57/1220650057.db2.gz WXKFVPCXVDQALO-OWCLPIDISA-N 1 3 368.522 0.258 20 0 FCADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486736 1220650527 /nfs/dbraw/zinc/65/05/27/1220650527.db2.gz SKTLJEPPNXLPKI-INMHGKMJSA-N 1 3 366.506 0.012 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001229229734 1225991241 /nfs/dbraw/zinc/99/12/41/1225991241.db2.gz CDMWZIPEDUSMSC-HUUCEWRRSA-N 1 3 367.494 0.333 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001103085351 1220831188 /nfs/dbraw/zinc/83/11/88/1220831188.db2.gz RILNDQBUVFUYKC-BFYDXBDKSA-N 1 3 366.506 0.189 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001103085351 1220831190 /nfs/dbraw/zinc/83/11/90/1220831190.db2.gz RILNDQBUVFUYKC-BFYDXBDKSA-N 1 3 366.506 0.189 20 0 FCADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001103662731 1220932397 /nfs/dbraw/zinc/93/23/97/1220932397.db2.gz NRUDFXXOGURZRP-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001103662731 1220932403 /nfs/dbraw/zinc/93/24/03/1220932403.db2.gz NRUDFXXOGURZRP-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757211 1220965670 /nfs/dbraw/zinc/96/56/70/1220965670.db2.gz QSGACVMRYBSMJF-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103757211 1220965676 /nfs/dbraw/zinc/96/56/76/1220965676.db2.gz QSGACVMRYBSMJF-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811865 1221123386 /nfs/dbraw/zinc/12/33/86/1221123386.db2.gz UEGSZNMMEPANKK-UDHYTOICSA-N 1 3 363.502 0.857 20 0 FCADHO CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811865 1221123389 /nfs/dbraw/zinc/12/33/89/1221123389.db2.gz UEGSZNMMEPANKK-UDHYTOICSA-N 1 3 363.502 0.857 20 0 FCADHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC(N)=O ZINC001116908898 1221402353 /nfs/dbraw/zinc/40/23/53/1221402353.db2.gz UVWRPOABGBOTOF-UHFFFAOYSA-N 1 3 364.490 0.675 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230256916 1226069158 /nfs/dbraw/zinc/06/91/58/1226069158.db2.gz GKHMGGIOJCTTBN-HUUCEWRRSA-N 1 3 367.494 0.335 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001230279406 1226070743 /nfs/dbraw/zinc/07/07/43/1226070743.db2.gz ASVGBTMEJFTBOA-IAGOWNOFSA-N 1 3 368.522 0.639 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118571488 1221801905 /nfs/dbraw/zinc/80/19/05/1221801905.db2.gz DMBBYFGARBLQGZ-HZPDHXFCSA-N 1 3 362.478 0.576 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001230284501 1226071685 /nfs/dbraw/zinc/07/16/85/1226071685.db2.gz IHOVMBNAAMFZNU-BRWVUGGUSA-N 1 3 368.522 0.591 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC001118711933 1221822650 /nfs/dbraw/zinc/82/26/50/1221822650.db2.gz WNZFCJWLQARJGV-PBHICJAKSA-N 1 3 364.490 0.123 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1=CC[N@@H+](C)CC1 ZINC001118711933 1221822651 /nfs/dbraw/zinc/82/26/51/1221822651.db2.gz WNZFCJWLQARJGV-PBHICJAKSA-N 1 3 364.490 0.123 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000841166393 1222811491 /nfs/dbraw/zinc/81/14/91/1222811491.db2.gz QIISIWGMHHRCDW-UHFFFAOYSA-N 1 3 359.474 0.635 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926227 1222832021 /nfs/dbraw/zinc/83/20/21/1222832021.db2.gz CBOWTXHIGAPPJS-SFHVURJKSA-N 1 3 373.501 0.636 20 0 FCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363943 1222873481 /nfs/dbraw/zinc/87/34/81/1222873481.db2.gz WEBULVMHWLRKBG-UHFFFAOYSA-N 1 3 360.458 0.242 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703916 1226164461 /nfs/dbraw/zinc/16/44/61/1226164461.db2.gz ISTWFYDJLQGVJX-PXNSSMCTSA-N 1 3 361.486 0.912 20 0 FCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3)C2)C1=O ZINC001277703916 1226164466 /nfs/dbraw/zinc/16/44/66/1226164466.db2.gz ISTWFYDJLQGVJX-PXNSSMCTSA-N 1 3 361.486 0.912 20 0 FCADHO CC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001277712743 1226169340 /nfs/dbraw/zinc/16/93/40/1226169340.db2.gz KXSHOTGLFVFTOE-QZTJIDSGSA-N 1 3 366.550 0.613 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001157354615 1223075183 /nfs/dbraw/zinc/07/51/83/1223075183.db2.gz GXQUYBJGYDGKGR-SJORKVTESA-N 1 3 362.474 0.227 20 0 FCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001157720406 1223080844 /nfs/dbraw/zinc/08/08/44/1223080844.db2.gz IMXJXNVRXVDILZ-CVEARBPZSA-N 1 3 363.458 0.648 20 0 FCADHO Cc1ccc(C[C@H](N)C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)c(C)c1 ZINC001158111060 1223088915 /nfs/dbraw/zinc/08/89/15/1223088915.db2.gz JVZPAJYQTGGSJQ-OXJNMPFZSA-N 1 3 356.470 0.111 20 0 FCADHO O=C(C[C@@H]1Cc2ccccc2CN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120218 1223089464 /nfs/dbraw/zinc/08/94/64/1223089464.db2.gz KKQYTDBGNWYVAF-OXJNMPFZSA-N 1 3 354.454 0.029 20 0 FCADHO CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001158698967 1223105720 /nfs/dbraw/zinc/10/57/20/1223105720.db2.gz WDUKGRQUVZJAFB-OAHLLOKOSA-N 1 3 360.506 0.219 20 0 FCADHO Cn1ncc2c1CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]2COc1cccnc1 ZINC001158842948 1223110936 /nfs/dbraw/zinc/11/09/36/1223110936.db2.gz PVSABTOGZQXOAX-CJNGLKHVSA-N 1 3 358.446 0.386 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159210090 1223120781 /nfs/dbraw/zinc/12/07/81/1223120781.db2.gz CEEBYWOSACCDNL-WNRNVDISSA-N 1 3 362.474 0.813 20 0 FCADHO N[C@@H](CC(F)F)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235310 1223121785 /nfs/dbraw/zinc/12/17/85/1223121785.db2.gz WPSINXIONWOVSG-ZDUSSCGKSA-N 1 3 364.400 0.940 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001159416712 1223126608 /nfs/dbraw/zinc/12/66/08/1223126608.db2.gz FYGPCVHAQZMJFW-MDZRGWNJSA-N 1 3 356.470 0.898 20 0 FCADHO N[C@@H](C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585326 1223130248 /nfs/dbraw/zinc/13/02/48/1223130248.db2.gz PXJLTZKBSVLRNK-MAUKXSAKSA-N 1 3 361.490 0.595 20 0 FCADHO C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001159695941 1223134144 /nfs/dbraw/zinc/13/41/44/1223134144.db2.gz HGFZZDMCEJDDOC-CZUORRHYSA-N 1 3 359.474 0.522 20 0 FCADHO N[C@H](C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159699318 1223134502 /nfs/dbraw/zinc/13/45/02/1223134502.db2.gz OSGVMMCWSFLEFS-WFEDQXDTSA-N 1 3 374.485 0.793 20 0 FCADHO N[C@@H](CC[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001159888683 1223138798 /nfs/dbraw/zinc/13/87/98/1223138798.db2.gz VBNIWGMVKCMUEF-DOTOQJQBSA-N 1 3 367.444 0.817 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905175 1223139516 /nfs/dbraw/zinc/13/95/16/1223139516.db2.gz KVCFGLJUWJGFPF-MDZRGWNJSA-N 1 3 358.442 0.029 20 0 FCADHO Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]21 ZINC001159988436 1223141944 /nfs/dbraw/zinc/14/19/44/1223141944.db2.gz UPYTYKZCRUHPKY-BBWFWOEESA-N 1 3 365.478 0.159 20 0 FCADHO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)C2 ZINC001160381529 1223156570 /nfs/dbraw/zinc/15/65/70/1223156570.db2.gz BWYUAPQXKCPRBB-LBTNJELSSA-N 1 3 361.494 0.072 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc(=O)oc2c1 ZINC001160705199 1223169175 /nfs/dbraw/zinc/16/91/75/1223169175.db2.gz UTJPGXYRTMOEPM-VBQJREDUSA-N 1 3 371.437 0.691 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc(=O)oc2c1 ZINC001160705199 1223169179 /nfs/dbraw/zinc/16/91/79/1223169179.db2.gz UTJPGXYRTMOEPM-VBQJREDUSA-N 1 3 371.437 0.691 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[C@@]4(C3)CNCCO4)C[C@H]1C[NH2+]CC2 ZINC001160810573 1223174889 /nfs/dbraw/zinc/17/48/89/1223174889.db2.gz CMSYNIZNROHDQU-OHDICMOHSA-N 1 3 365.474 0.146 20 0 FCADHO CC1(C)N(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC[C@]12c1ccccc1OC2=O ZINC001161160875 1223187789 /nfs/dbraw/zinc/18/77/89/1223187789.db2.gz IKFOEJIIIMXOGJ-VBKZILBWSA-N 1 3 355.438 0.663 20 0 FCADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161171967 1223188467 /nfs/dbraw/zinc/18/84/67/1223188467.db2.gz RIGZZFMGIXTAAQ-BJJXKVORSA-N 1 3 363.462 0.293 20 0 FCADHO N[C@H](C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC001161252473 1223192357 /nfs/dbraw/zinc/19/23/57/1223192357.db2.gz KZKINBAPSHKEFF-KRWDZBQOSA-N 1 3 362.449 0.873 20 0 FCADHO COc1cccc(OC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)n1 ZINC001161313876 1223196010 /nfs/dbraw/zinc/19/60/10/1223196010.db2.gz ZSNCXJLBGNWOLP-AUUYWEPGSA-N 1 3 360.458 0.659 20 0 FCADHO N[C@@H](C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1)C1CC[NH2+]CC1 ZINC001161458252 1223199518 /nfs/dbraw/zinc/19/95/18/1223199518.db2.gz ZUXDHVGNDSPXIA-LJQANCHMSA-N 1 3 356.470 0.791 20 0 FCADHO CNC(=O)CNCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162817024 1223219912 /nfs/dbraw/zinc/21/99/12/1223219912.db2.gz MAEJJGHLTDBAGE-SJLPKXTDSA-N 1 3 360.502 0.734 20 0 FCADHO CNC(=O)CNCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162817024 1223219916 /nfs/dbraw/zinc/21/99/16/1223219916.db2.gz MAEJJGHLTDBAGE-SJLPKXTDSA-N 1 3 360.502 0.734 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCNCC(N)=O)CCc2ccccc2)CC[N@@H+]1C ZINC001162810122 1223220261 /nfs/dbraw/zinc/22/02/61/1223220261.db2.gz DVECZZUBKYAWOZ-ZWKOTPCHSA-N 1 3 360.502 0.863 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCNCC(N)=O)CCc2ccccc2)CC[N@H+]1C ZINC001162810122 1223220262 /nfs/dbraw/zinc/22/02/62/1223220262.db2.gz DVECZZUBKYAWOZ-ZWKOTPCHSA-N 1 3 360.502 0.863 20 0 FCADHO C[NH+](C)CCCNC(=O)c1cccnc1NCc1nnn2c1CNCCC2 ZINC001162973342 1223222794 /nfs/dbraw/zinc/22/27/94/1223222794.db2.gz IQVSGOHHQVETLN-UHFFFAOYSA-N 1 3 372.477 0.460 20 0 FCADHO O=C1N[C@@H](c2ccc(NCc3nnn4c3CNCCC4)cc2)CC12C[NH2+]C2 ZINC001162971867 1223222824 /nfs/dbraw/zinc/22/28/24/1223222824.db2.gz PLFRALAVRLHKRX-OAHLLOKOSA-N 1 3 367.457 0.534 20 0 FCADHO CCN(CC)CCNC(=[NH2+])Nc1nc(N2CCOCC2)nc2c1CCN2 ZINC001163125770 1223227012 /nfs/dbraw/zinc/22/70/12/1223227012.db2.gz JQVNFLYDYBSXOP-UHFFFAOYSA-N 1 3 362.482 0.559 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001164526348 1223239425 /nfs/dbraw/zinc/23/94/25/1223239425.db2.gz DYDYXGCYBADZTL-MSOLQXFVSA-N 1 3 358.486 0.564 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1=O ZINC001164526348 1223239426 /nfs/dbraw/zinc/23/94/26/1223239426.db2.gz DYDYXGCYBADZTL-MSOLQXFVSA-N 1 3 358.486 0.564 20 0 FCADHO C[C@H]1CCCN1C(=O)c1nn(-c2ncc3c(n2)CC[NH2+]C3)c2c1CNCC2 ZINC001165937621 1223262357 /nfs/dbraw/zinc/26/23/57/1223262357.db2.gz LPWCBLMJSCFZJC-LBPRGKRZSA-N 1 3 367.457 0.578 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001207397719 1223443488 /nfs/dbraw/zinc/44/34/88/1223443488.db2.gz RCLPONWGBUBNPX-BRWVUGGUSA-N 1 3 361.490 0.724 20 0 FCADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859765 1223486573 /nfs/dbraw/zinc/48/65/73/1223486573.db2.gz WQZUBFGNDWJTCC-IXDOHACOSA-N 1 3 369.506 0.075 20 0 FCADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208074644 1223514268 /nfs/dbraw/zinc/51/42/68/1223514268.db2.gz ZYXKBYFPOIJSSP-SOUVJXGZSA-N 1 3 367.494 0.143 20 0 FCADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208074644 1223514272 /nfs/dbraw/zinc/51/42/72/1223514272.db2.gz ZYXKBYFPOIJSSP-SOUVJXGZSA-N 1 3 367.494 0.143 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)nnn4C)C2)C1=O ZINC001276567142 1223527430 /nfs/dbraw/zinc/52/74/30/1223527430.db2.gz VYYJXXCPYGAQBK-LJQANCHMSA-N 1 3 356.474 0.954 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)nnn4C)C2)C1=O ZINC001276567142 1223527435 /nfs/dbraw/zinc/52/74/35/1223527435.db2.gz VYYJXXCPYGAQBK-LJQANCHMSA-N 1 3 356.474 0.954 20 0 FCADHO COC(=O)c1cccc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001276589498 1223580092 /nfs/dbraw/zinc/58/00/92/1223580092.db2.gz UTJHAHZTPQWNLV-IBGZPJMESA-N 1 3 360.458 0.854 20 0 FCADHO C[NH+](C)CCCN1CCC2(CCC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001276610354 1223593983 /nfs/dbraw/zinc/59/39/83/1223593983.db2.gz PVMOBSJGNSGWQR-UHFFFAOYSA-N 1 3 366.550 0.975 20 0 FCADHO CO[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213745219 1223843026 /nfs/dbraw/zinc/84/30/26/1223843026.db2.gz YRWRJMAGAVXODO-RCCFBDPRSA-N 1 3 371.522 0.729 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213765001 1223846124 /nfs/dbraw/zinc/84/61/24/1223846124.db2.gz ONNNQOOGEYPLDL-RCCFBDPRSA-N 1 3 371.522 0.729 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213765001 1223846125 /nfs/dbraw/zinc/84/61/25/1223846125.db2.gz ONNNQOOGEYPLDL-RCCFBDPRSA-N 1 3 371.522 0.729 20 0 FCADHO CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC001213863064 1223863831 /nfs/dbraw/zinc/86/38/31/1223863831.db2.gz BLSNEYBMTUQRFX-RCCFBDPRSA-N 1 3 371.522 0.443 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC001213863064 1223863833 /nfs/dbraw/zinc/86/38/33/1223863833.db2.gz BLSNEYBMTUQRFX-RCCFBDPRSA-N 1 3 371.522 0.443 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C)C1CC1 ZINC001214648342 1223929142 /nfs/dbraw/zinc/92/91/42/1223929142.db2.gz JFUMOBNBONSBAM-FHLIZLRMSA-N 1 3 362.518 0.776 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001214999855 1223962291 /nfs/dbraw/zinc/96/22/91/1223962291.db2.gz QADMRSYDCIUCQU-OWCLPIDISA-N 1 3 368.522 0.306 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001214999855 1223962295 /nfs/dbraw/zinc/96/22/95/1223962295.db2.gz QADMRSYDCIUCQU-OWCLPIDISA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423921 1223999058 /nfs/dbraw/zinc/99/90/58/1223999058.db2.gz XEASJGYDWGGURI-IAGOWNOFSA-N 1 3 370.538 0.696 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599309 1224008944 /nfs/dbraw/zinc/00/89/44/1224008944.db2.gz ZLLXACKVISMEKP-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001216405678 1224048997 /nfs/dbraw/zinc/04/89/97/1224048997.db2.gz OQCIKPQANQWXFV-NVXWUHKLSA-N 1 3 371.485 0.230 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463333 1224052719 /nfs/dbraw/zinc/05/27/19/1224052719.db2.gz FBENLVDNRBJVNW-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216853515 1224078933 /nfs/dbraw/zinc/07/89/33/1224078933.db2.gz FCSKXOSDZRORQM-VNHYZAJKSA-N 1 3 367.494 0.140 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994027921 1250152890 /nfs/dbraw/zinc/15/28/90/1250152890.db2.gz AXKJLORWIZHCED-IXDOHACOSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994027921 1250152900 /nfs/dbraw/zinc/15/29/00/1250152900.db2.gz AXKJLORWIZHCED-IXDOHACOSA-N 1 3 364.534 0.881 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919642235 1245610317 /nfs/dbraw/zinc/61/03/17/1245610317.db2.gz JSHFJGCFYRCCNT-ATIFRJIPSA-N 1 3 368.522 0.486 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000919642235 1245610324 /nfs/dbraw/zinc/61/03/24/1245610324.db2.gz JSHFJGCFYRCCNT-ATIFRJIPSA-N 1 3 368.522 0.486 20 0 FCADHO C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998652532 1251941637 /nfs/dbraw/zinc/94/16/37/1251941637.db2.gz BMBAAYJMMYADSK-YVSFHVDLSA-N 1 3 360.502 0.672 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001328837817 1265623674 /nfs/dbraw/zinc/62/36/74/1265623674.db2.gz SHSJDCAPHXOSHT-GVDBMIGSSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001328837817 1265623684 /nfs/dbraw/zinc/62/36/84/1265623684.db2.gz SHSJDCAPHXOSHT-GVDBMIGSSA-N 1 3 364.490 0.099 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC001002793573 1252677331 /nfs/dbraw/zinc/67/73/31/1252677331.db2.gz BOQJRBVRYRTUHF-VQHPVUNQSA-N 1 3 362.518 0.918 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC001002793573 1252677345 /nfs/dbraw/zinc/67/73/45/1252677345.db2.gz BOQJRBVRYRTUHF-VQHPVUNQSA-N 1 3 362.518 0.918 20 0 FCADHO O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004302318 1253277136 /nfs/dbraw/zinc/27/71/36/1253277136.db2.gz LHMYJDLZLKXTBM-ZACQAIPSSA-N 1 3 360.502 0.959 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001005361372 1253532138 /nfs/dbraw/zinc/53/21/38/1253532138.db2.gz UOJHZRNHJCYXQJ-PXGUKHNGSA-N 1 3 359.474 0.931 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001005361372 1253532146 /nfs/dbraw/zinc/53/21/46/1253532146.db2.gz UOJHZRNHJCYXQJ-PXGUKHNGSA-N 1 3 359.474 0.931 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027418491 1253851184 /nfs/dbraw/zinc/85/11/84/1253851184.db2.gz DYRZHOLVZOLNNA-IXDOHACOSA-N 1 3 365.522 0.665 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027418491 1253851193 /nfs/dbraw/zinc/85/11/93/1253851193.db2.gz DYRZHOLVZOLNNA-IXDOHACOSA-N 1 3 365.522 0.665 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CN(CC)CC)CC[N@@H+]1C ZINC001061623198 1254194659 /nfs/dbraw/zinc/19/46/59/1254194659.db2.gz VYQVEGKOYVIHMY-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CN(CC)CC)CC[N@H+]1C ZINC001061623198 1254194664 /nfs/dbraw/zinc/19/46/64/1254194664.db2.gz VYQVEGKOYVIHMY-YESZJQIVSA-N 1 3 368.522 0.402 20 0 FCADHO Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CN(C(C)C)CCO3)C2)c1 ZINC001077565747 1254698831 /nfs/dbraw/zinc/69/88/31/1254698831.db2.gz WRPXNSJLNJHCTD-QRVBRYPASA-N 1 3 361.486 0.766 20 0 FCADHO Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CN(C(C)C)CCO3)C2)c1 ZINC001077565747 1254698858 /nfs/dbraw/zinc/69/88/58/1254698858.db2.gz WRPXNSJLNJHCTD-QRVBRYPASA-N 1 3 361.486 0.766 20 0 FCADHO COC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263214 1255494079 /nfs/dbraw/zinc/49/40/79/1255494079.db2.gz NZIIWZFDIAGENQ-HYVNUMGLSA-N 1 3 362.474 0.927 20 0 FCADHO CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080876886 1256069467 /nfs/dbraw/zinc/06/94/67/1256069467.db2.gz USHCYVNTBYCBOT-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080876886 1256069475 /nfs/dbraw/zinc/06/94/75/1256069475.db2.gz USHCYVNTBYCBOT-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082653305 1256958053 /nfs/dbraw/zinc/95/80/53/1256958053.db2.gz FCQOPCPSGOIKPY-LGFHUAIBSA-N 1 3 363.502 0.713 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1)N(C)C ZINC001082747357 1257028580 /nfs/dbraw/zinc/02/85/80/1257028580.db2.gz NVAICSMVNRXWAX-YUELXQCFSA-N 1 3 360.462 0.299 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082767070 1257040792 /nfs/dbraw/zinc/04/07/92/1257040792.db2.gz RPZKGVNHQPSPRS-TZMCWYRMSA-N 1 3 360.466 0.373 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082783440 1257048189 /nfs/dbraw/zinc/04/81/89/1257048189.db2.gz YOELLKXUDLFEKG-ZACQAIPSSA-N 1 3 365.522 0.711 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088289 1257913271 /nfs/dbraw/zinc/91/32/71/1257913271.db2.gz ZUASXZCSNDZDPI-QRQLOZEOSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088289 1257913274 /nfs/dbraw/zinc/91/32/74/1257913274.db2.gz ZUASXZCSNDZDPI-QRQLOZEOSA-N 1 3 361.486 0.950 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212876 1258737688 /nfs/dbraw/zinc/73/76/88/1258737688.db2.gz YIVRPUCUMJHCBY-SQNIBIBYSA-N 1 3 360.506 0.933 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088212876 1258737693 /nfs/dbraw/zinc/73/76/93/1258737693.db2.gz YIVRPUCUMJHCBY-SQNIBIBYSA-N 1 3 360.506 0.933 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC001331416737 1266213125 /nfs/dbraw/zinc/21/31/25/1266213125.db2.gz WCVPWKZERSBGEU-OAHLLOKOSA-N 1 3 361.490 0.739 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001100345027 1258908984 /nfs/dbraw/zinc/90/89/84/1258908984.db2.gz MYYPMRFKKQCODA-PFSRBDOWSA-N 1 3 363.462 0.828 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001100345027 1258908990 /nfs/dbraw/zinc/90/89/90/1258908990.db2.gz MYYPMRFKKQCODA-PFSRBDOWSA-N 1 3 363.462 0.828 20 0 FCADHO C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NC1CC1)CC2)C1CC1 ZINC001107439357 1259090635 /nfs/dbraw/zinc/09/06/35/1259090635.db2.gz XJBNJZBKVXHDMM-IMFGXOCKSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001127643705 1259183358 /nfs/dbraw/zinc/18/33/58/1259183358.db2.gz HMUXDHIISKLWAW-RHSMWYFYSA-N 1 3 364.465 0.830 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC001127643705 1259183364 /nfs/dbraw/zinc/18/33/64/1259183364.db2.gz HMUXDHIISKLWAW-RHSMWYFYSA-N 1 3 364.465 0.830 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)CC[N@@H+]1C ZINC001127701465 1259184113 /nfs/dbraw/zinc/18/41/13/1259184113.db2.gz POYHBESFFISQTC-BBWFWOEESA-N 1 3 366.506 0.060 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)CC[N@H+]1C ZINC001127701465 1259184117 /nfs/dbraw/zinc/18/41/17/1259184117.db2.gz POYHBESFFISQTC-BBWFWOEESA-N 1 3 366.506 0.060 20 0 FCADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001331604043 1266247715 /nfs/dbraw/zinc/24/77/15/1266247715.db2.gz MKSCYNGYYDQSTL-BZSNNMDCSA-N 1 3 374.485 0.247 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157593772 1259385054 /nfs/dbraw/zinc/38/50/54/1259385054.db2.gz WRGYAONTTAVQNX-XHSDSOJGSA-N 1 3 356.470 0.668 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157593772 1259385060 /nfs/dbraw/zinc/38/50/60/1259385060.db2.gz WRGYAONTTAVQNX-XHSDSOJGSA-N 1 3 356.470 0.668 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001335290808 1259590076 /nfs/dbraw/zinc/59/00/76/1259590076.db2.gz XJGMUFANNFFHIX-UHFFFAOYSA-N 1 3 350.507 0.827 20 0 FCADHO C[NH+]1CCC(CN2CCN(C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC2)CC1 ZINC001236434111 1259590067 /nfs/dbraw/zinc/59/00/67/1259590067.db2.gz OGVVSQKDURLLGK-MHORFTMASA-N 1 3 369.506 0.183 20 0 FCADHO COc1ccc(CN2CC[C@@H]([NH2+]C[C@]3(O)CCNC[C@@H]3F)CC2=O)cc1 ZINC001246085009 1259647995 /nfs/dbraw/zinc/64/79/95/1259647995.db2.gz VJJPNVHVMGOWOL-HHXXYDBFSA-N 1 3 365.449 0.838 20 0 FCADHO COc1ccc(CN2CC[C@H]([N@@H+]3C[C@@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246580736 1259657715 /nfs/dbraw/zinc/65/77/15/1259657715.db2.gz OGWVKUMTICDRSA-YQQAZPJKSA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@H]([N@H+]3C[C@@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246580736 1259657725 /nfs/dbraw/zinc/65/77/25/1259657725.db2.gz OGWVKUMTICDRSA-YQQAZPJKSA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@H](N3C[C@@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246580736 1259657736 /nfs/dbraw/zinc/65/77/36/1259657736.db2.gz OGWVKUMTICDRSA-YQQAZPJKSA-N 1 3 363.458 0.446 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246729859 1259671530 /nfs/dbraw/zinc/67/15/30/1259671530.db2.gz PWTLUTDLGKNUBY-KGLIPLIRSA-N 1 3 358.490 0.420 20 0 FCADHO O=C1N(Cc2ccncc2)CC[C@@]12CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246753727 1259679409 /nfs/dbraw/zinc/67/94/09/1259679409.db2.gz CNRYYCJDKWCYOT-AZUAARDMSA-N 1 3 369.513 0.990 20 0 FCADHO c1cnc(N2CCC[C@]3(C2)CN([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756226 1259682762 /nfs/dbraw/zinc/68/27/62/1259682762.db2.gz MUQJVBUYKIKVMP-QFBILLFUSA-N 1 3 358.490 0.242 20 0 FCADHO CN1CCN(Cc2cccc(CNS(=O)(=O)CCC[NH+](C)C)c2)CC1 ZINC001335530774 1259701256 /nfs/dbraw/zinc/70/12/56/1259701256.db2.gz PHRYFMPEMPHRMD-UHFFFAOYSA-N 1 3 368.547 0.805 20 0 FCADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H](O)CN3CCOCC3)c2)CC1 ZINC001251035869 1259734688 /nfs/dbraw/zinc/73/46/88/1259734688.db2.gz PZCAEPWKMKWFQV-HXUWFJFHSA-N 1 3 362.518 0.217 20 0 FCADHO CCOC[C@H](O)CN1CCC([NH+]2CCC(N3CCN(C)CC3)CC2)CC1 ZINC001252031802 1259776136 /nfs/dbraw/zinc/77/61/36/1259776136.db2.gz FCFHVTDQZZARLW-HXUWFJFHSA-N 1 3 368.566 0.560 20 0 FCADHO O=C1COC2(CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)CN1 ZINC001254040421 1259868598 /nfs/dbraw/zinc/86/85/98/1259868598.db2.gz SSZCOOCKXCIXKL-UHFFFAOYSA-N 1 3 373.497 0.995 20 0 FCADHO COC(=O)CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254052655 1259869961 /nfs/dbraw/zinc/86/99/61/1259869961.db2.gz QBPNOCAGBVSQAW-HNNXBMFYSA-N 1 3 363.458 0.281 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC001261452280 1260141071 /nfs/dbraw/zinc/14/10/71/1260141071.db2.gz YVBGMVKJNTWJIW-QGZVFWFLSA-N 1 3 359.474 0.635 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@@H](C)C1 ZINC001336943569 1260262502 /nfs/dbraw/zinc/26/25/02/1260262502.db2.gz YCYKIWVTFXPBML-DLBZAZTESA-N 1 3 355.527 0.158 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249416 1260635695 /nfs/dbraw/zinc/63/56/95/1260635695.db2.gz VFGYFXKDMHISET-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001273249416 1260635702 /nfs/dbraw/zinc/63/57/02/1260635702.db2.gz VFGYFXKDMHISET-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO O=C1CC[C@@H](CN2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472466 1260695638 /nfs/dbraw/zinc/69/56/38/1260695638.db2.gz NMLVXHUGTDMRJB-USXIJHARSA-N 1 3 360.502 0.720 20 0 FCADHO O=C1CC[C@@H](CN2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C4CCCC4)C[C@H]23)N1 ZINC001278472466 1260695643 /nfs/dbraw/zinc/69/56/43/1260695643.db2.gz NMLVXHUGTDMRJB-USXIJHARSA-N 1 3 360.502 0.720 20 0 FCADHO C[C@H]1NC=C2C(=O)OCCC2=C1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)C ZINC001279256855 1260813377 /nfs/dbraw/zinc/81/33/77/1260813377.db2.gz LIZFJZZOBUHZLW-OAGGEKHMSA-N 1 3 360.502 0.816 20 0 FCADHO C[C@H]1NC=C2C(=O)OCCC2=C1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)C ZINC001279256855 1260813380 /nfs/dbraw/zinc/81/33/80/1260813380.db2.gz LIZFJZZOBUHZLW-OAGGEKHMSA-N 1 3 360.502 0.816 20 0 FCADHO C[NH+](C)CCN1CCN(Cc2cc[nH]c(=O)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279570095 1260894246 /nfs/dbraw/zinc/89/42/46/1260894246.db2.gz SCRJHPOGUZULBC-LJQANCHMSA-N 1 3 361.490 0.505 20 0 FCADHO C[C@@H]1Cc2nnc(C(=O)N3CC=CC3)n2CCN1CC1CC[NH+](C)CC1 ZINC001280125129 1261010631 /nfs/dbraw/zinc/01/06/31/1261010631.db2.gz DNLCRQYZQCEULN-OAHLLOKOSA-N 1 3 358.490 0.879 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001281857447 1261238403 /nfs/dbraw/zinc/23/84/03/1261238403.db2.gz NLTXRYFAIDOPFQ-BRWVUGGUSA-N 1 3 368.522 0.545 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001281857447 1261238406 /nfs/dbraw/zinc/23/84/06/1261238406.db2.gz NLTXRYFAIDOPFQ-BRWVUGGUSA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)N(C)C ZINC001281899220 1261268333 /nfs/dbraw/zinc/26/83/33/1261268333.db2.gz QQVHXOIZXJJBGS-RYRKJORJSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1O)N(C)C ZINC001281911701 1261279814 /nfs/dbraw/zinc/27/98/14/1261279814.db2.gz UVARMTNRCRWCFE-IKGGRYGDSA-N 1 3 368.522 0.135 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001282298423 1261407144 /nfs/dbraw/zinc/40/71/44/1261407144.db2.gz WHFMVAPERHLYMD-MSOLQXFVSA-N 1 3 364.534 0.977 20 0 FCADHO [NH3+]CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001580318262 1278119236 /nfs/dbraw/zinc/11/92/36/1278119236.db2.gz LNHBOOKQJIXNQO-MRXNPFEDSA-N 1 3 364.494 0.779 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580322783 1278123768 /nfs/dbraw/zinc/12/37/68/1278123768.db2.gz TYWKSRKXSNFVGI-XOKHGSTOSA-N 1 3 369.473 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580322783 1278123773 /nfs/dbraw/zinc/12/37/73/1278123773.db2.gz TYWKSRKXSNFVGI-XOKHGSTOSA-N 1 3 369.473 0.755 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001289499607 1262224330 /nfs/dbraw/zinc/22/43/30/1262224330.db2.gz KIFZHITVQIJHNF-NCOADZHNSA-N 1 3 370.538 0.501 20 0 FCADHO CC1(N2CCOCC2)CCC([NH2+]CCCCn2cc(C(N)=O)nn2)CC1 ZINC001308815810 1263219248 /nfs/dbraw/zinc/21/92/48/1263219248.db2.gz QFTJBJLPGHKIBZ-UHFFFAOYSA-N 1 3 364.494 0.780 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001479511619 1263235602 /nfs/dbraw/zinc/23/56/02/1263235602.db2.gz SHOMJGSKXZJBNC-BHYGNILZSA-N 1 3 351.495 0.681 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001316708230 1263432359 /nfs/dbraw/zinc/43/23/59/1263432359.db2.gz MHUYTBLPIVIFDM-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632320 1263517798 /nfs/dbraw/zinc/51/77/98/1263517798.db2.gz SWEGPUOLZBTYMB-NXHRZFHOSA-N 1 3 360.502 0.857 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)N(C)C ZINC001317632320 1263517804 /nfs/dbraw/zinc/51/78/04/1263517804.db2.gz SWEGPUOLZBTYMB-NXHRZFHOSA-N 1 3 360.502 0.857 20 0 FCADHO C[C@H](NC(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001487189257 1263594129 /nfs/dbraw/zinc/59/41/29/1263594129.db2.gz CAIHIJUEAMLQBT-JJRVBVJISA-N 1 3 350.507 0.774 20 0 FCADHO C[C@H](NC(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001487189257 1263594137 /nfs/dbraw/zinc/59/41/37/1263594137.db2.gz CAIHIJUEAMLQBT-JJRVBVJISA-N 1 3 350.507 0.774 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)COC1 ZINC001321806574 1264068398 /nfs/dbraw/zinc/06/83/98/1264068398.db2.gz QXYMGMPKWPSABA-WCVJEAGWSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580405805 1278242654 /nfs/dbraw/zinc/24/26/54/1278242654.db2.gz JDENLIMUMDPNJG-GFCCVEGCSA-N 1 3 373.436 0.696 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OC2CCC2)CC1 ZINC001326123446 1265061954 /nfs/dbraw/zinc/06/19/54/1265061954.db2.gz OHXKYNKNFDTMLS-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CC1(CN[C@H]2CCC[C@H]2C(=O)OC)COC1 ZINC001326571253 1265137384 /nfs/dbraw/zinc/13/73/84/1265137384.db2.gz FVJDTRDCLJYMND-FPCVCCKLSA-N 1 3 368.474 0.866 20 0 FCADHO COC(=O)[C@@H]1CCC[C@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)COC1 ZINC001326571253 1265137386 /nfs/dbraw/zinc/13/73/86/1265137386.db2.gz FVJDTRDCLJYMND-FPCVCCKLSA-N 1 3 368.474 0.866 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326608324 1265141444 /nfs/dbraw/zinc/14/14/44/1265141444.db2.gz PLBOGFHDOSURLS-BXWFABGCSA-N 1 3 366.506 0.143 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C[C@H]21 ZINC001514148893 1265327719 /nfs/dbraw/zinc/32/77/19/1265327719.db2.gz BYYWTPAHKYVZDT-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C[C@H]21 ZINC001514148893 1265327733 /nfs/dbraw/zinc/32/77/33/1265327733.db2.gz BYYWTPAHKYVZDT-BRWVUGGUSA-N 1 3 350.507 0.729 20 0 FCADHO [NH3+][C@H]1C[C@@H](c2nnc(N3CCS(=O)CC3)n2CCN2CCCC2)C1 ZINC001580426222 1278284796 /nfs/dbraw/zinc/28/47/96/1278284796.db2.gz SINIDNUANGXWKO-OKILXGFUSA-N 1 3 352.508 0.147 20 0 FCADHO C[C@@H](NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001334211934 1266888048 /nfs/dbraw/zinc/88/80/48/1266888048.db2.gz BUCJZASWFMGYOO-CVEARBPZSA-N 1 3 365.522 0.890 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)CC1=O ZINC001549073010 1267798949 /nfs/dbraw/zinc/79/89/49/1267798949.db2.gz AFJUQCRYOFCOCR-WDEREUQCSA-N 1 3 351.476 0.308 20 0 FCADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H](n4ccnn4)[C@@H]([NH3+])C3)C2)cc1 ZINC001549756510 1267990109 /nfs/dbraw/zinc/99/01/09/1267990109.db2.gz SZYAJTMONUYUAI-OKZBNKHCSA-N 1 3 369.473 0.755 20 0 FCADHO CN1CCN(c2cc(C(=O)N3CC[C@@H](N4CC[NH+](C)CC4)C3)ccn2)CC1 ZINC001550006197 1268044936 /nfs/dbraw/zinc/04/49/36/1268044936.db2.gz ZECIBMZTIHVTLC-GOSISDBHSA-N 1 3 372.517 0.295 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550199474 1268091046 /nfs/dbraw/zinc/09/10/46/1268091046.db2.gz BNRZENUSIZUTKT-SJORKVTESA-N 1 3 362.518 0.955 20 0 FCADHO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCc2cnn3c2CNCC3)cc1 ZINC001550283907 1268104566 /nfs/dbraw/zinc/10/45/66/1268104566.db2.gz JROWUAISRRFBNZ-KRWDZBQOSA-N 1 3 370.457 0.851 20 0 FCADHO Cc1ccc2nc(CN[C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)cc(=O)n2c1 ZINC001550911609 1268182946 /nfs/dbraw/zinc/18/29/46/1268182946.db2.gz DXIDOIOPPXVKKD-OXJNMPFZSA-N 1 3 369.469 0.739 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1ccccc1F ZINC001550911005 1268183037 /nfs/dbraw/zinc/18/30/37/1268183037.db2.gz CUJSTIDUQVLBFK-LPHOPBHVSA-N 1 3 362.449 0.678 20 0 FCADHO CC1CCC(NC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC001550914707 1268183844 /nfs/dbraw/zinc/18/38/44/1268183844.db2.gz ZBHAPLBAXRJUQF-HOUAELIMSA-N 1 3 350.507 0.918 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1cccs1 ZINC001550914367 1268184150 /nfs/dbraw/zinc/18/41/50/1268184150.db2.gz UEBVHBNHBSNUMM-YOEHRIQHSA-N 1 3 350.488 0.601 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC001550913261 1268184514 /nfs/dbraw/zinc/18/45/14/1268184514.db2.gz NISSLVIIUXABLP-QFBILLFUSA-N 1 3 350.507 0.919 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001551497367 1268262088 /nfs/dbraw/zinc/26/20/88/1268262088.db2.gz LWKGNJZJWCWEKX-UHFFFAOYSA-N 1 3 353.511 0.224 20 0 FCADHO CC(C)[NH2+]C1CCN(c2nnc(C3CCN(CCO)CC3)n2C)CC1 ZINC001339896252 1268362322 /nfs/dbraw/zinc/36/23/22/1268362322.db2.gz PUGOSXCUVXWURQ-UHFFFAOYSA-N 1 3 350.511 0.954 20 0 FCADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199597 1268407066 /nfs/dbraw/zinc/40/70/66/1268407066.db2.gz AVDYRPQFUKNLGH-XLIONFOSSA-N 1 3 359.470 0.496 20 0 FCADHO CCC(C)(C)N1CCN(C(=O)Cn2cc([C@@H]3C[NH2+]C[C@@H]3OC)nn2)CC1 ZINC001552210487 1268411315 /nfs/dbraw/zinc/41/13/15/1268411315.db2.gz ANDZHSQMYZNUDG-HOCLYGCPSA-N 1 3 364.494 0.313 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)NC[C@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234459 1268417902 /nfs/dbraw/zinc/41/79/02/1268417902.db2.gz BYBLWKYXHFLYBM-NVXWUHKLSA-N 1 3 369.473 0.970 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606553 1268489264 /nfs/dbraw/zinc/48/92/64/1268489264.db2.gz CGBFXMVBSYPCBC-OAGGEKHMSA-N 1 3 363.510 0.895 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1n1ccnn1 ZINC001552606553 1268489268 /nfs/dbraw/zinc/48/92/68/1268489268.db2.gz CGBFXMVBSYPCBC-OAGGEKHMSA-N 1 3 363.510 0.895 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC001552844171 1268558271 /nfs/dbraw/zinc/55/82/71/1268558271.db2.gz JPCOCGPRKWKZDQ-LVQVYYBASA-N 1 3 362.861 0.413 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001340486434 1268564572 /nfs/dbraw/zinc/56/45/72/1268564572.db2.gz NBTVLPSQGVDBPS-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO Cn1cc([C@@H]2[C@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCCN2C)cn1 ZINC001552976180 1268571231 /nfs/dbraw/zinc/57/12/31/1268571231.db2.gz OPOVONCGQKJUML-YJBOKZPZSA-N 1 3 362.522 0.413 20 0 FCADHO Cn1cc([C@@H]2[C@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCCN2C)cn1 ZINC001552976180 1268571235 /nfs/dbraw/zinc/57/12/35/1268571235.db2.gz OPOVONCGQKJUML-YJBOKZPZSA-N 1 3 362.522 0.413 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)NC1CCN(CCO)CC1)C2 ZINC001552996894 1268574922 /nfs/dbraw/zinc/57/49/22/1268574922.db2.gz WSWJLJFYGNFOKL-ZMMAXQRCSA-N 1 3 368.522 0.222 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)NC1CCN(CCO)CC1)C2 ZINC001552996894 1268574929 /nfs/dbraw/zinc/57/49/29/1268574929.db2.gz WSWJLJFYGNFOKL-ZMMAXQRCSA-N 1 3 368.522 0.222 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COc2ccccc2C1 ZINC001340696071 1268625971 /nfs/dbraw/zinc/62/59/71/1268625971.db2.gz CKASHHWHHILBNX-MRXNPFEDSA-N 1 3 362.474 0.058 20 0 FCADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037536 1269405069 /nfs/dbraw/zinc/40/50/69/1269405069.db2.gz OIOBTCXPTJPQAC-DLBZAZTESA-N 1 3 355.527 0.016 20 0 FCADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037536 1269405075 /nfs/dbraw/zinc/40/50/75/1269405075.db2.gz OIOBTCXPTJPQAC-DLBZAZTESA-N 1 3 355.527 0.016 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001565866024 1269498500 /nfs/dbraw/zinc/49/85/00/1269498500.db2.gz VNMHWSDLTXOEFG-AAVRWANBSA-N 1 3 365.503 0.906 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001565866024 1269498506 /nfs/dbraw/zinc/49/85/06/1269498506.db2.gz VNMHWSDLTXOEFG-AAVRWANBSA-N 1 3 365.503 0.906 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1OC ZINC001343015600 1269731517 /nfs/dbraw/zinc/73/15/17/1269731517.db2.gz UVGUEVUOLYCUEX-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1OC ZINC001343015600 1269731523 /nfs/dbraw/zinc/73/15/23/1269731523.db2.gz UVGUEVUOLYCUEX-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)N(C)C ZINC001572819340 1270190634 /nfs/dbraw/zinc/19/06/34/1270190634.db2.gz KXCQGJNFWPEULR-BRWVUGGUSA-N 1 3 368.522 0.281 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNCc2cn[nH]n2)CC1 ZINC001575421289 1272083603 /nfs/dbraw/zinc/08/36/03/1272083603.db2.gz SMJCWOILZIRVQQ-HNNXBMFYSA-N 1 3 350.467 0.121 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNCc2cn[nH]n2)CC1 ZINC001575421289 1272083615 /nfs/dbraw/zinc/08/36/15/1272083615.db2.gz SMJCWOILZIRVQQ-HNNXBMFYSA-N 1 3 350.467 0.121 20 0 FCADHO CC(C)[C@@H]1[NH2+]CC12CCN([C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)CC2 ZINC001575524987 1272178313 /nfs/dbraw/zinc/17/83/13/1272178313.db2.gz XISONDVIVOIBDB-XHSDSOJGSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H](NCc1cn[nH]n1)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695975 1272314555 /nfs/dbraw/zinc/31/45/55/1272314555.db2.gz KQLVFXBKMNEDNL-PBHICJAKSA-N 1 3 364.494 0.775 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576247347 1273025748 /nfs/dbraw/zinc/02/57/48/1273025748.db2.gz OJJROHAVZBHDJQ-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576247347 1273025758 /nfs/dbraw/zinc/02/57/58/1273025758.db2.gz OJJROHAVZBHDJQ-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576785445 1273676026 /nfs/dbraw/zinc/67/60/26/1273676026.db2.gz LYDOTSUYKGGGHN-HNNXBMFYSA-N 1 3 369.473 0.947 20 0 FCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576785445 1273676032 /nfs/dbraw/zinc/67/60/32/1273676032.db2.gz LYDOTSUYKGGGHN-HNNXBMFYSA-N 1 3 369.473 0.947 20 0 FCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576785448 1273677389 /nfs/dbraw/zinc/67/73/89/1273677389.db2.gz LYDOTSUYKGGGHN-OAHLLOKOSA-N 1 3 369.473 0.947 20 0 FCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576785448 1273677401 /nfs/dbraw/zinc/67/74/01/1273677401.db2.gz LYDOTSUYKGGGHN-OAHLLOKOSA-N 1 3 369.473 0.947 20 0 FCADHO CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576815316 1273732903 /nfs/dbraw/zinc/73/29/03/1273732903.db2.gz DLGSLBAKIHVTAG-CYBMUJFWSA-N 1 3 363.441 0.942 20 0 FCADHO COCCN(CCNC(=O)C12CCC[NH+](CCC1)C2)CCc1c[nH]nn1 ZINC001576999210 1274033669 /nfs/dbraw/zinc/03/36/69/1274033669.db2.gz GLDOXQCOAROIIG-UHFFFAOYSA-N 1 3 364.494 0.288 20 0 FCADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH3+])C[C@H]1C ZINC001577760597 1274844189 /nfs/dbraw/zinc/84/41/89/1274844189.db2.gz YRHUUTWIPICRNE-ILXRZTDVSA-N 1 3 363.510 0.887 20 0 FCADHO CCN1CCN([C@H]2CCN(c3nnc(C)n3C[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775993 1274866627 /nfs/dbraw/zinc/86/66/27/1274866627.db2.gz UWYRXHJHKRMOPS-MSOLQXFVSA-N 1 3 361.538 0.802 20 0 FCADHO CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001577865327 1275040909 /nfs/dbraw/zinc/04/09/09/1275040909.db2.gz JWXKHTNBBMMGGT-ZNMIVQPWSA-N 1 3 363.510 0.758 20 0 FCADHO CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001577866349 1275042714 /nfs/dbraw/zinc/04/27/14/1275042714.db2.gz FKIWQLGJFYSYDC-UHFFFAOYSA-N 1 3 357.462 0.947 20 0 FCADHO CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001577866349 1275042731 /nfs/dbraw/zinc/04/27/31/1275042731.db2.gz FKIWQLGJFYSYDC-UHFFFAOYSA-N 1 3 357.462 0.947 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577869484 1275052514 /nfs/dbraw/zinc/05/25/14/1275052514.db2.gz FBQIXHIYGJBUDG-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577869484 1275052522 /nfs/dbraw/zinc/05/25/22/1275052522.db2.gz FBQIXHIYGJBUDG-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001577869667 1275056061 /nfs/dbraw/zinc/05/60/61/1275056061.db2.gz NFDCRPWCHRNLDE-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001577869667 1275056068 /nfs/dbraw/zinc/05/60/68/1275056068.db2.gz NFDCRPWCHRNLDE-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950140 1275172513 /nfs/dbraw/zinc/17/25/13/1275172513.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950140 1275172516 /nfs/dbraw/zinc/17/25/16/1275172516.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950140 1275172523 /nfs/dbraw/zinc/17/25/23/1275172523.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001577950140 1275172526 /nfs/dbraw/zinc/17/25/26/1275172526.db2.gz ZBWUOXRXMMSKGP-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2[NH2+]1 ZINC001578324163 1275670349 /nfs/dbraw/zinc/67/03/49/1275670349.db2.gz HKYOOSNTVNQPAB-IKGGRYGDSA-N 1 3 362.522 0.995 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001578397582 1275771856 /nfs/dbraw/zinc/77/18/56/1275771856.db2.gz RGJXDHINBDKCKB-HUUCEWRRSA-N 1 3 353.511 0.616 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC001578528125 1275960153 /nfs/dbraw/zinc/96/01/53/1275960153.db2.gz DMMSFJAQQXPOMV-ROUUACIJSA-N 1 3 356.470 0.638 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529658 1275961913 /nfs/dbraw/zinc/96/19/13/1275961913.db2.gz WXJRTFUKHRZWRR-GJZGRUSLSA-N 1 3 351.495 0.323 20 0 FCADHO C[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001578719984 1276194115 /nfs/dbraw/zinc/19/41/15/1276194115.db2.gz AJXCCEMSCGGAGM-OAHLLOKOSA-N 1 3 374.493 0.057 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001578974742 1276522399 /nfs/dbraw/zinc/52/23/99/1276522399.db2.gz RPEIIZOZCBIRQG-CQSZACIVSA-N 1 3 361.425 0.648 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001578976824 1276529894 /nfs/dbraw/zinc/52/98/94/1276529894.db2.gz GLSGZSIXROQTQQ-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578977407 1276532195 /nfs/dbraw/zinc/53/21/95/1276532195.db2.gz NWLWLPAJUJXRIM-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578977407 1276532201 /nfs/dbraw/zinc/53/22/01/1276532201.db2.gz NWLWLPAJUJXRIM-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1=O ZINC001579020673 1276599733 /nfs/dbraw/zinc/59/97/33/1276599733.db2.gz HNHOKXLFNHWHAV-HOTGVXAUSA-N 1 3 354.495 0.062 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037169 1276620340 /nfs/dbraw/zinc/62/03/40/1276620340.db2.gz IRELVHVIISYJGC-BZUAXINKSA-N 1 3 354.495 0.047 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037169 1276620349 /nfs/dbraw/zinc/62/03/49/1276620349.db2.gz IRELVHVIISYJGC-BZUAXINKSA-N 1 3 354.495 0.047 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001579120485 1276793453 /nfs/dbraw/zinc/79/34/53/1276793453.db2.gz FUESTKDREOTVRB-WNRNVDISSA-N 1 3 362.474 0.155 20 0 FCADHO CN(CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579131557 1276822266 /nfs/dbraw/zinc/82/22/66/1276822266.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 1 3 357.462 0.709 20 0 FCADHO CN(CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001579131557 1276822283 /nfs/dbraw/zinc/82/22/83/1276822283.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 1 3 357.462 0.709 20 0 FCADHO CN(CC[NH+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001579131557 1276822305 /nfs/dbraw/zinc/82/23/05/1276822305.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 1 3 357.462 0.709 20 0 FCADHO CN(CC[NH+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001579131557 1276822325 /nfs/dbraw/zinc/82/23/25/1276822325.db2.gz ARBNCPMNDFURKU-HNNXBMFYSA-N 1 3 357.462 0.709 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326823 1277151658 /nfs/dbraw/zinc/15/16/58/1277151658.db2.gz MUYAKKOZHLDLQR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326823 1277151662 /nfs/dbraw/zinc/15/16/62/1277151662.db2.gz MUYAKKOZHLDLQR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326823 1277151669 /nfs/dbraw/zinc/15/16/69/1277151669.db2.gz MUYAKKOZHLDLQR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326823 1277151673 /nfs/dbraw/zinc/15/16/73/1277151673.db2.gz MUYAKKOZHLDLQR-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CCC2)C1 ZINC001579331280 1277159793 /nfs/dbraw/zinc/15/97/93/1277159793.db2.gz BVRBSOPQOXGINP-HNNXBMFYSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CCC2)C1 ZINC001579331280 1277159795 /nfs/dbraw/zinc/15/97/95/1277159795.db2.gz BVRBSOPQOXGINP-HNNXBMFYSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[n-]n3)CCC2)C1 ZINC001579331280 1277159797 /nfs/dbraw/zinc/15/97/97/1277159797.db2.gz BVRBSOPQOXGINP-HNNXBMFYSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[n-]n3)CCC2)C1 ZINC001579331280 1277159799 /nfs/dbraw/zinc/15/97/99/1277159799.db2.gz BVRBSOPQOXGINP-HNNXBMFYSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331359 1277160192 /nfs/dbraw/zinc/16/01/92/1277160192.db2.gz AUXZVINJRJZYOI-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331359 1277160195 /nfs/dbraw/zinc/16/01/95/1277160195.db2.gz AUXZVINJRJZYOI-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001579331242 1277160358 /nfs/dbraw/zinc/16/03/58/1277160358.db2.gz BNQKZXQVIIYDGW-CYBMUJFWSA-N 1 3 373.436 0.696 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001579331242 1277160361 /nfs/dbraw/zinc/16/03/61/1277160361.db2.gz BNQKZXQVIIYDGW-CYBMUJFWSA-N 1 3 373.436 0.696 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331793 1277161482 /nfs/dbraw/zinc/16/14/82/1277161482.db2.gz FQWMVIYYTTVQIC-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331793 1277161485 /nfs/dbraw/zinc/16/14/85/1277161485.db2.gz FQWMVIYYTTVQIC-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331793 1277161488 /nfs/dbraw/zinc/16/14/88/1277161488.db2.gz FQWMVIYYTTVQIC-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331793 1277161493 /nfs/dbraw/zinc/16/14/93/1277161493.db2.gz FQWMVIYYTTVQIC-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331693 1277162927 /nfs/dbraw/zinc/16/29/27/1277162927.db2.gz GPYIXTPUKBFDOS-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001579331693 1277162928 /nfs/dbraw/zinc/16/29/28/1277162928.db2.gz GPYIXTPUKBFDOS-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331693 1277162929 /nfs/dbraw/zinc/16/29/29/1277162929.db2.gz GPYIXTPUKBFDOS-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001579331693 1277162930 /nfs/dbraw/zinc/16/29/30/1277162930.db2.gz GPYIXTPUKBFDOS-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CCC2)C1 ZINC001579331886 1277163755 /nfs/dbraw/zinc/16/37/55/1277163755.db2.gz IIAISSVLUMRNNY-MRXNPFEDSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CCC2)C1 ZINC001579331886 1277163759 /nfs/dbraw/zinc/16/37/59/1277163759.db2.gz IIAISSVLUMRNNY-MRXNPFEDSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CCC2)C1 ZINC001579331886 1277163765 /nfs/dbraw/zinc/16/37/65/1277163765.db2.gz IIAISSVLUMRNNY-MRXNPFEDSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CCC2)C1 ZINC001579331886 1277163767 /nfs/dbraw/zinc/16/37/67/1277163767.db2.gz IIAISSVLUMRNNY-MRXNPFEDSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333735 1277168941 /nfs/dbraw/zinc/16/89/41/1277168941.db2.gz SNJAXOHZDYTLDV-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333735 1277168948 /nfs/dbraw/zinc/16/89/48/1277168948.db2.gz SNJAXOHZDYTLDV-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333735 1277168951 /nfs/dbraw/zinc/16/89/51/1277168951.db2.gz SNJAXOHZDYTLDV-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333735 1277168955 /nfs/dbraw/zinc/16/89/55/1277168955.db2.gz SNJAXOHZDYTLDV-IRXDYDNUSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334436 1277170744 /nfs/dbraw/zinc/17/07/44/1277170744.db2.gz FCIMPIQZVAAFDV-HSWBROFVSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334436 1277170746 /nfs/dbraw/zinc/17/07/46/1277170746.db2.gz FCIMPIQZVAAFDV-HSWBROFVSA-N 1 3 373.436 0.720 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001579340019 1277185972 /nfs/dbraw/zinc/18/59/72/1277185972.db2.gz PGUADOVBQQYYFH-WKILWMFISA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001579340019 1277185973 /nfs/dbraw/zinc/18/59/73/1277185973.db2.gz PGUADOVBQQYYFH-WKILWMFISA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H](CNCC(=O)N(C)c1nccs1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714391835 1287321146 /nfs/dbraw/zinc/32/11/46/1287321146.db2.gz WWQVXGFYSIKWCN-BFHYXJOUSA-N 1 3 367.519 0.788 20 0 FCADHO C[C@@H](CNCC(=O)N(C)c1nccs1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714391835 1287321148 /nfs/dbraw/zinc/32/11/48/1287321148.db2.gz WWQVXGFYSIKWCN-BFHYXJOUSA-N 1 3 367.519 0.788 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580279629 1278077370 /nfs/dbraw/zinc/07/73/70/1278077370.db2.gz AVXJFUZFRKMAPA-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580279629 1278077380 /nfs/dbraw/zinc/07/73/80/1278077380.db2.gz AVXJFUZFRKMAPA-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO Cc1cc(N[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991128 1279192907 /nfs/dbraw/zinc/19/29/07/1279192907.db2.gz LDAYBARKXMOBOX-BBRMVZONSA-N 1 3 374.493 0.837 20 0 FCADHO Cc1cc(N[C@@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991417 1279194822 /nfs/dbraw/zinc/19/48/22/1279194822.db2.gz OQFWJEJYACMHCU-STQMWFEESA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(N[C@@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991417 1279194827 /nfs/dbraw/zinc/19/48/27/1279194827.db2.gz OQFWJEJYACMHCU-STQMWFEESA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(N[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994992 1279202773 /nfs/dbraw/zinc/20/27/73/1279202773.db2.gz VFQDDMYGEIQGSK-CJNGLKHVSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(N[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994992 1279202782 /nfs/dbraw/zinc/20/27/82/1279202782.db2.gz VFQDDMYGEIQGSK-CJNGLKHVSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(N[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995051 1279206159 /nfs/dbraw/zinc/20/61/59/1279206159.db2.gz WMBYGDBCQBXGDK-DOMZBBRYSA-N 1 3 360.466 0.495 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001714705347 1287332379 /nfs/dbraw/zinc/33/23/79/1287332379.db2.gz FAFNXIIMOVKPSH-UPJWGTAASA-N 1 3 364.412 0.538 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001714705347 1287332381 /nfs/dbraw/zinc/33/23/81/1287332381.db2.gz FAFNXIIMOVKPSH-UPJWGTAASA-N 1 3 364.412 0.538 20 0 FCADHO Cc1cc(NCCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027847 1279262360 /nfs/dbraw/zinc/26/23/60/1279262360.db2.gz YXQCKMKPRPNPFS-MRXNPFEDSA-N 1 3 372.477 0.783 20 0 FCADHO Cc1cc(NCCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027847 1279262368 /nfs/dbraw/zinc/26/23/68/1279262368.db2.gz YXQCKMKPRPNPFS-MRXNPFEDSA-N 1 3 372.477 0.783 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028389 1279263863 /nfs/dbraw/zinc/26/38/63/1279263863.db2.gz UINDWDXWHSFNEW-GFCCVEGCSA-N 1 3 358.450 0.204 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028389 1279263875 /nfs/dbraw/zinc/26/38/75/1279263875.db2.gz UINDWDXWHSFNEW-GFCCVEGCSA-N 1 3 358.450 0.204 20 0 FCADHO Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038166 1279275105 /nfs/dbraw/zinc/27/51/05/1279275105.db2.gz FTJHFZKVLAEBNJ-FPMFFAJLSA-N 1 3 370.461 0.393 20 0 FCADHO Cc1cc(N[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581038166 1279275109 /nfs/dbraw/zinc/27/51/09/1279275109.db2.gz FTJHFZKVLAEBNJ-FPMFFAJLSA-N 1 3 370.461 0.393 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NCC3CCC3)CCC2)CC[N@@H+]1C ZINC001717151391 1287409255 /nfs/dbraw/zinc/40/92/55/1287409255.db2.gz MBMNXQAKHAFGEE-GDBMZVCRSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NCC3CCC3)CCC2)CC[N@H+]1C ZINC001717151391 1287409264 /nfs/dbraw/zinc/40/92/64/1287409264.db2.gz MBMNXQAKHAFGEE-GDBMZVCRSA-N 1 3 350.507 0.871 20 0 FCADHO C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071153 1284131084 /nfs/dbraw/zinc/13/10/84/1284131084.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071153 1284131089 /nfs/dbraw/zinc/13/10/89/1284131089.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071153 1284131093 /nfs/dbraw/zinc/13/10/93/1284131093.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071153 1284131099 /nfs/dbraw/zinc/13/10/99/1284131099.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071153 1284131102 /nfs/dbraw/zinc/13/11/02/1284131102.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071153 1284131107 /nfs/dbraw/zinc/13/11/07/1284131107.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071153 1284131113 /nfs/dbraw/zinc/13/11/13/1284131113.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071153 1284131118 /nfs/dbraw/zinc/13/11/18/1284131118.db2.gz OTXGUYMHHGJDIH-INIZCTEOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591176538 1284268429 /nfs/dbraw/zinc/26/84/29/1284268429.db2.gz QMTAGNBTQACVSO-ZDUSSCGKSA-N 1 3 361.425 0.553 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591176538 1284268440 /nfs/dbraw/zinc/26/84/40/1284268440.db2.gz QMTAGNBTQACVSO-ZDUSSCGKSA-N 1 3 361.425 0.553 20 0 FCADHO O[C@@H](COc1ccccc1-c1nnn[n-]1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001593512338 1286189938 /nfs/dbraw/zinc/18/99/38/1286189938.db2.gz UVJYHFMWUWQQRH-HZPDHXFCSA-N 1 3 372.473 0.928 20 0 FCADHO O[C@@H](COc1ccccc1-c1nn[n-]n1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001593512338 1286189943 /nfs/dbraw/zinc/18/99/43/1286189943.db2.gz UVJYHFMWUWQQRH-HZPDHXFCSA-N 1 3 372.473 0.928 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1O ZINC001735945025 1289067106 /nfs/dbraw/zinc/06/71/06/1289067106.db2.gz JLJFNZPISFSVGZ-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1O ZINC001735945025 1289067113 /nfs/dbraw/zinc/06/71/13/1289067113.db2.gz JLJFNZPISFSVGZ-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO COc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1-c1nnn[n-]1 ZINC001609344208 1289111195 /nfs/dbraw/zinc/11/11/95/1289111195.db2.gz DMZNKPCLZSBCEL-UHFFFAOYSA-N 1 3 359.478 0.991 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2O)CCC1 ZINC001719281895 1288017219 /nfs/dbraw/zinc/01/72/19/1288017219.db2.gz IUINGAXASHSBMO-CABCVRRESA-N 1 3 368.522 0.137 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2O)CCC1 ZINC001719281895 1288017228 /nfs/dbraw/zinc/01/72/28/1288017228.db2.gz IUINGAXASHSBMO-CABCVRRESA-N 1 3 368.522 0.137 20 0 FCADHO Cc1noc(CCCN2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001699898546 1289573892 /nfs/dbraw/zinc/57/38/92/1289573892.db2.gz OLMPFRCYBFJXDT-SIIHOXLZSA-N 1 3 365.478 0.204 20 0 FCADHO Cc1noc(CCCN2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001699898546 1289573898 /nfs/dbraw/zinc/57/38/98/1289573898.db2.gz OLMPFRCYBFJXDT-SIIHOXLZSA-N 1 3 365.478 0.204 20 0 FCADHO CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001702189107 1289819632 /nfs/dbraw/zinc/81/96/32/1289819632.db2.gz WXHKMBXUDLGFEH-IAGOWNOFSA-N 1 3 366.506 0.035 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1)[NH+](CC)CC ZINC001739641757 1290284547 /nfs/dbraw/zinc/28/45/47/1290284547.db2.gz VJMVRBLNOVBCAQ-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO CC[NH+]1CCC(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001652176715 1291266426 /nfs/dbraw/zinc/26/64/26/1291266426.db2.gz IFWUQGVWAPAAAD-KRWDZBQOSA-N 1 3 359.536 0.845 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001689106536 1294619408 /nfs/dbraw/zinc/61/94/08/1294619408.db2.gz KFOSXPQDENMXQK-MCIONIFRSA-N 1 3 355.483 0.128 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001689106536 1294619418 /nfs/dbraw/zinc/61/94/18/1294619418.db2.gz KFOSXPQDENMXQK-MCIONIFRSA-N 1 3 355.483 0.128 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]CCCO)cc1 ZINC001689385839 1294775345 /nfs/dbraw/zinc/77/53/45/1294775345.db2.gz PZPGBMFBRBGQJE-ZWKOTPCHSA-N 1 3 358.442 0.927 20 0 FCADHO c1ncc(O[C@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164744159 720730756 /nfs/dbraw/zinc/73/07/56/720730756.db2.gz RIGJFWRLKIUBIS-GJZGRUSLSA-N 1 3 353.430 0.254 20 0 FCADHO Cn1cc(CN2CC[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@H]3C2)cn1 ZINC001164767969 721249392 /nfs/dbraw/zinc/24/93/92/721249392.db2.gz XIROHAVXLXSWKK-DOTOQJQBSA-N 1 3 353.474 0.855 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000751038146 836461438 /nfs/dbraw/zinc/46/14/38/836461438.db2.gz IYZHPGRUAHPHTC-HOTGVXAUSA-N 1 3 369.579 0.878 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000751038146 836461442 /nfs/dbraw/zinc/46/14/42/836461442.db2.gz IYZHPGRUAHPHTC-HOTGVXAUSA-N 1 3 369.579 0.878 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223671 836759332 /nfs/dbraw/zinc/75/93/32/836759332.db2.gz SMNIJRUQRZNIBN-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)C1 ZINC001063223671 836759338 /nfs/dbraw/zinc/75/93/38/836759338.db2.gz SMNIJRUQRZNIBN-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101478249 844201313 /nfs/dbraw/zinc/20/13/13/844201313.db2.gz FXGITZSWLMEWBF-QAPCUYQASA-N 1 3 351.495 0.132 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101478249 844201319 /nfs/dbraw/zinc/20/13/19/844201319.db2.gz FXGITZSWLMEWBF-QAPCUYQASA-N 1 3 351.495 0.132 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001101982955 844360629 /nfs/dbraw/zinc/36/06/29/844360629.db2.gz UMEDWDBRQNFDCI-KLHDSHLOSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)NC(C)(C)C)C[C@H]2C)CC[N@H+]1C ZINC001101982955 844360642 /nfs/dbraw/zinc/36/06/42/844360642.db2.gz UMEDWDBRQNFDCI-KLHDSHLOSA-N 1 3 352.523 0.925 20 0 FCADHO CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051808 844397309 /nfs/dbraw/zinc/39/73/09/844397309.db2.gz NXGAMXRGIIULLI-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051808 844397312 /nfs/dbraw/zinc/39/73/12/844397312.db2.gz NXGAMXRGIIULLI-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046339 844394256 /nfs/dbraw/zinc/39/42/56/844394256.db2.gz ZCMCCHFVDIBLNE-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046339 844394264 /nfs/dbraw/zinc/39/42/64/844394264.db2.gz ZCMCCHFVDIBLNE-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685257 839112518 /nfs/dbraw/zinc/11/25/18/839112518.db2.gz HESUKDWZAPYKAT-ARFHVFGLSA-N 1 3 353.507 0.695 20 0 FCADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685257 839112524 /nfs/dbraw/zinc/11/25/24/839112524.db2.gz HESUKDWZAPYKAT-ARFHVFGLSA-N 1 3 353.507 0.695 20 0 FCADHO CC[C@H](C(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21)N(C)C ZINC001079248289 839499829 /nfs/dbraw/zinc/49/98/29/839499829.db2.gz QOJDLLBWFRFHEE-GVDBMIGSSA-N 1 3 353.507 0.912 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275996 844456528 /nfs/dbraw/zinc/45/65/28/844456528.db2.gz BRHARXPLJKLQEW-LTIDMASMSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102275996 844456530 /nfs/dbraw/zinc/45/65/30/844456530.db2.gz BRHARXPLJKLQEW-LTIDMASMSA-N 1 3 352.523 0.879 20 0 FCADHO CCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312681 844464241 /nfs/dbraw/zinc/46/42/41/844464241.db2.gz ILCTWTJSDRVLNY-HLLBOEOZSA-N 1 3 352.523 0.927 20 0 FCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372808 844478597 /nfs/dbraw/zinc/47/85/97/844478597.db2.gz OQCCUOMYNNDXEI-LBTNJELSSA-N 1 3 356.486 0.629 20 0 FCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372808 844478608 /nfs/dbraw/zinc/47/86/08/844478608.db2.gz OQCCUOMYNNDXEI-LBTNJELSSA-N 1 3 356.486 0.629 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102473692 844514774 /nfs/dbraw/zinc/51/47/74/844514774.db2.gz LBLOOEFOBPIBTB-BRWVUGGUSA-N 1 3 351.495 0.270 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102473692 844514776 /nfs/dbraw/zinc/51/47/76/844514776.db2.gz LBLOOEFOBPIBTB-BRWVUGGUSA-N 1 3 351.495 0.270 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102495960 844529723 /nfs/dbraw/zinc/52/97/23/844529723.db2.gz VVEFNEGSTSGXTL-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102495960 844529729 /nfs/dbraw/zinc/52/97/29/844529729.db2.gz VVEFNEGSTSGXTL-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082557241 840463914 /nfs/dbraw/zinc/46/39/14/840463914.db2.gz UFSMGRQLLDWJCR-IXDOHACOSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001082557241 840463922 /nfs/dbraw/zinc/46/39/22/840463922.db2.gz UFSMGRQLLDWJCR-IXDOHACOSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082557497 840463968 /nfs/dbraw/zinc/46/39/68/840463968.db2.gz JBOOOSPOHLGGBI-OWCLPIDISA-N 1 3 371.547 0.732 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102524992 844553547 /nfs/dbraw/zinc/55/35/47/844553547.db2.gz HDIZIHRTFOAGDB-ZACQAIPSSA-N 1 3 359.511 0.036 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001102524992 844553550 /nfs/dbraw/zinc/55/35/50/844553550.db2.gz HDIZIHRTFOAGDB-ZACQAIPSSA-N 1 3 359.511 0.036 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525323 844552783 /nfs/dbraw/zinc/55/27/83/844552783.db2.gz WRNAYYZXGHCCSB-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102525323 844552787 /nfs/dbraw/zinc/55/27/87/844552787.db2.gz WRNAYYZXGHCCSB-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001082835421 840579402 /nfs/dbraw/zinc/57/94/02/840579402.db2.gz YWHCVWMTWSGCLW-NVXWUHKLSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)CC1 ZINC001083235111 840818599 /nfs/dbraw/zinc/81/85/99/840818599.db2.gz NKSCRIHJNNEMKJ-ZWKOTPCHSA-N 1 3 351.491 0.809 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 ZINC001083284154 840868163 /nfs/dbraw/zinc/86/81/63/840868163.db2.gz SYBTVUHNWIHAAQ-FGTMMUONSA-N 1 3 351.491 0.811 20 0 FCADHO C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599188 844589701 /nfs/dbraw/zinc/58/97/01/844589701.db2.gz SQHRPEXTBUWDMQ-BRWVUGGUSA-N 1 3 350.507 0.825 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954312 841600849 /nfs/dbraw/zinc/60/08/49/841600849.db2.gz UJBIGFYYBCINGF-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)C1 ZINC001083954312 841600852 /nfs/dbraw/zinc/60/08/52/841600852.db2.gz UJBIGFYYBCINGF-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085406212 842094190 /nfs/dbraw/zinc/09/41/90/842094190.db2.gz UQQVOSAVEIPKCK-RBSFLKMASA-N 1 3 368.503 0.712 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083831 842278248 /nfs/dbraw/zinc/27/82/48/842278248.db2.gz URLASKFBXKRMFN-SQWLQELKSA-N 1 3 367.519 0.976 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001088047302 842516179 /nfs/dbraw/zinc/51/61/79/842516179.db2.gz QUIUZPPHARUFGB-XFHVWQCUSA-N 1 3 351.466 0.990 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001088047302 842516181 /nfs/dbraw/zinc/51/61/81/842516181.db2.gz QUIUZPPHARUFGB-XFHVWQCUSA-N 1 3 351.466 0.990 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091783036 843093431 /nfs/dbraw/zinc/09/34/31/843093431.db2.gz RBSAKLXGSMRUKB-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091783036 843093438 /nfs/dbraw/zinc/09/34/38/843093438.db2.gz RBSAKLXGSMRUKB-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001276309634 861406029 /nfs/dbraw/zinc/40/60/29/861406029.db2.gz YYNILLVZKFQRHG-PKOBYXMFSA-N 1 3 350.507 0.731 20 0 FCADHO CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001276309634 861406034 /nfs/dbraw/zinc/40/60/34/861406034.db2.gz YYNILLVZKFQRHG-PKOBYXMFSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194209 843404367 /nfs/dbraw/zinc/40/43/67/843404367.db2.gz XOVQRUCJSXOKPB-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194209 843404377 /nfs/dbraw/zinc/40/43/77/843404377.db2.gz XOVQRUCJSXOKPB-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093277616 843420062 /nfs/dbraw/zinc/42/00/62/843420062.db2.gz JFDWXIYMFREWIS-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451296 843435283 /nfs/dbraw/zinc/43/52/83/843435283.db2.gz SNJDBZAYLIXDJI-RWQQGDIJSA-N 1 3 353.507 0.429 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)C2CCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451293 843435446 /nfs/dbraw/zinc/43/54/46/843435446.db2.gz SNJDBZAYLIXDJI-FPAYPSAMSA-N 1 3 353.507 0.429 20 0 FCADHO CC1CCN(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001099092846 843961173 /nfs/dbraw/zinc/96/11/73/843961173.db2.gz PGTRAFSGUJUEOU-LPHOPBHVSA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001099092846 843961177 /nfs/dbraw/zinc/96/11/77/843961177.db2.gz PGTRAFSGUJUEOU-LPHOPBHVSA-N 1 3 350.507 0.777 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099223185 843978816 /nfs/dbraw/zinc/97/88/16/843978816.db2.gz ICABBQOHLRPZSI-MGPQQGTHSA-N 1 3 359.396 0.956 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001099269440 843998790 /nfs/dbraw/zinc/99/87/90/843998790.db2.gz LDYPTIUKPNKXBA-JHJVBQTASA-N 1 3 362.400 0.597 20 0 FCADHO C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001103398170 844751435 /nfs/dbraw/zinc/75/14/35/844751435.db2.gz GFJMWBXAMDWTDV-BFYDXBDKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438473 844758772 /nfs/dbraw/zinc/75/87/72/844758772.db2.gz KWLHZKYUBFVKLS-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438473 844758775 /nfs/dbraw/zinc/75/87/75/844758775.db2.gz KWLHZKYUBFVKLS-OAGGEKHMSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291729 844891532 /nfs/dbraw/zinc/89/15/32/844891532.db2.gz SKMUHEGEBKXYGK-QGPMSJSTSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)CS(C)(=O)=O ZINC001104732082 844936024 /nfs/dbraw/zinc/93/60/24/844936024.db2.gz MSDDIFXLWYVPBO-RRFJBIMHSA-N 1 3 370.519 0.707 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104812765 844947358 /nfs/dbraw/zinc/94/73/58/844947358.db2.gz UPPYZABTSRVOOD-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104937782 844961371 /nfs/dbraw/zinc/96/13/71/844961371.db2.gz HIOIJPAHHFWBOZ-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105661882 845012655 /nfs/dbraw/zinc/01/26/55/845012655.db2.gz LMDOJOWKUNZSJB-ZAWLATJESA-N 1 3 355.523 0.677 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106249594 845143368 /nfs/dbraw/zinc/14/33/68/845143368.db2.gz LNFHTPKGFSLWIP-KBRIMQKVSA-N 1 3 350.507 0.537 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106309241 845152576 /nfs/dbraw/zinc/15/25/76/845152576.db2.gz RRMKIEQSMXNWKY-BZUAXINKSA-N 1 3 356.511 0.163 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCCC3)[C@H](C)C2)C1 ZINC001106666322 845218726 /nfs/dbraw/zinc/21/87/26/845218726.db2.gz KPCXJBWSCDQRPW-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001106673421 845221413 /nfs/dbraw/zinc/22/14/13/845221413.db2.gz YIKVDUJNGONVNA-HUUCEWRRSA-N 1 3 350.511 0.977 20 0 FCADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001106673421 845221424 /nfs/dbraw/zinc/22/14/24/845221424.db2.gz YIKVDUJNGONVNA-HUUCEWRRSA-N 1 3 350.511 0.977 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1)N(C)C ZINC001106674469 845223497 /nfs/dbraw/zinc/22/34/97/845223497.db2.gz WKMZFGXADJTEJY-UPJWGTAASA-N 1 3 368.507 0.501 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001106705216 845229128 /nfs/dbraw/zinc/22/91/28/845229128.db2.gz XCESDKXQSXZCKO-QLFBSQMISA-N 1 3 368.503 0.461 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106729451 845235957 /nfs/dbraw/zinc/23/59/57/845235957.db2.gz RDHXJVSFMQTBPC-KZNAEPCWSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(=O)N(C)C ZINC001106798605 845255728 /nfs/dbraw/zinc/25/57/28/845255728.db2.gz MOXZSIUAXANCGF-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC001106910662 845284839 /nfs/dbraw/zinc/28/48/39/845284839.db2.gz IWMLAEQNHSAHBB-HZPDHXFCSA-N 1 3 355.527 0.720 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106907943 845284960 /nfs/dbraw/zinc/28/49/60/845284960.db2.gz JRGCFWHSJGKXTF-ARFHVFGLSA-N 1 3 361.552 0.693 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001107036864 845317482 /nfs/dbraw/zinc/31/74/82/845317482.db2.gz TZLIEFUUJZYRAX-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436826 845373189 /nfs/dbraw/zinc/37/31/89/845373189.db2.gz SEJNIGAAZMXWLM-LZLYRXPVSA-N 1 3 353.507 0.839 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436826 845373194 /nfs/dbraw/zinc/37/31/94/845373194.db2.gz SEJNIGAAZMXWLM-LZLYRXPVSA-N 1 3 353.507 0.839 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1)[NH+](C)C ZINC001112118157 846397578 /nfs/dbraw/zinc/39/75/78/846397578.db2.gz WFEGEQBKPBWCSK-MCIONIFRSA-N 1 3 369.428 0.560 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C(F)(F)F ZINC001112143158 846415287 /nfs/dbraw/zinc/41/52/87/846415287.db2.gz LJBBNLMUJFGNTJ-FDYHWXHSSA-N 1 3 353.385 0.067 20 0 FCADHO COCCOCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159982 846425275 /nfs/dbraw/zinc/42/52/75/846425275.db2.gz KOGZLKSFQAEYAL-CHWSQXEVSA-N 1 3 355.401 0.580 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112190337 846450632 /nfs/dbraw/zinc/45/06/32/846450632.db2.gz WPWPVGLTWIJPPQ-CHWSQXEVSA-N 1 3 355.401 0.316 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112190337 846450635 /nfs/dbraw/zinc/45/06/35/846450635.db2.gz WPWPVGLTWIJPPQ-CHWSQXEVSA-N 1 3 355.401 0.316 20 0 FCADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001112192994 846451785 /nfs/dbraw/zinc/45/17/85/846451785.db2.gz FCLAXKPGILLARO-YNEHKIRRSA-N 1 3 365.396 0.068 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)N(C)C ZINC001112524334 846514308 /nfs/dbraw/zinc/51/43/08/846514308.db2.gz IZERDPDAVFIMRQ-SCTDSRPQSA-N 1 3 355.523 0.800 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112529723 846516601 /nfs/dbraw/zinc/51/66/01/846516601.db2.gz MCDQSZYHRNMNRN-GJYPPUQNSA-N 1 3 350.507 0.635 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001117985611 847242077 /nfs/dbraw/zinc/24/20/77/847242077.db2.gz RHOLWNRPUHSABX-AWEZNQCLSA-N 1 3 352.454 0.830 20 0 FCADHO O=S1(=O)CCC(O)(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001120488158 848219176 /nfs/dbraw/zinc/21/91/76/848219176.db2.gz SJYUCWPJMILCSA-UHFFFAOYSA-N 1 3 367.515 0.823 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2ccsc2)CC[N@@H+]1C ZINC001127643890 848730509 /nfs/dbraw/zinc/73/05/09/848730509.db2.gz QEAIFZDKGLATRS-UKRRQHHQSA-N 1 3 352.504 0.453 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCCc2ccsc2)CC[N@H+]1C ZINC001127643890 848730518 /nfs/dbraw/zinc/73/05/18/848730518.db2.gz QEAIFZDKGLATRS-UKRRQHHQSA-N 1 3 352.504 0.453 20 0 FCADHO Cc1ccsc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690171 848732849 /nfs/dbraw/zinc/73/28/49/848732849.db2.gz DZYYDMJGLCBSBS-ZIAGYGMSSA-N 1 3 352.504 0.719 20 0 FCADHO Cc1ccsc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690171 848732853 /nfs/dbraw/zinc/73/28/53/848732853.db2.gz DZYYDMJGLCBSBS-ZIAGYGMSSA-N 1 3 352.504 0.719 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007618 848929529 /nfs/dbraw/zinc/92/95/29/848929529.db2.gz NPPDOIFIVSLMNQ-OAGGEKHMSA-N 1 3 350.467 0.140 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047758 848936542 /nfs/dbraw/zinc/93/65/42/848936542.db2.gz RIQOOIYHHKUJPP-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130137429 848951451 /nfs/dbraw/zinc/95/14/51/848951451.db2.gz YZUXIXMLDRMYQK-OAGGEKHMSA-N 1 3 352.458 0.854 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[n-]1 ZINC001130220835 848978856 /nfs/dbraw/zinc/97/88/56/848978856.db2.gz NOZZUCVOUJJJIF-MJBXVCDLSA-N 1 3 352.483 0.633 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130221109 848979235 /nfs/dbraw/zinc/97/92/35/848979235.db2.gz VDWMAJLWIPWWET-YDHLFZDLSA-N 1 3 350.467 0.243 20 0 FCADHO COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001131516948 849117246 /nfs/dbraw/zinc/11/72/46/849117246.db2.gz BPBBCGUVCLSNAT-SQNIBIBYSA-N 1 3 353.507 0.959 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761364 862056594 /nfs/dbraw/zinc/05/65/94/862056594.db2.gz MKDRUPHCCCKWSX-LJQANCHMSA-N 1 3 352.523 0.462 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@H+]3CC(C)(C)O)C2=O)CC1 ZINC001277761364 862056608 /nfs/dbraw/zinc/05/66/08/862056608.db2.gz MKDRUPHCCCKWSX-LJQANCHMSA-N 1 3 352.523 0.462 20 0 FCADHO CC(C)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC001157309801 849962392 /nfs/dbraw/zinc/96/23/92/849962392.db2.gz LKFATKUNWIBATL-STQMWFEESA-N 1 3 358.483 0.041 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157629424 849985417 /nfs/dbraw/zinc/98/54/17/849985417.db2.gz LYGZPFDTHVQHOI-AWEZNQCLSA-N 1 3 366.487 0.079 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001157716151 849988205 /nfs/dbraw/zinc/98/82/05/849988205.db2.gz LKRHKEMBHCBBKU-HOTGVXAUSA-N 1 3 352.504 0.531 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)N(C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC001157721490 849989252 /nfs/dbraw/zinc/98/92/52/849989252.db2.gz YPTZZAAINLTAKT-HOTGVXAUSA-N 1 3 353.488 0.703 20 0 FCADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158027416 850014001 /nfs/dbraw/zinc/01/40/01/850014001.db2.gz FMFAKHHXTNIRMH-DOTOQJQBSA-N 1 3 369.531 0.536 20 0 FCADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158027420 850014061 /nfs/dbraw/zinc/01/40/61/850014061.db2.gz FMFAKHHXTNIRMH-RDJZCZTQSA-N 1 3 369.531 0.536 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192622 850023141 /nfs/dbraw/zinc/02/31/41/850023141.db2.gz BAOYQOJJEMLLJU-RFGFWPKPSA-N 1 3 358.433 0.547 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306684 850035912 /nfs/dbraw/zinc/03/59/12/850035912.db2.gz VXHULKHZGPYFER-XDQVBPFNSA-N 1 3 374.576 0.125 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)N(C)c2nccs2)CC[N@@H+]1C ZINC001158412587 850047989 /nfs/dbraw/zinc/04/79/89/850047989.db2.gz QCXBVBXQJYKKOL-UONOGXRCSA-N 1 3 367.519 0.932 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCC(=O)N(C)c2nccs2)CC[N@H+]1C ZINC001158412587 850047993 /nfs/dbraw/zinc/04/79/93/850047993.db2.gz QCXBVBXQJYKKOL-UONOGXRCSA-N 1 3 367.519 0.932 20 0 FCADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001158791717 850076245 /nfs/dbraw/zinc/07/62/45/850076245.db2.gz ZOHPHPSECSVWIA-KGLIPLIRSA-N 1 3 352.483 0.429 20 0 FCADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C3)n1 ZINC001159472035 850118251 /nfs/dbraw/zinc/11/82/51/850118251.db2.gz NKSQHTPKEORRGJ-JKIFEVAISA-N 1 3 351.451 0.164 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001159746563 850133365 /nfs/dbraw/zinc/13/33/65/850133365.db2.gz QNJGWKDNMOREIA-RWMBFGLXSA-N 1 3 354.501 0.474 20 0 FCADHO CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159832237 850139211 /nfs/dbraw/zinc/13/92/11/850139211.db2.gz BHDMWEKCIHTGAZ-RDBSUJKOSA-N 1 3 352.460 0.456 20 0 FCADHO CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159832235 850140064 /nfs/dbraw/zinc/14/00/64/850140064.db2.gz BHDMWEKCIHTGAZ-IHRRRGAJSA-N 1 3 352.460 0.456 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506174 850178471 /nfs/dbraw/zinc/17/84/71/850178471.db2.gz JCWHEMPYLWPGLS-GFCCVEGCSA-N 1 3 351.838 0.309 20 0 FCADHO O=C(N1CC[C@H](S(=O)(=O)c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160610630 850185630 /nfs/dbraw/zinc/18/56/30/850185630.db2.gz IHTQQVFGFARXAQ-UWWQBHOKSA-N 1 3 363.483 0.260 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](CCO)C1 ZINC001160610918 850185778 /nfs/dbraw/zinc/18/57/78/850185778.db2.gz OOPPYLYQSPESDM-JYJNAYRXSA-N 1 3 354.495 0.055 20 0 FCADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001161157850 850236220 /nfs/dbraw/zinc/23/62/20/850236220.db2.gz MEEPTKCOXUFCME-GOSISDBHSA-N 1 3 351.422 0.752 20 0 FCADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CCOCc1ccccc1 ZINC001161157403 850236563 /nfs/dbraw/zinc/23/65/63/850236563.db2.gz CWQQYCYZDJMXRU-INIZCTEOSA-N 1 3 351.447 0.661 20 0 FCADHO N=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC001167880604 850560373 /nfs/dbraw/zinc/56/03/73/850560373.db2.gz RAPUFTCMVVSIKC-UHFFFAOYSA-N 1 3 366.447 0.828 20 0 FCADHO C[C@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)CCO1 ZINC001168124550 850573581 /nfs/dbraw/zinc/57/35/81/850573581.db2.gz XGZDWSCGJJITSX-IRXDYDNUSA-N 1 3 352.523 0.724 20 0 FCADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)CCO1 ZINC001168124554 850573774 /nfs/dbraw/zinc/57/37/74/850573774.db2.gz XGZDWSCGJJITSX-SJORKVTESA-N 1 3 352.523 0.724 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001169133188 850607475 /nfs/dbraw/zinc/60/74/75/850607475.db2.gz CPZFORLUCRIWMB-FICVDOATSA-N 1 3 367.519 0.416 20 0 FCADHO COC(=O)[C@@H]1C[C@@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173570881 850727725 /nfs/dbraw/zinc/72/77/25/850727725.db2.gz RMTONFGJHMYOSY-DBHUPMKQSA-N 1 3 354.447 0.698 20 0 FCADHO CC(C)N1CCN(CC(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001180345632 851026411 /nfs/dbraw/zinc/02/64/11/851026411.db2.gz QVKZUUHYBWKFNX-ZWKOTPCHSA-N 1 3 351.539 0.249 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188205790 851658666 /nfs/dbraw/zinc/65/86/66/851658666.db2.gz XSXBYTNIDVUBKL-RCCFBDPRSA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188205790 851658668 /nfs/dbraw/zinc/65/86/68/851658668.db2.gz XSXBYTNIDVUBKL-RCCFBDPRSA-N 1 3 353.507 0.791 20 0 FCADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001189870597 851833288 /nfs/dbraw/zinc/83/32/88/851833288.db2.gz AWURAIWNJJXTML-JKSUJKDBSA-N 1 3 351.495 0.276 20 0 FCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001190371243 851899213 /nfs/dbraw/zinc/89/92/13/851899213.db2.gz RLVFNFNTSLZJNV-YESZJQIVSA-N 1 3 350.507 0.869 20 0 FCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001190371243 851899217 /nfs/dbraw/zinc/89/92/17/851899217.db2.gz RLVFNFNTSLZJNV-YESZJQIVSA-N 1 3 350.507 0.869 20 0 FCADHO C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289672 852573240 /nfs/dbraw/zinc/57/32/40/852573240.db2.gz LBNNTDMNKHXBMP-DJIMGWMZSA-N 1 3 350.463 0.230 20 0 FCADHO CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CCC1 ZINC001196206799 852914420 /nfs/dbraw/zinc/91/44/20/852914420.db2.gz HJCYAEMPEUUOBM-ZACQAIPSSA-N 1 3 355.523 0.941 20 0 FCADHO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CCC1 ZINC001196206799 852914425 /nfs/dbraw/zinc/91/44/25/852914425.db2.gz HJCYAEMPEUUOBM-ZACQAIPSSA-N 1 3 355.523 0.941 20 0 FCADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536135 853501528 /nfs/dbraw/zinc/50/15/28/853501528.db2.gz AGBJIVPRBXRZCL-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536135 853501532 /nfs/dbraw/zinc/50/15/32/853501532.db2.gz AGBJIVPRBXRZCL-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538386 853502577 /nfs/dbraw/zinc/50/25/77/853502577.db2.gz ZKQVOZVHJMQDIL-BZUAXINKSA-N 1 3 354.495 0.058 20 0 FCADHO CC(C)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538386 853502582 /nfs/dbraw/zinc/50/25/82/853502582.db2.gz ZKQVOZVHJMQDIL-BZUAXINKSA-N 1 3 354.495 0.058 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCC(=O)Nc3nncs3)CC2)CC[N@@H+]1C ZINC001200637149 853506293 /nfs/dbraw/zinc/50/62/93/853506293.db2.gz RYFHSOMPZYUFBD-DGCLKSJQSA-N 1 3 366.491 0.397 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCC(=O)Nc3nncs3)CC2)CC[N@H+]1C ZINC001200637149 853506298 /nfs/dbraw/zinc/50/62/98/853506298.db2.gz RYFHSOMPZYUFBD-DGCLKSJQSA-N 1 3 366.491 0.397 20 0 FCADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986389 853776990 /nfs/dbraw/zinc/77/69/90/853776990.db2.gz FHAPTMBKROBVBO-NVXWUHKLSA-N 1 3 351.495 0.920 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](C[C@@H]3CCCOC3)CC2)C1=O ZINC001207466150 853817644 /nfs/dbraw/zinc/81/76/44/853817644.db2.gz SPECCOXXIRGVRH-KRWDZBQOSA-N 1 3 352.523 0.583 20 0 FCADHO C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485851 853941234 /nfs/dbraw/zinc/94/12/34/853941234.db2.gz UJQQGZKXMCZXQF-BPQIPLTHSA-N 1 3 353.507 0.960 20 0 FCADHO CC[NH+]1CCC(CN2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)CC1 ZINC001208601303 853958585 /nfs/dbraw/zinc/95/85/85/853958585.db2.gz XTWGKVACJSHSDX-MSOLQXFVSA-N 1 3 353.507 0.914 20 0 FCADHO CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001210315172 854099461 /nfs/dbraw/zinc/09/94/61/854099461.db2.gz LCRXXXGPQHPNPK-NVXWUHKLSA-N 1 3 351.495 0.460 20 0 FCADHO CO[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342059 854581813 /nfs/dbraw/zinc/58/18/13/854581813.db2.gz FGQPGTYABPXQRR-BRWVUGGUSA-N 1 3 353.507 0.960 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)C1 ZINC001213342292 854582706 /nfs/dbraw/zinc/58/27/06/854582706.db2.gz QBDLEGPVHPWSNC-BHUNQDJPSA-N 1 3 353.507 0.959 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001214755260 855002845 /nfs/dbraw/zinc/00/28/45/855002845.db2.gz XZXJFDQSUTWOSD-FVQBIDKESA-N 1 3 356.486 0.724 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001214757383 855003519 /nfs/dbraw/zinc/00/35/19/855003519.db2.gz KWCDLETUJOXUNW-FVQBIDKESA-N 1 3 356.486 0.629 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214855647 855023160 /nfs/dbraw/zinc/02/31/60/855023160.db2.gz JUHSVXVVXJDNLX-QBIMZIAESA-N 1 3 350.507 0.679 20 0 FCADHO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214863900 855025741 /nfs/dbraw/zinc/02/57/41/855025741.db2.gz ZVAFQWQEYAVLRN-BPQIPLTHSA-N 1 3 355.523 0.941 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001214990280 855048815 /nfs/dbraw/zinc/04/88/15/855048815.db2.gz HYIBKFHNVZCPQQ-BZUAXINKSA-N 1 3 351.495 0.411 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001214996827 855049922 /nfs/dbraw/zinc/04/99/22/855049922.db2.gz DJEOPOXXDQKBCV-OWCLPIDISA-N 1 3 359.511 0.177 20 0 FCADHO CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056743 855059509 /nfs/dbraw/zinc/05/95/09/855059509.db2.gz FXPYDXIXTOKHPV-OWCLPIDISA-N 1 3 350.507 0.966 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184747 855078667 /nfs/dbraw/zinc/07/86/67/855078667.db2.gz RLDDWVBTQOQGFL-QCZOYZIOSA-N 1 3 351.491 0.713 20 0 FCADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCC(=O)NC1CC1 ZINC001215234083 855087485 /nfs/dbraw/zinc/08/74/85/855087485.db2.gz BOZCGVVMMXXGKJ-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415575 855112119 /nfs/dbraw/zinc/11/21/19/855112119.db2.gz AVJDJAFDOUWEHG-OWCLPIDISA-N 1 3 352.523 0.925 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)cc1=O ZINC001215423584 855113272 /nfs/dbraw/zinc/11/32/72/855113272.db2.gz PWBSJGXCDHGHPK-UKRRQHHQSA-N 1 3 351.447 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1ccc(S(C)(=O)=O)cc1 ZINC001215460883 855118028 /nfs/dbraw/zinc/11/80/28/855118028.db2.gz IOIBOGFKOCJXCJ-RHSMWYFYSA-N 1 3 367.515 0.978 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC3CC3)C2)C1 ZINC001215539911 855126217 /nfs/dbraw/zinc/12/62/17/855126217.db2.gz CIAPXGOSOFUHRL-BFYDXBDKSA-N 1 3 350.507 0.633 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599237 855131438 /nfs/dbraw/zinc/13/14/38/855131438.db2.gz WHOOYCQOQJCXKQ-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382963 855196875 /nfs/dbraw/zinc/19/68/75/855196875.db2.gz FSCFJXHPLDYVQH-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382963 855196882 /nfs/dbraw/zinc/19/68/82/855196882.db2.gz FSCFJXHPLDYVQH-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(C)(C)C ZINC001216410253 855200369 /nfs/dbraw/zinc/20/03/69/855200369.db2.gz WQJIQTQIGMYQPQ-RBSFLKMASA-N 1 3 350.507 0.822 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216511604 855209943 /nfs/dbraw/zinc/20/99/43/855209943.db2.gz WMLYKNUZGHYQAE-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001216752398 855231491 /nfs/dbraw/zinc/23/14/91/855231491.db2.gz NIUSSJXEKCZLAK-JHJVBQTASA-N 1 3 364.412 0.395 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001216752398 855231497 /nfs/dbraw/zinc/23/14/97/855231497.db2.gz NIUSSJXEKCZLAK-JHJVBQTASA-N 1 3 364.412 0.395 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC(=O)N1CCC1 ZINC001216773032 855237985 /nfs/dbraw/zinc/23/79/85/855237985.db2.gz WFFWEZZAVYDDMS-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216844946 855256498 /nfs/dbraw/zinc/25/64/98/855256498.db2.gz PXUAYHFQQQEWTG-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851563 855259600 /nfs/dbraw/zinc/25/96/00/855259600.db2.gz AEMUOTLQWNMRCD-UKRRQHHQSA-N 1 3 354.520 0.995 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216854443 855260858 /nfs/dbraw/zinc/26/08/58/855260858.db2.gz ZCWBWNXSUFNQJL-JHJVBQTASA-N 1 3 366.428 0.830 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217950325 855385206 /nfs/dbraw/zinc/38/52/06/855385206.db2.gz YROJHOFDACJRSV-VHSXEESVSA-N 1 3 356.398 0.230 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217976807 855388843 /nfs/dbraw/zinc/38/88/43/855388843.db2.gz LZVOBKLNNQICAD-NXEZZACHSA-N 1 3 356.398 0.230 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218471277 855428237 /nfs/dbraw/zinc/42/82/37/855428237.db2.gz FYGNLXKFWWQFCJ-GMTAPVOTSA-N 1 3 350.419 0.138 20 0 FCADHO O=C(Nc1[nH]nc2ncc(Br)cc21)[C@H]1C[NH2+]CC12CNC2 ZINC001218563364 855439697 /nfs/dbraw/zinc/43/96/97/855439697.db2.gz LJIDXPDKSIVGOF-SECBINFHSA-N 1 3 351.208 0.468 20 0 FCADHO COc1ccc(Br)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218656763 855459368 /nfs/dbraw/zinc/45/93/68/855459368.db2.gz MQXQSGBLPRXJMI-YMTOWFKASA-N 1 3 355.236 0.990 20 0 FCADHO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc(=O)o1 ZINC001218682870 855463790 /nfs/dbraw/zinc/46/37/90/855463790.db2.gz TYRMWCRVAKBHGE-KBPBESRZSA-N 1 3 350.419 0.334 20 0 FCADHO COCCCCCN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218964971 855503651 /nfs/dbraw/zinc/50/36/51/855503651.db2.gz BCNPRCJLFSRBJN-DLBZAZTESA-N 1 3 351.491 0.811 20 0 FCADHO CN1C[C@H](C(=O)N[C@@H]2CNCc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823328 855831593 /nfs/dbraw/zinc/83/15/93/855831593.db2.gz PFRWZJJPTRXCLQ-ZIAGYGMSSA-N 1 3 350.488 0.461 20 0 FCADHO CN[C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H](C)OC(C)(C)C ZINC001219834484 855837176 /nfs/dbraw/zinc/83/71/76/855837176.db2.gz QLQKWWGRAAQAGF-BSXFFOKHSA-N 1 3 357.495 0.289 20 0 FCADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc([C@@H]2CCCN2)n1 ZINC001219837856 855839259 /nfs/dbraw/zinc/83/92/59/855839259.db2.gz MKSZXFVDJGHBNN-IIYDPXPESA-N 1 3 366.487 0.693 20 0 FCADHO COc1ccc(Br)cc1CCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219912271 855876572 /nfs/dbraw/zinc/87/65/72/855876572.db2.gz XEWXTKCWUJSFDM-CYBMUJFWSA-N 1 3 368.275 0.925 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]2O)CCCC1 ZINC001220077889 855949145 /nfs/dbraw/zinc/94/91/45/855949145.db2.gz AHUFKNOGIUVNOQ-ZACQAIPSSA-N 1 3 353.507 0.839 20 0 FCADHO CN(C)Cc1nc(CSCCNC(=O)[C@@H]2C[NH2+]CC23CNC3)cs1 ZINC001220128558 855974193 /nfs/dbraw/zinc/97/41/93/855974193.db2.gz JLFQAMUQXQCFOB-ZDUSSCGKSA-N 1 3 369.560 0.363 20 0 FCADHO COc1cc(CNC(=O)[C@@H](N)CSCC[NH3+])ccc1OC1COC1 ZINC001220193953 856002761 /nfs/dbraw/zinc/00/27/61/856002761.db2.gz UWQSOISJJARFGE-ZDUSSCGKSA-N 1 3 355.460 0.108 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001220230555 856023757 /nfs/dbraw/zinc/02/37/57/856023757.db2.gz KEIGBFPBBBTSEL-IKGGRYGDSA-N 1 3 353.507 0.431 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755425 856282551 /nfs/dbraw/zinc/28/25/51/856282551.db2.gz OJRSIYAHVJVUIT-MCIONIFRSA-N 1 3 367.412 0.459 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755425 856282563 /nfs/dbraw/zinc/28/25/63/856282563.db2.gz OJRSIYAHVJVUIT-MCIONIFRSA-N 1 3 367.412 0.459 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926756 856378063 /nfs/dbraw/zinc/37/80/63/856378063.db2.gz YPNRFWFBUYLWLI-UPCLLVRISA-N 1 3 352.504 0.506 20 0 FCADHO COc1ccccc1Cn1cncc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220968907 856399740 /nfs/dbraw/zinc/39/97/40/856399740.db2.gz HYNQZZSHLZJSGU-HNNXBMFYSA-N 1 3 363.487 0.575 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073216 856448821 /nfs/dbraw/zinc/44/88/21/856448821.db2.gz LHTCZAFZNASGEM-FGTMMUONSA-N 1 3 353.507 0.839 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001221182164 856503137 /nfs/dbraw/zinc/50/31/37/856503137.db2.gz ZCYRFHFEERCTPO-LLVKDONJSA-N 1 3 360.384 0.647 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223847046 856946706 /nfs/dbraw/zinc/94/67/06/856946706.db2.gz XDIVMTFJDRNIDB-CVEARBPZSA-N 1 3 351.495 0.276 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223847046 856946710 /nfs/dbraw/zinc/94/67/10/856946710.db2.gz XDIVMTFJDRNIDB-CVEARBPZSA-N 1 3 351.495 0.276 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226296709 857096110 /nfs/dbraw/zinc/09/61/10/857096110.db2.gz NDRRKFWXRGKDMJ-BRWVUGGUSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001226766302 857124894 /nfs/dbraw/zinc/12/48/94/857124894.db2.gz LPCOGMRBRDMQIV-JHJVBQTASA-N 1 3 353.467 0.071 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001229215035 857258609 /nfs/dbraw/zinc/25/86/09/857258609.db2.gz UMRINLJFXFQAFH-HUUCEWRRSA-N 1 3 352.479 0.494 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC001229238640 857260102 /nfs/dbraw/zinc/26/01/02/857260102.db2.gz RUMTYVJOWSQUDM-HUUCEWRRSA-N 1 3 362.540 0.285 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229504181 857272970 /nfs/dbraw/zinc/27/29/70/857272970.db2.gz PKRWNGYAGYGBQC-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229504181 857272977 /nfs/dbraw/zinc/27/29/77/857272977.db2.gz PKRWNGYAGYGBQC-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC ZINC001229869003 857290258 /nfs/dbraw/zinc/29/02/58/857290258.db2.gz UDCABIWDCHUFIW-HUUCEWRRSA-N 1 3 362.540 0.285 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001229940055 857292743 /nfs/dbraw/zinc/29/27/43/857292743.db2.gz UMQNZTSYIFRXMQ-NWANDNLSSA-N 1 3 370.519 0.958 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230280283 857322394 /nfs/dbraw/zinc/32/23/94/857322394.db2.gz SVYUDOYTNYGHDW-HZPDHXFCSA-N 1 3 356.511 0.496 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001230274853 857322879 /nfs/dbraw/zinc/32/28/79/857322879.db2.gz PDRYXACFIYPMAV-HUUCEWRRSA-N 1 3 352.479 0.493 20 0 FCADHO COc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241882 857465184 /nfs/dbraw/zinc/46/51/84/857465184.db2.gz MPCXIKMQKXDFHY-ZDUSSCGKSA-N 1 3 357.451 0.987 20 0 FCADHO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238433660 857471930 /nfs/dbraw/zinc/47/19/30/857471930.db2.gz XOCUESLCGSOPCP-AWEZNQCLSA-N 1 3 363.524 0.745 20 0 FCADHO CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879057 857485803 /nfs/dbraw/zinc/48/58/03/857485803.db2.gz NSGLMUFQQLLVCV-UHFFFAOYSA-N 1 3 372.491 0.651 20 0 FCADHO CN(C)S(=O)(=O)N1CCC2(C1)CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001279501548 862920238 /nfs/dbraw/zinc/92/02/38/862920238.db2.gz IGSLRCAVFGVULQ-MRXNPFEDSA-N 1 3 358.552 0.923 20 0 FCADHO CN(C)S(=O)(=O)N1CCC2(C1)CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001279501548 862920246 /nfs/dbraw/zinc/92/02/46/862920246.db2.gz IGSLRCAVFGVULQ-MRXNPFEDSA-N 1 3 358.552 0.923 20 0 FCADHO CCOC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC[NH2+]CCCN ZINC001239253106 857525566 /nfs/dbraw/zinc/52/55/66/857525566.db2.gz NWALEHCULCPNNF-INIZCTEOSA-N 1 3 350.463 0.789 20 0 FCADHO CS(=O)(=O)N(Cc1ncn2c1CNCCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246685275 857589114 /nfs/dbraw/zinc/58/91/14/857589114.db2.gz CNKJJECKDNERHC-PBWFPOADSA-N 1 3 353.492 0.421 20 0 FCADHO CCOC(=O)[C@@H]1CC[C@H](N2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CN1 ZINC001246854799 857602956 /nfs/dbraw/zinc/60/29/56/857602956.db2.gz HJLSOTVZNSJZNI-LDDOYCOJSA-N 1 3 353.463 0.145 20 0 FCADHO COC(=O)[C@H](C)CN1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279518436 862933036 /nfs/dbraw/zinc/93/30/36/862933036.db2.gz VKVYEKWAZGPTBV-QAPCUYQASA-N 1 3 354.495 0.014 20 0 FCADHO C[NH+](C)CCOCc1ncn2c1CN(CC1(O)CCOCC1)CCC2 ZINC001252961075 857851738 /nfs/dbraw/zinc/85/17/38/857851738.db2.gz VZABQQJUZOIDNG-UHFFFAOYSA-N 1 3 352.479 0.709 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CNCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001253213937 857872983 /nfs/dbraw/zinc/87/29/83/857872983.db2.gz OIUBHRWSKFZMRE-SFHVURJKSA-N 1 3 354.539 0.756 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCc2c(ccc(=O)n2CCOC)C1 ZINC001253204038 857873315 /nfs/dbraw/zinc/87/33/15/857873315.db2.gz OTCOPNNEGYARFU-SJORKVTESA-N 1 3 351.491 0.644 20 0 FCADHO CCOC(=O)CN1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001254411161 857970976 /nfs/dbraw/zinc/97/09/76/857970976.db2.gz LLDQMKABDGWMGG-UHFFFAOYSA-N 1 3 352.523 0.727 20 0 FCADHO C[N@@H+]1CCC[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520406 857977393 /nfs/dbraw/zinc/97/73/93/857977393.db2.gz XKWCGSNIYSXJFC-XLAORIBOSA-N 1 3 351.491 0.666 20 0 FCADHO C[N@H+]1CCC[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520406 857977396 /nfs/dbraw/zinc/97/73/96/857977396.db2.gz XKWCGSNIYSXJFC-XLAORIBOSA-N 1 3 351.491 0.666 20 0 FCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](N1CCN(CC[NH3+])CC1)CCO2 ZINC001254809802 857987599 /nfs/dbraw/zinc/98/75/99/857987599.db2.gz NRQBOHADJJRBOL-HNNXBMFYSA-N 1 3 354.495 0.731 20 0 FCADHO CNC(=O)CO[C@H]1CO[C@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256075677 858051832 /nfs/dbraw/zinc/05/18/32/858051832.db2.gz AFVLWMGOIHVQRM-MJGOQNOKSA-N 1 3 351.491 0.999 20 0 FCADHO C[C@H](CC(=O)N1CCOCC1)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326071 858067977 /nfs/dbraw/zinc/06/79/77/858067977.db2.gz IMHZPKIFLICWRN-ZIAGYGMSSA-N 1 3 358.483 0.803 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001261524698 858579003 /nfs/dbraw/zinc/57/90/03/858579003.db2.gz HWBJCINFLZRSAB-UHFFFAOYSA-N 1 3 350.507 0.923 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261523197 858579234 /nfs/dbraw/zinc/57/92/34/858579234.db2.gz QEBJGELSPRVULI-BXWFABGCSA-N 1 3 350.507 0.955 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261635894 858616339 /nfs/dbraw/zinc/61/63/39/858616339.db2.gz SGSCJFLGMLTONL-BXWFABGCSA-N 1 3 350.507 0.810 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001270155068 859668673 /nfs/dbraw/zinc/66/86/73/859668673.db2.gz FENAVDGEOFVRQL-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CCC2(CCN(C(=O)CC[NH+]3CCCC3)CC2)C1=O ZINC001271061318 859891203 /nfs/dbraw/zinc/89/12/03/859891203.db2.gz LJCHIUZRZSSLPX-UHFFFAOYSA-N 1 3 350.507 0.875 20 0 FCADHO CN(C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001273192995 860406333 /nfs/dbraw/zinc/40/63/33/860406333.db2.gz VPZRKYQYYIFOIS-JTDSTZFVSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)CCCC[NH+](C)C)C[C@@]2(F)C1=O ZINC001273547006 860527760 /nfs/dbraw/zinc/52/77/60/860527760.db2.gz DWNDJAXXZCBGER-IAGOWNOFSA-N 1 3 360.449 0.381 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273836636 860614120 /nfs/dbraw/zinc/61/41/20/860614120.db2.gz YCLWYIYMGZSPHJ-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001273836636 860614123 /nfs/dbraw/zinc/61/41/23/860614123.db2.gz YCLWYIYMGZSPHJ-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)N(C)C ZINC001275222567 860992140 /nfs/dbraw/zinc/99/21/40/860992140.db2.gz FOJSWELOWUIXMX-MJGOQNOKSA-N 1 3 354.539 0.828 20 0 FCADHO CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2CC1CC[NH2+]CC1 ZINC001275736705 861180854 /nfs/dbraw/zinc/18/08/54/861180854.db2.gz GJNNJCJPJPUQFU-HZPDHXFCSA-N 1 3 357.520 0.486 20 0 FCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(=O)NCC(F)(F)F ZINC001312995310 867223851 /nfs/dbraw/zinc/22/38/51/867223851.db2.gz VGUGPJGRYVLPMO-NSHDSACASA-N 1 3 355.405 0.236 20 0 FCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(=O)NCC(F)(F)F ZINC001312995310 867223867 /nfs/dbraw/zinc/22/38/67/867223867.db2.gz VGUGPJGRYVLPMO-NSHDSACASA-N 1 3 355.405 0.236 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001343434016 870423365 /nfs/dbraw/zinc/42/33/65/870423365.db2.gz LPLXVMBIYDGCTB-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001343434016 870423372 /nfs/dbraw/zinc/42/33/72/870423372.db2.gz LPLXVMBIYDGCTB-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001343434020 870423444 /nfs/dbraw/zinc/42/34/44/870423444.db2.gz LPLXVMBIYDGCTB-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001343434020 870423449 /nfs/dbraw/zinc/42/34/49/870423449.db2.gz LPLXVMBIYDGCTB-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC001328768242 871614961 /nfs/dbraw/zinc/61/49/61/871614961.db2.gz JEIDIBCBUAVTRW-CQSZACIVSA-N 1 3 352.454 0.830 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001346696766 871962006 /nfs/dbraw/zinc/96/20/06/871962006.db2.gz UYPKVDAYROPFRB-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001346696766 871962024 /nfs/dbraw/zinc/96/20/24/871962024.db2.gz UYPKVDAYROPFRB-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001330006950 872416028 /nfs/dbraw/zinc/41/60/28/872416028.db2.gz CVRLSMILIIUXAI-BRWVUGGUSA-N 1 3 353.532 0.871 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331119788 872968119 /nfs/dbraw/zinc/96/81/19/872968119.db2.gz PXTJMZKWAJSQCG-OVYGPGRDSA-N 1 3 350.507 0.870 20 0 FCADHO N[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)C1CCCCC1 ZINC001332393723 873492382 /nfs/dbraw/zinc/49/23/82/873492382.db2.gz KQXXELCDSRCSIZ-OAHLLOKOSA-N 1 3 354.476 0.770 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001332517417 873540753 /nfs/dbraw/zinc/54/07/53/873540753.db2.gz QSTZTVBZZZAXNU-ZWKOTPCHSA-N 1 3 352.523 0.759 20 0 FCADHO C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918589 948853605 /nfs/dbraw/zinc/85/36/05/948853605.db2.gz OGODGQQMNSABIA-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574918589 948853624 /nfs/dbraw/zinc/85/36/24/948853624.db2.gz OGODGQQMNSABIA-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574721090 949808427 /nfs/dbraw/zinc/80/84/27/949808427.db2.gz IZXSOZGGTFXFSU-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574721090 949808450 /nfs/dbraw/zinc/80/84/50/949808450.db2.gz IZXSOZGGTFXFSU-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079018 951687588 /nfs/dbraw/zinc/68/75/88/951687588.db2.gz ONVPYZVTYVLQDQ-GFCCVEGCSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079018 951687592 /nfs/dbraw/zinc/68/75/92/951687592.db2.gz ONVPYZVTYVLQDQ-GFCCVEGCSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575099592 951837067 /nfs/dbraw/zinc/83/70/67/951837067.db2.gz NLNRGDOTBUCDOB-WCQYABFASA-N 1 3 363.491 0.959 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575099592 951837070 /nfs/dbraw/zinc/83/70/70/951837070.db2.gz NLNRGDOTBUCDOB-WCQYABFASA-N 1 3 363.491 0.959 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000410729800 529831877 /nfs/dbraw/zinc/83/18/77/529831877.db2.gz KHZIXHMQUIJQFK-KURKYZTESA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000331697266 215036940 /nfs/dbraw/zinc/03/69/40/215036940.db2.gz WXFZZZLGLCRJFS-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000331697266 215036944 /nfs/dbraw/zinc/03/69/44/215036944.db2.gz WXFZZZLGLCRJFS-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000331863410 215058640 /nfs/dbraw/zinc/05/86/40/215058640.db2.gz KSKJBVBXXDXDTI-IKGGRYGDSA-N 1 3 366.506 0.033 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@H]21 ZINC000332059758 215084039 /nfs/dbraw/zinc/08/40/39/215084039.db2.gz XGBSKAMWKMQWRX-BRWVUGGUSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CCCCC3)CC[C@H]21 ZINC000332059758 215084042 /nfs/dbraw/zinc/08/40/42/215084042.db2.gz XGBSKAMWKMQWRX-BRWVUGGUSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000332128375 215098503 /nfs/dbraw/zinc/09/85/03/215098503.db2.gz HNFHLJHXWPEKOF-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000332128375 215098504 /nfs/dbraw/zinc/09/85/04/215098504.db2.gz HNFHLJHXWPEKOF-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332268033 215119937 /nfs/dbraw/zinc/11/99/37/215119937.db2.gz GAMVFWLADYKAHE-HLLBOEOZSA-N 1 3 366.506 0.284 20 0 FCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)CC1 ZINC000333530394 215293557 /nfs/dbraw/zinc/29/35/57/215293557.db2.gz MCUPKPXXESSNGR-KRWDZBQOSA-N 1 3 353.511 0.175 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCSC1 ZINC000333591624 215299551 /nfs/dbraw/zinc/29/95/51/215299551.db2.gz PDDBOMHHDRLAQS-LZWOXQAQSA-N 1 3 352.508 0.294 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333882538 215327456 /nfs/dbraw/zinc/32/74/56/215327456.db2.gz WMPXLXOZVPZMDW-NUJGCVRESA-N 1 3 365.522 0.757 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CC1=O ZINC000364192837 215646082 /nfs/dbraw/zinc/64/60/82/215646082.db2.gz MEDYKQFZJHDMQT-DJIMGWMZSA-N 1 3 362.449 0.489 20 0 FCADHO C[C@@H]1CCCCN1CCCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000367649657 216145633 /nfs/dbraw/zinc/14/56/33/216145633.db2.gz VWWWXASRMAZYEC-OAHLLOKOSA-N 1 3 359.536 0.924 20 0 FCADHO C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367654268 216147488 /nfs/dbraw/zinc/14/74/88/216147488.db2.gz URNGGSFULFSSLP-HUUCEWRRSA-N 1 3 359.536 0.637 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)CC1=O ZINC000246595645 209393438 /nfs/dbraw/zinc/39/34/38/209393438.db2.gz FYTGTZPSCUDIES-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)CC1=O ZINC000246595645 209393443 /nfs/dbraw/zinc/39/34/43/209393443.db2.gz FYTGTZPSCUDIES-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO [NH3+]CCc1nc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000194834141 209330522 /nfs/dbraw/zinc/33/05/22/209330522.db2.gz JTCVMWDKJVFZOT-UHFFFAOYSA-N 1 3 351.476 0.025 20 0 FCADHO CN(C(=O)NCCCN1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368360066 216237416 /nfs/dbraw/zinc/23/74/16/216237416.db2.gz GNHYCUPYCQMQCC-SFHVURJKSA-N 1 3 367.538 0.519 20 0 FCADHO CCOc1cccc(N2CCN(C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414695299 245312413 /nfs/dbraw/zinc/31/24/13/245312413.db2.gz FGWIGQQHAHRALZ-INIZCTEOSA-N 1 3 361.490 0.800 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414713101 245314742 /nfs/dbraw/zinc/31/47/42/245314742.db2.gz VQXIJZLQHDPXQU-CQSZACIVSA-N 1 3 360.458 0.955 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414713101 245314747 /nfs/dbraw/zinc/31/47/47/245314747.db2.gz VQXIJZLQHDPXQU-CQSZACIVSA-N 1 3 360.458 0.955 20 0 FCADHO C[C@@H]1C[C@@H](CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742666 245318321 /nfs/dbraw/zinc/31/83/21/245318321.db2.gz NSVXPKYKYNSGKZ-SJORKVTESA-N 1 3 360.506 0.823 20 0 FCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000414765381 245321767 /nfs/dbraw/zinc/32/17/67/245321767.db2.gz BXURIDCFAZMNST-KRWDZBQOSA-N 1 3 362.474 0.914 20 0 FCADHO [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)cc2C1 ZINC000415119084 245349926 /nfs/dbraw/zinc/34/99/26/245349926.db2.gz YQINYUKORPQDNL-DOTOQJQBSA-N 1 3 371.485 0.923 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CN1C1CC1 ZINC000414946381 245338805 /nfs/dbraw/zinc/33/88/05/245338805.db2.gz TXEYGIQUYKHGDN-SWLSCSKDSA-N 1 3 358.442 0.849 20 0 FCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000415258474 245371233 /nfs/dbraw/zinc/37/12/33/245371233.db2.gz SCGZDPASEVQBAL-QGZVFWFLSA-N 1 3 362.474 0.698 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1=O ZINC000374398669 217125265 /nfs/dbraw/zinc/12/52/65/217125265.db2.gz KNMVFWMISZBUJO-QBPKDAKJSA-N 1 3 366.506 0.107 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000415901198 245523474 /nfs/dbraw/zinc/52/34/74/245523474.db2.gz WZHDVESFVWMAEN-CVEARBPZSA-N 1 3 374.485 0.942 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807858 245834240 /nfs/dbraw/zinc/83/42/40/245834240.db2.gz QIFDLEMRMRMOIQ-UONOGXRCSA-N 1 3 354.495 0.454 20 0 FCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419126195 246001226 /nfs/dbraw/zinc/00/12/26/246001226.db2.gz VSFSVKNJUFOJKR-QLFBSQMISA-N 1 3 354.495 0.596 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCCNCc2cccnc2)C1 ZINC000419130072 246004137 /nfs/dbraw/zinc/00/41/37/246004137.db2.gz BZUWQMWMRKUBBB-IRXDYDNUSA-N 1 3 361.490 0.667 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419130453 246004596 /nfs/dbraw/zinc/00/45/96/246004596.db2.gz BDNHJHXAOQCTSS-AWEZNQCLSA-N 1 3 352.504 0.802 20 0 FCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161600 246026031 /nfs/dbraw/zinc/02/60/31/246026031.db2.gz DNICLTMXBJDUDG-MSOLQXFVSA-N 1 3 374.485 0.343 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000419153759 246019774 /nfs/dbraw/zinc/01/97/74/246019774.db2.gz QGCNDZUGUSMCRD-ZBFHGGJFSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000419153756 246020082 /nfs/dbraw/zinc/02/00/82/246020082.db2.gz QGCNDZUGUSMCRD-GDBMZVCRSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419158812 246023233 /nfs/dbraw/zinc/02/32/33/246023233.db2.gz YIZOERTWGDQOKX-UONOGXRCSA-N 1 3 352.504 0.930 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419158027 246025278 /nfs/dbraw/zinc/02/52/78/246025278.db2.gz XEKWCAYUWWMDMY-KBPBESRZSA-N 1 3 352.504 0.882 20 0 FCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419146836 246015606 /nfs/dbraw/zinc/01/56/06/246015606.db2.gz IQWJVHYNMRMQSS-UONOGXRCSA-N 1 3 350.488 0.554 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419168347 246030144 /nfs/dbraw/zinc/03/01/44/246030144.db2.gz RRFGVVZZACPOQZ-QGZVFWFLSA-N 1 3 362.474 0.119 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419173333 246032861 /nfs/dbraw/zinc/03/28/61/246032861.db2.gz SIXGTELMVYRWIU-BZUAXINKSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000419196450 246046584 /nfs/dbraw/zinc/04/65/84/246046584.db2.gz BAUMBNBGODEFPL-GOEBONIOSA-N 1 3 362.474 0.439 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419183564 246039661 /nfs/dbraw/zinc/03/96/61/246039661.db2.gz DPLBRBYTQSBJEY-UHFFFAOYSA-N 1 3 360.502 0.926 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419192084 246044805 /nfs/dbraw/zinc/04/48/05/246044805.db2.gz OTSDQWFQYNLNOS-SFHVURJKSA-N 1 3 358.486 0.929 20 0 FCADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227200 246065061 /nfs/dbraw/zinc/06/50/61/246065061.db2.gz JYAJEOPLKWAQQZ-IAGOWNOFSA-N 1 3 350.507 0.955 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000419229039 246066561 /nfs/dbraw/zinc/06/65/61/246066561.db2.gz NKGITDKDSVNDPQ-BQFCYCMXSA-N 1 3 360.502 0.985 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000419197176 246047161 /nfs/dbraw/zinc/04/71/61/246047161.db2.gz XTKJUZHMSBMZPO-CRAIPNDOSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419199605 246048644 /nfs/dbraw/zinc/04/86/44/246048644.db2.gz DTWRNWHQVMGWFS-GOEBONIOSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419229099 246067081 /nfs/dbraw/zinc/06/70/81/246067081.db2.gz NNWHFQZIXBZGQO-NXHRZFHOSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419229099 246067085 /nfs/dbraw/zinc/06/70/85/246067085.db2.gz NNWHFQZIXBZGQO-NXHRZFHOSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000419235890 246071617 /nfs/dbraw/zinc/07/16/17/246071617.db2.gz ZPSYRZDDMUCYCI-CYGHRXIMSA-N 1 3 358.486 0.819 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCC1 ZINC000419241855 246073243 /nfs/dbraw/zinc/07/32/43/246073243.db2.gz QQBYGBPLLZKHNB-JKSUJKDBSA-N 1 3 362.449 0.679 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419340332 246102652 /nfs/dbraw/zinc/10/26/52/246102652.db2.gz WMIZQHQLWDZTDH-QRVDHSFSSA-N 1 3 374.460 0.678 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373348 246123008 /nfs/dbraw/zinc/12/30/08/246123008.db2.gz MQJVOBJGWVJRIO-YOEHRIQHSA-N 1 3 358.486 0.445 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCO1 ZINC000419417024 246150420 /nfs/dbraw/zinc/15/04/20/246150420.db2.gz HPROIHAXEHDVIT-ZWKOTPCHSA-N 1 3 374.485 0.516 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400999 246134952 /nfs/dbraw/zinc/13/49/52/246134952.db2.gz ABPAGAKGEPRDDG-QXSJWSMHSA-N 1 3 368.522 0.700 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419400999 246134956 /nfs/dbraw/zinc/13/49/56/246134956.db2.gz ABPAGAKGEPRDDG-QXSJWSMHSA-N 1 3 368.522 0.700 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403878 246137983 /nfs/dbraw/zinc/13/79/83/246137983.db2.gz SAOVTMXHIKTXKA-SZMVWBNQSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403878 246137987 /nfs/dbraw/zinc/13/79/87/246137987.db2.gz SAOVTMXHIKTXKA-SZMVWBNQSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419410600 246143889 /nfs/dbraw/zinc/14/38/89/246143889.db2.gz ASNDXCSAZRWGIP-OAHLLOKOSA-N 1 3 354.495 0.333 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419428468 246158700 /nfs/dbraw/zinc/15/87/00/246158700.db2.gz STYRJFRKHAQPKA-RDJZCZTQSA-N 1 3 350.507 0.968 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCCO1 ZINC000419428624 246160351 /nfs/dbraw/zinc/16/03/51/246160351.db2.gz TZWQWZONGTXQOO-SFHVURJKSA-N 1 3 374.485 0.127 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419418562 246151750 /nfs/dbraw/zinc/15/17/50/246151750.db2.gz IHNLIBIEPQAVRR-APWZRJJASA-N 1 3 372.513 0.994 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCSC1 ZINC000419592904 246211002 /nfs/dbraw/zinc/21/10/02/246211002.db2.gz XLBPSKXZORIYGJ-GOSISDBHSA-N 1 3 370.563 0.969 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H](CN)C1 ZINC000419659792 246232951 /nfs/dbraw/zinc/23/29/51/246232951.db2.gz AWQTUOJEAIGLNB-HZPDHXFCSA-N 1 3 356.511 0.576 20 0 FCADHO NC1(CNC(=O)C(=O)NC[C@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000419722171 246269560 /nfs/dbraw/zinc/26/95/60/246269560.db2.gz LLOFWFRJXMSIRV-QGZVFWFLSA-N 1 3 374.485 0.391 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000419665139 246236869 /nfs/dbraw/zinc/23/68/69/246236869.db2.gz SVYCWZLLDVUMMC-BPQIPLTHSA-N 1 3 374.485 0.342 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702301 246259575 /nfs/dbraw/zinc/25/95/75/246259575.db2.gz AVGCBLGZMVMOAW-SOUVJXGZSA-N 1 3 354.495 0.596 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CCCC2)CC1 ZINC000419750886 246281520 /nfs/dbraw/zinc/28/15/20/246281520.db2.gz JLNVPCRYVMAUDW-INIZCTEOSA-N 1 3 368.522 0.626 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419769854 246290815 /nfs/dbraw/zinc/29/08/15/246290815.db2.gz WGOPUQOLCBRWGH-ZWKOTPCHSA-N 1 3 374.485 0.199 20 0 FCADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419727499 246272105 /nfs/dbraw/zinc/27/21/05/246272105.db2.gz LNQQVUFHRATBHL-YJBOKZPZSA-N 1 3 374.485 0.514 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419871394 246338888 /nfs/dbraw/zinc/33/88/88/246338888.db2.gz SSQUOCWNXXGKOG-GOSISDBHSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419856456 246326857 /nfs/dbraw/zinc/32/68/57/246326857.db2.gz FCCUNLJCYUFSCQ-MRXNPFEDSA-N 1 3 368.428 0.709 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419870268 246338290 /nfs/dbraw/zinc/33/82/90/246338290.db2.gz WVWPZYLEWJYASG-CQSZACIVSA-N 1 3 352.504 0.754 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419926930 246372233 /nfs/dbraw/zinc/37/22/33/246372233.db2.gz QMFWIULMADGMNC-UHFFFAOYSA-N 1 3 354.401 0.191 20 0 FCADHO Cc1nc(N2CCN(C(=O)C(=O)NCC3CCC[NH2+]3)CC2)sc1C ZINC000419883821 246350136 /nfs/dbraw/zinc/35/01/36/246350136.db2.gz DXBALKYAZZUQRX-CYBMUJFWSA-N 1 3 351.476 0.277 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000419947910 246384237 /nfs/dbraw/zinc/38/42/37/246384237.db2.gz YCDDIELAFGFARX-OAHLLOKOSA-N 1 3 361.490 0.858 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419973776 246397563 /nfs/dbraw/zinc/39/75/63/246397563.db2.gz ILGVNPQYFMGJLG-SJORKVTESA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423169462 246970868 /nfs/dbraw/zinc/97/08/68/246970868.db2.gz VWYMUPUHPLKPQA-LJQANCHMSA-N 1 3 364.465 0.913 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000423569414 247057213 /nfs/dbraw/zinc/05/72/13/247057213.db2.gz FUMFVVBWDBATMI-MRXNPFEDSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423746792 247138041 /nfs/dbraw/zinc/13/80/41/247138041.db2.gz PPERUYUTSZERGO-QGZVFWFLSA-N 1 3 367.538 0.071 20 0 FCADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423746792 247138044 /nfs/dbraw/zinc/13/80/44/247138044.db2.gz PPERUYUTSZERGO-QGZVFWFLSA-N 1 3 367.538 0.071 20 0 FCADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423746792 247138048 /nfs/dbraw/zinc/13/80/48/247138048.db2.gz PPERUYUTSZERGO-QGZVFWFLSA-N 1 3 367.538 0.071 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@H]1CN ZINC000423716522 247123073 /nfs/dbraw/zinc/12/30/73/247123073.db2.gz AAUWWCHULNWFNF-PVAVHDDUSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423726651 247128707 /nfs/dbraw/zinc/12/87/07/247128707.db2.gz UGQNANHFXMRNJP-SOUVJXGZSA-N 1 3 354.495 0.140 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423734416 247132086 /nfs/dbraw/zinc/13/20/86/247132086.db2.gz QXWNHLWDLWSCLA-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424536818 247254253 /nfs/dbraw/zinc/25/42/53/247254253.db2.gz BOFWFYDJIZWSSA-RCCFBDPRSA-N 1 3 356.470 0.573 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000440236657 248164339 /nfs/dbraw/zinc/16/43/39/248164339.db2.gz FRYLJPIKGOGDPJ-UHFFFAOYSA-N 1 3 355.527 0.911 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCO1 ZINC000453708035 249357558 /nfs/dbraw/zinc/35/75/58/249357558.db2.gz BQKLVTAEWZXNSQ-SJLPKXTDSA-N 1 3 374.485 0.963 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471651746 250113964 /nfs/dbraw/zinc/11/39/64/250113964.db2.gz AHXMHYMUKJKXOT-HDICACEKSA-N 1 3 369.554 0.765 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471651746 250113968 /nfs/dbraw/zinc/11/39/68/250113968.db2.gz AHXMHYMUKJKXOT-HDICACEKSA-N 1 3 369.554 0.765 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)CN(C)C(C)C)c1cnn(C)c1 ZINC000269868094 211103414 /nfs/dbraw/zinc/10/34/14/211103414.db2.gz XZFMKHBSUHJTKE-INIZCTEOSA-N 1 3 366.510 0.374 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000269868094 211103419 /nfs/dbraw/zinc/10/34/19/211103419.db2.gz XZFMKHBSUHJTKE-INIZCTEOSA-N 1 3 366.510 0.374 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000269868094 211103424 /nfs/dbraw/zinc/10/34/24/211103424.db2.gz XZFMKHBSUHJTKE-INIZCTEOSA-N 1 3 366.510 0.374 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000269868094 211103428 /nfs/dbraw/zinc/10/34/28/211103428.db2.gz XZFMKHBSUHJTKE-INIZCTEOSA-N 1 3 366.510 0.374 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000269868094 211103431 /nfs/dbraw/zinc/10/34/31/211103431.db2.gz XZFMKHBSUHJTKE-INIZCTEOSA-N 1 3 366.510 0.374 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930869 250297965 /nfs/dbraw/zinc/29/79/65/250297965.db2.gz IQRVRRKWEUAOKX-OWCLPIDISA-N 1 3 356.511 0.163 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000480943513 250298680 /nfs/dbraw/zinc/29/86/80/250298680.db2.gz XSTPXJRPUNDFSO-YESZJQIVSA-N 1 3 370.538 0.506 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481858536 250368638 /nfs/dbraw/zinc/36/86/38/250368638.db2.gz VQWDNIDUNQYJMX-CVEARBPZSA-N 1 3 356.511 0.260 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000481858536 250368642 /nfs/dbraw/zinc/36/86/42/250368642.db2.gz VQWDNIDUNQYJMX-CVEARBPZSA-N 1 3 356.511 0.260 20 0 FCADHO CS[C@@H](CO)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119871840 208370748 /nfs/dbraw/zinc/37/07/48/208370748.db2.gz XWZXDJHRLRMANV-CJNGLKHVSA-N 1 3 358.552 0.957 20 0 FCADHO O=C(C[C@@H]1CNCCO1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168097878 208862501 /nfs/dbraw/zinc/86/25/01/208862501.db2.gz DFQNYYFEWNXYNU-MOPGFXCFSA-N 1 3 361.486 0.927 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000177381638 209023272 /nfs/dbraw/zinc/02/32/72/209023272.db2.gz YSBPCLASPJMZHG-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000410433134 230078014 /nfs/dbraw/zinc/07/80/14/230078014.db2.gz KZKSSHSVCPVOTI-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000410433134 230078016 /nfs/dbraw/zinc/07/80/16/230078016.db2.gz KZKSSHSVCPVOTI-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000410433137 230078495 /nfs/dbraw/zinc/07/84/95/230078495.db2.gz KZKSSHSVCPVOTI-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000410433137 230078496 /nfs/dbraw/zinc/07/84/96/230078496.db2.gz KZKSSHSVCPVOTI-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000410503308 230108764 /nfs/dbraw/zinc/10/87/64/230108764.db2.gz MOJJAYYXTNUHKO-MRXNPFEDSA-N 1 3 356.511 0.356 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410503308 230108769 /nfs/dbraw/zinc/10/87/69/230108769.db2.gz MOJJAYYXTNUHKO-MRXNPFEDSA-N 1 3 356.511 0.356 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000410738300 230227444 /nfs/dbraw/zinc/22/74/44/230227444.db2.gz WEVNAXFWOGJQKK-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000410738300 230227446 /nfs/dbraw/zinc/22/74/46/230227446.db2.gz WEVNAXFWOGJQKK-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c2)CC1 ZINC000288160043 488951076 /nfs/dbraw/zinc/95/10/76/488951076.db2.gz MWEQKRJJBTXEMM-HNNXBMFYSA-N 1 3 361.490 0.833 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1=O ZINC000073880573 488386691 /nfs/dbraw/zinc/38/66/91/488386691.db2.gz HXZOOYVSOKCXOG-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1=O ZINC000073880573 488386692 /nfs/dbraw/zinc/38/66/92/488386692.db2.gz HXZOOYVSOKCXOG-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CN1CCN(C)CC1 ZINC000074657068 488393360 /nfs/dbraw/zinc/39/33/60/488393360.db2.gz DCSAWJWIMCASFU-QZTJIDSGSA-N 1 3 369.554 0.622 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000077208646 488409501 /nfs/dbraw/zinc/40/95/01/488409501.db2.gz GETGWUIGXZPVPO-HOTGVXAUSA-N 1 3 351.495 0.454 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000077208646 488409502 /nfs/dbraw/zinc/40/95/02/488409502.db2.gz GETGWUIGXZPVPO-HOTGVXAUSA-N 1 3 351.495 0.454 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000189430399 488414660 /nfs/dbraw/zinc/41/46/60/488414660.db2.gz MQGJBHYMDITFBX-HNNXBMFYSA-N 1 3 357.524 0.682 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCN2CCOCC2)CC1 ZINC000077654781 488416237 /nfs/dbraw/zinc/41/62/37/488416237.db2.gz QAPMVBRJZZNIBB-UHFFFAOYSA-N 1 3 354.539 0.879 20 0 FCADHO CN1CCC(O)(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000077771692 488417907 /nfs/dbraw/zinc/41/79/07/488417907.db2.gz OYVTVEYPNNZJHN-UHFFFAOYSA-N 1 3 364.490 0.883 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000077827034 488418645 /nfs/dbraw/zinc/41/86/45/488418645.db2.gz VVBMNYKIYNGLIU-GFCCVEGCSA-N 1 3 367.416 0.284 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873406 488434699 /nfs/dbraw/zinc/43/46/99/488434699.db2.gz PKZRLHIGIKEBHA-OAHLLOKOSA-N 1 3 359.478 0.541 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nc2ncccn2n1 ZINC000194873406 488434701 /nfs/dbraw/zinc/43/47/01/488434701.db2.gz PKZRLHIGIKEBHA-OAHLLOKOSA-N 1 3 359.478 0.541 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085363716 488451334 /nfs/dbraw/zinc/45/13/34/488451334.db2.gz QUIUPIZJGNTVCF-INIZCTEOSA-N 1 3 367.538 0.912 20 0 FCADHO CC[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)N(CC)CC ZINC000269164572 488475613 /nfs/dbraw/zinc/47/56/13/488475613.db2.gz CNNWCDBDUZZANI-OAHLLOKOSA-N 1 3 356.492 0.983 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269256435 488483540 /nfs/dbraw/zinc/48/35/40/488483540.db2.gz SLTVLRKYRSLZOU-RDJZCZTQSA-N 1 3 360.458 0.701 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269256435 488483543 /nfs/dbraw/zinc/48/35/43/488483543.db2.gz SLTVLRKYRSLZOU-RDJZCZTQSA-N 1 3 360.458 0.701 20 0 FCADHO COc1cc(CNC(=O)C[C@@H]2CNCCO2)ccc1OCC[NH+](C)C ZINC000269260650 488484022 /nfs/dbraw/zinc/48/40/22/488484022.db2.gz VLOQXTGUTHXBSE-OAHLLOKOSA-N 1 3 351.447 0.630 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1=O ZINC000247301807 488484532 /nfs/dbraw/zinc/48/45/32/488484532.db2.gz PDJKOFIUYNEARI-HYVNUMGLSA-N 1 3 350.507 0.905 20 0 FCADHO CC1CC[NH+](CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000102049255 488497129 /nfs/dbraw/zinc/49/71/29/488497129.db2.gz FQTYAQYALYCBKL-KRWDZBQOSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1cnc2sccc2c1=O ZINC000103212074 488500166 /nfs/dbraw/zinc/50/01/66/488500166.db2.gz LGJYQAHJVKNGOS-UHFFFAOYSA-N 1 3 365.503 0.800 20 0 FCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103305527 488500942 /nfs/dbraw/zinc/50/09/42/488500942.db2.gz QBERZBCAKAOODM-QGZVFWFLSA-N 1 3 365.522 0.810 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000103212442 488501010 /nfs/dbraw/zinc/50/10/10/488501010.db2.gz XNPMSSYRZXEUHB-LBPRGKRZSA-N 1 3 352.401 0.349 20 0 FCADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000108590427 488520382 /nfs/dbraw/zinc/52/03/82/488520382.db2.gz BQNWJAHUZJCRRQ-MRXNPFEDSA-N 1 3 351.495 0.278 20 0 FCADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000108590427 488520384 /nfs/dbraw/zinc/52/03/84/488520384.db2.gz BQNWJAHUZJCRRQ-MRXNPFEDSA-N 1 3 351.495 0.278 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000111865040 488532106 /nfs/dbraw/zinc/53/21/06/488532106.db2.gz GWXHNUBPDYCQRA-SJORKVTESA-N 1 3 356.511 0.489 20 0 FCADHO CC(C)N1CCC[C@H](N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261843559 488537944 /nfs/dbraw/zinc/53/79/44/488537944.db2.gz LSXATZGWJMAZKO-BBWFWOEESA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262003322 488545489 /nfs/dbraw/zinc/54/54/89/488545489.db2.gz DSAMZIKSTCULCX-QZTJIDSGSA-N 1 3 351.539 0.299 20 0 FCADHO C[C@H]1CCC[C@@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)(N(C)C)C1 ZINC000262029781 488546960 /nfs/dbraw/zinc/54/69/60/488546960.db2.gz BIYCJHKTTKVGLV-GOEBONIOSA-N 1 3 359.536 0.780 20 0 FCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000122187559 488575869 /nfs/dbraw/zinc/57/58/69/488575869.db2.gz NPSOIHFDJIXLIC-UHFFFAOYSA-N 1 3 362.474 0.650 20 0 FCADHO CCN1CCN(c2ccccc2NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263228880 488607043 /nfs/dbraw/zinc/60/70/43/488607043.db2.gz HKCYVAYWUMHDAG-SFHVURJKSA-N 1 3 361.490 0.867 20 0 FCADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127316277 488616153 /nfs/dbraw/zinc/61/61/53/488616153.db2.gz VCQKKAVBDYZQEO-HOTGVXAUSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127316277 488616155 /nfs/dbraw/zinc/61/61/55/488616155.db2.gz VCQKKAVBDYZQEO-HOTGVXAUSA-N 1 3 363.506 0.561 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000554616402 491213093 /nfs/dbraw/zinc/21/30/93/491213093.db2.gz GQEJYNSRPJMCCF-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000554616402 491213096 /nfs/dbraw/zinc/21/30/96/491213096.db2.gz GQEJYNSRPJMCCF-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263971918 488639893 /nfs/dbraw/zinc/63/98/93/488639893.db2.gz MRWBOOJIZGOILM-UHFFFAOYSA-N 1 3 364.490 0.814 20 0 FCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000136835408 488679301 /nfs/dbraw/zinc/67/93/01/488679301.db2.gz PGJBLPJAFQMJMO-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000136835222 488679387 /nfs/dbraw/zinc/67/93/87/488679387.db2.gz PGJBLPJAFQMJMO-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C(=O)COCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000153429934 488730863 /nfs/dbraw/zinc/73/08/63/488730863.db2.gz PVWUBWPNDUYJEI-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C(=O)COCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000153429934 488730865 /nfs/dbraw/zinc/73/08/65/488730865.db2.gz PVWUBWPNDUYJEI-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000154788806 488747592 /nfs/dbraw/zinc/74/75/92/488747592.db2.gz XKLYXUQZCIBDDB-UHFFFAOYSA-N 1 3 350.467 0.498 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)c(OCCN(C)C)c1 ZINC000164179239 488810283 /nfs/dbraw/zinc/81/02/83/488810283.db2.gz WFARSQOMJXWSKN-UHFFFAOYSA-N 1 3 350.463 0.942 20 0 FCADHO Cc1cc(N2CC[C@@H](N(C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173682391 488844546 /nfs/dbraw/zinc/84/45/46/488844546.db2.gz LNGVENHOMPSEAW-NVXWUHKLSA-N 1 3 363.506 0.858 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)ccn2)C1 ZINC000329890063 489045556 /nfs/dbraw/zinc/04/55/56/489045556.db2.gz FNQLGTSIZUAGDB-HOTGVXAUSA-N 1 3 359.474 0.634 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)c2ccnc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)C1 ZINC000329890063 489045559 /nfs/dbraw/zinc/04/55/59/489045559.db2.gz FNQLGTSIZUAGDB-HOTGVXAUSA-N 1 3 359.474 0.634 20 0 FCADHO COC(=O)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000366305442 489168865 /nfs/dbraw/zinc/16/88/65/489168865.db2.gz JFKWNKSKWREXSW-RHSMWYFYSA-N 1 3 366.506 0.996 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491148 489188839 /nfs/dbraw/zinc/18/88/39/489188839.db2.gz DOBSQUGECDVMJE-JZXOWHBKSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491148 489188840 /nfs/dbraw/zinc/18/88/40/489188840.db2.gz DOBSQUGECDVMJE-JZXOWHBKSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCC(C)CC1 ZINC000331447976 489212414 /nfs/dbraw/zinc/21/24/14/489212414.db2.gz SPAJTBJGBCJXMQ-QZWWFDLISA-N 1 3 350.507 0.809 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1 ZINC000332779372 489229201 /nfs/dbraw/zinc/22/92/01/489229201.db2.gz QNPSFVDZDZMMGC-LMMKCTJWSA-N 1 3 353.507 0.839 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369738427 489269572 /nfs/dbraw/zinc/26/95/72/489269572.db2.gz XVWYCBDPMJJMLO-NJAFHUGGSA-N 1 3 366.506 0.744 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369738427 489269573 /nfs/dbraw/zinc/26/95/73/489269573.db2.gz XVWYCBDPMJJMLO-NJAFHUGGSA-N 1 3 366.506 0.744 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633699 489284034 /nfs/dbraw/zinc/28/40/34/489284034.db2.gz PDCASKXHWBBMMD-AWEZNQCLSA-N 1 3 359.478 0.851 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccnc2c1nnn2C ZINC000283633699 489284037 /nfs/dbraw/zinc/28/40/37/489284037.db2.gz PDCASKXHWBBMMD-AWEZNQCLSA-N 1 3 359.478 0.851 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1=O ZINC000369911340 489290365 /nfs/dbraw/zinc/29/03/65/489290365.db2.gz KVPJTMFWHOPPBM-OBVSXPTNSA-N 1 3 362.518 0.905 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1=O ZINC000369911350 489290483 /nfs/dbraw/zinc/29/04/83/489290483.db2.gz KVPJTMFWHOPPBM-YYWYGQEZSA-N 1 3 362.518 0.905 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000555340469 491246858 /nfs/dbraw/zinc/24/68/58/491246858.db2.gz BLWKGPDRBODQOU-INIZCTEOSA-N 1 3 358.552 0.958 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370481594 489365158 /nfs/dbraw/zinc/36/51/58/489365158.db2.gz VJVBHRLNOMAGJQ-SFHVURJKSA-N 1 3 369.554 0.765 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000370481594 489365161 /nfs/dbraw/zinc/36/51/61/489365161.db2.gz VJVBHRLNOMAGJQ-SFHVURJKSA-N 1 3 369.554 0.765 20 0 FCADHO COC(=O)[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000370527492 489370678 /nfs/dbraw/zinc/37/06/78/489370678.db2.gz JPAAPJHWRUYFRF-KLHDSHLOSA-N 1 3 356.463 0.485 20 0 FCADHO COC(=O)[C@@H]1CN(CCOCC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000370527492 489370680 /nfs/dbraw/zinc/37/06/80/489370680.db2.gz JPAAPJHWRUYFRF-KLHDSHLOSA-N 1 3 356.463 0.485 20 0 FCADHO CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000370682499 489388908 /nfs/dbraw/zinc/38/89/08/489388908.db2.gz OCWKYADUYILZJP-MRXNPFEDSA-N 1 3 370.563 0.826 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697830 491258551 /nfs/dbraw/zinc/25/85/51/491258551.db2.gz BMOIJPFPMLDFSM-ROUUACIJSA-N 1 3 371.485 0.736 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)[C@H](C)C1 ZINC000371342877 489478789 /nfs/dbraw/zinc/47/87/89/489478789.db2.gz ZYFOBFOIBFWCDF-SQNIBIBYSA-N 1 3 352.523 0.630 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)[C@H](C)C1 ZINC000371342877 489478792 /nfs/dbraw/zinc/47/87/92/489478792.db2.gz ZYFOBFOIBFWCDF-SQNIBIBYSA-N 1 3 352.523 0.630 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676693 491256964 /nfs/dbraw/zinc/25/69/64/491256964.db2.gz UZLVNDBRAIXCKZ-MJQMVNBJSA-N 1 3 355.523 0.547 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676693 491256966 /nfs/dbraw/zinc/25/69/66/491256966.db2.gz UZLVNDBRAIXCKZ-MJQMVNBJSA-N 1 3 355.523 0.547 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423120407 489494912 /nfs/dbraw/zinc/49/49/12/489494912.db2.gz GKRWEQXCFPZREV-RYQLBKOJSA-N 1 3 358.486 0.740 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423120407 489494913 /nfs/dbraw/zinc/49/49/13/489494913.db2.gz GKRWEQXCFPZREV-RYQLBKOJSA-N 1 3 358.486 0.740 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423158508 489498155 /nfs/dbraw/zinc/49/81/55/489498155.db2.gz CXPUYIYVLFVMFS-ROUUACIJSA-N 1 3 373.501 0.844 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000423168701 489498728 /nfs/dbraw/zinc/49/87/28/489498728.db2.gz HXZAJPRDTZGMMD-LJQANCHMSA-N 1 3 362.474 0.690 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000423169705 489498969 /nfs/dbraw/zinc/49/89/69/489498969.db2.gz KFMBVXDKYZGURD-BBRMVZONSA-N 1 3 350.463 0.674 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423169208 489498979 /nfs/dbraw/zinc/49/89/79/489498979.db2.gz VRDCDIILQKJHRG-INIZCTEOSA-N 1 3 350.438 0.666 20 0 FCADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423175299 489500439 /nfs/dbraw/zinc/50/04/39/489500439.db2.gz DMXPOPJYPFIUBV-OAHLLOKOSA-N 1 3 354.520 0.883 20 0 FCADHO NS(=O)(=O)c1ccc2c(c1)[C@H](NCCCN1CC[NH2+]CC1)CCC2 ZINC000423190594 489500662 /nfs/dbraw/zinc/50/06/62/489500662.db2.gz STYZESOJZMIYEJ-QGZVFWFLSA-N 1 3 352.504 0.596 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2)C2CCN(C)CC2)C[C@H]1[NH3+] ZINC000423204048 489502341 /nfs/dbraw/zinc/50/23/41/489502341.db2.gz UAYUQBKEKKQXHF-CRAIPNDOSA-N 1 3 358.486 0.915 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423210197 489502773 /nfs/dbraw/zinc/50/27/73/489502773.db2.gz WFUDCRBPGIELLU-UHFFFAOYSA-N 1 3 368.428 0.805 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423262178 489508383 /nfs/dbraw/zinc/50/83/83/489508383.db2.gz LXXGFKAIEXGVHQ-INIZCTEOSA-N 1 3 354.495 0.014 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000423261679 489508676 /nfs/dbraw/zinc/50/86/76/489508676.db2.gz SQKXOPRIFIPEKX-RTBURBONSA-N 1 3 372.513 0.953 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423261676 489508691 /nfs/dbraw/zinc/50/86/91/489508691.db2.gz SQKXOPRIFIPEKX-MOPGFXCFSA-N 1 3 372.513 0.953 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000423284001 489511468 /nfs/dbraw/zinc/51/14/68/489511468.db2.gz XWUMOCMMXRAJOO-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000415374059 489516348 /nfs/dbraw/zinc/51/63/48/489516348.db2.gz ILGYZZRPTMFOCW-CYBMUJFWSA-N 1 3 352.410 0.573 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CC1 ZINC000415439105 489521220 /nfs/dbraw/zinc/52/12/20/489521220.db2.gz CJPOZBRALQVNTQ-QGZVFWFLSA-N 1 3 359.474 0.621 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415661997 489540205 /nfs/dbraw/zinc/54/02/05/489540205.db2.gz UZFDIMPUYHYXEU-AWEZNQCLSA-N 1 3 359.474 0.621 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115695 489547257 /nfs/dbraw/zinc/54/72/57/489547257.db2.gz IPKHZQHPDITWDR-FUHWJXTLSA-N 1 3 352.523 0.772 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115695 489547260 /nfs/dbraw/zinc/54/72/60/489547260.db2.gz IPKHZQHPDITWDR-FUHWJXTLSA-N 1 3 352.523 0.772 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)c(C)c2)CC1 ZINC000415731432 489547595 /nfs/dbraw/zinc/54/75/95/489547595.db2.gz FZTXIFNXEBLYKE-UHFFFAOYSA-N 1 3 359.474 0.506 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416010420 489567304 /nfs/dbraw/zinc/56/73/04/489567304.db2.gz QFLBOAICGODCRQ-GFCCVEGCSA-N 1 3 367.416 0.462 20 0 FCADHO CN1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000426567629 489575665 /nfs/dbraw/zinc/57/56/65/489575665.db2.gz LMOSUTNCLZHOTO-IRXDYDNUSA-N 1 3 368.522 0.510 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000555698852 491266894 /nfs/dbraw/zinc/26/68/94/491266894.db2.gz SGNLVUMALAUYQG-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO CCN1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416860704 489632020 /nfs/dbraw/zinc/63/20/20/489632020.db2.gz VYDBGYHZHBKQHE-CYBMUJFWSA-N 1 3 351.417 0.606 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030862 489639257 /nfs/dbraw/zinc/63/92/57/489639257.db2.gz PSTIGWITMCEHQI-ZIAGYGMSSA-N 1 3 365.444 0.996 20 0 FCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417030094 489639381 /nfs/dbraw/zinc/63/93/81/489639381.db2.gz WDWGRBDDRKZSPF-BWTSREIZSA-N 1 3 357.502 0.711 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000417312620 489647872 /nfs/dbraw/zinc/64/78/72/489647872.db2.gz NXYBSWLUVUBRRW-CVEARBPZSA-N 1 3 353.511 0.603 20 0 FCADHO CCC[C@@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418871 489651919 /nfs/dbraw/zinc/65/19/19/489651919.db2.gz BZVVFVIMKPMCAR-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[C@@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418871 489651922 /nfs/dbraw/zinc/65/19/22/489651922.db2.gz BZVVFVIMKPMCAR-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000417524714 489657253 /nfs/dbraw/zinc/65/72/53/489657253.db2.gz KDOOFGOKXDLWAN-GOSISDBHSA-N 1 3 364.490 0.929 20 0 FCADHO [NH3+]C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)C1CCCCC1 ZINC000417643428 489660195 /nfs/dbraw/zinc/66/01/95/489660195.db2.gz CKIYWDIFAGTNJC-SFHVURJKSA-N 1 3 369.554 0.583 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417753360 489664869 /nfs/dbraw/zinc/66/48/69/489664869.db2.gz OLKPJLPTMCDJGY-IRXDYDNUSA-N 1 3 356.511 0.883 20 0 FCADHO CN(C)[C@]1(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCSC1 ZINC000417815562 489666973 /nfs/dbraw/zinc/66/69/73/489666973.db2.gz ICIYLGODSOHAFE-YOEHRIQHSA-N 1 3 371.551 0.453 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000458230713 489674335 /nfs/dbraw/zinc/67/43/35/489674335.db2.gz GTURAQARYGCZDO-QGZVFWFLSA-N 1 3 356.511 0.633 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCN1C ZINC000418001083 489674743 /nfs/dbraw/zinc/67/47/43/489674743.db2.gz KHLSDOXAAXMHLU-QBPKDAKJSA-N 1 3 365.522 0.759 20 0 FCADHO COCCN(C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458242485 489675298 /nfs/dbraw/zinc/67/52/98/489675298.db2.gz RAEFVZOOPYDJGN-SJPCQFCGSA-N 1 3 356.511 0.848 20 0 FCADHO COCCN(C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000458242485 489675299 /nfs/dbraw/zinc/67/52/99/489675299.db2.gz RAEFVZOOPYDJGN-SJPCQFCGSA-N 1 3 356.511 0.848 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426993 489682768 /nfs/dbraw/zinc/68/27/68/489682768.db2.gz NQXHOUWODYWLCF-HZPDHXFCSA-N 1 3 353.511 0.698 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000458426993 489682769 /nfs/dbraw/zinc/68/27/69/489682769.db2.gz NQXHOUWODYWLCF-HZPDHXFCSA-N 1 3 353.511 0.698 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCCN2CCCO)CCCO1 ZINC000458709375 489697414 /nfs/dbraw/zinc/69/74/14/489697414.db2.gz CSLVSFRGSVGOHX-IRXDYDNUSA-N 1 3 356.511 0.633 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCCN2CCCO)CCCO1 ZINC000458709375 489697417 /nfs/dbraw/zinc/69/74/17/489697417.db2.gz CSLVSFRGSVGOHX-IRXDYDNUSA-N 1 3 356.511 0.633 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418483600 489702054 /nfs/dbraw/zinc/70/20/54/489702054.db2.gz ZKASXJBZIGHVDZ-DLBZAZTESA-N 1 3 361.490 0.312 20 0 FCADHO CC(C)C[C@H](NC(=O)NCC1(C)CC[NH2+]CC1)C(=O)NCCN(C)C ZINC000418513613 489703326 /nfs/dbraw/zinc/70/33/26/489703326.db2.gz GJKDMVUWHQMWDR-HNNXBMFYSA-N 1 3 355.527 0.768 20 0 FCADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418562248 489706811 /nfs/dbraw/zinc/70/68/11/489706811.db2.gz QTISSHVYWRPKOO-ZWKOTPCHSA-N 1 3 364.490 0.754 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418558988 489706977 /nfs/dbraw/zinc/70/69/77/489706977.db2.gz CGUAQMJLROPLBY-HEHGZKQESA-N 1 3 354.401 0.698 20 0 FCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418570864 489707776 /nfs/dbraw/zinc/70/77/76/489707776.db2.gz RBOPWSXULUOPAN-XCRHUMRWSA-N 1 3 368.428 0.776 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418623585 489711825 /nfs/dbraw/zinc/71/18/25/489711825.db2.gz OFWPLQSYRSDOMX-MRXNPFEDSA-N 1 3 353.511 0.700 20 0 FCADHO CCN1C[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000459046554 489715669 /nfs/dbraw/zinc/71/56/69/489715669.db2.gz LZABUOOIROAPBJ-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CCN1C[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000459046554 489715676 /nfs/dbraw/zinc/71/56/76/489715676.db2.gz LZABUOOIROAPBJ-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1)[C@H]1CCC[NH2+]1 ZINC000570923983 491273863 /nfs/dbraw/zinc/27/38/63/491273863.db2.gz PLDLAVDFMMAABR-KFKAGJAMSA-N 1 3 370.497 0.980 20 0 FCADHO CC(C)C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418725765 489720359 /nfs/dbraw/zinc/72/03/59/489720359.db2.gz PAPSWPAOWBRCRW-OAGGEKHMSA-N 1 3 355.527 0.896 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)CC1 ZINC000375645561 489723568 /nfs/dbraw/zinc/72/35/68/489723568.db2.gz UDJVNNYWYUYLKX-IAGOWNOFSA-N 1 3 363.506 0.465 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875258 491274182 /nfs/dbraw/zinc/27/41/82/491274182.db2.gz DWZOAWTWKKEHBD-KGLIPLIRSA-N 1 3 365.444 0.806 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418773809 489725163 /nfs/dbraw/zinc/72/51/63/489725163.db2.gz UTYOKSNXOKIWJP-KRWDZBQOSA-N 1 3 356.511 0.755 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418773809 489725167 /nfs/dbraw/zinc/72/51/67/489725167.db2.gz UTYOKSNXOKIWJP-KRWDZBQOSA-N 1 3 356.511 0.755 20 0 FCADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418804884 489731157 /nfs/dbraw/zinc/73/11/57/489731157.db2.gz ZPBMXNADCCDOBY-IRXDYDNUSA-N 1 3 350.463 0.976 20 0 FCADHO CN1CCC(O)(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000418807045 489731625 /nfs/dbraw/zinc/73/16/25/489731625.db2.gz YVRUTSBEEZVXRQ-UHFFFAOYSA-N 1 3 350.507 0.896 20 0 FCADHO Cc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000555809585 491274824 /nfs/dbraw/zinc/27/48/24/491274824.db2.gz OZCPLCGVRMUPKP-UHFFFAOYSA-N 1 3 352.454 0.702 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418825640 489741546 /nfs/dbraw/zinc/74/15/46/489741546.db2.gz AKWDIPPUQADPBT-MANSERQUSA-N 1 3 372.513 0.780 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576763 489748514 /nfs/dbraw/zinc/74/85/14/489748514.db2.gz XOGLKEBPEHFTDP-CHWSQXEVSA-N 1 3 354.476 0.722 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@@H]1C[NH3+] ZINC000418848346 489754482 /nfs/dbraw/zinc/75/44/82/489754482.db2.gz LHEGOOIXBLBXSZ-BPQIPLTHSA-N 1 3 360.502 0.719 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000418854946 489758369 /nfs/dbraw/zinc/75/83/69/489758369.db2.gz CJWGTVVGHIWCFU-MRXNPFEDSA-N 1 3 367.538 0.025 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000418855427 489759663 /nfs/dbraw/zinc/75/96/63/489759663.db2.gz DHCQIIKSGONBEP-HOTGVXAUSA-N 1 3 368.522 0.579 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418871276 489768224 /nfs/dbraw/zinc/76/82/24/489768224.db2.gz VEQWAZLLLBEMKU-CABCVRRESA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@@H]1C[NH3+] ZINC000418878103 489771013 /nfs/dbraw/zinc/77/10/13/489771013.db2.gz QFNTVLXQXBVVQJ-BPQIPLTHSA-N 1 3 360.502 0.861 20 0 FCADHO COCC[C@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000430878371 489774820 /nfs/dbraw/zinc/77/48/20/489774820.db2.gz NWBVKOQNPRSUAC-MAUKXSAKSA-N 1 3 354.495 0.062 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000459894907 489783609 /nfs/dbraw/zinc/78/36/09/489783609.db2.gz CVQCYDIXNCBWOL-UHFFFAOYSA-N 1 3 370.538 0.602 20 0 FCADHO O=C(N[C@H]1CCN(C2CC2)C1)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000474810056 489787754 /nfs/dbraw/zinc/78/77/54/489787754.db2.gz NQNNFNJOCRAJOC-GJZGRUSLSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(N[C@H]1CCN(C2CC2)C1)C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000474810056 489787758 /nfs/dbraw/zinc/78/77/58/489787758.db2.gz NQNNFNJOCRAJOC-GJZGRUSLSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(CNC(=O)N[C@H]1CCN(C2CC2)C1)NCC[NH+]1CCCCCC1 ZINC000431286817 489798933 /nfs/dbraw/zinc/79/89/33/489798933.db2.gz ZYIYFDSSPSTSCS-HNNXBMFYSA-N 1 3 351.495 0.515 20 0 FCADHO CC(C)C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000570999788 491279471 /nfs/dbraw/zinc/27/94/71/491279471.db2.gz YLFDSDPDBFKBSM-SJORKVTESA-N 1 3 370.538 0.648 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000555886128 491279477 /nfs/dbraw/zinc/27/94/77/491279477.db2.gz LTSSOCHKUFWOST-AWEZNQCLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418981000 489809418 /nfs/dbraw/zinc/80/94/18/489809418.db2.gz GDBQNRQBVUTYHY-CJNGLKHVSA-N 1 3 362.474 0.594 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000459997724 489812733 /nfs/dbraw/zinc/81/27/33/489812733.db2.gz TYBAVOJXWTXQLF-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000459997724 489812735 /nfs/dbraw/zinc/81/27/35/489812735.db2.gz TYBAVOJXWTXQLF-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419017986 489819403 /nfs/dbraw/zinc/81/94/03/489819403.db2.gz BHSZMFPBYBNCPS-XHSDSOJGSA-N 1 3 350.507 0.895 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419017549 489819769 /nfs/dbraw/zinc/81/97/69/489819769.db2.gz BBMYDKFNDRZDGM-KLHDSHLOSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419020435 489820737 /nfs/dbraw/zinc/82/07/37/489820737.db2.gz FTZPYEFDYBSUBD-LSDHHAIUSA-N 1 3 354.495 0.189 20 0 FCADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419024849 489822618 /nfs/dbraw/zinc/82/26/18/489822618.db2.gz LCRZSXVYFZXHDX-HUUCEWRRSA-N 1 3 356.511 0.211 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033141 489826385 /nfs/dbraw/zinc/82/63/85/489826385.db2.gz XVBHSRQTLUWIKS-JKSUJKDBSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419037016 489828573 /nfs/dbraw/zinc/82/85/73/489828573.db2.gz QCZXJTCYOUMSTH-CQSZACIVSA-N 1 3 354.520 0.332 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000460084552 489848630 /nfs/dbraw/zinc/84/86/30/489848630.db2.gz VETTTXNSPXFJJF-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419095582 489854550 /nfs/dbraw/zinc/85/45/50/489854550.db2.gz ATZMNDGNNKHNFE-WCXIOVBPSA-N 1 3 350.507 0.871 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419099110 489855147 /nfs/dbraw/zinc/85/51/47/489855147.db2.gz DKCWFLXGPCIBDE-IAGOWNOFSA-N 1 3 358.486 0.963 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000460265760 489860742 /nfs/dbraw/zinc/86/07/42/489860742.db2.gz ZEMCFGBMSIVQEB-BQFCYCMXSA-N 1 3 356.511 0.489 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000460265760 489860745 /nfs/dbraw/zinc/86/07/45/489860745.db2.gz ZEMCFGBMSIVQEB-BQFCYCMXSA-N 1 3 356.511 0.489 20 0 FCADHO C[C@@H]1CN(C2CCN(C(=O)CCCN3CCC([NH3+])CC3)CC2)CCO1 ZINC000433120154 489866705 /nfs/dbraw/zinc/86/67/05/489866705.db2.gz XXGVYPZJVXMAME-MRXNPFEDSA-N 1 3 352.523 0.901 20 0 FCADHO CN1CCN(c2cc(CNC(=O)CCCN3CCC([NH3+])CC3)ccn2)CC1 ZINC000433157557 489868520 /nfs/dbraw/zinc/86/85/20/489868520.db2.gz GPCKDGRNFAAIML-UHFFFAOYSA-N 1 3 374.533 0.653 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150823 489869132 /nfs/dbraw/zinc/86/91/32/489869132.db2.gz GZOUAKQNQHTTHT-QGZVFWFLSA-N 1 3 367.538 0.249 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150822 489869187 /nfs/dbraw/zinc/86/91/87/489869187.db2.gz GZOUAKQNQHTTHT-KRWDZBQOSA-N 1 3 367.538 0.249 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020277 489883357 /nfs/dbraw/zinc/88/33/57/489883357.db2.gz FBRGOAMOFKOWJA-RYQLBKOJSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020277 489883359 /nfs/dbraw/zinc/88/33/59/489883359.db2.gz FBRGOAMOFKOWJA-RYQLBKOJSA-N 1 3 358.486 0.963 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420023336 489884404 /nfs/dbraw/zinc/88/44/04/489884404.db2.gz APYFMTBDZPXELU-KFWWJZLASA-N 1 3 354.495 0.310 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420023336 489884408 /nfs/dbraw/zinc/88/44/08/489884408.db2.gz APYFMTBDZPXELU-KFWWJZLASA-N 1 3 354.495 0.310 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000433460836 489886467 /nfs/dbraw/zinc/88/64/67/489886467.db2.gz RUPGORKCJQKMCR-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCCN2CCN(C)CC2)CCCO1 ZINC000433460836 489886470 /nfs/dbraw/zinc/88/64/70/489886470.db2.gz RUPGORKCJQKMCR-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C[NH+]1CCCCC1 ZINC000420031897 489887417 /nfs/dbraw/zinc/88/74/17/489887417.db2.gz HMEXOXLTOMLNDU-ILXRZTDVSA-N 1 3 354.495 0.454 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420040943 489891058 /nfs/dbraw/zinc/89/10/58/489891058.db2.gz PLYYMMLGWMWBDL-DZGCQCFKSA-N 1 3 352.479 0.302 20 0 FCADHO NC[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000420057869 489896937 /nfs/dbraw/zinc/89/69/37/489896937.db2.gz HXJZUYMQTIWBBC-KRWDZBQOSA-N 1 3 350.507 0.955 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420064107 489899825 /nfs/dbraw/zinc/89/98/25/489899825.db2.gz OGZCJSDTMOETGM-SFHVURJKSA-N 1 3 358.486 0.963 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N[C@@H](CN)C3CC3)C2)CC1 ZINC000420063847 489900514 /nfs/dbraw/zinc/90/05/14/489900514.db2.gz NXVCUPKOUHFZSV-WBVHZDCISA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420090101 489908721 /nfs/dbraw/zinc/90/87/21/489908721.db2.gz FYCMVRGQWOMACQ-CZUORRHYSA-N 1 3 368.428 0.547 20 0 FCADHO CN(CCCN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O)CC[NH+](C)C ZINC000377528479 489915378 /nfs/dbraw/zinc/91/53/78/489915378.db2.gz REWFIBCPPZQLGB-KRWDZBQOSA-N 1 3 350.511 0.731 20 0 FCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000420112361 489916303 /nfs/dbraw/zinc/91/63/03/489916303.db2.gz ATUPKFPMJDTVDJ-JKSUJKDBSA-N 1 3 367.538 0.247 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420119402 489918890 /nfs/dbraw/zinc/91/88/90/489918890.db2.gz KVQVKFMTOPLZLS-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576193 489924249 /nfs/dbraw/zinc/92/42/49/489924249.db2.gz AIMIIUIIRBVILA-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576193 489924252 /nfs/dbraw/zinc/92/42/52/489924252.db2.gz AIMIIUIIRBVILA-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000477067975 489938677 /nfs/dbraw/zinc/93/86/77/489938677.db2.gz PJGHVZCBRUCCQJ-HZPDHXFCSA-N 1 3 356.511 0.450 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000477067976 489938785 /nfs/dbraw/zinc/93/87/85/489938785.db2.gz PJGHVZCBRUCCQJ-JKSUJKDBSA-N 1 3 356.511 0.450 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420173316 489940096 /nfs/dbraw/zinc/94/00/96/489940096.db2.gz XASURNRGZVUKHC-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169707 491290145 /nfs/dbraw/zinc/29/01/45/491290145.db2.gz YAVXQTCOODHJPB-IXDOHACOSA-N 1 3 363.506 0.608 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420195270 489948528 /nfs/dbraw/zinc/94/85/28/489948528.db2.gz KKCLGCAPDMNINJ-QGZVFWFLSA-N 1 3 366.506 0.206 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000462010581 489950242 /nfs/dbraw/zinc/95/02/42/489950242.db2.gz NZYGWMMYMNFMOJ-HOTGVXAUSA-N 1 3 353.511 0.663 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000462010581 489950244 /nfs/dbraw/zinc/95/02/44/489950244.db2.gz NZYGWMMYMNFMOJ-HOTGVXAUSA-N 1 3 353.511 0.663 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420207329 489953181 /nfs/dbraw/zinc/95/31/81/489953181.db2.gz QKMVYAILXWGAHU-INIZCTEOSA-N 1 3 374.485 0.343 20 0 FCADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325306 489963869 /nfs/dbraw/zinc/96/38/69/489963869.db2.gz BMTZXOHWMHQZGZ-HDICACEKSA-N 1 3 358.486 0.822 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000420373297 489968211 /nfs/dbraw/zinc/96/82/11/489968211.db2.gz GAEANMIKSNDTRC-CGTJXYLNSA-N 1 3 352.523 0.757 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000420411372 489973476 /nfs/dbraw/zinc/97/34/76/489973476.db2.gz BVJNMNZIAZEBDF-LBPRGKRZSA-N 1 3 357.524 0.809 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000420411375 489973640 /nfs/dbraw/zinc/97/36/40/489973640.db2.gz BVVQWIHKXHJIJX-IUODEOHRSA-N 1 3 357.524 0.728 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420436522 489976774 /nfs/dbraw/zinc/97/67/74/489976774.db2.gz AYPGGOGMWPTSKE-HNNXBMFYSA-N 1 3 357.524 0.872 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@@H]1C ZINC000477615628 489977175 /nfs/dbraw/zinc/97/71/75/489977175.db2.gz MGSYMNGTUXZSSM-DOTOQJQBSA-N 1 3 368.522 0.545 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@@H]1C ZINC000477615628 489977178 /nfs/dbraw/zinc/97/71/78/489977178.db2.gz MGSYMNGTUXZSSM-DOTOQJQBSA-N 1 3 368.522 0.545 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F ZINC000420467444 489981791 /nfs/dbraw/zinc/98/17/91/489981791.db2.gz SKJBJAIJZWXCBO-LLVKDONJSA-N 1 3 353.439 0.322 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000420467445 489982059 /nfs/dbraw/zinc/98/20/59/489982059.db2.gz SKJBJAIJZWXCBO-NSHDSACASA-N 1 3 353.439 0.322 20 0 FCADHO COc1nc(N(C)C[C@H]2CCCN2C)nc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420630948 490003136 /nfs/dbraw/zinc/00/31/36/490003136.db2.gz FVXQEPZFEAABFE-HUUCEWRRSA-N 1 3 363.510 0.941 20 0 FCADHO COc1nc(N(C)C[C@H]2CCCN2C)nc(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420630948 490003139 /nfs/dbraw/zinc/00/31/39/490003139.db2.gz FVXQEPZFEAABFE-HUUCEWRRSA-N 1 3 363.510 0.941 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420801336 490022924 /nfs/dbraw/zinc/02/29/24/490022924.db2.gz KHHDBSMAQMNVLP-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973305 490034989 /nfs/dbraw/zinc/03/49/89/490034989.db2.gz YUWQNSPDXAHITC-CABCVRRESA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973305 490034992 /nfs/dbraw/zinc/03/49/92/490034992.db2.gz YUWQNSPDXAHITC-CABCVRRESA-N 1 3 351.499 0.934 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479201606 490072964 /nfs/dbraw/zinc/07/29/64/490072964.db2.gz ISCWKVCHMTVVPL-IRXDYDNUSA-N 1 3 364.465 0.927 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815857 490089035 /nfs/dbraw/zinc/08/90/35/490089035.db2.gz YMWMXRBUPFWSED-HOTGVXAUSA-N 1 3 365.522 0.713 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477572 490123734 /nfs/dbraw/zinc/12/37/34/490123734.db2.gz OVDHCNPHQVPREB-MRXNPFEDSA-N 1 3 353.511 0.570 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477572 490123742 /nfs/dbraw/zinc/12/37/42/490123742.db2.gz OVDHCNPHQVPREB-MRXNPFEDSA-N 1 3 353.511 0.570 20 0 FCADHO COCCOC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465819447 490143902 /nfs/dbraw/zinc/14/39/02/490143902.db2.gz QUJHKCMTGABGFV-HNNXBMFYSA-N 1 3 356.511 0.896 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839719 490147491 /nfs/dbraw/zinc/14/74/91/490147491.db2.gz JJUXCQDMSIHEGR-PMPSAXMXSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839719 490147494 /nfs/dbraw/zinc/14/74/94/490147494.db2.gz JJUXCQDMSIHEGR-PMPSAXMXSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1C ZINC000465863637 490149479 /nfs/dbraw/zinc/14/94/79/490149479.db2.gz HAPWUGVFEMKQHH-ZBFHGGJFSA-N 1 3 353.511 0.711 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000556203931 491302780 /nfs/dbraw/zinc/30/27/80/491302780.db2.gz FFOSGDSHNRRMAD-KRWDZBQOSA-N 1 3 356.536 0.529 20 0 FCADHO CCC[NH+]1CCC(NC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000465930269 490152693 /nfs/dbraw/zinc/15/26/93/490152693.db2.gz MOFLWURTACUYNU-UHFFFAOYSA-N 1 3 369.554 0.550 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556206800 491303099 /nfs/dbraw/zinc/30/30/99/491303099.db2.gz NXILGLPPOASTRR-QAPCUYQASA-N 1 3 370.563 0.634 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556206800 491303101 /nfs/dbraw/zinc/30/31/01/491303101.db2.gz NXILGLPPOASTRR-QAPCUYQASA-N 1 3 370.563 0.634 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012267 490167724 /nfs/dbraw/zinc/16/77/24/490167724.db2.gz UDVWRPDELLQQBF-AEFFLSMTSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012267 490167734 /nfs/dbraw/zinc/16/77/34/490167734.db2.gz UDVWRPDELLQQBF-AEFFLSMTSA-N 1 3 358.486 0.835 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422126705 490178603 /nfs/dbraw/zinc/17/86/03/490178603.db2.gz XAJNSMJGACKGCZ-IRXDYDNUSA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000520852551 490199625 /nfs/dbraw/zinc/19/96/25/490199625.db2.gz TUJWHAOBUIMUIG-MRXNPFEDSA-N 1 3 368.522 0.452 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3CCN(C4CC4)CC3)C2)CC1 ZINC000571422256 491306881 /nfs/dbraw/zinc/30/68/81/491306881.db2.gz GHIZCXQCVSNCHU-INIZCTEOSA-N 1 3 362.518 0.920 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000556270440 491306942 /nfs/dbraw/zinc/30/69/42/491306942.db2.gz HOJGLHWPTPYODX-UHFFFAOYSA-N 1 3 356.511 0.404 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000556270440 491306944 /nfs/dbraw/zinc/30/69/44/491306944.db2.gz HOJGLHWPTPYODX-UHFFFAOYSA-N 1 3 356.511 0.404 20 0 FCADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1(CN(C)C)CCC1 ZINC000546196796 490207322 /nfs/dbraw/zinc/20/73/22/490207322.db2.gz UMSAYBBKFIZBHE-UHFFFAOYSA-N 1 3 357.524 0.824 20 0 FCADHO CNC(=O)N[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000547344113 490280529 /nfs/dbraw/zinc/28/05/29/490280529.db2.gz SJWXVGLAAHAMDY-HNNXBMFYSA-N 1 3 366.510 0.258 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483331384 490308809 /nfs/dbraw/zinc/30/88/09/490308809.db2.gz FUHZCZNQQCOMNA-IKGGRYGDSA-N 1 3 368.522 0.545 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897325 490308826 /nfs/dbraw/zinc/30/88/26/490308826.db2.gz BGJMKTBTVMGNDH-NVXWUHKLSA-N 1 3 361.490 0.476 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289281 490366795 /nfs/dbraw/zinc/36/67/95/490366795.db2.gz ANDOFEQBJDHTEC-WBVHZDCISA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289281 490366798 /nfs/dbraw/zinc/36/67/98/490366798.db2.gz ANDOFEQBJDHTEC-WBVHZDCISA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571690907 491323243 /nfs/dbraw/zinc/32/32/43/491323243.db2.gz IRNLLSNHKCZQNP-MRXNPFEDSA-N 1 3 353.511 0.700 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000468505285 490410066 /nfs/dbraw/zinc/41/00/66/490410066.db2.gz NKUXGKBSAKBTHA-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO CC1[C@@H](C(=O)N2CCN3CCC[C@H]3C2)[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000449827027 490430613 /nfs/dbraw/zinc/43/06/13/490430613.db2.gz GXIBRWVQAMIRKY-WNRNVDISSA-N 1 3 360.502 0.482 20 0 FCADHO CC1[C@@H](C(=O)N2CCN3CCC[C@H]3C2)[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000449827027 490430619 /nfs/dbraw/zinc/43/06/19/490430619.db2.gz GXIBRWVQAMIRKY-WNRNVDISSA-N 1 3 360.502 0.482 20 0 FCADHO CC1[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449827025 490430837 /nfs/dbraw/zinc/43/08/37/490430837.db2.gz GXIBRWVQAMIRKY-BRSBDYLESA-N 1 3 360.502 0.482 20 0 FCADHO CC1[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000449827025 490430841 /nfs/dbraw/zinc/43/08/41/490430841.db2.gz GXIBRWVQAMIRKY-BRSBDYLESA-N 1 3 360.502 0.482 20 0 FCADHO CS[C@@H]1C[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1N1CCCC1 ZINC000484626381 490449009 /nfs/dbraw/zinc/44/90/09/490449009.db2.gz ITMYNYFYULIZIQ-IECFSIQFSA-N 1 3 357.564 0.968 20 0 FCADHO CS[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1N1CCCC1 ZINC000484626381 490449016 /nfs/dbraw/zinc/44/90/16/490449016.db2.gz ITMYNYFYULIZIQ-IECFSIQFSA-N 1 3 357.564 0.968 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000484718455 490459520 /nfs/dbraw/zinc/45/95/20/490459520.db2.gz YPSBMUYJZFFCAZ-HNNXBMFYSA-N 1 3 353.511 0.522 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804352 491330389 /nfs/dbraw/zinc/33/03/89/491330389.db2.gz OMXZTDSTRXFUMH-DOTOQJQBSA-N 1 3 350.507 0.633 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1=O ZINC000510407053 490513599 /nfs/dbraw/zinc/51/35/99/490513599.db2.gz OYHYNSKVZZJJRL-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CCCNCC3)c2)C1 ZINC000571864683 491333379 /nfs/dbraw/zinc/33/33/79/491333379.db2.gz GTKPFCAPIVXPNS-GOSISDBHSA-N 1 3 373.501 0.889 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCCNCC3)c2)C1 ZINC000571864683 491333381 /nfs/dbraw/zinc/33/33/81/491333381.db2.gz GTKPFCAPIVXPNS-GOSISDBHSA-N 1 3 373.501 0.889 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CC[C@@H](C)C2)CC1=O ZINC000524775070 490558886 /nfs/dbraw/zinc/55/88/86/490558886.db2.gz OPVKVPMXPHTFRL-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CC[C@@H](C)C2)CC1=O ZINC000524775070 490558893 /nfs/dbraw/zinc/55/88/93/490558893.db2.gz OPVKVPMXPHTFRL-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830065 490562538 /nfs/dbraw/zinc/56/25/38/490562538.db2.gz MTJOQLDZGABUSO-CVEARBPZSA-N 1 3 363.510 0.206 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000564913664 491336170 /nfs/dbraw/zinc/33/61/70/491336170.db2.gz RFCZCMHOWFMBDS-GDBMZVCRSA-N 1 3 364.515 0.945 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000564922334 491337190 /nfs/dbraw/zinc/33/71/90/491337190.db2.gz WUVUREXOJKPDIG-QFBILLFUSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000571941752 491338913 /nfs/dbraw/zinc/33/89/13/491338913.db2.gz XVZPTKXLVYPBAW-TWMKSMIVSA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000571941752 491338914 /nfs/dbraw/zinc/33/89/14/491338914.db2.gz XVZPTKXLVYPBAW-TWMKSMIVSA-N 1 3 365.522 0.698 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635908 490627258 /nfs/dbraw/zinc/62/72/58/490627258.db2.gz GVRXVVFZFNJFMG-SJORKVTESA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635908 490627263 /nfs/dbraw/zinc/62/72/63/490627263.db2.gz GVRXVVFZFNJFMG-SJORKVTESA-N 1 3 366.506 0.156 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640297 490629084 /nfs/dbraw/zinc/62/90/84/490629084.db2.gz OZRAZTRSCANDNO-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640297 490629086 /nfs/dbraw/zinc/62/90/86/490629086.db2.gz OZRAZTRSCANDNO-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640273 490629927 /nfs/dbraw/zinc/62/99/27/490629927.db2.gz NKUWLUVWJFLSGX-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640273 490629931 /nfs/dbraw/zinc/62/99/31/490629931.db2.gz NKUWLUVWJFLSGX-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501648117 490630789 /nfs/dbraw/zinc/63/07/89/490630789.db2.gz XXWKQPOKLLTIBL-HNNXBMFYSA-N 1 3 366.506 0.156 20 0 FCADHO CC(C)Oc1ncccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525882785 490645844 /nfs/dbraw/zinc/64/58/44/490645844.db2.gz DGJQECCQKUVTOT-UHFFFAOYSA-N 1 3 365.478 0.759 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000572001993 491342411 /nfs/dbraw/zinc/34/24/11/491342411.db2.gz XXCXOMRPEOQOAY-ZIAGYGMSSA-N 1 3 350.463 0.485 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000550327035 490660406 /nfs/dbraw/zinc/66/04/06/490660406.db2.gz AAONOXUWCAGXLS-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292996 490671997 /nfs/dbraw/zinc/67/19/97/490671997.db2.gz CRGQVXFQHUQGBJ-ZDUSSCGKSA-N 1 3 354.476 0.546 20 0 FCADHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292996 490672000 /nfs/dbraw/zinc/67/20/00/490672000.db2.gz CRGQVXFQHUQGBJ-ZDUSSCGKSA-N 1 3 354.476 0.546 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074328 490674756 /nfs/dbraw/zinc/67/47/56/490674756.db2.gz JPLRWXWHVAMVFE-CYBMUJFWSA-N 1 3 366.428 0.930 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074328 490674758 /nfs/dbraw/zinc/67/47/58/490674758.db2.gz JPLRWXWHVAMVFE-CYBMUJFWSA-N 1 3 366.428 0.930 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C[C@H](C)O1 ZINC000565032785 491347053 /nfs/dbraw/zinc/34/70/53/491347053.db2.gz QIXLDNVOOUTCLP-GASCZTMLSA-N 1 3 352.483 0.636 20 0 FCADHO O=C1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CN1CCN1CCOCC1 ZINC000538158556 490716472 /nfs/dbraw/zinc/71/64/72/490716472.db2.gz GZAOMSVQRWZINZ-SFHVURJKSA-N 1 3 350.507 0.384 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)[C@@H]3CN4CCN3CCC4)CCCC2)CC1 ZINC000488074355 490745138 /nfs/dbraw/zinc/74/51/38/490745138.db2.gz ALUMPBWPVMRKEE-SFHVURJKSA-N 1 3 364.534 0.916 20 0 FCADHO Cc1cnc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000572157942 491352961 /nfs/dbraw/zinc/35/29/61/491352961.db2.gz RLYZXHLIJHQHJV-ZDUSSCGKSA-N 1 3 355.508 0.581 20 0 FCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000514663240 490779217 /nfs/dbraw/zinc/77/92/17/490779217.db2.gz HZUGRZLEGQFEDN-HUUCEWRRSA-N 1 3 359.465 0.795 20 0 FCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000514663240 490779222 /nfs/dbraw/zinc/77/92/22/490779222.db2.gz HZUGRZLEGQFEDN-HUUCEWRRSA-N 1 3 359.465 0.795 20 0 FCADHO Cc1nn(C)c(N2CCOCC2)c1CN(C)CCCN(C)CC[NH+](C)C ZINC000514786263 490787922 /nfs/dbraw/zinc/78/79/22/490787922.db2.gz UKKXKBWCCAXKNV-UHFFFAOYSA-N 1 3 366.554 0.880 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514999366 490802116 /nfs/dbraw/zinc/80/21/16/490802116.db2.gz GFFBTTLITVXHPX-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514999366 490802119 /nfs/dbraw/zinc/80/21/19/490802119.db2.gz GFFBTTLITVXHPX-KRWDZBQOSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CN(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H](C)O1 ZINC000540322858 490817206 /nfs/dbraw/zinc/81/72/06/490817206.db2.gz ZLDHBDILOZTPKJ-LMMKCTJWSA-N 1 3 356.555 0.414 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@@H](C)O1 ZINC000540322858 490817207 /nfs/dbraw/zinc/81/72/07/490817207.db2.gz ZLDHBDILOZTPKJ-LMMKCTJWSA-N 1 3 356.555 0.414 20 0 FCADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541663871 490868741 /nfs/dbraw/zinc/86/87/41/490868741.db2.gz FPULUDPIPHMXKG-UHFFFAOYSA-N 1 3 368.522 0.357 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(OCC2CC2)CC1 ZINC000517706093 490917109 /nfs/dbraw/zinc/91/71/09/490917109.db2.gz ZQQWIDPNZKFNMY-UHFFFAOYSA-N 1 3 368.522 0.356 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000517895533 490924042 /nfs/dbraw/zinc/92/40/42/490924042.db2.gz VEKIUSLMHKTBRL-CABCVRRESA-N 1 3 360.458 0.763 20 0 FCADHO CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218830 490933748 /nfs/dbraw/zinc/93/37/48/490933748.db2.gz MXBKPAAWMIZOSD-YESZJQIVSA-N 1 3 365.522 0.696 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518738560 490949447 /nfs/dbraw/zinc/94/94/47/490949447.db2.gz ZVJIQKIYMVSCDD-SOUVJXGZSA-N 1 3 352.479 0.302 20 0 FCADHO CN1CC[NH+](CCCCNC(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000531394170 490955980 /nfs/dbraw/zinc/95/59/80/490955980.db2.gz DBHISMYAAIOWLE-GOSISDBHSA-N 1 3 367.538 0.378 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000519129605 490961955 /nfs/dbraw/zinc/96/19/55/490961955.db2.gz FBODPZFYGQPGIM-HZPDHXFCSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000519129605 490961956 /nfs/dbraw/zinc/96/19/56/490961956.db2.gz FBODPZFYGQPGIM-HZPDHXFCSA-N 1 3 355.527 0.957 20 0 FCADHO Cc1nn(C)c(N2CCOCC2)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000532119942 490988020 /nfs/dbraw/zinc/98/80/20/490988020.db2.gz FILYBLHJXVBOHO-UHFFFAOYSA-N 1 3 365.522 0.890 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000553956626 491166204 /nfs/dbraw/zinc/16/62/04/491166204.db2.gz KLFQDZXNIRPZKB-GJZGRUSLSA-N 1 3 368.522 0.591 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000553956626 491166207 /nfs/dbraw/zinc/16/62/07/491166207.db2.gz KLFQDZXNIRPZKB-GJZGRUSLSA-N 1 3 368.522 0.591 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000569697515 491182838 /nfs/dbraw/zinc/18/28/38/491182838.db2.gz QJHDTWJIXWLPHP-CQSZACIVSA-N 1 3 370.461 0.429 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CSc2ccccc21 ZINC000557451239 491375333 /nfs/dbraw/zinc/37/53/33/491375333.db2.gz DBTVOASHGGYCLG-HNNXBMFYSA-N 1 3 364.515 0.901 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CSc2ccccc21 ZINC000557451240 491375567 /nfs/dbraw/zinc/37/55/67/491375567.db2.gz DBTVOASHGGYCLG-OAHLLOKOSA-N 1 3 364.515 0.901 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270755 493337628 /nfs/dbraw/zinc/33/76/28/493337628.db2.gz PMAMTGCFDQDNGE-WBVHZDCISA-N 1 3 359.474 0.529 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000660270755 493337629 /nfs/dbraw/zinc/33/76/29/493337629.db2.gz PMAMTGCFDQDNGE-WBVHZDCISA-N 1 3 359.474 0.529 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H]1c1ccccc1F ZINC000565475269 491378984 /nfs/dbraw/zinc/37/89/84/491378984.db2.gz ISLIZTGDYFYAKY-DUVNUKRYSA-N 1 3 358.421 0.909 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCN3CCOCC3)CC2)CC1 ZINC000565498051 491380424 /nfs/dbraw/zinc/38/04/24/491380424.db2.gz YEUNYXDCQFBDCQ-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000557554534 491382193 /nfs/dbraw/zinc/38/21/93/491382193.db2.gz MPDKFALJADESOM-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000572699728 491387381 /nfs/dbraw/zinc/38/73/81/491387381.db2.gz KJVVIKQDIVJWQG-KRWDZBQOSA-N 1 3 368.522 0.213 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000565610665 491388738 /nfs/dbraw/zinc/38/87/38/491388738.db2.gz XXPHKOLITBOPFF-OAHLLOKOSA-N 1 3 353.511 0.713 20 0 FCADHO C[NH+]1CCC(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000668362259 493340683 /nfs/dbraw/zinc/34/06/83/493340683.db2.gz UOXBALAHXCIOGZ-UHFFFAOYSA-N 1 3 373.501 0.620 20 0 FCADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000573022997 491408080 /nfs/dbraw/zinc/40/80/80/491408080.db2.gz MOMSEZDDIMRNMM-ROUUACIJSA-N 1 3 373.501 0.982 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000558007562 491408390 /nfs/dbraw/zinc/40/83/90/491408390.db2.gz VMNSCNPNWMLDAA-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000558007562 491408393 /nfs/dbraw/zinc/40/83/93/491408393.db2.gz VMNSCNPNWMLDAA-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)C[C@H](C)O1 ZINC000566157420 491421290 /nfs/dbraw/zinc/42/12/90/491421290.db2.gz HATKDFNNFZBLQB-GASCZTMLSA-N 1 3 364.494 0.588 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000566189321 491423978 /nfs/dbraw/zinc/42/39/78/491423978.db2.gz CTTLTLJESRQOLK-UHFFFAOYSA-N 1 3 361.490 0.841 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000566197813 491425079 /nfs/dbraw/zinc/42/50/79/491425079.db2.gz QOWUUZHDOYMKSI-QZTJIDSGSA-N 1 3 374.485 0.262 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000573490345 491436879 /nfs/dbraw/zinc/43/68/79/491436879.db2.gz MLMOGFOPYJKYGG-KBPBESRZSA-N 1 3 352.454 0.958 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](CO)OC[C@H]3C)CC2)CC1 ZINC000566439720 491443652 /nfs/dbraw/zinc/44/36/52/491443652.db2.gz LTWIICXWMMMWAI-QAPCUYQASA-N 1 3 353.507 0.791 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000566511922 491450522 /nfs/dbraw/zinc/45/05/22/491450522.db2.gz DKZWAURCUGSQRY-LJQANCHMSA-N 1 3 370.497 0.798 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nccs1 ZINC000573879280 491460760 /nfs/dbraw/zinc/46/07/60/491460760.db2.gz SESQTRZRAOEVTH-ZDUSSCGKSA-N 1 3 355.508 0.315 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CNCc2ccccc21 ZINC000574451402 491497901 /nfs/dbraw/zinc/49/79/01/491497901.db2.gz NYDJNMVFIBBZEE-HUUCEWRRSA-N 1 3 356.392 0.826 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559866851 491506382 /nfs/dbraw/zinc/50/63/82/491506382.db2.gz GDSVPDMMPKYRNT-KBXCAEBGSA-N 1 3 370.563 0.777 20 0 FCADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)NC3CNC3)cc2)C1 ZINC000567480137 491508609 /nfs/dbraw/zinc/50/86/09/491508609.db2.gz BUXVTPGKJWOVQD-HUUCEWRRSA-N 1 3 358.486 0.869 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529276 491512085 /nfs/dbraw/zinc/51/20/85/491512085.db2.gz LXHLNYATNWMCSX-MAUKXSAKSA-N 1 3 370.563 0.778 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC(=O)N(C)C3=O)CC2)CC1 ZINC000567626703 491519187 /nfs/dbraw/zinc/51/91/87/491519187.db2.gz USQOQSFTMOTPOF-OAHLLOKOSA-N 1 3 350.463 0.056 20 0 FCADHO COC1CCN(CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000683378092 493348257 /nfs/dbraw/zinc/34/82/57/493348257.db2.gz BOVISIRGHKVPFG-MRXNPFEDSA-N 1 3 356.511 0.897 20 0 FCADHO COC1CCN(CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000683378092 493348259 /nfs/dbraw/zinc/34/82/59/493348259.db2.gz BOVISIRGHKVPFG-MRXNPFEDSA-N 1 3 356.511 0.897 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000567754802 491527312 /nfs/dbraw/zinc/52/73/12/491527312.db2.gz SHKWRLLVQKURMR-MSOLQXFVSA-N 1 3 360.502 0.861 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000560637454 491548012 /nfs/dbraw/zinc/54/80/12/491548012.db2.gz AIXZSGNJRXFWMC-UHFFFAOYSA-N 1 3 354.495 0.110 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000575902759 491569125 /nfs/dbraw/zinc/56/91/25/491569125.db2.gz XNFOGCLDJMDKDJ-ARFHVFGLSA-N 1 3 350.507 0.824 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000561116317 491575398 /nfs/dbraw/zinc/57/53/98/491575398.db2.gz UQDCCPCJSBOPLX-UHFFFAOYSA-N 1 3 354.495 0.156 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCCO1 ZINC000576027014 491576999 /nfs/dbraw/zinc/57/69/99/491576999.db2.gz IJTPNSXZNVZNRD-HZPDHXFCSA-N 1 3 352.479 0.040 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000561194659 491581868 /nfs/dbraw/zinc/58/18/68/491581868.db2.gz RLHOTLZVVCGHDH-OAHLLOKOSA-N 1 3 368.522 0.545 20 0 FCADHO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC1 ZINC000577106077 491590038 /nfs/dbraw/zinc/59/00/38/491590038.db2.gz DJFZFUBDNHVTHW-UHFFFAOYSA-N 1 3 357.524 0.682 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)C[C@H]21 ZINC000660470023 493353689 /nfs/dbraw/zinc/35/36/89/493353689.db2.gz JBLYEXIXCNRQBB-IPMKNSEASA-N 1 3 370.497 0.882 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)C[C@H]21 ZINC000660470023 493353691 /nfs/dbraw/zinc/35/36/91/493353691.db2.gz JBLYEXIXCNRQBB-IPMKNSEASA-N 1 3 370.497 0.882 20 0 FCADHO CC[NH+]1CCC(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000568667176 491598546 /nfs/dbraw/zinc/59/85/46/491598546.db2.gz SYNXGRQXQWPFTH-KRWDZBQOSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C[C@H](C)O1 ZINC000576330393 491605037 /nfs/dbraw/zinc/60/50/37/491605037.db2.gz MZGIZAUERARXOX-SOLBZPMBSA-N 1 3 367.538 0.421 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@H]21 ZINC000576338369 491606249 /nfs/dbraw/zinc/60/62/49/491606249.db2.gz GSMTVQGVPXWHRG-INDMIFKZSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@H]21 ZINC000576338369 491606251 /nfs/dbraw/zinc/60/62/51/491606251.db2.gz GSMTVQGVPXWHRG-INDMIFKZSA-N 1 3 370.497 0.882 20 0 FCADHO COCC[NH+]1CCC(NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000568795693 491610610 /nfs/dbraw/zinc/61/06/10/491610610.db2.gz BDTPLIJRPYCTJT-MRXNPFEDSA-N 1 3 362.540 0.348 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000576599934 491628392 /nfs/dbraw/zinc/62/83/92/491628392.db2.gz QATSXGNYXZBCOP-AEFFLSMTSA-N 1 3 360.502 0.734 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000576599935 491628694 /nfs/dbraw/zinc/62/86/94/491628694.db2.gz QATSXGNYXZBCOP-FUHWJXTLSA-N 1 3 360.502 0.734 20 0 FCADHO CCN(CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000569049133 491630245 /nfs/dbraw/zinc/63/02/45/491630245.db2.gz YDXYKDCLFMDDNT-DLBZAZTESA-N 1 3 366.506 0.081 20 0 FCADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CC(=O)NC1=O ZINC000569256543 491646923 /nfs/dbraw/zinc/64/69/23/491646923.db2.gz JHNPLPSWDNLKKC-INIZCTEOSA-N 1 3 364.490 0.446 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000578066770 491669081 /nfs/dbraw/zinc/66/90/81/491669081.db2.gz FNBKVPDUPMMQBM-KRWDZBQOSA-N 1 3 362.474 0.502 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000578095636 491669922 /nfs/dbraw/zinc/66/99/22/491669922.db2.gz YAMIZPNQHXKQHX-DLBZAZTESA-N 1 3 366.506 0.035 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000578156897 491670976 /nfs/dbraw/zinc/67/09/76/491670976.db2.gz GKWYQRRLEPBHKG-ARFHVFGLSA-N 1 3 368.522 0.258 20 0 FCADHO O=C(Nc1ccc(N2CCNCC2)cn1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000579121063 491691458 /nfs/dbraw/zinc/69/14/58/491691458.db2.gz COOFKFUSSZRIAG-UHFFFAOYSA-N 1 3 356.434 0.260 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C[NH+]1CCCC1 ZINC000579138012 491691895 /nfs/dbraw/zinc/69/18/95/491691895.db2.gz LKPLIZRRWLKVAV-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CS[C@H]1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579391861 491697125 /nfs/dbraw/zinc/69/71/25/491697125.db2.gz IDPSKMJEBMDFLJ-GJZGRUSLSA-N 1 3 358.552 0.729 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCCCCC1 ZINC000579572921 491700731 /nfs/dbraw/zinc/70/07/31/491700731.db2.gz HGMDXVHIDBJBPR-SJORKVTESA-N 1 3 367.538 0.105 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584793676 491714864 /nfs/dbraw/zinc/71/48/64/491714864.db2.gz RLQLKXCOAZFZOH-BGTYHANMSA-N 1 3 371.485 0.460 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584793676 491714865 /nfs/dbraw/zinc/71/48/65/491714865.db2.gz RLQLKXCOAZFZOH-BGTYHANMSA-N 1 3 371.485 0.460 20 0 FCADHO CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000580449861 491731765 /nfs/dbraw/zinc/73/17/65/491731765.db2.gz DFGMLIAXVHNYIO-GOSISDBHSA-N 1 3 373.501 0.415 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000587100108 491734862 /nfs/dbraw/zinc/73/48/62/491734862.db2.gz OUUYWZDMRJSAAG-IKGGRYGDSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000587100108 491734863 /nfs/dbraw/zinc/73/48/63/491734863.db2.gz OUUYWZDMRJSAAG-IKGGRYGDSA-N 1 3 365.522 0.855 20 0 FCADHO CN1CCC(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000580821985 491747217 /nfs/dbraw/zinc/74/72/17/491747217.db2.gz QPTIJDVUTCCNPO-UHFFFAOYSA-N 1 3 366.506 0.300 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000582312684 491807182 /nfs/dbraw/zinc/80/71/82/491807182.db2.gz GZLUQTTWXWBJNP-QGZVFWFLSA-N 1 3 358.486 0.759 20 0 FCADHO CCOC(=O)C1([C@@H](C)NCCS(=O)(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000591568956 491808855 /nfs/dbraw/zinc/80/88/55/491808855.db2.gz ORQKGWGNLLNROH-CYBMUJFWSA-N 1 3 363.524 0.615 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCO1 ZINC000582739147 491824699 /nfs/dbraw/zinc/82/46/99/491824699.db2.gz SLMCBLPQFVTFOP-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCO1 ZINC000582739147 491824700 /nfs/dbraw/zinc/82/47/00/491824700.db2.gz SLMCBLPQFVTFOP-BBWFWOEESA-N 1 3 366.506 0.299 20 0 FCADHO Cc1ncc(CN(C)C(=O)C(=O)N(CCN(C)C)CCN(C)C)s1 ZINC000582891074 491830840 /nfs/dbraw/zinc/83/08/40/491830840.db2.gz QIWGRXPCBPYSON-UHFFFAOYSA-N 1 3 355.508 0.362 20 0 FCADHO Cc1ncc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000582891074 491830841 /nfs/dbraw/zinc/83/08/41/491830841.db2.gz QIWGRXPCBPYSON-UHFFFAOYSA-N 1 3 355.508 0.362 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467616 491845498 /nfs/dbraw/zinc/84/54/98/491845498.db2.gz JLLVJOMCZZQANO-DOTOQJQBSA-N 1 3 362.518 0.943 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1=CCN(C)CC1 ZINC000583467616 491845499 /nfs/dbraw/zinc/84/54/99/491845499.db2.gz JLLVJOMCZZQANO-DOTOQJQBSA-N 1 3 362.518 0.943 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000584349042 491863555 /nfs/dbraw/zinc/86/35/55/491863555.db2.gz YYPLTPMSSWXXCL-YKTARERQSA-N 1 3 353.507 0.728 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881722 491871015 /nfs/dbraw/zinc/87/10/15/491871015.db2.gz GWKYYCKEALDNJF-GVDBMIGSSA-N 1 3 357.458 0.064 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881722 491871016 /nfs/dbraw/zinc/87/10/16/491871016.db2.gz GWKYYCKEALDNJF-GVDBMIGSSA-N 1 3 357.458 0.064 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594988523 491875407 /nfs/dbraw/zinc/87/54/07/491875407.db2.gz OLCTZJJBZCHXQR-DLBZAZTESA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594988523 491875410 /nfs/dbraw/zinc/87/54/10/491875410.db2.gz OLCTZJJBZCHXQR-DLBZAZTESA-N 1 3 365.522 0.713 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612444576 491917974 /nfs/dbraw/zinc/91/79/74/491917974.db2.gz NRFKEZJKGLGXJS-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612444576 491917975 /nfs/dbraw/zinc/91/79/75/491917975.db2.gz NRFKEZJKGLGXJS-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612776356 491950333 /nfs/dbraw/zinc/95/03/33/491950333.db2.gz KFXFELJQNITOQS-KRWDZBQOSA-N 1 3 350.507 0.825 20 0 FCADHO COC(=O)c1cn(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000601962764 491955942 /nfs/dbraw/zinc/95/59/42/491955942.db2.gz APFKEBXLXNQKNR-GOSISDBHSA-N 1 3 359.430 0.291 20 0 FCADHO COC(=O)c1cn(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000601962764 491955946 /nfs/dbraw/zinc/95/59/46/491955946.db2.gz APFKEBXLXNQKNR-GOSISDBHSA-N 1 3 359.430 0.291 20 0 FCADHO C[C@@H](CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)[NH+](C)C ZINC000612908816 491958256 /nfs/dbraw/zinc/95/82/56/491958256.db2.gz PLCJUQYEFYTNJJ-LSDHHAIUSA-N 1 3 363.510 0.658 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000595966484 491966427 /nfs/dbraw/zinc/96/64/27/491966427.db2.gz HHCINSWSKJRTPU-KCPJHIHWSA-N 1 3 355.385 0.807 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])Cc3cccc(OC)c3)C2)CC1 ZINC000602506784 491990425 /nfs/dbraw/zinc/99/04/25/491990425.db2.gz PKKWJWROHMUDCQ-HKUYNNGSSA-N 1 3 360.502 0.803 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000597430358 492037873 /nfs/dbraw/zinc/03/78/73/492037873.db2.gz KCIVEHUZGHYGFC-OAHLLOKOSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000597430358 492037875 /nfs/dbraw/zinc/03/78/75/492037875.db2.gz KCIVEHUZGHYGFC-OAHLLOKOSA-N 1 3 353.511 0.570 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000606705024 492127689 /nfs/dbraw/zinc/12/76/89/492127689.db2.gz QSIKATYQYZWJQA-QGZVFWFLSA-N 1 3 354.495 0.461 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000608690874 492187129 /nfs/dbraw/zinc/18/71/29/492187129.db2.gz OXAVQUTWGURNNA-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000608690874 492187133 /nfs/dbraw/zinc/18/71/33/492187133.db2.gz OXAVQUTWGURNNA-MRXNPFEDSA-N 1 3 365.522 0.844 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618308246 492222007 /nfs/dbraw/zinc/22/20/07/492222007.db2.gz CLOUPBFLXPAGEA-SFHVURJKSA-N 1 3 360.502 0.987 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618308246 492222009 /nfs/dbraw/zinc/22/20/09/492222009.db2.gz CLOUPBFLXPAGEA-SFHVURJKSA-N 1 3 360.502 0.987 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627428670 492291833 /nfs/dbraw/zinc/29/18/33/492291833.db2.gz LKFCOTDINPSOGP-FRRDWIJNSA-N 1 3 364.412 0.573 20 0 FCADHO CN(C)CCN1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000654407780 492299447 /nfs/dbraw/zinc/29/94/47/492299447.db2.gz SRHIWJNEUITZOD-KRWDZBQOSA-N 1 3 354.564 0.910 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642330580 492352158 /nfs/dbraw/zinc/35/21/58/492352158.db2.gz XMEWSCHSTRGIKX-QEOTZNIISA-N 1 3 350.507 0.679 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)C[C@H]3C)CC2)CC1 ZINC000654831866 492357898 /nfs/dbraw/zinc/35/78/98/492357898.db2.gz OPROFEFTORYNPX-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793347 492362617 /nfs/dbraw/zinc/36/26/17/492362617.db2.gz USBHJARTNUUKBZ-BHYGNILZSA-N 1 3 367.515 0.777 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2cccc3c2CCNC3)nn1 ZINC000647802659 492362806 /nfs/dbraw/zinc/36/28/06/492362806.db2.gz SAYVJFNEQVWJHC-WMLDXEAASA-N 1 3 356.430 0.264 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)CC1 ZINC000654867216 492365371 /nfs/dbraw/zinc/36/53/71/492365371.db2.gz KAGCFVOFJBYBST-KRWDZBQOSA-N 1 3 363.506 0.419 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654945765 492382481 /nfs/dbraw/zinc/38/24/81/492382481.db2.gz DRDVNGVPEHBARI-HZPDHXFCSA-N 1 3 362.478 0.516 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642732921 492382705 /nfs/dbraw/zinc/38/27/05/492382705.db2.gz CLJZKHDRVBCNGP-PKOBYXMFSA-N 1 3 370.497 0.761 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000654947962 492383715 /nfs/dbraw/zinc/38/37/15/492383715.db2.gz XDHIXLRJUIBUCS-GJZGRUSLSA-N 1 3 362.478 0.516 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975856 492389387 /nfs/dbraw/zinc/38/93/87/492389387.db2.gz GXWNFOMBLPUSIA-DLBZAZTESA-N 1 3 350.507 0.825 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975859 492389668 /nfs/dbraw/zinc/38/96/68/492389668.db2.gz GXWNFOMBLPUSIA-SJORKVTESA-N 1 3 350.507 0.825 20 0 FCADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977331 492390612 /nfs/dbraw/zinc/39/06/12/492390612.db2.gz AAABHPVMUQXVSN-LSDHHAIUSA-N 1 3 355.508 0.410 20 0 FCADHO CCN1CC[C@@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1=O ZINC000655064295 492397811 /nfs/dbraw/zinc/39/78/11/492397811.db2.gz UQYKDFKZTSQHAY-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000642902140 492399216 /nfs/dbraw/zinc/39/92/16/492399216.db2.gz LCFKLKGPOQSBTC-ZWKOTPCHSA-N 1 3 358.486 0.835 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642902297 492399268 /nfs/dbraw/zinc/39/92/68/492399268.db2.gz OYJYOMUMBGLMNP-ROUUACIJSA-N 1 3 358.486 0.978 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)o1 ZINC000642906265 492400737 /nfs/dbraw/zinc/40/07/37/492400737.db2.gz CRVRUOJPYLBPOK-OAHLLOKOSA-N 1 3 350.463 0.737 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655447840 492443934 /nfs/dbraw/zinc/44/39/34/492443934.db2.gz HBMZGKGGQPTARZ-PXNSSMCTSA-N 1 3 358.486 0.984 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030447 492445242 /nfs/dbraw/zinc/44/52/42/492445242.db2.gz WLSOUNYUPQHWIY-CRAIPNDOSA-N 1 3 364.515 0.978 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)Cc1ccco1 ZINC000622031797 492445750 /nfs/dbraw/zinc/44/57/50/492445750.db2.gz UGVFZJBQSXEAAV-BEFAXECRSA-N 1 3 362.474 0.900 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643524387 492490218 /nfs/dbraw/zinc/49/02/18/492490218.db2.gz RJLPUNHFSVURHN-UHFFFAOYSA-N 1 3 352.504 0.978 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000643531721 492491383 /nfs/dbraw/zinc/49/13/83/492491383.db2.gz ARWBCGPVYHTOTA-NXHRZFHOSA-N 1 3 358.486 0.915 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643544150 492495313 /nfs/dbraw/zinc/49/53/13/492495313.db2.gz RMAZXDWZFGIZIB-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000643545302 492495988 /nfs/dbraw/zinc/49/59/88/492495988.db2.gz XKTCRTDNKNHFSY-XDNAFOTISA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656022775 492520160 /nfs/dbraw/zinc/52/01/60/492520160.db2.gz LVOQNTMOKWNGEL-XQLPTFJDSA-N 1 3 352.479 0.349 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656022775 492520163 /nfs/dbraw/zinc/52/01/63/492520163.db2.gz LVOQNTMOKWNGEL-XQLPTFJDSA-N 1 3 352.479 0.349 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC000649344183 492540399 /nfs/dbraw/zinc/54/03/99/492540399.db2.gz CCPZNVDUPZHKHX-CVEARBPZSA-N 1 3 354.495 0.286 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649352752 492546539 /nfs/dbraw/zinc/54/65/39/492546539.db2.gz IHCHIGPJLYMSPY-MNZLEMJZSA-N 1 3 358.486 0.741 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCSC1 ZINC000656299371 492577806 /nfs/dbraw/zinc/57/78/06/492577806.db2.gz RGVHJKHMBUNZJP-RKVPGOIHSA-N 1 3 368.547 0.673 20 0 FCADHO CC[NH+](CC)CCOc1ccc(CNc2nc(N)nc(N)n2)cc1OC ZINC000623873589 492603381 /nfs/dbraw/zinc/60/33/81/492603381.db2.gz MAIFZELQNBLHGE-UHFFFAOYSA-N 1 3 361.450 0.460 20 0 FCADHO CC(C)[NH+](CCNC(=O)C1CCN(c2nc(N)nc(N)n2)CC1)C(C)C ZINC000623895319 492604694 /nfs/dbraw/zinc/60/46/94/492604694.db2.gz NPNKNJQVQCACRP-UHFFFAOYSA-N 1 3 364.498 0.148 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656353976 492608817 /nfs/dbraw/zinc/60/88/17/492608817.db2.gz ADUFPUJHPWUVBU-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359333 492613738 /nfs/dbraw/zinc/61/37/38/492613738.db2.gz OUEBTLFRKWJBCN-ROUUACIJSA-N 1 3 371.485 0.863 20 0 FCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185033 492787226 /nfs/dbraw/zinc/78/72/26/492787226.db2.gz DWQSTOFUBYNZFZ-WMZOPIPTSA-N 1 3 360.502 0.891 20 0 FCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185033 492787227 /nfs/dbraw/zinc/78/72/27/492787227.db2.gz DWQSTOFUBYNZFZ-WMZOPIPTSA-N 1 3 360.502 0.891 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC000644648632 492796299 /nfs/dbraw/zinc/79/62/99/492796299.db2.gz UKSRJSMNEFWVCQ-JFIYKMOQSA-N 1 3 366.506 0.582 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870639 492806461 /nfs/dbraw/zinc/80/64/61/492806461.db2.gz OWCDFNYTTSKBDC-QGZVFWFLSA-N 1 3 373.501 0.921 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870639 492806466 /nfs/dbraw/zinc/80/64/66/492806466.db2.gz OWCDFNYTTSKBDC-QGZVFWFLSA-N 1 3 373.501 0.921 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000657870155 492806811 /nfs/dbraw/zinc/80/68/11/492806811.db2.gz DXFWTCHAISJBSO-AEFFLSMTSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000657870155 492806815 /nfs/dbraw/zinc/80/68/15/492806815.db2.gz DXFWTCHAISJBSO-AEFFLSMTSA-N 1 3 371.485 0.673 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000651845315 492833684 /nfs/dbraw/zinc/83/36/84/492833684.db2.gz IWYBKYUSDOYBDC-HNNXBMFYSA-N 1 3 350.467 0.324 20 0 FCADHO CN1CCC(O)(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637668334 492856386 /nfs/dbraw/zinc/85/63/86/492856386.db2.gz CKZRTBPSCUTXGY-UHFFFAOYSA-N 1 3 350.467 0.728 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CCO1 ZINC000637868237 492872450 /nfs/dbraw/zinc/87/24/50/492872450.db2.gz WFVAKIKUUHATTH-LRDDRELGSA-N 1 3 361.446 0.492 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652144802 492886086 /nfs/dbraw/zinc/88/60/86/492886086.db2.gz UBSJXBDYSXOFSV-FCEWJHQRSA-N 1 3 365.522 0.700 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000631935878 492890913 /nfs/dbraw/zinc/89/09/13/492890913.db2.gz OHGVAXJADMKWKB-MRXNPFEDSA-N 1 3 356.467 0.701 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000638084399 492901977 /nfs/dbraw/zinc/90/19/77/492901977.db2.gz LDNMWKWVRPSLAL-UHFFFAOYSA-N 1 3 360.502 0.929 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652347674 492913399 /nfs/dbraw/zinc/91/33/99/492913399.db2.gz JHGMVRDZTNKOSJ-DKIMLUQUSA-N 1 3 366.506 0.284 20 0 FCADHO O=C(CN1CC[NH2+]CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000638137995 492915209 /nfs/dbraw/zinc/91/52/09/492915209.db2.gz SGTXOCFIKVBBOH-UHFFFAOYSA-N 1 3 359.518 0.216 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000652463672 492939858 /nfs/dbraw/zinc/93/98/58/492939858.db2.gz PPPLWIGDOKVCIT-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000652463672 492939862 /nfs/dbraw/zinc/93/98/62/492939862.db2.gz PPPLWIGDOKVCIT-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cc1 ZINC000638526543 492958389 /nfs/dbraw/zinc/95/83/89/492958389.db2.gz MHSUIIKIXOSJOX-UHFFFAOYSA-N 1 3 361.490 0.600 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000652624762 492972853 /nfs/dbraw/zinc/97/28/53/492972853.db2.gz OAQFGHCLUWZFQH-QGZVFWFLSA-N 1 3 372.473 0.980 20 0 FCADHO CC(C)(O)CN1CCC([NH2+]CCNS(=O)(=O)c2cccnc2)CC1 ZINC000638786662 492978321 /nfs/dbraw/zinc/97/83/21/492978321.db2.gz UTUNZVFVMWBQQQ-UHFFFAOYSA-N 1 3 356.492 0.185 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836002 492981769 /nfs/dbraw/zinc/98/17/69/492981769.db2.gz PPMHQOKZLIDERA-WDYCEAGBSA-N 1 3 360.502 0.970 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836002 492981771 /nfs/dbraw/zinc/98/17/71/492981771.db2.gz PPMHQOKZLIDERA-WDYCEAGBSA-N 1 3 360.502 0.970 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652668488 492983132 /nfs/dbraw/zinc/98/31/32/492983132.db2.gz BNCOEJHQNPEDEW-OAHLLOKOSA-N 1 3 354.495 0.109 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645855223 492983178 /nfs/dbraw/zinc/98/31/78/492983178.db2.gz RAFJZXRFMZRNGI-BBWFWOEESA-N 1 3 350.507 0.681 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903946 492985411 /nfs/dbraw/zinc/98/54/11/492985411.db2.gz JGDQJSSBMOPPAU-AEFFLSMTSA-N 1 3 369.473 0.817 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903946 492985415 /nfs/dbraw/zinc/98/54/15/492985415.db2.gz JGDQJSSBMOPPAU-AEFFLSMTSA-N 1 3 369.473 0.817 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652674407 492985851 /nfs/dbraw/zinc/98/58/51/492985851.db2.gz VSTKSDZSFSLTJR-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000652679753 492987266 /nfs/dbraw/zinc/98/72/66/492987266.db2.gz MQEHJIHPBCSPIB-HRCADAONSA-N 1 3 366.506 0.332 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652730696 493008543 /nfs/dbraw/zinc/00/85/43/493008543.db2.gz MDTWQIJOFXONER-GVDBMIGSSA-N 1 3 368.522 0.530 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771407 493046714 /nfs/dbraw/zinc/04/67/14/493046714.db2.gz VYVXSEICNUXHMT-FUHWJXTLSA-N 1 3 353.507 0.887 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000658778978 493052504 /nfs/dbraw/zinc/05/25/04/493052504.db2.gz QONPMYUGKPDRFL-AWEZNQCLSA-N 1 3 362.478 0.689 20 0 FCADHO CN(C)CCn1c2cc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)ccc2oc1=O ZINC000653114604 493072608 /nfs/dbraw/zinc/07/26/08/493072608.db2.gz NZUAOTNXDIAAFR-SGTLLEGYSA-N 1 3 360.414 0.331 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653125094 493076158 /nfs/dbraw/zinc/07/61/58/493076158.db2.gz SLZJPCVCFGIJHX-LJQANCHMSA-N 1 3 361.534 0.719 20 0 FCADHO O=C(NCC1C[NH2+]C1)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000640246453 493089824 /nfs/dbraw/zinc/08/98/24/493089824.db2.gz PMAMVBPLWMRRCT-LJQANCHMSA-N 1 3 357.502 0.808 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000653389193 493113611 /nfs/dbraw/zinc/11/36/11/493113611.db2.gz WEYYSRSJCDCSBK-UHFFFAOYSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@H]1CN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCN(C2CCC2)C1 ZINC000627233322 493113982 /nfs/dbraw/zinc/11/39/82/493113982.db2.gz DVBIJUBAHKRXNT-PBHICJAKSA-N 1 3 361.494 0.828 20 0 FCADHO NC[C@@H]1c2ccccc2CCN1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627234656 493114381 /nfs/dbraw/zinc/11/43/81/493114381.db2.gz KCXPUCRKZCNETN-NVXWUHKLSA-N 1 3 355.446 0.580 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258986 493120989 /nfs/dbraw/zinc/12/09/89/493120989.db2.gz KHOVYLVIEOKUOO-NSHGMRRFSA-N 1 3 359.470 0.291 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258986 493120991 /nfs/dbraw/zinc/12/09/91/493120991.db2.gz KHOVYLVIEOKUOO-NSHGMRRFSA-N 1 3 359.470 0.291 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000659020584 493125862 /nfs/dbraw/zinc/12/58/62/493125862.db2.gz OAVYOIPUTLHGCF-AWEZNQCLSA-N 1 3 362.478 0.381 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000659020716 493126205 /nfs/dbraw/zinc/12/62/05/493126205.db2.gz RGMNVOWYZAERKD-UHFFFAOYSA-N 1 3 351.451 0.508 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000633117751 493133261 /nfs/dbraw/zinc/13/32/61/493133261.db2.gz FZMJRGKNUIBECO-BPQIPLTHSA-N 1 3 358.486 0.710 20 0 FCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000633117707 493133468 /nfs/dbraw/zinc/13/34/68/493133468.db2.gz FPQZIBCRMSTKAF-DZJNRPSUSA-N 1 3 356.470 0.667 20 0 FCADHO C[N@H+](CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccccc1 ZINC000659430665 493173964 /nfs/dbraw/zinc/17/39/64/493173964.db2.gz HFPIYAUILAJBAE-UHFFFAOYSA-N 1 3 358.446 0.962 20 0 FCADHO C[N@@H+](CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccccc1 ZINC000659430665 493173970 /nfs/dbraw/zinc/17/39/70/493173970.db2.gz HFPIYAUILAJBAE-UHFFFAOYSA-N 1 3 358.446 0.962 20 0 FCADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659434316 493175514 /nfs/dbraw/zinc/17/55/14/493175514.db2.gz LCXCNWTXXIFBAL-STQMWFEESA-N 1 3 350.467 0.808 20 0 FCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659436818 493178455 /nfs/dbraw/zinc/17/84/55/493178455.db2.gz ZIENBEIYQGCWDS-ZDUSSCGKSA-N 1 3 350.467 0.952 20 0 FCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659436818 493178460 /nfs/dbraw/zinc/17/84/60/493178460.db2.gz ZIENBEIYQGCWDS-ZDUSSCGKSA-N 1 3 350.467 0.952 20 0 FCADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641214251 493182136 /nfs/dbraw/zinc/18/21/36/493182136.db2.gz AYXKDEIDZSNVQM-SFHVURJKSA-N 1 3 355.446 0.475 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627392652 493199531 /nfs/dbraw/zinc/19/95/31/493199531.db2.gz BCJYJSAJGJJKSJ-QWHCGFSZSA-N 1 3 366.428 0.820 20 0 FCADHO CN1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659566337 493213605 /nfs/dbraw/zinc/21/36/05/493213605.db2.gz JPXVJAANTFTGSD-GOSISDBHSA-N 1 3 360.506 0.578 20 0 FCADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589758 493217336 /nfs/dbraw/zinc/21/73/36/493217336.db2.gz BTXYQLCVBRUHNQ-IAGOWNOFSA-N 1 3 352.454 0.885 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000666770451 493224613 /nfs/dbraw/zinc/22/46/13/493224613.db2.gz APVUZFUCYJTJKC-INIZCTEOSA-N 1 3 358.442 0.708 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000666770451 493224618 /nfs/dbraw/zinc/22/46/18/493224618.db2.gz APVUZFUCYJTJKC-INIZCTEOSA-N 1 3 358.442 0.708 20 0 FCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000666796308 493228249 /nfs/dbraw/zinc/22/82/49/493228249.db2.gz NOEIXHBEPHZOKI-GOSISDBHSA-N 1 3 373.501 0.583 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000672695131 493234410 /nfs/dbraw/zinc/23/44/10/493234410.db2.gz JKYVLQUKEFIAOL-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000672695131 493234413 /nfs/dbraw/zinc/23/44/13/493234413.db2.gz JKYVLQUKEFIAOL-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000672695472 493234490 /nfs/dbraw/zinc/23/44/90/493234490.db2.gz HLISZMHZDNVDLX-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H]([NH3+])CNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000641443782 493237029 /nfs/dbraw/zinc/23/70/29/493237029.db2.gz WDPDETFAKIZGDO-IRXDYDNUSA-N 1 3 360.506 0.972 20 0 FCADHO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666979322 493245005 /nfs/dbraw/zinc/24/50/05/493245005.db2.gz TYBWCRACPFKBGF-TVFCKZIOSA-N 1 3 366.506 0.527 20 0 FCADHO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666979322 493245006 /nfs/dbraw/zinc/24/50/06/493245006.db2.gz TYBWCRACPFKBGF-TVFCKZIOSA-N 1 3 366.506 0.527 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1C ZINC000659678412 493247324 /nfs/dbraw/zinc/24/73/24/493247324.db2.gz MDUHPLNMBXYWLB-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](CN)C1 ZINC000659679609 493248078 /nfs/dbraw/zinc/24/80/78/493248078.db2.gz MARZZUGGCLKTGV-XBVQOTNRSA-N 1 3 366.506 0.066 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1=CCN(C)CC1 ZINC000659700919 493261545 /nfs/dbraw/zinc/26/15/45/493261545.db2.gz ASKKLNDZJVNRRB-QAPCUYQASA-N 1 3 362.518 0.991 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000659708256 493266291 /nfs/dbraw/zinc/26/62/91/493266291.db2.gz NYVRKDYMMUKURQ-AWEZNQCLSA-N 1 3 354.495 0.250 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659726912 493274697 /nfs/dbraw/zinc/27/46/97/493274697.db2.gz CQSLHGKBZGHEMV-MAUKXSAKSA-N 1 3 373.501 0.606 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659729355 493276446 /nfs/dbraw/zinc/27/64/46/493276446.db2.gz QZLQMFDPYXOBTA-HUUCEWRRSA-N 1 3 361.490 0.652 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737955 493279840 /nfs/dbraw/zinc/27/98/40/493279840.db2.gz WRIBONMBNNXAQW-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659738447 493279853 /nfs/dbraw/zinc/27/98/53/493279853.db2.gz DUMYRVYEOXLAGP-QAETUUGQSA-N 1 3 366.506 0.332 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667537188 493289147 /nfs/dbraw/zinc/28/91/47/493289147.db2.gz SRLAZQKKDIXZBE-GDBMZVCRSA-N 1 3 360.458 0.906 20 0 FCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000667583944 493290757 /nfs/dbraw/zinc/29/07/57/493290757.db2.gz PZPBGYUERYQUCF-GJZGRUSLSA-N 1 3 350.438 0.888 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812646 493303090 /nfs/dbraw/zinc/30/30/90/493303090.db2.gz SIYYEHATPXBHSD-CABCVRRESA-N 1 3 362.540 0.189 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC000667812646 493303093 /nfs/dbraw/zinc/30/30/93/493303093.db2.gz SIYYEHATPXBHSD-CABCVRRESA-N 1 3 362.540 0.189 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000673337282 493318705 /nfs/dbraw/zinc/31/87/05/493318705.db2.gz FTHUDGRYDILIHL-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000673337282 493318708 /nfs/dbraw/zinc/31/87/08/493318708.db2.gz FTHUDGRYDILIHL-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)n2)CC1 ZINC000683867671 493375869 /nfs/dbraw/zinc/37/58/69/493375869.db2.gz NZMNAQGCJANEHI-HNNXBMFYSA-N 1 3 374.489 0.689 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306595 493473860 /nfs/dbraw/zinc/47/38/60/493473860.db2.gz GXJSTRIOCWUWLQ-RHSMWYFYSA-N 1 3 357.458 0.329 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CCO1 ZINC000669426357 493503069 /nfs/dbraw/zinc/50/30/69/493503069.db2.gz WKJZNWYFYMBYNV-WMLDXEAASA-N 1 3 350.463 0.885 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669444090 493504312 /nfs/dbraw/zinc/50/43/12/493504312.db2.gz YOIJXFYDSFVNSS-PMPSAXMXSA-N 1 3 351.495 0.323 20 0 FCADHO CN1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](c2ccccc2)C1 ZINC000662382883 493511154 /nfs/dbraw/zinc/51/11/54/493511154.db2.gz CYGSERJGQYHXJK-GOSISDBHSA-N 1 3 371.489 0.345 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662387870 493511953 /nfs/dbraw/zinc/51/19/53/493511953.db2.gz MVILDFSOOJBIPK-UHFFFAOYSA-N 1 3 371.489 0.304 20 0 FCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637401 493529455 /nfs/dbraw/zinc/52/94/55/493529455.db2.gz HFWZKDRSLGRRHP-SFHVURJKSA-N 1 3 373.501 0.668 20 0 FCADHO CN(CCN1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721066 493534926 /nfs/dbraw/zinc/53/49/26/493534926.db2.gz PUAZULUPNFUFMI-RBUKOAKNSA-N 1 3 360.502 0.626 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662755495 493539187 /nfs/dbraw/zinc/53/91/87/493539187.db2.gz CFOJIKNKILHBEW-OALUTQOASA-N 1 3 360.502 0.804 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757737 493539231 /nfs/dbraw/zinc/53/92/31/493539231.db2.gz LZPQDPYRTXQDCY-OALUTQOASA-N 1 3 360.502 0.804 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000662858483 493547510 /nfs/dbraw/zinc/54/75/10/493547510.db2.gz IUWOBKKZCWLURS-QGZVFWFLSA-N 1 3 369.473 0.850 20 0 FCADHO CCN1CCC[C@H](CN(C)C(=O)[C@@H]2C[NH2+]CCOC2)[C@@H]1c1cnn(C)c1 ZINC000662863514 493547897 /nfs/dbraw/zinc/54/78/97/493547897.db2.gz HMIRUJTUUNPRRF-KBAYOESNSA-N 1 3 363.506 0.888 20 0 FCADHO O=C(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000662931027 493555963 /nfs/dbraw/zinc/55/59/63/493555963.db2.gz ZFOXGXHBULYUOC-ZWKOTPCHSA-N 1 3 362.518 0.921 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662962501 493561351 /nfs/dbraw/zinc/56/13/51/493561351.db2.gz JVEWPECAJBHEAC-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662962499 493561473 /nfs/dbraw/zinc/56/14/73/493561473.db2.gz JVEWPECAJBHEAC-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000670432820 493566217 /nfs/dbraw/zinc/56/62/17/493566217.db2.gz JBSNKWCPVDCXER-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000670432820 493566218 /nfs/dbraw/zinc/56/62/18/493566218.db2.gz JBSNKWCPVDCXER-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000670984970 493620534 /nfs/dbraw/zinc/62/05/34/493620534.db2.gz BHSIHPQBQQZPJD-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000670984970 493620536 /nfs/dbraw/zinc/62/05/36/493620536.db2.gz BHSIHPQBQQZPJD-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000671071570 493629108 /nfs/dbraw/zinc/62/91/08/493629108.db2.gz PRYLZPYSBGAQKK-RHSMWYFYSA-N 1 3 356.536 0.529 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071266 493629147 /nfs/dbraw/zinc/62/91/47/493629147.db2.gz SLJYFOODRRUUFM-KEYYUXOJSA-N 1 3 354.520 0.283 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC000671071266 493629149 /nfs/dbraw/zinc/62/91/49/493629149.db2.gz SLJYFOODRRUUFM-KEYYUXOJSA-N 1 3 354.520 0.283 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664066075 493633928 /nfs/dbraw/zinc/63/39/28/493633928.db2.gz QYADGDIJTYUILP-SJORKVTESA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664066075 493633930 /nfs/dbraw/zinc/63/39/30/493633930.db2.gz QYADGDIJTYUILP-SJORKVTESA-N 1 3 354.495 0.338 20 0 FCADHO CC(CN1C[C@@H](C)N(CCO)[C@@H](C)C1)C[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778685 493683056 /nfs/dbraw/zinc/68/30/56/493683056.db2.gz SEHDZUUCBURFCU-FGYAAKKASA-N 1 3 370.582 0.396 20 0 FCADHO CC(CN1C[C@@H](C)N(CCO)[C@@H](C)C1)C[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000664778685 493683060 /nfs/dbraw/zinc/68/30/60/493683060.db2.gz SEHDZUUCBURFCU-FGYAAKKASA-N 1 3 370.582 0.396 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000671849394 493708595 /nfs/dbraw/zinc/70/85/95/493708595.db2.gz DMLVVSLQJMXLLL-UHFFFAOYSA-N 1 3 359.474 0.578 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000671880934 493710579 /nfs/dbraw/zinc/71/05/79/493710579.db2.gz YFPKZIKIWZLHMX-IRXDYDNUSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000671880934 493710580 /nfs/dbraw/zinc/71/05/80/493710580.db2.gz YFPKZIKIWZLHMX-IRXDYDNUSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCC(O)(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000665458595 493716087 /nfs/dbraw/zinc/71/60/87/493716087.db2.gz KSMWGDDVQSCLFI-UHFFFAOYSA-N 1 3 368.522 0.633 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011013 493724339 /nfs/dbraw/zinc/72/43/39/493724339.db2.gz BXLOKNNKFPMFPJ-NVXWUHKLSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011014 493724361 /nfs/dbraw/zinc/72/43/61/493724361.db2.gz BXLOKNNKFPMFPJ-RDJZCZTQSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000672099033 493735608 /nfs/dbraw/zinc/73/56/08/493735608.db2.gz PEXRMCDOLSFUJH-IAGOWNOFSA-N 1 3 367.538 0.071 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000672099033 493735611 /nfs/dbraw/zinc/73/56/11/493735611.db2.gz PEXRMCDOLSFUJH-IAGOWNOFSA-N 1 3 367.538 0.071 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011215 674338198 /nfs/dbraw/zinc/33/81/98/674338198.db2.gz QGDVTLAJILEDCK-CVEARBPZSA-N 1 3 354.495 0.155 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011215 674338199 /nfs/dbraw/zinc/33/81/99/674338199.db2.gz QGDVTLAJILEDCK-CVEARBPZSA-N 1 3 354.495 0.155 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419444215 536497119 /nfs/dbraw/zinc/49/71/19/536497119.db2.gz CDEYZGCGTBOKPZ-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1C ZINC000410700410 527959927 /nfs/dbraw/zinc/95/99/27/527959927.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@H]1C ZINC000410700410 527959932 /nfs/dbraw/zinc/95/99/32/527959932.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C ZINC000410700410 527959935 /nfs/dbraw/zinc/95/99/35/527959935.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 1 3 369.554 0.269 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410434819 528281814 /nfs/dbraw/zinc/28/18/14/528281814.db2.gz PELGPIXWXIELDY-IRXDYDNUSA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH+]1CCC(NC(=O)CNC2(C(N)=O)C3CC4CC(C3)CC2C4)CC1 ZINC000411821773 528979147 /nfs/dbraw/zinc/97/91/47/528979147.db2.gz OILHEDXUZYRXSQ-UHFFFAOYSA-N 1 3 362.518 0.857 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000411768902 528995444 /nfs/dbraw/zinc/99/54/44/528995444.db2.gz JICXKZWLBQGUBR-RTBURBONSA-N 1 3 353.507 0.885 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782091 529099550 /nfs/dbraw/zinc/09/95/50/529099550.db2.gz KWKNUWWHUKSMAA-HNNXBMFYSA-N 1 3 374.493 0.682 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc2ncccn2n1 ZINC000413782091 529099555 /nfs/dbraw/zinc/09/95/55/529099555.db2.gz KWKNUWWHUKSMAA-HNNXBMFYSA-N 1 3 374.493 0.682 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419132216 535069622 /nfs/dbraw/zinc/06/96/22/535069622.db2.gz DPCJBLAKSVXBBA-OAHLLOKOSA-N 1 3 350.463 0.343 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000419705455 535071593 /nfs/dbraw/zinc/07/15/93/535071593.db2.gz ZPLCBLCKADAGOE-YVSFHVDLSA-N 1 3 350.507 0.809 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419692523 535074488 /nfs/dbraw/zinc/07/44/88/535074488.db2.gz GZRBATIZOLCJSK-JKSUJKDBSA-N 1 3 354.495 0.108 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419158930 535081855 /nfs/dbraw/zinc/08/18/55/535081855.db2.gz WUHRBYVRCSAYBM-XHSDSOJGSA-N 1 3 368.522 0.700 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419158930 535081857 /nfs/dbraw/zinc/08/18/57/535081857.db2.gz WUHRBYVRCSAYBM-XHSDSOJGSA-N 1 3 368.522 0.700 20 0 FCADHO CCCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C1CC[NH2+]CC1 ZINC000419577474 535191706 /nfs/dbraw/zinc/19/17/06/535191706.db2.gz DIULAJZSXYEMHX-QGZVFWFLSA-N 1 3 356.536 0.531 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423461257 535523921 /nfs/dbraw/zinc/52/39/21/535523921.db2.gz BWACURPEWRRIDB-ZDUSSCGKSA-N 1 3 366.428 0.930 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419901586 535596617 /nfs/dbraw/zinc/59/66/17/535596617.db2.gz UICYYQUCFPQCCY-ROUUACIJSA-N 1 3 373.501 0.763 20 0 FCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1CN)CC(C)C ZINC000419128216 535669106 /nfs/dbraw/zinc/66/91/06/535669106.db2.gz VOLOYEVIKIAXGO-IXDOHACOSA-N 1 3 370.538 0.824 20 0 FCADHO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419656116 535838920 /nfs/dbraw/zinc/83/89/20/535838920.db2.gz ICQVYCAYSUMTKJ-UHFFFAOYSA-N 1 3 362.474 0.455 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799703 535877811 /nfs/dbraw/zinc/87/78/11/535877811.db2.gz CSUSQXLUERIBJR-DLBZAZTESA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799715 535880919 /nfs/dbraw/zinc/88/09/19/535880919.db2.gz CSUSQXLUERIBJR-SJORKVTESA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000419657228 535901859 /nfs/dbraw/zinc/90/18/59/535901859.db2.gz JHTMWPZDVBTNKW-MRXNPFEDSA-N 1 3 362.474 0.154 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419217284 535904393 /nfs/dbraw/zinc/90/43/93/535904393.db2.gz QHRLAKZIHNVPMB-SJORKVTESA-N 1 3 374.485 0.596 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000419758119 536368554 /nfs/dbraw/zinc/36/85/54/536368554.db2.gz DMRBOVPTZUHENX-MSOLQXFVSA-N 1 3 358.486 0.834 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419749535 536746231 /nfs/dbraw/zinc/74/62/31/536746231.db2.gz HHIGZWTYCKFAMF-ZBFHGGJFSA-N 1 3 368.522 0.720 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419753633 536746414 /nfs/dbraw/zinc/74/64/14/536746414.db2.gz OAXSKUWFHUDGSW-INIZCTEOSA-N 1 3 370.538 0.824 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420159054 546909742 /nfs/dbraw/zinc/90/97/42/546909742.db2.gz HPSBREKJGXYKQO-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911658 547114841 /nfs/dbraw/zinc/11/48/41/547114841.db2.gz UERQHEBOYJDOCI-YOEHRIQHSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000553023439 547246663 /nfs/dbraw/zinc/24/66/63/547246663.db2.gz REMGQYCAJTXKKK-QGZVFWFLSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000553039090 547249098 /nfs/dbraw/zinc/24/90/98/547249098.db2.gz FYUAARCPHGREJX-AWEZNQCLSA-N 1 3 354.495 0.155 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCCNC3=O)CC2)CC1 ZINC000553555837 547288213 /nfs/dbraw/zinc/28/82/13/547288213.db2.gz COGVKFGIRVSOOS-QGZVFWFLSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356762 547337330 /nfs/dbraw/zinc/33/73/30/547337330.db2.gz WFSRYXHSJOVMKG-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356762 547337334 /nfs/dbraw/zinc/33/73/34/547337334.db2.gz WFSRYXHSJOVMKG-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000950256374 674423489 /nfs/dbraw/zinc/42/34/89/674423489.db2.gz WMVDRQQNNYPYDV-IXDOHACOSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000950256374 674423490 /nfs/dbraw/zinc/42/34/90/674423490.db2.gz WMVDRQQNNYPYDV-IXDOHACOSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736771020 598519948 /nfs/dbraw/zinc/51/99/48/598519948.db2.gz GVYZGLKTXDBLQD-HNNXBMFYSA-N 1 3 367.461 0.956 20 0 FCADHO C[NH+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736771020 598519949 /nfs/dbraw/zinc/51/99/49/598519949.db2.gz GVYZGLKTXDBLQD-HNNXBMFYSA-N 1 3 367.461 0.956 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000953978639 674487395 /nfs/dbraw/zinc/48/73/95/674487395.db2.gz XGNCSMVWCGOTPV-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000953978639 674487397 /nfs/dbraw/zinc/48/73/97/674487397.db2.gz XGNCSMVWCGOTPV-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000954412749 674497002 /nfs/dbraw/zinc/49/70/02/674497002.db2.gz NEDYVTCQFCMEEZ-BHYGNILZSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000954412749 674497006 /nfs/dbraw/zinc/49/70/06/674497006.db2.gz NEDYVTCQFCMEEZ-BHYGNILZSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000954413269 674497142 /nfs/dbraw/zinc/49/71/42/674497142.db2.gz XDHCPGNKCAUHOI-BHYGNILZSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000954413269 674497144 /nfs/dbraw/zinc/49/71/44/674497144.db2.gz XDHCPGNKCAUHOI-BHYGNILZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552452 674545826 /nfs/dbraw/zinc/54/58/26/674545826.db2.gz PVCAYAOOXDNDEY-OWCLPIDISA-N 1 3 350.507 0.905 20 0 FCADHO C[C@@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552452 674545829 /nfs/dbraw/zinc/54/58/29/674545829.db2.gz PVCAYAOOXDNDEY-OWCLPIDISA-N 1 3 350.507 0.905 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000989231251 665720886 /nfs/dbraw/zinc/72/08/86/665720886.db2.gz UPQUGONQZWNYFP-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000989231251 665720890 /nfs/dbraw/zinc/72/08/90/665720890.db2.gz UPQUGONQZWNYFP-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897593432 665742847 /nfs/dbraw/zinc/74/28/47/665742847.db2.gz HOJBFCADURUZFY-OAHLLOKOSA-N 1 3 351.491 0.809 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000891513855 663410914 /nfs/dbraw/zinc/41/09/14/663410914.db2.gz IALMBCGLEWTSHY-YVECIDJPSA-N 1 3 350.385 0.628 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000891968949 663458976 /nfs/dbraw/zinc/45/89/76/663458976.db2.gz ZKMRUCPVIJXWRG-UHFFFAOYSA-N 1 3 351.495 0.644 20 0 FCADHO CCS(=O)(=O)NC1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000903009380 665982617 /nfs/dbraw/zinc/98/26/17/665982617.db2.gz HGSWBASIOMPUSL-UHFFFAOYSA-N 1 3 360.568 0.806 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC000972990558 664036905 /nfs/dbraw/zinc/03/69/05/664036905.db2.gz YHKXZBSAHGPTLN-BRWVUGGUSA-N 1 3 350.507 0.728 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974186296 664227271 /nfs/dbraw/zinc/22/72/71/664227271.db2.gz HHPFZKCFXJUPGY-NQNKBUKLSA-N 1 3 350.507 0.964 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974186296 664227274 /nfs/dbraw/zinc/22/72/74/664227274.db2.gz HHPFZKCFXJUPGY-NQNKBUKLSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000979871042 664464928 /nfs/dbraw/zinc/46/49/28/664464928.db2.gz FUNOBQATRRXVDC-WRQOLXDDSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000979871042 664464930 /nfs/dbraw/zinc/46/49/30/664464930.db2.gz FUNOBQATRRXVDC-WRQOLXDDSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](O)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184342 664815573 /nfs/dbraw/zinc/81/55/73/664815573.db2.gz GOAQVMRMWDLMJI-NXHRZFHOSA-N 1 3 353.507 0.648 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001028551889 664902417 /nfs/dbraw/zinc/90/24/17/664902417.db2.gz AVAUJHGBKYSMMW-OWCLPIDISA-N 1 3 351.495 0.180 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001028551889 664902421 /nfs/dbraw/zinc/90/24/21/664902421.db2.gz AVAUJHGBKYSMMW-OWCLPIDISA-N 1 3 351.495 0.180 20 0 FCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000911336796 666335122 /nfs/dbraw/zinc/33/51/22/666335122.db2.gz NNNWICWKFRSMIH-JKSUJKDBSA-N 1 3 352.479 0.004 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911561475 666366392 /nfs/dbraw/zinc/36/63/92/666366392.db2.gz HAQDSBWKUORQLJ-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994041153 666959813 /nfs/dbraw/zinc/95/98/13/666959813.db2.gz XSBBQQLYOXSAJD-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994041153 666959816 /nfs/dbraw/zinc/95/98/16/666959816.db2.gz XSBBQQLYOXSAJD-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000916843093 667032730 /nfs/dbraw/zinc/03/27/30/667032730.db2.gz TVHTYJBJCUTVSV-IXDOHACOSA-N 1 3 352.479 0.402 20 0 FCADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000916843093 667032735 /nfs/dbraw/zinc/03/27/35/667032735.db2.gz TVHTYJBJCUTVSV-IXDOHACOSA-N 1 3 352.479 0.402 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001005408314 667739864 /nfs/dbraw/zinc/73/98/64/667739864.db2.gz WUGQYXJGKKBUJS-GDBMZVCRSA-N 1 3 351.495 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001005408314 667739867 /nfs/dbraw/zinc/73/98/67/667739867.db2.gz WUGQYXJGKKBUJS-GDBMZVCRSA-N 1 3 351.495 0.275 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006187322 667856684 /nfs/dbraw/zinc/85/66/84/667856684.db2.gz OWVRFDMRYCFXKM-SQWLQELKSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006187322 667856688 /nfs/dbraw/zinc/85/66/88/667856688.db2.gz OWVRFDMRYCFXKM-SQWLQELKSA-N 1 3 350.507 0.774 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN(CCC(=O)OC)C2CCOCC2)CC1 ZINC000743872108 668053080 /nfs/dbraw/zinc/05/30/80/668053080.db2.gz HYGYXMSZVOZDGZ-UHFFFAOYSA-N 1 3 355.479 0.631 20 0 FCADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820810474 669130769 /nfs/dbraw/zinc/13/07/69/669130769.db2.gz XLLJEFGHBYMLAF-ZIAGYGMSSA-N 1 3 353.488 0.938 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000822610194 669280974 /nfs/dbraw/zinc/28/09/74/669280974.db2.gz HVAIZQOONFHZKU-QGZVFWFLSA-N 1 3 352.523 0.772 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000830509976 669788837 /nfs/dbraw/zinc/78/88/37/669788837.db2.gz DXWDJBRUPWFWGN-MRXNPFEDSA-N 1 3 354.495 0.202 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000830509976 669788840 /nfs/dbraw/zinc/78/88/40/669788840.db2.gz DXWDJBRUPWFWGN-MRXNPFEDSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCCCC1 ZINC000842014536 670625839 /nfs/dbraw/zinc/62/58/39/670625839.db2.gz CLNIVPMENDZSKB-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852063884 671484577 /nfs/dbraw/zinc/48/45/77/671484577.db2.gz SZBWARRHIFKCGG-GVDBMIGSSA-N 1 3 352.479 0.402 20 0 FCADHO C[N@H+](C[C@@H](O)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174254 671492332 /nfs/dbraw/zinc/49/23/32/671492332.db2.gz XXLLHKJMDFNVPK-HNNXBMFYSA-N 1 3 357.495 0.793 20 0 FCADHO C[N@@H+](C[C@@H](O)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852174254 671492334 /nfs/dbraw/zinc/49/23/34/671492334.db2.gz XXLLHKJMDFNVPK-HNNXBMFYSA-N 1 3 357.495 0.793 20 0 FCADHO C[C@@H]1CN(CC[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)C[C@H](C)O1 ZINC000880253441 673183685 /nfs/dbraw/zinc/18/36/85/673183685.db2.gz PSYAJZJLKKYOCF-CALCHBBNSA-N 1 3 352.523 0.901 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnc1Cl ZINC000130532264 673361190 /nfs/dbraw/zinc/36/11/90/673361190.db2.gz HLWCYHSFTXINOZ-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884577901 673463497 /nfs/dbraw/zinc/46/34/97/673463497.db2.gz OGHOASIVFYVTME-LPHOPBHVSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CCSC1 ZINC000884612107 673465996 /nfs/dbraw/zinc/46/59/96/673465996.db2.gz DGGYWLQVFQPNSR-QGZVFWFLSA-N 1 3 356.536 0.660 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612498 673466042 /nfs/dbraw/zinc/46/60/42/673466042.db2.gz MSTXPVVHFSNJHU-DYVFJYSZSA-N 1 3 356.536 0.434 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000884631479 673468052 /nfs/dbraw/zinc/46/80/52/673468052.db2.gz LRKOBSNBOPMSBH-JHJVBQTASA-N 1 3 362.396 0.183 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884664670 673470608 /nfs/dbraw/zinc/47/06/08/673470608.db2.gz RPRDFGWIGAEPMW-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884786338 673482390 /nfs/dbraw/zinc/48/23/90/673482390.db2.gz OCTIWDCXWLFYAO-UONOGXRCSA-N 1 3 360.449 0.584 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000885275427 673511072 /nfs/dbraw/zinc/51/10/72/673511072.db2.gz FCSHOMGZZQYXIA-UONOGXRCSA-N 1 3 358.433 0.434 20 0 FCADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000924383670 673751548 /nfs/dbraw/zinc/75/15/48/673751548.db2.gz IUXASWDMVIEVJK-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926355918 673826279 /nfs/dbraw/zinc/82/62/79/673826279.db2.gz BLEXOYGUJVMDBJ-HNNXBMFYSA-N 1 3 360.568 0.662 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN(C)C3CCC3)CC2)CC[N@@H+]1C ZINC001011211422 675377422 /nfs/dbraw/zinc/37/74/22/675377422.db2.gz WZOKFVQZZPLOKR-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN(C)C3CCC3)CC2)CC[N@H+]1C ZINC001011211422 675377425 /nfs/dbraw/zinc/37/74/25/675377425.db2.gz WZOKFVQZZPLOKR-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CN(C)CCN1C ZINC000900805742 675718308 /nfs/dbraw/zinc/71/83/08/675718308.db2.gz QERVLAMKDXAPRT-DLBZAZTESA-N 1 3 352.523 0.772 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001671298339 1169371400 /nfs/dbraw/zinc/37/14/00/1169371400.db2.gz QHUJDEVGXUJQKM-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001671298339 1169371407 /nfs/dbraw/zinc/37/14/07/1169371407.db2.gz QHUJDEVGXUJQKM-DJIMGWMZSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC001022217492 1170765113 /nfs/dbraw/zinc/76/51/13/1170765113.db2.gz OECIKRULELPGBF-GVDBMIGSSA-N 1 3 362.518 0.728 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001691223633 1170866193 /nfs/dbraw/zinc/86/61/93/1170866193.db2.gz MJUAVDNMRMNNPD-ZNMIVQPWSA-N 1 3 367.494 0.189 20 0 FCADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](NCc2nncs2)C1 ZINC001691268304 1171003133 /nfs/dbraw/zinc/00/31/33/1171003133.db2.gz JRVVGRZNDRVMML-SOUVJXGZSA-N 1 3 367.519 0.881 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCc2cncs2)cn1 ZINC001691283642 1171032155 /nfs/dbraw/zinc/03/21/55/1171032155.db2.gz JBMHATDLVCBGOQ-JKSUJKDBSA-N 1 3 362.503 0.913 20 0 FCADHO CN1CCN(CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1(C)C ZINC000891880684 1171039239 /nfs/dbraw/zinc/03/92/39/1171039239.db2.gz MCQSIYVSESADFR-INIZCTEOSA-N 1 3 367.538 0.470 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001691384598 1171253344 /nfs/dbraw/zinc/25/33/44/1171253344.db2.gz YCBOIFZGTFNDEC-KFWWJZLASA-N 1 3 369.510 0.387 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC001022719754 1171811401 /nfs/dbraw/zinc/81/14/01/1171811401.db2.gz BHOZCYMLENRYMP-RYQLBKOJSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(N1CCO[C@@H]2CN(CCC3CCOCC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249433 1172021825 /nfs/dbraw/zinc/02/18/25/1172021825.db2.gz FBTFGIOKQCLINI-ZWKOTPCHSA-N 1 3 363.502 0.811 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000897669441 1192840477 /nfs/dbraw/zinc/84/04/77/1192840477.db2.gz UQTBWLGQSOYNQG-DOTOQJQBSA-N 1 3 371.485 0.719 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000898005881 1192853559 /nfs/dbraw/zinc/85/35/59/1192853559.db2.gz KVDNNSFZTLMYMB-IIDMSEBBSA-N 1 3 371.485 0.718 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000898129010 1192859181 /nfs/dbraw/zinc/85/91/81/1192859181.db2.gz XLDKRAMZYLXTQH-HZPDHXFCSA-N 1 3 359.474 0.719 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000427030277 1178880178 /nfs/dbraw/zinc/88/01/78/1178880178.db2.gz YHCFESDPPBGHMZ-AWEZNQCLSA-N 1 3 364.494 0.357 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000972606745 1179966833 /nfs/dbraw/zinc/96/68/33/1179966833.db2.gz BFKRAWJYNXNJLE-NVXWUHKLSA-N 1 3 359.474 0.888 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CC1 ZINC000972644726 1180165471 /nfs/dbraw/zinc/16/54/71/1180165471.db2.gz QTPNIOYZRVOTNI-BRWVUGGUSA-N 1 3 360.502 0.482 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738769 1180688263 /nfs/dbraw/zinc/68/82/63/1180688263.db2.gz GVUIGTSZNRKCCA-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC000972738769 1180688284 /nfs/dbraw/zinc/68/82/84/1180688284.db2.gz GVUIGTSZNRKCCA-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)C2(C[NH+](C)C)CC2)C3)nn1 ZINC001112518342 1180836059 /nfs/dbraw/zinc/83/60/59/1180836059.db2.gz DNRUBTHGCJUVPE-KXBFYZLASA-N 1 3 360.506 0.875 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)C2)C1 ZINC000892520712 1181713682 /nfs/dbraw/zinc/71/36/82/1181713682.db2.gz RYXQHOMMHSOYEP-LJQANCHMSA-N 1 3 369.473 0.963 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)C2)C1 ZINC000892520712 1181713690 /nfs/dbraw/zinc/71/36/90/1181713690.db2.gz RYXQHOMMHSOYEP-LJQANCHMSA-N 1 3 369.473 0.963 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001104641337 1182326196 /nfs/dbraw/zinc/32/61/96/1182326196.db2.gz LUKOIBNMNBZZOE-BRWVUGGUSA-N 1 3 367.538 0.672 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892789600 1182507441 /nfs/dbraw/zinc/50/74/41/1182507441.db2.gz QSPLEWHITACAAC-IRXDYDNUSA-N 1 3 359.474 0.197 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCOCC)C1 ZINC001104938625 1183012694 /nfs/dbraw/zinc/01/26/94/1183012694.db2.gz YGXSJNFOUWOIDL-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211695081 1186212919 /nfs/dbraw/zinc/21/29/19/1186212919.db2.gz JMKGQSZLPULNII-RBUKOAKNSA-N 1 3 363.502 0.921 20 0 FCADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373030 1187694557 /nfs/dbraw/zinc/69/45/57/1187694557.db2.gz OXLDQJNEIPNCFG-QRVBRYPASA-N 1 3 359.470 0.515 20 0 FCADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373030 1187694569 /nfs/dbraw/zinc/69/45/69/1187694569.db2.gz OXLDQJNEIPNCFG-QRVBRYPASA-N 1 3 359.470 0.515 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)N1CCCC1 ZINC001270491753 1188173040 /nfs/dbraw/zinc/17/30/40/1188173040.db2.gz XLEWSCBUQMTSDG-KXBFYZLASA-N 1 3 364.490 0.400 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001270667347 1188246902 /nfs/dbraw/zinc/24/69/02/1188246902.db2.gz KVRRUPANEZHTBD-FHWLQOOXSA-N 1 3 360.502 0.802 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087797606 1189827907 /nfs/dbraw/zinc/82/79/07/1189827907.db2.gz YGVYDMCSWRYAMS-OWCLPIDISA-N 1 3 364.490 0.446 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087797606 1189827908 /nfs/dbraw/zinc/82/79/08/1189827908.db2.gz YGVYDMCSWRYAMS-OWCLPIDISA-N 1 3 364.490 0.446 20 0 FCADHO CC(C)(O)CN1CCC([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000895686312 1189874389 /nfs/dbraw/zinc/87/43/89/1189874389.db2.gz RCILHPLYWGNBJI-IBGZPJMESA-N 1 3 368.566 0.608 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895851934 1189887751 /nfs/dbraw/zinc/88/77/51/1189887751.db2.gz ZVHGOCDERJUIFW-KZNAEPCWSA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895851934 1189887755 /nfs/dbraw/zinc/88/77/55/1189887755.db2.gz ZVHGOCDERJUIFW-KZNAEPCWSA-N 1 3 366.506 0.480 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908956 1189895335 /nfs/dbraw/zinc/89/53/35/1189895335.db2.gz UEHBWNPHHVMVEY-PMPSAXMXSA-N 1 3 362.474 0.010 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087908956 1189895338 /nfs/dbraw/zinc/89/53/38/1189895338.db2.gz UEHBWNPHHVMVEY-PMPSAXMXSA-N 1 3 362.474 0.010 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121369 1190616698 /nfs/dbraw/zinc/61/66/98/1190616698.db2.gz CCZFVFWIIOXQFQ-OAGGEKHMSA-N 1 3 359.474 0.649 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121369 1190616705 /nfs/dbraw/zinc/61/67/05/1190616705.db2.gz CCZFVFWIIOXQFQ-OAGGEKHMSA-N 1 3 359.474 0.649 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C[C@H]2C1)[NH+](C)C ZINC000986259441 1190935857 /nfs/dbraw/zinc/93/58/57/1190935857.db2.gz AJWLZLAQZPNKKE-XDNAFOTISA-N 1 3 364.534 0.974 20 0 FCADHO Cc1ccc2c(n[nH]c2NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218543200 1224170694 /nfs/dbraw/zinc/17/06/94/1224170694.db2.gz QQQWBLGKARGERT-KBPBESRZSA-N 1 3 373.461 0.652 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105668617 1193953396 /nfs/dbraw/zinc/95/33/96/1193953396.db2.gz XZSMQCHDSNDAIR-LTDCPUDJSA-N 1 3 368.522 0.170 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105668617 1193953401 /nfs/dbraw/zinc/95/34/01/1193953401.db2.gz XZSMQCHDSNDAIR-LTDCPUDJSA-N 1 3 368.522 0.170 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c2c1CCCC2 ZINC001218629790 1224185661 /nfs/dbraw/zinc/18/56/61/1224185661.db2.gz FUGJVUQMCCMRNW-ZFWWWQNUSA-N 1 3 362.478 0.674 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640132 1224188454 /nfs/dbraw/zinc/18/84/54/1224188454.db2.gz FOLBFCZYWHFDHS-HOTGVXAUSA-N 1 3 364.494 0.870 20 0 FCADHO COC(=O)c1cc2cc(NC(=O)[C@@H](N)CN3CCC([NH3+])CC3)cnc2[nH]1 ZINC001218671383 1224193899 /nfs/dbraw/zinc/19/38/99/1224193899.db2.gz SKOCEGFKFDAHDD-ZDUSSCGKSA-N 1 3 360.418 0.038 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC001083523456 1194145960 /nfs/dbraw/zinc/14/59/60/1194145960.db2.gz FAMNMCIHOOFAJY-QYZOEREBSA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC001083523456 1194145963 /nfs/dbraw/zinc/14/59/63/1194145963.db2.gz FAMNMCIHOOFAJY-QYZOEREBSA-N 1 3 365.518 0.981 20 0 FCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710857 1224202660 /nfs/dbraw/zinc/20/26/60/1224202660.db2.gz MYEALQPNJSFMDC-NEPJUHHUSA-N 1 3 357.418 0.580 20 0 FCADHO CC(=O)N1CCC(n2nccc2NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001218735377 1224206938 /nfs/dbraw/zinc/20/69/38/1224206938.db2.gz UOIGRGNDQJDPIG-RDTXWAMCSA-N 1 3 360.462 0.204 20 0 FCADHO N[C@@H](C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1)C1CC[NH2+]CC1 ZINC001218738376 1224208245 /nfs/dbraw/zinc/20/82/45/1224208245.db2.gz ZYURJGRSZQIULA-QGZVFWFLSA-N 1 3 358.446 0.889 20 0 FCADHO N[C@H](C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1)C1CC[NH2+]CC1 ZINC001218738375 1224208598 /nfs/dbraw/zinc/20/85/98/1224208598.db2.gz ZYURJGRSZQIULA-KRWDZBQOSA-N 1 3 358.446 0.889 20 0 FCADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076247884 1194367138 /nfs/dbraw/zinc/36/71/38/1194367138.db2.gz LBUUJTQLSXLHKC-IPMKNSEASA-N 1 3 370.497 0.826 20 0 FCADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076324780 1194393069 /nfs/dbraw/zinc/39/30/69/1194393069.db2.gz ZVZUTDYBLBJSMP-ARFHVFGLSA-N 1 3 362.474 0.056 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)cc2)CC1 ZINC001218845629 1224238702 /nfs/dbraw/zinc/23/87/02/1224238702.db2.gz FWUWEOOQDSPING-FXAWDEMLSA-N 1 3 357.502 0.714 20 0 FCADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](N)Cc2c[nH]cn2)cc1 ZINC001218855637 1224240721 /nfs/dbraw/zinc/24/07/21/1224240721.db2.gz LMRYQHCMIYHVKT-KRWDZBQOSA-N 1 3 372.473 0.990 20 0 FCADHO N[C@@H](C[NH3+])c1ccc(C(=O)Nc2ccccc2C(=O)N2CCNCC2)cc1 ZINC001218882274 1224248251 /nfs/dbraw/zinc/24/82/51/1224248251.db2.gz KVSIOAOBAQRCQR-KRWDZBQOSA-N 1 3 367.453 0.943 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919603 1224259669 /nfs/dbraw/zinc/25/96/69/1224259669.db2.gz VFZSAGJHUJWDPI-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218919603 1224259676 /nfs/dbraw/zinc/25/96/76/1224259676.db2.gz VFZSAGJHUJWDPI-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000906696656 1195650465 /nfs/dbraw/zinc/65/04/65/1195650465.db2.gz GBPOXRFGOGULHK-UHFFFAOYSA-N 1 3 359.474 0.370 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000910829190 1195850619 /nfs/dbraw/zinc/85/06/19/1195850619.db2.gz OLQWIWPLNGTXBF-DOTOQJQBSA-N 1 3 359.474 0.671 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911103987 1195890668 /nfs/dbraw/zinc/89/06/68/1195890668.db2.gz VUUAGNMSBWGLFW-HOTGVXAUSA-N 1 3 373.501 0.921 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)NC3CCCC3)CC2)CC1 ZINC000586872940 1196462501 /nfs/dbraw/zinc/46/25/01/1196462501.db2.gz XFUUVSUFKYJHHQ-UHFFFAOYSA-N 1 3 365.522 0.903 20 0 FCADHO COC(=O)C1CC[NH+](CCCNC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000592560243 1196568584 /nfs/dbraw/zinc/56/85/84/1196568584.db2.gz GYUDJEAKFJNRKA-UHFFFAOYSA-N 1 3 359.470 0.874 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960876 1196601372 /nfs/dbraw/zinc/60/13/72/1196601372.db2.gz FZDXVDACZGHGHO-HOTGVXAUSA-N 1 3 362.522 0.723 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592960878 1196601493 /nfs/dbraw/zinc/60/14/93/1196601493.db2.gz FZDXVDACZGHGHO-JKSUJKDBSA-N 1 3 362.522 0.723 20 0 FCADHO COC(=O)C1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000593737599 1196652686 /nfs/dbraw/zinc/65/26/86/1196652686.db2.gz PTMSWWJYZDPQEM-BBWFWOEESA-N 1 3 367.490 0.616 20 0 FCADHO CC1CN(C(=O)Cc2ccn(C)n2)CC1C[NH2+]CC(=O)N1CCCCC1 ZINC001106107480 1197009671 /nfs/dbraw/zinc/00/96/71/1197009671.db2.gz BPUSPHCYNBISFU-HZPDHXFCSA-N 1 3 361.490 0.659 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236212 1224396611 /nfs/dbraw/zinc/39/66/11/1224396611.db2.gz OLGWIFCUVXCCNX-VBQJREDUSA-N 1 3 359.474 0.891 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992993481 1197648072 /nfs/dbraw/zinc/64/80/72/1197648072.db2.gz PFKOORYDBYFSBX-ASKNOMKYSA-N 1 3 373.501 0.989 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992993481 1197648078 /nfs/dbraw/zinc/64/80/78/1197648078.db2.gz PFKOORYDBYFSBX-ASKNOMKYSA-N 1 3 373.501 0.989 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)C1 ZINC001085332557 1197826195 /nfs/dbraw/zinc/82/61/95/1197826195.db2.gz CNSHQIJSOVMVRD-BRWVUGGUSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1CNCc1nncn1C ZINC001106346664 1197873513 /nfs/dbraw/zinc/87/35/13/1197873513.db2.gz MUMAXUIBDNEJOG-HZPDHXFCSA-N 1 3 371.489 0.921 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1CNC[C@H](F)C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500505 1224489472 /nfs/dbraw/zinc/48/94/72/1224489472.db2.gz CHZNHSBFICCUHB-CSJMPQKXSA-N 1 3 362.405 0.765 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219537753 1224503041 /nfs/dbraw/zinc/50/30/41/1224503041.db2.gz PRLGLPUWBLERFZ-ZWUHOBOKSA-N 1 3 360.458 0.951 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](N)C1 ZINC001169170482 1199054059 /nfs/dbraw/zinc/05/40/59/1199054059.db2.gz VZHNJGGRVPWGHZ-UONOGXRCSA-N 1 3 362.478 0.416 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H](N)C1 ZINC001169170482 1199054071 /nfs/dbraw/zinc/05/40/71/1199054071.db2.gz VZHNJGGRVPWGHZ-UONOGXRCSA-N 1 3 362.478 0.416 20 0 FCADHO CCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129347898 1199094732 /nfs/dbraw/zinc/09/47/32/1199094732.db2.gz IAXKPGYXPZSCDU-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301845 1200159596 /nfs/dbraw/zinc/15/95/96/1200159596.db2.gz MZGZUURWSDSGOF-LMSBXDPUSA-N 1 3 363.506 0.941 20 0 FCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1COC3(CNC3)CN1)CC21CC[NH2+]CC1 ZINC001219753405 1224596330 /nfs/dbraw/zinc/59/63/30/1224596330.db2.gz HHGPXJFMOAVUFO-ZWKOTPCHSA-N 1 3 370.497 0.508 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975969 1200656717 /nfs/dbraw/zinc/65/67/17/1200656717.db2.gz MEBCHWNGPYJGJP-MHORFTMASA-N 1 3 366.506 0.202 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975969 1200656720 /nfs/dbraw/zinc/65/67/20/1200656720.db2.gz MEBCHWNGPYJGJP-MHORFTMASA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787510027 1200887173 /nfs/dbraw/zinc/88/71/73/1200887173.db2.gz XFIDICVXJMWCAT-CQSZACIVSA-N 1 3 362.478 0.689 20 0 FCADHO O=C1O[C@@]2(CN1CN1CCN(C3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364995 1201068038 /nfs/dbraw/zinc/06/80/38/1201068038.db2.gz GYQSLQZHGWXXGS-LJQANCHMSA-N 1 3 364.490 0.657 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793902487 1201274108 /nfs/dbraw/zinc/27/41/08/1201274108.db2.gz RFWGNZVEEVEKQN-LTIDMASMSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793902487 1201274113 /nfs/dbraw/zinc/27/41/13/1201274113.db2.gz RFWGNZVEEVEKQN-LTIDMASMSA-N 1 3 366.506 0.202 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892288 1201416270 /nfs/dbraw/zinc/41/62/70/1201416270.db2.gz PQUJVNABPAWXED-IKGGRYGDSA-N 1 3 364.494 0.386 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1 ZINC001130107688 1201503031 /nfs/dbraw/zinc/50/30/31/1201503031.db2.gz VXFXWICCWRFLGL-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140085 1201516127 /nfs/dbraw/zinc/51/61/27/1201516127.db2.gz RQNBACABPWFYQM-SJORKVTESA-N 1 3 364.494 0.532 20 0 FCADHO CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[n-]1 ZINC001130244938 1201565385 /nfs/dbraw/zinc/56/53/85/1201565385.db2.gz RZAVTMRXBNSCTE-GJZGRUSLSA-N 1 3 364.494 0.635 20 0 FCADHO CNc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001219957295 1224700512 /nfs/dbraw/zinc/70/05/12/1224700512.db2.gz KKHSRIROZHKNOS-IRXDYDNUSA-N 1 3 361.490 0.792 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039522 1224735111 /nfs/dbraw/zinc/73/51/11/1224735111.db2.gz IGCNYRPHCWDHEQ-FHBSJOOWSA-N 1 3 365.478 0.388 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131064198 1202857928 /nfs/dbraw/zinc/85/79/28/1202857928.db2.gz BRXSMHRKECWAPR-JFIYKMOQSA-N 1 3 365.522 0.927 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131132986 1202869877 /nfs/dbraw/zinc/86/98/77/1202869877.db2.gz WKGGLMGCKLFXIN-BRWVUGGUSA-N 1 3 363.506 0.825 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001131596947 1202919072 /nfs/dbraw/zinc/91/90/72/1202919072.db2.gz CAJKABFWUALGCK-LMMKCTJWSA-N 1 3 371.522 0.321 20 0 FCADHO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000816522437 1203072047 /nfs/dbraw/zinc/07/20/47/1203072047.db2.gz ZBCMIQANJHJUJK-PMPSAXMXSA-N 1 3 366.506 0.901 20 0 FCADHO COc1ccc(OC)c([C@H](O)C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000819004969 1203147328 /nfs/dbraw/zinc/14/73/28/1203147328.db2.gz VXRLEEVVCCFWJW-RHSMWYFYSA-N 1 3 365.474 0.914 20 0 FCADHO C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)Cc2ccnc3ccccc23)CC1 ZINC001220307185 1224824173 /nfs/dbraw/zinc/82/41/73/1224824173.db2.gz TZHFKYKNQOSSRJ-SFHVURJKSA-N 1 3 355.486 0.858 20 0 FCADHO C[N@H+]1CCCN(CCNC(=O)[C@@H](N)Cc2ccnc3ccccc23)CC1 ZINC001220307185 1224824176 /nfs/dbraw/zinc/82/41/76/1224824176.db2.gz TZHFKYKNQOSSRJ-SFHVURJKSA-N 1 3 355.486 0.858 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354661 1224839798 /nfs/dbraw/zinc/83/97/98/1224839798.db2.gz VSTOWZHHHZLLGT-WOCWXWTJSA-N 1 3 373.453 0.693 20 0 FCADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358016 1224842609 /nfs/dbraw/zinc/84/26/09/1224842609.db2.gz OGWKIQBPONOHOE-LTIDMASMSA-N 1 3 360.458 0.109 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738021 1204837509 /nfs/dbraw/zinc/83/75/09/1204837509.db2.gz NENLNJQMCIKGLP-GJYPPUQNSA-N 1 3 363.506 0.132 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091738021 1204837510 /nfs/dbraw/zinc/83/75/10/1204837510.db2.gz NENLNJQMCIKGLP-GJYPPUQNSA-N 1 3 363.506 0.132 20 0 FCADHO C[C@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)N1CCCC1 ZINC001273450375 1204848729 /nfs/dbraw/zinc/84/87/29/1204848729.db2.gz OYPMLVCOROENDY-JXXFODFXSA-N 1 3 362.518 0.872 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087059441 1204944079 /nfs/dbraw/zinc/94/40/79/1204944079.db2.gz GJBOPRXWLVZRBL-NVXWUHKLSA-N 1 3 363.506 0.858 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091985857 1205093947 /nfs/dbraw/zinc/09/39/47/1205093947.db2.gz KNHJGYODDYTKSV-POAQFYNOSA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091985857 1205093949 /nfs/dbraw/zinc/09/39/49/1205093949.db2.gz KNHJGYODDYTKSV-POAQFYNOSA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602518 1205317655 /nfs/dbraw/zinc/31/76/55/1205317655.db2.gz ATFADVKGSLXWLL-BRWVUGGUSA-N 1 3 365.522 0.569 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602518 1205317657 /nfs/dbraw/zinc/31/76/57/1205317657.db2.gz ATFADVKGSLXWLL-BRWVUGGUSA-N 1 3 365.522 0.569 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)CCNC1 ZINC001220521722 1224905421 /nfs/dbraw/zinc/90/54/21/1224905421.db2.gz MGHZGIMZTQITTP-LBPRGKRZSA-N 1 3 369.462 0.752 20 0 FCADHO CCOC(=O)C1=C(NC(=O)c2cccc(CN3CC[NH2+]CC3)c2)CCNC1 ZINC001220525639 1224906154 /nfs/dbraw/zinc/90/61/54/1224906154.db2.gz MZWFNEHRNAQVRG-UHFFFAOYSA-N 1 3 372.469 0.632 20 0 FCADHO [NH3+]C[C@@H](O)CC(=O)NC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220533968 1224911007 /nfs/dbraw/zinc/91/10/07/1224911007.db2.gz VCZVSMAJUSJTOL-PMACEKPBSA-N 1 3 371.481 0.876 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056904 1206003736 /nfs/dbraw/zinc/00/37/36/1206003736.db2.gz VAYVALGFEUAGEB-ZTFGCOKTSA-N 1 3 358.486 0.934 20 0 FCADHO CC(C)N1CC[C@@H](N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133434 1206032205 /nfs/dbraw/zinc/03/22/05/1206032205.db2.gz FJQGKJAPBGUFLQ-BRWVUGGUSA-N 1 3 362.518 0.776 20 0 FCADHO CC(C)[C@H]1N(C(=O)C(C)(C)N2CCCC2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460182 1206083652 /nfs/dbraw/zinc/08/36/52/1206083652.db2.gz QGNDHOYXEFETLC-VIPLHTEESA-N 1 3 367.534 0.819 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093821129 1206123209 /nfs/dbraw/zinc/12/32/09/1206123209.db2.gz SQVPCBXOMGVFBL-OAGGEKHMSA-N 1 3 360.506 0.934 20 0 FCADHO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@H]2C)o1 ZINC001093992614 1206165360 /nfs/dbraw/zinc/16/53/60/1206165360.db2.gz XWSRIEDQYVHYJA-FVQBIDKESA-N 1 3 365.478 0.671 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)c(=O)c3)[C@H](C)C2)C1 ZINC001094041783 1206174358 /nfs/dbraw/zinc/17/43/58/1206174358.db2.gz FGZJNXGRPOIQQH-JFIYKMOQSA-N 1 3 360.502 0.911 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1C ZINC001094169482 1206198463 /nfs/dbraw/zinc/19/84/63/1206198463.db2.gz MZXXPCBIBMJGTL-HUUCEWRRSA-N 1 3 360.506 0.657 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)CC[N@@H+]1C ZINC001094419172 1206223911 /nfs/dbraw/zinc/22/39/11/1206223911.db2.gz VEDXAUFEIXKPKU-WOCWXWTJSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)CC[N@H+]1C ZINC001094419172 1206223913 /nfs/dbraw/zinc/22/39/13/1206223913.db2.gz VEDXAUFEIXKPKU-WOCWXWTJSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015361 1206254739 /nfs/dbraw/zinc/25/47/39/1206254739.db2.gz PKKYVXPAFFSMID-GOSISDBHSA-N 1 3 372.513 0.964 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172015361 1206254745 /nfs/dbraw/zinc/25/47/45/1206254745.db2.gz PKKYVXPAFFSMID-GOSISDBHSA-N 1 3 372.513 0.964 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001182017712 1206419892 /nfs/dbraw/zinc/41/98/92/1206419892.db2.gz RIXIYLWBVRHDAY-SFHVURJKSA-N 1 3 370.497 0.965 20 0 FCADHO CN(CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405517 1207454160 /nfs/dbraw/zinc/45/41/60/1207454160.db2.gz JIQWXRWKZWCBOS-FUHWJXTLSA-N 1 3 369.473 0.732 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC001189118399 1207503174 /nfs/dbraw/zinc/50/31/74/1207503174.db2.gz WCOXXUQHWTYGTC-BPQIPLTHSA-N 1 3 366.506 0.156 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@@H]2C1 ZINC001189118399 1207503177 /nfs/dbraw/zinc/50/31/77/1207503177.db2.gz WCOXXUQHWTYGTC-BPQIPLTHSA-N 1 3 366.506 0.156 20 0 FCADHO Cc1noc(CCCN2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189801806 1207609938 /nfs/dbraw/zinc/60/99/38/1207609938.db2.gz NVWTYQPTAYDFOT-JKSUJKDBSA-N 1 3 365.478 0.422 20 0 FCADHO O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220687045 1225013175 /nfs/dbraw/zinc/01/31/75/1225013175.db2.gz CWYSQZSMTKCDIG-DLBZAZTESA-N 1 3 356.470 0.350 20 0 FCADHO N[C@H](C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001220690147 1225017793 /nfs/dbraw/zinc/01/77/93/1225017793.db2.gz RXBJRDIENJLNCT-APWZRJJASA-N 1 3 358.486 0.868 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCCc2ccccc2)C[C@@H]1O ZINC001220768612 1225063579 /nfs/dbraw/zinc/06/35/79/1225063579.db2.gz VFTFLASSZZDYJX-MOPGFXCFSA-N 1 3 363.502 0.749 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc2ccncc2[nH]1 ZINC001220868662 1225115862 /nfs/dbraw/zinc/11/58/62/1225115862.db2.gz NZUDPVGAVUSBSX-RDJZCZTQSA-N 1 3 372.473 0.626 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748873 1209562597 /nfs/dbraw/zinc/56/25/97/1209562597.db2.gz FKQFPUSDTGANKE-RDJZCZTQSA-N 1 3 366.506 0.997 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c2)CC1 ZINC000861542672 1209870642 /nfs/dbraw/zinc/87/06/42/1209870642.db2.gz RRFWCMYDTUMQBJ-HNNXBMFYSA-N 1 3 361.490 0.961 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975904 1225169780 /nfs/dbraw/zinc/16/97/80/1225169780.db2.gz AFVNMKKCXOPKKH-QRQLOZEOSA-N 1 3 361.486 0.959 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975904 1225169783 /nfs/dbraw/zinc/16/97/83/1225169783.db2.gz AFVNMKKCXOPKKH-QRQLOZEOSA-N 1 3 361.486 0.959 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868385337 1210058192 /nfs/dbraw/zinc/05/81/92/1210058192.db2.gz PIDKXSBTEUZZHQ-QGZVFWFLSA-N 1 3 367.538 0.057 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875168485 1210345971 /nfs/dbraw/zinc/34/59/71/1210345971.db2.gz WOJXZNIVCCGGNR-MRXNPFEDSA-N 1 3 367.538 0.071 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875168485 1210345974 /nfs/dbraw/zinc/34/59/74/1210345974.db2.gz WOJXZNIVCCGGNR-MRXNPFEDSA-N 1 3 367.538 0.071 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876780079 1210429349 /nfs/dbraw/zinc/42/93/49/1210429349.db2.gz CLJFDDSYADQAER-IRXDYDNUSA-N 1 3 362.522 0.872 20 0 FCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCCN1CCN(C)CC1 ZINC000876781200 1210429756 /nfs/dbraw/zinc/42/97/56/1210429756.db2.gz MFZBURPAZLKODU-KRWDZBQOSA-N 1 3 362.522 0.873 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@@H+]1C ZINC000883457998 1210668809 /nfs/dbraw/zinc/66/88/09/1210668809.db2.gz UJERAEPGJXGZIG-CVEARBPZSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[N@H+]1C ZINC000883457998 1210668814 /nfs/dbraw/zinc/66/88/14/1210668814.db2.gz UJERAEPGJXGZIG-CVEARBPZSA-N 1 3 365.522 0.985 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC1 ZINC000883592554 1210672659 /nfs/dbraw/zinc/67/26/59/1210672659.db2.gz LLGMLQUYBJFCEG-UHFFFAOYSA-N 1 3 365.522 0.986 20 0 FCADHO O=C(C(=O)N1CCNCCC12CCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000883656892 1210682192 /nfs/dbraw/zinc/68/21/92/1210682192.db2.gz MGRVQAGBEMMVDW-UHFFFAOYSA-N 1 3 357.458 0.475 20 0 FCADHO CCN(C(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884509559 1210741942 /nfs/dbraw/zinc/74/19/42/1210741942.db2.gz JNPOLWHWLJVLQI-CRAIPNDOSA-N 1 3 373.501 0.934 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884578357 1210756599 /nfs/dbraw/zinc/75/65/99/1210756599.db2.gz YQEQZJLMJRMVSW-OAHLLOKOSA-N 1 3 358.486 0.939 20 0 FCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000884646739 1210772446 /nfs/dbraw/zinc/77/24/46/1210772446.db2.gz DFMYGMSLUFRAJO-QGZVFWFLSA-N 1 3 374.485 0.209 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885157303 1210813540 /nfs/dbraw/zinc/81/35/40/1210813540.db2.gz KOUSQKCSYSCAMP-ROUUACIJSA-N 1 3 358.486 0.760 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000889805656 1210954628 /nfs/dbraw/zinc/95/46/28/1210954628.db2.gz QVYVZHLHXOMPLF-YJBOKZPZSA-N 1 3 373.501 0.976 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000889805656 1210954629 /nfs/dbraw/zinc/95/46/29/1210954629.db2.gz QVYVZHLHXOMPLF-YJBOKZPZSA-N 1 3 373.501 0.976 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000890057771 1210962867 /nfs/dbraw/zinc/96/28/67/1210962867.db2.gz NIVYQMQUIVDDEX-GOSISDBHSA-N 1 3 373.501 0.930 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000890057771 1210962869 /nfs/dbraw/zinc/96/28/69/1210962869.db2.gz NIVYQMQUIVDDEX-GOSISDBHSA-N 1 3 373.501 0.930 20 0 FCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001221188418 1225260021 /nfs/dbraw/zinc/26/00/21/1225260021.db2.gz VVSJWXWUVYBJDO-CABCVRRESA-N 1 3 365.430 0.234 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147126 1211179772 /nfs/dbraw/zinc/17/97/72/1211179772.db2.gz ALNFRLGZJGLRJR-HXUWFJFHSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@@H+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275147126 1211179776 /nfs/dbraw/zinc/17/97/76/1211179776.db2.gz ALNFRLGZJGLRJR-HXUWFJFHSA-N 1 3 364.534 0.727 20 0 FCADHO CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275507719 1211252049 /nfs/dbraw/zinc/25/20/49/1211252049.db2.gz HVONGICDMNJVAX-IBGZPJMESA-N 1 3 369.506 0.829 20 0 FCADHO CC(C)OC(=O)CN1C[C@@]2(CC[N@@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275507719 1211252052 /nfs/dbraw/zinc/25/20/52/1211252052.db2.gz HVONGICDMNJVAX-IBGZPJMESA-N 1 3 369.506 0.829 20 0 FCADHO CN1CCN(CCCN2C[C@@]3(CC2=O)CCCCN3CC[NH+](C)C)CC1 ZINC001275841766 1211296040 /nfs/dbraw/zinc/29/60/40/1211296040.db2.gz DGVHOCRMGXVOMP-FQEVSTJZSA-N 1 3 365.566 0.643 20 0 FCADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O ZINC000924584564 1211474627 /nfs/dbraw/zinc/47/46/27/1211474627.db2.gz GSGDYLHXIRWSMB-KRWDZBQOSA-N 1 3 360.458 0.625 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCc3ncnn32)CC1 ZINC001110956345 1211615044 /nfs/dbraw/zinc/61/50/44/1211615044.db2.gz FAHDFLFMIHNXDK-FPCVCCKLSA-N 1 3 358.490 0.829 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662496 1212480335 /nfs/dbraw/zinc/48/03/35/1212480335.db2.gz CPEGFIZZSCNTDR-RYQLBKOJSA-N 1 3 366.506 0.650 20 0 FCADHO CCOC(=O)[C@H]1CN(CCN(C)C)C(=O)C12CC[NH+](CCCOC)CC2 ZINC001276316814 1213403361 /nfs/dbraw/zinc/40/33/61/1213403361.db2.gz ZZYSYHOFGNKMOH-MRXNPFEDSA-N 1 3 369.506 0.688 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701516 1225448364 /nfs/dbraw/zinc/44/83/64/1225448364.db2.gz SGMVTUWIECPIBE-MOXMWUHRSA-N 1 3 363.502 0.809 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701516 1225448367 /nfs/dbraw/zinc/44/83/67/1225448367.db2.gz SGMVTUWIECPIBE-MOXMWUHRSA-N 1 3 363.502 0.809 20 0 FCADHO CC(C)[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825632 1225505247 /nfs/dbraw/zinc/50/52/47/1225505247.db2.gz WIXQYOUETYDHCO-ICSRJNTNSA-N 1 3 366.550 0.565 20 0 FCADHO CC(C)[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276825632 1225505251 /nfs/dbraw/zinc/50/52/51/1225505251.db2.gz WIXQYOUETYDHCO-ICSRJNTNSA-N 1 3 366.550 0.565 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCCNC2=O)CC3)CC[N@@H+]1C ZINC001040707773 1214570913 /nfs/dbraw/zinc/57/09/13/1214570913.db2.gz IFOGDTLWLGIOLD-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCCNC2=O)CC3)CC[N@H+]1C ZINC001040707773 1214570919 /nfs/dbraw/zinc/57/09/19/1214570919.db2.gz IFOGDTLWLGIOLD-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329257 1216308871 /nfs/dbraw/zinc/30/88/71/1216308871.db2.gz PVJVRDVURIKXPY-XFIYOXNOSA-N 1 3 363.510 0.876 20 0 FCADHO C[C@H](NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nnnn1C ZINC001050329257 1216308877 /nfs/dbraw/zinc/30/88/77/1216308877.db2.gz PVJVRDVURIKXPY-XFIYOXNOSA-N 1 3 363.510 0.876 20 0 FCADHO COc1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623893 1216468483 /nfs/dbraw/zinc/46/84/83/1216468483.db2.gz KGOXMRAVSKKCJJ-HYVNUMGLSA-N 1 3 362.474 0.747 20 0 FCADHO COc1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623893 1216468488 /nfs/dbraw/zinc/46/84/88/1216468488.db2.gz KGOXMRAVSKKCJJ-HYVNUMGLSA-N 1 3 362.474 0.747 20 0 FCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001223174878 1225688330 /nfs/dbraw/zinc/68/83/30/1225688330.db2.gz SQMDEBSUITYCJP-NEWSRXKRSA-N 1 3 365.518 0.793 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(CCN4CCNC4=O)C3)C2)CC[N@@H+]1C ZINC001041297509 1217270933 /nfs/dbraw/zinc/27/09/33/1217270933.db2.gz QFJKNTOCODBMHB-GPMSIDNRSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(CCN4CCNC4=O)C3)C2)CC[N@H+]1C ZINC001041297509 1217270936 /nfs/dbraw/zinc/27/09/36/1217270936.db2.gz QFJKNTOCODBMHB-GPMSIDNRSA-N 1 3 363.506 0.276 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)N(C)CC)C2)CC[N@@H+]1C ZINC001043613683 1217684379 /nfs/dbraw/zinc/68/43/79/1217684379.db2.gz VOXKRNKMJGHEMG-LSDHHAIUSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)N(C)CC)C2)CC[N@H+]1C ZINC001043613683 1217684382 /nfs/dbraw/zinc/68/43/82/1217684382.db2.gz VOXKRNKMJGHEMG-LSDHHAIUSA-N 1 3 368.522 0.137 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cn2cccn2)CC1 ZINC001095964741 1217789358 /nfs/dbraw/zinc/78/93/58/1217789358.db2.gz ABBWKILFCOVZKW-OWSLCNJRSA-N 1 3 361.490 0.307 20 0 FCADHO CC(=O)N1CCN(C(=O)CN2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000903794158 1218528468 /nfs/dbraw/zinc/52/84/68/1218528468.db2.gz PCEDTKVLWBZKIA-UHFFFAOYSA-N 1 3 358.486 0.670 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226323217 1225840536 /nfs/dbraw/zinc/84/05/36/1225840536.db2.gz JBVMGEPSOLPUJS-QBPKDAKJSA-N 1 3 368.522 0.496 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226323217 1225840539 /nfs/dbraw/zinc/84/05/39/1225840539.db2.gz JBVMGEPSOLPUJS-QBPKDAKJSA-N 1 3 368.522 0.496 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800207 1225854706 /nfs/dbraw/zinc/85/47/06/1225854706.db2.gz HXADMSPMTQMUNS-JFIYKMOQSA-N 1 3 368.522 0.496 20 0 FCADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804051647 1219104629 /nfs/dbraw/zinc/10/46/29/1219104629.db2.gz APOIPSXKILVEOZ-JKSUJKDBSA-N 1 3 364.490 0.053 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804055941 1219109688 /nfs/dbraw/zinc/10/96/88/1219109688.db2.gz PTHGOYWYVLQNDW-DLBZAZTESA-N 1 3 366.506 0.299 20 0 FCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)(C)C ZINC000804062740 1219117962 /nfs/dbraw/zinc/11/79/62/1219117962.db2.gz KNKZNQQQCNCRAN-JYJNAYRXSA-N 1 3 368.522 0.448 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804062552 1219118198 /nfs/dbraw/zinc/11/81/98/1219118198.db2.gz ICARZSLAICBOHE-DLBZAZTESA-N 1 3 366.506 0.300 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCOCCNC(C)=O)CC2)CC[N@@H+]1C ZINC001227454757 1225875459 /nfs/dbraw/zinc/87/54/59/1225875459.db2.gz UDURCECSMINYDX-ZWKOTPCHSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCOCCNC(C)=O)CC2)CC[N@H+]1C ZINC001227454757 1225875462 /nfs/dbraw/zinc/87/54/62/1225875462.db2.gz UDURCECSMINYDX-ZWKOTPCHSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C(=O)NC(N)=O ZINC001227901502 1225890327 /nfs/dbraw/zinc/89/03/27/1225890327.db2.gz YVWRFFOKGKCHSG-BFHYXJOUSA-N 1 3 367.494 0.461 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534639 1219457356 /nfs/dbraw/zinc/45/73/56/1219457356.db2.gz FVKYYGDDLAKMKU-HLLBOEOZSA-N 1 3 363.506 0.417 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nc([C@@H]3COCCN3C(C)C)n[nH]2)CC[N@@H+]1C ZINC001070587085 1219479729 /nfs/dbraw/zinc/47/97/29/1219479729.db2.gz ZFWMVBNZCZVMLY-ZNMIVQPWSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nc([C@@H]3COCCN3C(C)C)n[nH]2)CC[N@H+]1C ZINC001070587085 1219479731 /nfs/dbraw/zinc/47/97/31/1219479731.db2.gz ZFWMVBNZCZVMLY-ZNMIVQPWSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@@H]3COCCN3C(C)C)n2)CC[N@@H+]1C ZINC001070587085 1219479735 /nfs/dbraw/zinc/47/97/35/1219479735.db2.gz ZFWMVBNZCZVMLY-ZNMIVQPWSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@@H]3COCCN3C(C)C)n2)CC[N@H+]1C ZINC001070587085 1219479736 /nfs/dbraw/zinc/47/97/36/1219479736.db2.gz ZFWMVBNZCZVMLY-ZNMIVQPWSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@@H]3COCCN3C(C)C)[nH]2)CC[N@@H+]1C ZINC001070587085 1219479740 /nfs/dbraw/zinc/47/97/40/1219479740.db2.gz ZFWMVBNZCZVMLY-ZNMIVQPWSA-N 1 3 364.494 0.933 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@@H]3COCCN3C(C)C)[nH]2)CC[N@H+]1C ZINC001070587085 1219479741 /nfs/dbraw/zinc/47/97/41/1219479741.db2.gz ZFWMVBNZCZVMLY-ZNMIVQPWSA-N 1 3 364.494 0.933 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001070629187 1219493628 /nfs/dbraw/zinc/49/36/28/1219493628.db2.gz CYZLYQOLDILQFS-ZACQAIPSSA-N 1 3 371.489 0.295 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001228262107 1225905859 /nfs/dbraw/zinc/90/58/59/1225905859.db2.gz PCCKRXDWTKMZEU-HUUCEWRRSA-N 1 3 367.494 0.333 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228445967 1225924203 /nfs/dbraw/zinc/92/42/03/1225924203.db2.gz YNEOPQNKPZHITP-KZNAEPCWSA-N 1 3 370.538 0.742 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228445665 1225924245 /nfs/dbraw/zinc/92/42/45/1225924245.db2.gz VBMQCKKGWMSPNF-JFIYKMOQSA-N 1 3 370.538 0.742 20 0 FCADHO Cn1ncnc1CNC[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001099446016 1219999385 /nfs/dbraw/zinc/99/93/85/1219999385.db2.gz GNSQKOJKIZCBOS-IEZWGBDMSA-N 1 3 360.506 0.874 20 0 FCADHO CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1=O ZINC001099506653 1220017445 /nfs/dbraw/zinc/01/74/45/1220017445.db2.gz SGVFEGMKYRBZRE-QOKNQOGYSA-N 1 3 359.474 0.791 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285030 1220266583 /nfs/dbraw/zinc/26/65/83/1220266583.db2.gz LRAFVNPYFSDDSX-LPMFXHHGSA-N 1 3 364.490 0.302 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285030 1220266590 /nfs/dbraw/zinc/26/65/90/1220266590.db2.gz LRAFVNPYFSDDSX-LPMFXHHGSA-N 1 3 364.490 0.302 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)N(C)C ZINC001101365807 1220304402 /nfs/dbraw/zinc/30/44/02/1220304402.db2.gz KUGRODJEICOCNL-AOIWGVFYSA-N 1 3 368.522 0.260 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1)N(C)C ZINC001101365807 1220304404 /nfs/dbraw/zinc/30/44/04/1220304404.db2.gz KUGRODJEICOCNL-AOIWGVFYSA-N 1 3 368.522 0.260 20 0 FCADHO CCCC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431379 1220341770 /nfs/dbraw/zinc/34/17/70/1220341770.db2.gz MCIFUJWKSFJCBE-MDZRGWNJSA-N 1 3 362.518 0.907 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975871 1220449874 /nfs/dbraw/zinc/44/98/74/1220449874.db2.gz FCXPVNJXKAHOBS-KBAYOESNSA-N 1 3 364.534 0.881 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045891 1220476140 /nfs/dbraw/zinc/47/61/40/1220476140.db2.gz BBACEJVZWQDBEK-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045891 1220476142 /nfs/dbraw/zinc/47/61/42/1220476142.db2.gz BBACEJVZWQDBEK-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047761 1220476945 /nfs/dbraw/zinc/47/69/45/1220476945.db2.gz RZTNETMJZYQOGW-LSBZLQRGSA-N 1 3 360.502 0.910 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047761 1220476950 /nfs/dbraw/zinc/47/69/50/1220476950.db2.gz RZTNETMJZYQOGW-LSBZLQRGSA-N 1 3 360.502 0.910 20 0 FCADHO C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051611 1220479251 /nfs/dbraw/zinc/47/92/51/1220479251.db2.gz ALKGUVPWQHHQGZ-BFYDXBDKSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051611 1220479253 /nfs/dbraw/zinc/47/92/53/1220479253.db2.gz ALKGUVPWQHHQGZ-BFYDXBDKSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001103003579 1220818970 /nfs/dbraw/zinc/81/89/70/1220818970.db2.gz RZKXOVUAFUPFQA-JOCBIADPSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2C)CC[N@H+]1C ZINC001103003579 1220818971 /nfs/dbraw/zinc/81/89/71/1220818971.db2.gz RZKXOVUAFUPFQA-JOCBIADPSA-N 1 3 364.534 0.927 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103550158 1220899194 /nfs/dbraw/zinc/89/91/94/1220899194.db2.gz BRJSDKVCOSJJPR-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001103550158 1220899197 /nfs/dbraw/zinc/89/91/97/1220899197.db2.gz BRJSDKVCOSJJPR-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103755372 1220965984 /nfs/dbraw/zinc/96/59/84/1220965984.db2.gz DTRABUKZXSSWAM-IAGOWNOFSA-N 1 3 368.522 0.260 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001103755372 1220965986 /nfs/dbraw/zinc/96/59/86/1220965986.db2.gz DTRABUKZXSSWAM-IAGOWNOFSA-N 1 3 368.522 0.260 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103755373 1220966230 /nfs/dbraw/zinc/96/62/30/1220966230.db2.gz DYZHTXCDGAWUBE-HZPDHXFCSA-N 1 3 366.506 0.550 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103755373 1220966232 /nfs/dbraw/zinc/96/62/32/1220966232.db2.gz DYZHTXCDGAWUBE-HZPDHXFCSA-N 1 3 366.506 0.550 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC001229876843 1226037958 /nfs/dbraw/zinc/03/79/58/1226037958.db2.gz DPLZHQSQGWRVJS-GVDBMIGSSA-N 1 3 370.538 0.886 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC001118147736 1221719988 /nfs/dbraw/zinc/71/99/88/1221719988.db2.gz JANOYTXCZAPCNV-UHFFFAOYSA-N 1 3 361.490 0.536 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001118551646 1221799712 /nfs/dbraw/zinc/79/97/12/1221799712.db2.gz PARQMUJOBAONEO-OAHLLOKOSA-N 1 3 361.490 0.382 20 0 FCADHO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230274774 1226070716 /nfs/dbraw/zinc/07/07/16/1226070716.db2.gz KZJLRDJWHXQBBR-BRWVUGGUSA-N 1 3 370.538 0.885 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CC1=O ZINC001120754692 1222119367 /nfs/dbraw/zinc/11/93/67/1222119367.db2.gz DYTGBKXQQGUJNW-FFZOFVMBSA-N 1 3 362.518 0.731 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)CC1=O ZINC001120754692 1222119372 /nfs/dbraw/zinc/11/93/72/1222119372.db2.gz DYTGBKXQQGUJNW-FFZOFVMBSA-N 1 3 362.518 0.731 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)COC1(C)C ZINC001161210669 1222637482 /nfs/dbraw/zinc/63/74/82/1222637482.db2.gz YAISGFJEVSPEQD-BBRMVZONSA-N 1 3 366.506 0.535 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000838302254 1222677039 /nfs/dbraw/zinc/67/70/39/1222677039.db2.gz OKINPPJLVGADEY-DLBZAZTESA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000838302254 1222677043 /nfs/dbraw/zinc/67/70/43/1222677043.db2.gz OKINPPJLVGADEY-DLBZAZTESA-N 1 3 367.538 0.565 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841165480 1222811645 /nfs/dbraw/zinc/81/16/45/1222811645.db2.gz XEGDXWKFDXKBLC-MRXNPFEDSA-N 1 3 359.474 0.635 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842089108 1222835333 /nfs/dbraw/zinc/83/53/33/1222835333.db2.gz XPQCFFXZFVPARY-QGZVFWFLSA-N 1 3 366.506 0.252 20 0 FCADHO COc1ccnc(N(C(=O)CCN2CCN(C)CC2)C2CC[NH2+]CC2)c1 ZINC001143231935 1222872199 /nfs/dbraw/zinc/87/21/99/1222872199.db2.gz WQSWHEKOUMCMTB-UHFFFAOYSA-N 1 3 361.490 0.813 20 0 FCADHO NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363626 1222873731 /nfs/dbraw/zinc/87/37/31/1222873731.db2.gz DMMNFKWHFPFHKI-UHFFFAOYSA-N 1 3 358.486 0.966 20 0 FCADHO CN1C[C@@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)nc3)C2)OCC1=O ZINC001277698550 1226161719 /nfs/dbraw/zinc/16/17/19/1226161719.db2.gz RJEIPWQMWLSLLM-LJQANCHMSA-N 1 3 359.474 0.267 20 0 FCADHO CN1CCN(c2ccc(C[N@@H+]3CC[C@]4(C3)CN(C)C(=O)CO4)cn2)CC1 ZINC001277698550 1226161720 /nfs/dbraw/zinc/16/17/20/1226161720.db2.gz RJEIPWQMWLSLLM-LJQANCHMSA-N 1 3 359.474 0.267 20 0 FCADHO CN1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CN(C)C(=O)CO4)cn2)CC1 ZINC001277698550 1226161724 /nfs/dbraw/zinc/16/17/24/1226161724.db2.gz RJEIPWQMWLSLLM-LJQANCHMSA-N 1 3 359.474 0.267 20 0 FCADHO CN1CCC(CNc2ncccc2C(=O)N2CCNCC2)([NH+](C)C)CC1 ZINC001156184843 1223051448 /nfs/dbraw/zinc/05/14/48/1223051448.db2.gz FRDCAWSJELVETD-UHFFFAOYSA-N 1 3 360.506 0.565 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCN(C(N)=O)C3)CC2)CC1 ZINC001157169697 1223069330 /nfs/dbraw/zinc/06/93/30/1223069330.db2.gz SZYDFBWWKAHKMO-OAHLLOKOSA-N 1 3 365.522 0.700 20 0 FCADHO Cc1ccc([C@@H](C(=O)N(C)C[C@@H]2CNCCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720603 1223081276 /nfs/dbraw/zinc/08/12/76/1223081276.db2.gz MKGNONXEBJUMMV-OALUTQOASA-N 1 3 360.502 0.906 20 0 FCADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971864 1223085699 /nfs/dbraw/zinc/08/56/99/1223085699.db2.gz HNMYKRBTONQUFW-HOTGVXAUSA-N 1 3 362.474 0.418 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001157978367 1223086042 /nfs/dbraw/zinc/08/60/42/1223086042.db2.gz SVYSSVOGLFHKAM-BRWVUGGUSA-N 1 3 365.522 0.665 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)CCN2CCNC2=O)CC[N@H+]1C ZINC001157978367 1223086046 /nfs/dbraw/zinc/08/60/46/1223086046.db2.gz SVYSSVOGLFHKAM-BRWVUGGUSA-N 1 3 365.522 0.665 20 0 FCADHO N[C@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001158101621 1223089265 /nfs/dbraw/zinc/08/92/65/1223089265.db2.gz KIQVIUZRMAWEDU-CZUORRHYSA-N 1 3 370.375 0.786 20 0 FCADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261078 1223092540 /nfs/dbraw/zinc/09/25/40/1223092540.db2.gz JVHKIYUQPHIQIB-YPMHNXCESA-N 1 3 372.395 0.630 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001158497712 1223100852 /nfs/dbraw/zinc/10/08/52/1223100852.db2.gz FCWZUUHBEGCIHO-RFQIPJPRSA-N 1 3 369.462 0.188 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158545427 1223101715 /nfs/dbraw/zinc/10/17/15/1223101715.db2.gz DGLHFUQMAINAOT-MDZRGWNJSA-N 1 3 359.474 0.368 20 0 FCADHO C[C@H]1C(=O)Nc2cnc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)nc2N1C ZINC001158581857 1223102999 /nfs/dbraw/zinc/10/29/99/1223102999.db2.gz YXOSGGYMTVNIOV-ZDUSSCGKSA-N 1 3 373.505 0.906 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001158602325 1223103004 /nfs/dbraw/zinc/10/30/04/1223103004.db2.gz XUUQIPHFTQLJEK-CQSZACIVSA-N 1 3 355.442 0.714 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001158891387 1223112120 /nfs/dbraw/zinc/11/21/20/1223112120.db2.gz YGSRNJFVGLPMNI-OAHLLOKOSA-N 1 3 368.522 0.722 20 0 FCADHO Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@H]2C[NH2+]CC24CNC4)CC3)cn1 ZINC001158983654 1223114614 /nfs/dbraw/zinc/11/46/14/1223114614.db2.gz WJZMLUCQLAYRPT-GOEBONIOSA-N 1 3 359.474 0.094 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135062 1223118351 /nfs/dbraw/zinc/11/83/51/1223118351.db2.gz RCNDRVRAXJIYQT-QFBILLFUSA-N 1 3 359.474 0.631 20 0 FCADHO CCOC(=O)C1C[NH2+]CCC1=Nc1ncccc1C(=O)N1CCNCC1 ZINC001159453094 1223127337 /nfs/dbraw/zinc/12/73/37/1223127337.db2.gz QFJGZRSLMDOWDL-UHFFFAOYSA-N 1 3 359.430 0.349 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514924 1223129333 /nfs/dbraw/zinc/12/93/33/1223129333.db2.gz LZLNZLCRKSULHN-HNNXBMFYSA-N 1 3 374.493 0.314 20 0 FCADHO N[C@H](C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21)C1CC[NH2+]CC1 ZINC001159699317 1223134744 /nfs/dbraw/zinc/13/47/44/1223134744.db2.gz OSGVMMCWSFLEFS-RMRDIRSESA-N 1 3 374.485 0.793 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160077233 1223144134 /nfs/dbraw/zinc/14/41/34/1223144134.db2.gz RVICKYYJPWQILX-YHUYYLMFSA-N 1 3 366.437 0.814 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160177892 1223148442 /nfs/dbraw/zinc/14/84/42/1223148442.db2.gz AILOZPZEABZRKB-AWEZNQCLSA-N 1 3 369.425 0.342 20 0 FCADHO O=C(N1CCN(CCOc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160460679 1223160454 /nfs/dbraw/zinc/16/04/54/1223160454.db2.gz CERCYMPLODWYRZ-YLJYHZDGSA-N 1 3 358.486 0.409 20 0 FCADHO N[C@@H](C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1)C1CC[NH2+]CC1 ZINC001160629422 1223166566 /nfs/dbraw/zinc/16/65/66/1223166566.db2.gz PBUIBADRLNURGY-GOSISDBHSA-N 1 3 372.448 0.677 20 0 FCADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160787490 1223172275 /nfs/dbraw/zinc/17/22/75/1223172275.db2.gz JXYZYMPNPBGJCU-XJKSGUPXSA-N 1 3 365.478 0.894 20 0 FCADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001160839991 1223176573 /nfs/dbraw/zinc/17/65/73/1223176573.db2.gz STSGCLFPJIFEOZ-YVWKXTFCSA-N 1 3 358.486 0.501 20 0 FCADHO CN(C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001160839988 1223176591 /nfs/dbraw/zinc/17/65/91/1223176591.db2.gz STSGCLFPJIFEOZ-POAQFYNOSA-N 1 3 358.486 0.501 20 0 FCADHO O=C([C@@H]1CNC[C@@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196352 1223188407 /nfs/dbraw/zinc/18/84/07/1223188407.db2.gz DLJBKQKOLJZETI-ROUUACIJSA-N 1 3 370.513 0.485 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3CC[C@](F)(C[NH3+])C3)cc(=O)oc2c1 ZINC001161247203 1223192023 /nfs/dbraw/zinc/19/20/23/1223192023.db2.gz ZHPGNROWWZYXEK-KSSFIOAISA-N 1 3 363.389 0.571 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313263 1223195405 /nfs/dbraw/zinc/19/54/05/1223195405.db2.gz HSUVDRGMWYNXDH-OAHLLOKOSA-N 1 3 363.437 0.860 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313263 1223195410 /nfs/dbraw/zinc/19/54/10/1223195410.db2.gz HSUVDRGMWYNXDH-OAHLLOKOSA-N 1 3 363.437 0.860 20 0 FCADHO N[C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376592 1223197231 /nfs/dbraw/zinc/19/72/31/1223197231.db2.gz BLWUBYGSDZDWCS-WBVHZDCISA-N 1 3 356.474 0.457 20 0 FCADHO Cc1ccc(CN(C(=O)[C@H]2COC3(CNC3)CN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395558 1223197757 /nfs/dbraw/zinc/19/77/57/1223197757.db2.gz FWBDILAOQSBXDP-GUDVDZBRSA-N 1 3 372.513 0.924 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)Cc1ccc(C)cc1C)CC2 ZINC001161479964 1223200910 /nfs/dbraw/zinc/20/09/10/1223200910.db2.gz RGEJMXDXBGUWED-SQGPQFPESA-N 1 3 359.470 0.927 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1ccc(C[C@H](C[NH3+])C(=O)OC)cc1 ZINC001162537032 1223218071 /nfs/dbraw/zinc/21/80/71/1223218071.db2.gz MQCFQEKZUCOEJI-CYBMUJFWSA-N 1 3 360.414 0.798 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCC(=O)Nc3ccon3)CC2)CC[N@@H+]1C ZINC001164576065 1223240251 /nfs/dbraw/zinc/24/02/51/1223240251.db2.gz MJNLTRJCERSAQG-ZIAGYGMSSA-N 1 3 363.462 0.829 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001164576065 1223240252 /nfs/dbraw/zinc/24/02/52/1223240252.db2.gz MJNLTRJCERSAQG-ZIAGYGMSSA-N 1 3 363.462 0.829 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1nn(-c2ncc3c(n2)CC[NH2+]C3)c2c1CNCC2 ZINC001165937617 1223262268 /nfs/dbraw/zinc/26/22/68/1223262268.db2.gz LPWCBLMJSCFZJC-GFCCVEGCSA-N 1 3 367.457 0.578 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441515 1223546182 /nfs/dbraw/zinc/54/61/82/1223546182.db2.gz JDVUFJHHXRDNOO-JFIYKMOQSA-N 1 3 367.490 0.935 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1C[N@H+](C[C@H]2CCCN(C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615370 1223563988 /nfs/dbraw/zinc/56/39/88/1223563988.db2.gz WBYFYIOLDJWRRD-MWDXBVQZSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C[C@H]2CCCN(C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615370 1223563990 /nfs/dbraw/zinc/56/39/90/1223563990.db2.gz WBYFYIOLDJWRRD-MWDXBVQZSA-N 1 3 361.490 0.724 20 0 FCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738570 1223574227 /nfs/dbraw/zinc/57/42/27/1223574227.db2.gz FKIVNFCQWMJLAD-FGTMMUONSA-N 1 3 371.522 0.587 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3c[nH]c4cccnc34)C2)OCC1=O ZINC001276628834 1223605646 /nfs/dbraw/zinc/60/56/46/1223605646.db2.gz CDYXVIDJXICMNR-IBGZPJMESA-N 1 3 357.458 0.928 20 0 FCADHO Nc1cc[nH+]cc1CN1CCC[C@@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734049 1223646009 /nfs/dbraw/zinc/64/60/09/1223646009.db2.gz KUXKSOFANPRDDQ-MJGOQNOKSA-N 1 3 360.458 0.724 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192609 1223765188 /nfs/dbraw/zinc/76/51/88/1223765188.db2.gz TUIUMBBURSJANK-RVKOJVRFSA-N 1 3 367.490 0.092 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213192609 1223765190 /nfs/dbraw/zinc/76/51/90/1223765190.db2.gz TUIUMBBURSJANK-RVKOJVRFSA-N 1 3 367.490 0.092 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191730 1223765458 /nfs/dbraw/zinc/76/54/58/1223765458.db2.gz FMJCRTLYDUVPPX-CBYDULDESA-N 1 3 367.490 0.092 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213191730 1223765462 /nfs/dbraw/zinc/76/54/62/1223765462.db2.gz FMJCRTLYDUVPPX-CBYDULDESA-N 1 3 367.490 0.092 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455843 1223801022 /nfs/dbraw/zinc/80/10/22/1223801022.db2.gz QEBAWTKZWRFWFP-KZNAEPCWSA-N 1 3 371.522 0.729 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455844 1223801102 /nfs/dbraw/zinc/80/11/02/1223801102.db2.gz QEBAWTKZWRFWFP-RCCFBDPRSA-N 1 3 371.522 0.729 20 0 FCADHO CO[C@@H]1CN(CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213860271 1223863242 /nfs/dbraw/zinc/86/32/42/1223863242.db2.gz YHKYRPQQHIAVHP-GVDBMIGSSA-N 1 3 364.494 0.216 20 0 FCADHO CO[C@@H]1CN(CCCCCn2cncn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213860271 1223863246 /nfs/dbraw/zinc/86/32/46/1223863246.db2.gz YHKYRPQQHIAVHP-GVDBMIGSSA-N 1 3 364.494 0.216 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NCC1CCC1 ZINC001214646784 1223929147 /nfs/dbraw/zinc/92/91/47/1223929147.db2.gz YAXBBPATRLNOKC-FHLIZLRMSA-N 1 3 362.518 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NC1CCCC1 ZINC001214646714 1223929258 /nfs/dbraw/zinc/92/92/58/1223929258.db2.gz XHPYHSKZWPWGSH-FHLIZLRMSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214856163 1223948576 /nfs/dbraw/zinc/94/85/76/1223948576.db2.gz XOWJFUCWNAJKJI-MZMPZRCHSA-N 1 3 362.474 0.673 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1)[NH+](C)C ZINC001214904764 1223954481 /nfs/dbraw/zinc/95/44/81/1223954481.db2.gz IMPZMNIODCRESX-KYJSFNMBSA-N 1 3 364.490 0.919 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1)N(C)C ZINC001214954757 1223959381 /nfs/dbraw/zinc/95/93/81/1223959381.db2.gz FQMCLQGROZCIAH-BRWVUGGUSA-N 1 3 370.538 0.694 20 0 FCADHO COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414320 1223998287 /nfs/dbraw/zinc/99/82/87/1223998287.db2.gz TUSAKQKDTYEORQ-OWCLPIDISA-N 1 3 368.522 0.306 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215423241 1223999135 /nfs/dbraw/zinc/99/91/35/1223999135.db2.gz CTYXAZBMSKZBME-VNHYZAJKSA-N 1 3 367.494 0.141 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518998 1224004012 /nfs/dbraw/zinc/00/40/12/1224004012.db2.gz UCHXAMDACILFLW-ZACQAIPSSA-N 1 3 370.538 0.696 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563998 1224006643 /nfs/dbraw/zinc/00/66/43/1224006643.db2.gz WFJWZSVDRVGPKO-HZPDHXFCSA-N 1 3 370.538 0.554 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC(C)C)C1)N(C)C ZINC001215574889 1224007033 /nfs/dbraw/zinc/00/70/33/1224007033.db2.gz FQMCLQGROZCIAH-ZACQAIPSSA-N 1 3 370.538 0.694 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861569 1224021275 /nfs/dbraw/zinc/02/12/75/1224021275.db2.gz KQSYGONGLARKAV-GDBMZVCRSA-N 1 3 364.494 0.019 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053421 1224031290 /nfs/dbraw/zinc/03/12/90/1224031290.db2.gz MIPRNTASNTVLRP-HUUCEWRRSA-N 1 3 367.494 0.001 20 0 FCADHO CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216092053 1224034148 /nfs/dbraw/zinc/03/41/48/1224034148.db2.gz ZPMIATIOTQENNU-HLLBOEOZSA-N 1 3 368.522 0.448 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490659 1224052930 /nfs/dbraw/zinc/05/29/30/1224052930.db2.gz JBYJKNGPMUUIEM-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216490659 1224052933 /nfs/dbraw/zinc/05/29/33/1224052933.db2.gz JBYJKNGPMUUIEM-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001216495197 1224053401 /nfs/dbraw/zinc/05/34/01/1224053401.db2.gz ZOSYEURXHZZJJN-UKRRQHHQSA-N 1 3 367.494 0.143 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001216495197 1224053403 /nfs/dbraw/zinc/05/34/03/1224053403.db2.gz ZOSYEURXHZZJJN-UKRRQHHQSA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)Nc1ccc(O)cc1 ZINC001216752082 1224068303 /nfs/dbraw/zinc/06/83/03/1224068303.db2.gz GIVCKBMMKCIOJP-JKIFEVAISA-N 1 3 360.458 0.719 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)Nc1ccc(O)cc1 ZINC001216752082 1224068304 /nfs/dbraw/zinc/06/83/04/1224068304.db2.gz GIVCKBMMKCIOJP-JKIFEVAISA-N 1 3 360.458 0.719 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1ccccc1 ZINC001216753992 1224068315 /nfs/dbraw/zinc/06/83/15/1224068315.db2.gz CQWMKMHRPGWGGJ-KBAYOESNSA-N 1 3 358.486 0.691 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1ccccc1 ZINC001216753992 1224068319 /nfs/dbraw/zinc/06/83/19/1224068319.db2.gz CQWMKMHRPGWGGJ-KBAYOESNSA-N 1 3 358.486 0.691 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986770468 1248992583 /nfs/dbraw/zinc/99/25/83/1248992583.db2.gz FZNQVDOIIPEYMA-CABCVRRESA-N 1 3 357.458 0.355 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517805 1245504201 /nfs/dbraw/zinc/50/42/01/1245504201.db2.gz XQDPOXSCSGOJOT-KFKAGJAMSA-N 1 3 370.497 0.918 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517805 1245504207 /nfs/dbraw/zinc/50/42/07/1245504207.db2.gz XQDPOXSCSGOJOT-KFKAGJAMSA-N 1 3 370.497 0.918 20 0 FCADHO CO[C@H](C)CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001327841367 1265440104 /nfs/dbraw/zinc/44/01/04/1265440104.db2.gz KYIWXJLIXIJQPO-OAHLLOKOSA-N 1 3 362.474 0.247 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(N)=O)CCOCC3)CC2)CC1 ZINC001328357272 1265537824 /nfs/dbraw/zinc/53/78/24/1265537824.db2.gz UBJZLMXYBYXLQD-UHFFFAOYSA-N 1 3 366.506 0.333 20 0 FCADHO O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000996721949 1251425188 /nfs/dbraw/zinc/42/51/88/1251425188.db2.gz WGQLBIKMRSLQME-QZWWFDLISA-N 1 3 357.458 0.542 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001518771853 1265679923 /nfs/dbraw/zinc/67/99/23/1265679923.db2.gz BUXLXCXHDXYCJR-VQHPVUNQSA-N 1 3 369.554 0.808 20 0 FCADHO C[C@@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001518771853 1265679935 /nfs/dbraw/zinc/67/99/35/1265679935.db2.gz BUXLXCXHDXYCJR-VQHPVUNQSA-N 1 3 369.554 0.808 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001329678463 1265811250 /nfs/dbraw/zinc/81/12/50/1265811250.db2.gz GYTJSRMIYHKBHQ-IWCQGFGOSA-N 1 3 366.506 0.317 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CN(C)C(C)C)CC[N@@H+]1C ZINC001061651360 1254198828 /nfs/dbraw/zinc/19/88/28/1254198828.db2.gz OAQNGFZHTZEDBJ-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CN(C)C(C)C)CC[N@H+]1C ZINC001061651360 1254198837 /nfs/dbraw/zinc/19/88/37/1254198837.db2.gz OAQNGFZHTZEDBJ-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222985 1255335124 /nfs/dbraw/zinc/33/51/24/1255335124.db2.gz ZUASXZCSNDZDPI-QXAKKESOSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222985 1255335133 /nfs/dbraw/zinc/33/51/33/1255335133.db2.gz ZUASXZCSNDZDPI-QXAKKESOSA-N 1 3 361.486 0.950 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3ccnn3C)C2)CC[N@@H+]1C ZINC001078404235 1255409080 /nfs/dbraw/zinc/40/90/80/1255409080.db2.gz WCMUBDZWYGXYGH-OKZBNKHCSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3ccnn3C)C2)CC[N@H+]1C ZINC001078404235 1255409084 /nfs/dbraw/zinc/40/90/84/1255409084.db2.gz WCMUBDZWYGXYGH-OKZBNKHCSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081229498 1256212433 /nfs/dbraw/zinc/21/24/33/1256212433.db2.gz PZGGBBWJGXAFOH-RCCFBDPRSA-N 1 3 358.486 0.930 20 0 FCADHO CO[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328597 1256670838 /nfs/dbraw/zinc/67/08/38/1256670838.db2.gz BIVIPEPDBOGKHO-KZNAEPCWSA-N 1 3 365.518 0.839 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082561922 1256859502 /nfs/dbraw/zinc/85/95/02/1256859502.db2.gz ZPYZEODROOZBQE-HLLBOEOZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082653357 1256956837 /nfs/dbraw/zinc/95/68/37/1256956837.db2.gz HALNTWCKGDGUHU-UYJRAODCSA-N 1 3 359.474 0.220 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccccn1 ZINC001082653478 1256956945 /nfs/dbraw/zinc/95/69/45/1256956945.db2.gz MPTYNPWVAOWGEL-CQNSDRIQSA-N 1 3 356.470 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccccn1 ZINC001082653478 1256956954 /nfs/dbraw/zinc/95/69/54/1256956954.db2.gz MPTYNPWVAOWGEL-CQNSDRIQSA-N 1 3 356.470 0.881 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775762 1258317207 /nfs/dbraw/zinc/31/72/07/1258317207.db2.gz TVHAQDSJQOWRGV-RCCFBDPRSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084775762 1258317216 /nfs/dbraw/zinc/31/72/16/1258317216.db2.gz TVHAQDSJQOWRGV-RCCFBDPRSA-N 1 3 362.518 0.873 20 0 FCADHO O=C(N1C[C@H]2CCN(C[C@@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778280 1258320497 /nfs/dbraw/zinc/32/04/97/1258320497.db2.gz OJONMVPBTMFLDW-OWCLPIDISA-N 1 3 356.474 0.394 20 0 FCADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721266 1258817340 /nfs/dbraw/zinc/81/73/40/1258817340.db2.gz KCBHMFHRCKCKFV-BRWVUGGUSA-N 1 3 362.518 0.777 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106663214 1258936000 /nfs/dbraw/zinc/93/60/00/1258936000.db2.gz WUUJQOKDEAINIP-IXDOHACOSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)C1 ZINC001106666826 1258937218 /nfs/dbraw/zinc/93/72/18/1258937218.db2.gz WYIYIWFRKQREHL-RRFJBIMHSA-N 1 3 363.462 0.639 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)Nc3ccon3)[C@H](C)C2)C1 ZINC001106666825 1258937250 /nfs/dbraw/zinc/93/72/50/1258937250.db2.gz WYIYIWFRKQREHL-RBSFLKMASA-N 1 3 363.462 0.639 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCc2ccco2)[C@H](C)C1 ZINC001106779410 1258961982 /nfs/dbraw/zinc/96/19/82/1258961982.db2.gz NMIKDPMNYQCILP-HZPDHXFCSA-N 1 3 364.490 0.922 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CCNC(=O)C2CC2)CC3)C1 ZINC001107632022 1259139895 /nfs/dbraw/zinc/13/98/95/1259139895.db2.gz MJFKROTZCXVCGR-MBOZVWFJSA-N 1 3 362.518 0.825 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CCNC(=O)C2CC2)CC3)C1 ZINC001107632022 1259139898 /nfs/dbraw/zinc/13/98/98/1259139898.db2.gz MJFKROTZCXVCGR-MBOZVWFJSA-N 1 3 362.518 0.825 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107646712 1259142673 /nfs/dbraw/zinc/14/26/73/1259142673.db2.gz ROQONNQRSIRLSX-VQIMIIECSA-N 1 3 365.522 0.713 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107646712 1259142676 /nfs/dbraw/zinc/14/26/76/1259142676.db2.gz ROQONNQRSIRLSX-VQIMIIECSA-N 1 3 365.522 0.713 20 0 FCADHO Cc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC001127643844 1259182887 /nfs/dbraw/zinc/18/28/87/1259182887.db2.gz NRURKNLJLWIHBT-GDBMZVCRSA-N 1 3 364.465 0.796 20 0 FCADHO Cc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC001127643844 1259182892 /nfs/dbraw/zinc/18/28/92/1259182892.db2.gz NRURKNLJLWIHBT-GDBMZVCRSA-N 1 3 364.465 0.796 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001200537580 1259415785 /nfs/dbraw/zinc/41/57/85/1259415785.db2.gz QYZKQMKVCMLLDR-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001200537580 1259415788 /nfs/dbraw/zinc/41/57/88/1259415788.db2.gz QYZKQMKVCMLLDR-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCCO[C@@H](CNCCF)C2)CC1 ZINC001200529696 1259415983 /nfs/dbraw/zinc/41/59/83/1259415983.db2.gz XIFNEEAPCSQTOD-KSZLIROESA-N 1 3 371.497 0.910 20 0 FCADHO CC(C)N(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537150 1259416112 /nfs/dbraw/zinc/41/61/12/1259416112.db2.gz MIMTYANMMVVATL-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CC(C)N(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537150 1259416115 /nfs/dbraw/zinc/41/61/15/1259416115.db2.gz MIMTYANMMVVATL-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001200536259 1259416328 /nfs/dbraw/zinc/41/63/28/1259416328.db2.gz CCEZWYQZBSVGHU-HYVNUMGLSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001200536259 1259416332 /nfs/dbraw/zinc/41/63/32/1259416332.db2.gz CCEZWYQZBSVGHU-HYVNUMGLSA-N 1 3 366.506 0.060 20 0 FCADHO CC(C)CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200546230 1259416755 /nfs/dbraw/zinc/41/67/55/1259416755.db2.gz AHUXGUPLROTMCE-IXDOHACOSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546230 1259416758 /nfs/dbraw/zinc/41/67/58/1259416758.db2.gz AHUXGUPLROTMCE-IXDOHACOSA-N 1 3 368.522 0.306 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCC(=O)Nc3cnccn3)CC2)CC[N@@H+]1C ZINC001200636590 1259419440 /nfs/dbraw/zinc/41/94/40/1259419440.db2.gz JHQBCHMGLVJVKF-UKRRQHHQSA-N 1 3 360.462 0.336 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCC(=O)Nc3cnccn3)CC2)CC[N@H+]1C ZINC001200636590 1259419444 /nfs/dbraw/zinc/41/94/44/1259419444.db2.gz JHQBCHMGLVJVKF-UKRRQHHQSA-N 1 3 360.462 0.336 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3c(OC)cncc3OC)C[C@H]1C2 ZINC001236027898 1259587456 /nfs/dbraw/zinc/58/74/56/1259587456.db2.gz PEQMYRBIQOWGQM-IZSNYMMISA-N 1 3 361.442 0.929 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cnc4c(c3)OCCO4)C[C@H]1C2 ZINC001236028872 1259587495 /nfs/dbraw/zinc/58/74/95/1259587495.db2.gz XNOPBQQCCQQZPF-GJRWTSMGSA-N 1 3 359.426 0.683 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3c(CO)cnc(C)c3[O-])C[C@H]1C2 ZINC001236028130 1259587571 /nfs/dbraw/zinc/58/75/71/1259587571.db2.gz DZKUBNJALYVAQE-FERZIJSQSA-N 1 3 361.442 0.418 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3c(CO)cnc(C)c3[O-])C[C@H]1C2 ZINC001236028130 1259587576 /nfs/dbraw/zinc/58/75/76/1259587576.db2.gz DZKUBNJALYVAQE-FERZIJSQSA-N 1 3 361.442 0.418 20 0 FCADHO O[C@@]1(CN2CCCn3cnc(CNC4CCOCC4)c3C2)CCC[NH2+]C1 ZINC001246042740 1259646771 /nfs/dbraw/zinc/64/67/71/1259646771.db2.gz HOIGVIHJEKTHSW-IBGZPJMESA-N 1 3 363.506 0.472 20 0 FCADHO c1ncn2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1cccnc1)C2 ZINC001246718646 1259668004 /nfs/dbraw/zinc/66/80/04/1259668004.db2.gz JMYZSSQYMHOHGD-SJORKVTESA-N 1 3 368.485 0.883 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461516 1259672090 /nfs/dbraw/zinc/67/20/90/1259672090.db2.gz WKKCPGDGFOOKFI-BZUAXINKSA-N 1 3 352.479 0.308 20 0 FCADHO CN(C)C(=O)[C@]12C[N@@H+](C3CCNCC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246748852 1259680255 /nfs/dbraw/zinc/68/02/55/1259680255.db2.gz POBSIJJBSLXZFO-VQIMIIECSA-N 1 3 358.490 0.588 20 0 FCADHO CN(C)C(=O)[C@]12C[N@H+](C3CCNCC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246748852 1259680263 /nfs/dbraw/zinc/68/02/63/1259680263.db2.gz POBSIJJBSLXZFO-VQIMIIECSA-N 1 3 358.490 0.588 20 0 FCADHO O=C1N(Cc2cccnc2)CC[C@]12CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752300 1259680705 /nfs/dbraw/zinc/68/07/05/1259680705.db2.gz ZCXZIUDIEKZDQS-ICSRJNTNSA-N 1 3 369.513 0.990 20 0 FCADHO c1ncn2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1ccccn1)C2 ZINC001246763389 1259683595 /nfs/dbraw/zinc/68/35/95/1259683595.db2.gz BWEGRHNYBQFKIJ-SJORKVTESA-N 1 3 368.485 0.883 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246851428 1259690287 /nfs/dbraw/zinc/69/02/87/1259690287.db2.gz GBYXZTUWRXVYGR-BIENJYKASA-N 1 3 374.489 0.416 20 0 FCADHO COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246920234 1259694524 /nfs/dbraw/zinc/69/45/24/1259694524.db2.gz DHOPMUSNGHSISE-OALUTQOASA-N 1 3 372.513 0.830 20 0 FCADHO CCOC[C@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001252041933 1259775840 /nfs/dbraw/zinc/77/58/40/1259775840.db2.gz WINPGVJODJFAJD-ZWKOTPCHSA-N 1 3 363.502 0.788 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825776 1260231255 /nfs/dbraw/zinc/23/12/55/1260231255.db2.gz HYFWOAZNEIBEKU-WMLDXEAASA-N 1 3 371.428 0.767 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825774 1260231546 /nfs/dbraw/zinc/23/15/46/1260231546.db2.gz HYFWOAZNEIBEKU-PBHICJAKSA-N 1 3 371.428 0.767 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN2CCN(CCC3CCOCC3)CC2)CC[N@@H+]1C ZINC001265258372 1260410087 /nfs/dbraw/zinc/41/00/87/1260410087.db2.gz HDJXDNLJEPAEBT-IEBWSBKVSA-N 1 3 366.550 0.877 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN2CCN(CCC3CCOCC3)CC2)CC[N@H+]1C ZINC001265258372 1260410092 /nfs/dbraw/zinc/41/00/92/1260410092.db2.gz HDJXDNLJEPAEBT-IEBWSBKVSA-N 1 3 366.550 0.877 20 0 FCADHO CCCCC[N@H+](C)CCC(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001272741636 1260495241 /nfs/dbraw/zinc/49/52/41/1260495241.db2.gz KDMLJTDPVYCNAV-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001272741636 1260495242 /nfs/dbraw/zinc/49/52/42/1260495242.db2.gz KDMLJTDPVYCNAV-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@H]2COC(C)(C)O2)C[C@]2(CCCC(=O)N2)C1 ZINC001279469835 1260875546 /nfs/dbraw/zinc/87/55/46/1260875546.db2.gz PZDRTCQHJOXOFL-LPHOPBHVSA-N 1 3 368.522 0.356 20 0 FCADHO C[NH+](C)CCN1CCO[C@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC001279500854 1260881263 /nfs/dbraw/zinc/88/12/63/1260881263.db2.gz FJXKPLTWFOCOPA-IRXDYDNUSA-N 1 3 368.522 0.800 20 0 FCADHO COCCN1CC2(C1)CCOC[C@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279720810 1260921073 /nfs/dbraw/zinc/92/10/73/1260921073.db2.gz JWWLCGULOGSPLW-INIZCTEOSA-N 1 3 365.478 0.368 20 0 FCADHO C[C@H]1C[C@H]1CN1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279825940 1260938988 /nfs/dbraw/zinc/93/89/88/1260938988.db2.gz IBRDXCNQKVEZOI-DARAHFNDSA-N 1 3 360.462 0.726 20 0 FCADHO CN(C)C(=O)CN1C[C@H]2CCCO[C@H]2[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914831 1260959082 /nfs/dbraw/zinc/95/90/82/1260959082.db2.gz VUQDNHDYGRIFFE-UWWQBHOKSA-N 1 3 366.506 0.012 20 0 FCADHO CCOC(=O)CCN1CC2(C1)CCOC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280091273 1260998424 /nfs/dbraw/zinc/99/84/24/1260998424.db2.gz LYJDEVSWIRZRJK-MRXNPFEDSA-N 1 3 367.490 0.489 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280119830 1261009386 /nfs/dbraw/zinc/00/93/86/1261009386.db2.gz GEQPWPGUPFQNGL-GJZGRUSLSA-N 1 3 355.446 0.360 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280119830 1261009391 /nfs/dbraw/zinc/00/93/91/1261009391.db2.gz GEQPWPGUPFQNGL-GJZGRUSLSA-N 1 3 355.446 0.360 20 0 FCADHO CN1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259445 1261043646 /nfs/dbraw/zinc/04/36/46/1261043646.db2.gz ONGARQPFRRNBLN-LMSBXDPUSA-N 1 3 361.490 0.847 20 0 FCADHO CN1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@H](CC(=O)NCc4c[nH]cn4)O[C@H]3C2)C1 ZINC001280259445 1261043649 /nfs/dbraw/zinc/04/36/49/1261043649.db2.gz ONGARQPFRRNBLN-LMSBXDPUSA-N 1 3 361.490 0.847 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001282300860 1261409154 /nfs/dbraw/zinc/40/91/54/1261409154.db2.gz IAKOJWUYVYIWBM-CVEARBPZSA-N 1 3 361.490 0.991 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001282300860 1261409157 /nfs/dbraw/zinc/40/91/57/1261409157.db2.gz IAKOJWUYVYIWBM-CVEARBPZSA-N 1 3 361.490 0.991 20 0 FCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C)N(C)C ZINC001282360078 1261427171 /nfs/dbraw/zinc/42/71/71/1261427171.db2.gz DEPFYFHXTAESLJ-HYVNUMGLSA-N 1 3 368.522 0.543 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CO)(CO)CC3)CC2)CC1 ZINC001332507673 1266419165 /nfs/dbraw/zinc/41/91/65/1266419165.db2.gz MBNWKVDJVYHEHY-UHFFFAOYSA-N 1 3 367.534 0.776 20 0 FCADHO COCCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001288246742 1262016211 /nfs/dbraw/zinc/01/62/11/1262016211.db2.gz NEQKGIVSBHDIAZ-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO COCCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001288246742 1262016218 /nfs/dbraw/zinc/01/62/18/1262016218.db2.gz NEQKGIVSBHDIAZ-HZPDHXFCSA-N 1 3 368.522 0.402 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC001290540238 1262467477 /nfs/dbraw/zinc/46/74/77/1262467477.db2.gz SNUSEHYIGCEYAV-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC001290540238 1262467481 /nfs/dbraw/zinc/46/74/81/1262467481.db2.gz SNUSEHYIGCEYAV-KSZLIROESA-N 1 3 364.534 0.977 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001479506749 1263234446 /nfs/dbraw/zinc/23/44/46/1263234446.db2.gz NMXQEOYFLGLRNP-BHYGNILZSA-N 1 3 365.522 0.663 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001580390171 1278220482 /nfs/dbraw/zinc/22/04/82/1278220482.db2.gz WKQAAPGLCUVQNM-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001580390171 1278220491 /nfs/dbraw/zinc/22/04/91/1278220491.db2.gz WKQAAPGLCUVQNM-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001580390171 1278220498 /nfs/dbraw/zinc/22/04/98/1278220498.db2.gz WKQAAPGLCUVQNM-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001580390171 1278220506 /nfs/dbraw/zinc/22/05/06/1278220506.db2.gz WKQAAPGLCUVQNM-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001325829783 1265005117 /nfs/dbraw/zinc/00/51/17/1265005117.db2.gz GEGDPUWZFWFNAF-RYQLBKOJSA-N 1 3 358.486 0.834 20 0 FCADHO NC1(CNC(=O)C(=O)N2CC=CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001326193395 1265076421 /nfs/dbraw/zinc/07/64/21/1265076421.db2.gz NYRKZEIJJAKZOW-UHFFFAOYSA-N 1 3 356.470 0.885 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001513391921 1265089708 /nfs/dbraw/zinc/08/97/08/1265089708.db2.gz IPQPNNFXEOOXKT-NUJGCVRESA-N 1 3 368.522 0.399 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC001332673706 1266458505 /nfs/dbraw/zinc/45/85/05/1266458505.db2.gz YSKNNXBAEGUJQS-WFXMLNOXSA-N 1 3 372.513 0.863 20 0 FCADHO C[N@H+](CCCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC001334215999 1266892263 /nfs/dbraw/zinc/89/22/63/1266892263.db2.gz TUWZJSWGNKQXBJ-KRWDZBQOSA-N 1 3 366.506 0.347 20 0 FCADHO C[N@@H+](CCCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC001334215999 1266892280 /nfs/dbraw/zinc/89/22/80/1266892280.db2.gz TUWZJSWGNKQXBJ-KRWDZBQOSA-N 1 3 366.506 0.347 20 0 FCADHO Cn1cc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001548938260 1267773645 /nfs/dbraw/zinc/77/36/45/1267773645.db2.gz KUXMYSMAUGWSEV-HIFRSBDPSA-N 1 3 372.477 0.415 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937097 1267774720 /nfs/dbraw/zinc/77/47/20/1267774720.db2.gz FDHCOWXTCYVICR-JSGCOSHPSA-N 1 3 358.450 0.404 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC001549045833 1267795396 /nfs/dbraw/zinc/79/53/96/1267795396.db2.gz ALNHCDYADDEVBG-RHSMWYFYSA-N 1 3 372.429 0.101 20 0 FCADHO CCN1CCN(CCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001338718658 1268059657 /nfs/dbraw/zinc/05/96/57/1268059657.db2.gz GXXRKDBMZCUJQH-MRXNPFEDSA-N 1 3 374.485 0.261 20 0 FCADHO CC(C)(C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC001550205084 1268090406 /nfs/dbraw/zinc/09/04/06/1268090406.db2.gz VQLUCNYGANSDMA-UHFFFAOYSA-N 1 3 365.522 0.003 20 0 FCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)c1ccnn1CCN(C)C)[C@@H](O)C2 ZINC001550478241 1268124389 /nfs/dbraw/zinc/12/43/89/1268124389.db2.gz MIKBSILUEBSNEG-WMEZAQDKSA-N 1 3 363.506 0.654 20 0 FCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)c1ccnn1CCN(C)C)[C@@H](O)C2 ZINC001550478241 1268124393 /nfs/dbraw/zinc/12/43/93/1268124393.db2.gz MIKBSILUEBSNEG-WMEZAQDKSA-N 1 3 363.506 0.654 20 0 FCADHO COc1cccc(NC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC001550913856 1268184476 /nfs/dbraw/zinc/18/44/76/1268184476.db2.gz QAYVDTJMBKVDRM-LPHOPBHVSA-N 1 3 360.458 0.870 20 0 FCADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912658 1268184755 /nfs/dbraw/zinc/18/47/55/1268184755.db2.gz JKSSPNXZNQRJNK-PSFFPDNBSA-N 1 3 350.507 0.918 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+](C)C)N(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001550980903 1268188005 /nfs/dbraw/zinc/18/80/05/1268188005.db2.gz SDHQEFZAPHMYSC-BRWVUGGUSA-N 1 3 354.495 0.600 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001552013513 1268352635 /nfs/dbraw/zinc/35/26/35/1268352635.db2.gz SYKMQEDIJRSBJB-MLHJIOFPSA-N 1 3 366.506 0.744 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001552127631 1268387275 /nfs/dbraw/zinc/38/72/75/1268387275.db2.gz VZMQCVXVYBXWFR-RBSFLKMASA-N 1 3 350.467 0.554 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001552127631 1268387285 /nfs/dbraw/zinc/38/72/85/1268387285.db2.gz VZMQCVXVYBXWFR-RBSFLKMASA-N 1 3 350.467 0.554 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552153386 1268395067 /nfs/dbraw/zinc/39/50/67/1268395067.db2.gz DSQRCPCKXIGBCL-IRXDYDNUSA-N 1 3 350.507 0.635 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)C2)CC1 ZINC001552168813 1268400736 /nfs/dbraw/zinc/40/07/36/1268400736.db2.gz WGOLUOLSSGLMAO-CVEARBPZSA-N 1 3 361.494 0.053 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552201429 1268408247 /nfs/dbraw/zinc/40/82/47/1268408247.db2.gz WABALHHKDBQEDA-QUCCMNQESA-N 1 3 358.486 0.286 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202166 1268408279 /nfs/dbraw/zinc/40/82/79/1268408279.db2.gz BUAIZRWHICNVGJ-CTNGQTDRSA-N 1 3 372.513 0.676 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)cc2)CC1 ZINC001552202895 1268409323 /nfs/dbraw/zinc/40/93/23/1268409323.db2.gz SKVBZHKWFLWQAL-XLIONFOSSA-N 1 3 358.486 0.999 20 0 FCADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3C[C@@H]3C3CC[NH2+]CC3)c2)nn1 ZINC001552275489 1268430844 /nfs/dbraw/zinc/43/08/44/1268430844.db2.gz PLAQSSQJVOXDLI-MSOLQXFVSA-N 1 3 354.458 0.978 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283885 1268433293 /nfs/dbraw/zinc/43/32/93/1268433293.db2.gz VIOWFZLBOSEXPL-CIWUYKSXSA-N 1 3 365.518 0.960 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283893 1268433473 /nfs/dbraw/zinc/43/34/73/1268433473.db2.gz VIOWFZLBOSEXPL-WQDJSCAQSA-N 1 3 365.518 0.960 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CC1 ZINC001552692556 1268521566 /nfs/dbraw/zinc/52/15/66/1268521566.db2.gz JZGZJCSKXPIGGP-UHFFFAOYSA-N 1 3 374.489 0.257 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552693340 1268521873 /nfs/dbraw/zinc/52/18/73/1268521873.db2.gz AIGMCHRUVLJIOE-BFYDXBDKSA-N 1 3 363.510 0.476 20 0 FCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001340397058 1268534934 /nfs/dbraw/zinc/53/49/34/1268534934.db2.gz DCYIEVIERSFQNL-ICSRJNTNSA-N 1 3 361.486 0.898 20 0 FCADHO CN1CCN([C@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770519 1268543057 /nfs/dbraw/zinc/54/30/57/1268543057.db2.gz WLDDCAGAACJWHI-KRWDZBQOSA-N 1 3 366.554 0.044 20 0 FCADHO CN1CCN([C@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770519 1268543067 /nfs/dbraw/zinc/54/30/67/1268543067.db2.gz WLDDCAGAACJWHI-KRWDZBQOSA-N 1 3 366.554 0.044 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC001552976092 1268572035 /nfs/dbraw/zinc/57/20/35/1268572035.db2.gz MRJMJQDTNBOJFX-UHFFFAOYSA-N 1 3 356.514 0.791 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC001552976092 1268572039 /nfs/dbraw/zinc/57/20/39/1268572039.db2.gz MRJMJQDTNBOJFX-UHFFFAOYSA-N 1 3 356.514 0.791 20 0 FCADHO CN1CC[C@@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368424 1268638317 /nfs/dbraw/zinc/63/83/17/1268638317.db2.gz GSMLDZOJIHQKEZ-YLJYHZDGSA-N 1 3 364.534 0.679 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553405796 1268644985 /nfs/dbraw/zinc/64/49/85/1268644985.db2.gz DPHCKEKDUZJSEI-AABGKKOBSA-N 1 3 372.513 0.960 20 0 FCADHO O=C(N[C@H]1C[NH2+]CC12CCOCC2)NC1CCN([C@H]2CCOC2)CC1 ZINC001553512049 1268661075 /nfs/dbraw/zinc/66/10/75/1268661075.db2.gz VEITZNIKSQHYAF-HOTGVXAUSA-N 1 3 352.479 0.308 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001341117986 1268792371 /nfs/dbraw/zinc/79/23/71/1268792371.db2.gz CBJFJTRITKNEAM-OKZBNKHCSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001580534521 1278462139 /nfs/dbraw/zinc/46/21/39/1278462139.db2.gz VGGYKXJPIZHQOW-RHSMWYFYSA-N 1 3 366.893 0.549 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925171 1269521072 /nfs/dbraw/zinc/52/10/72/1269521072.db2.gz WACDNVYCXHIHCN-BHYGNILZSA-N 1 3 363.506 0.823 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1)N(C)C ZINC001343089235 1269765018 /nfs/dbraw/zinc/76/50/18/1269765018.db2.gz ULSVKFZRUMAPPA-QKPAOTATSA-N 1 3 356.511 0.255 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](O)[C@H](CO)C3)CC2)CC1 ZINC001570401650 1269877018 /nfs/dbraw/zinc/87/70/18/1269877018.db2.gz KNWVEBJHMIZXNH-WMZOPIPTSA-N 1 3 353.507 0.384 20 0 FCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574592736 1271392267 /nfs/dbraw/zinc/39/22/67/1271392267.db2.gz KMXGOHMQQSHUCH-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574592736 1271392274 /nfs/dbraw/zinc/39/22/74/1271392274.db2.gz KMXGOHMQQSHUCH-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598415 1271401864 /nfs/dbraw/zinc/40/18/64/1271401864.db2.gz QJKMWLZKIZYRDW-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574598415 1271401866 /nfs/dbraw/zinc/40/18/66/1271401866.db2.gz QJKMWLZKIZYRDW-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598415 1271401869 /nfs/dbraw/zinc/40/18/69/1271401869.db2.gz QJKMWLZKIZYRDW-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574598415 1271401871 /nfs/dbraw/zinc/40/18/71/1271401871.db2.gz QJKMWLZKIZYRDW-XJKSGUPXSA-N 1 3 357.462 0.803 20 0 FCADHO CC(C)(C)OC(=O)NCCN(CCCC1CC[NH2+]CC1)C[C@H](O)CO ZINC001575223458 1271821492 /nfs/dbraw/zinc/82/14/92/1271821492.db2.gz IMJAZIULPGPVLG-INIZCTEOSA-N 1 3 359.511 0.946 20 0 FCADHO C[C@@H](NCc1c[nH]nn1)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702092 1272325298 /nfs/dbraw/zinc/32/52/98/1272325298.db2.gz KMBFZNVONQUEJC-GDBMZVCRSA-N 1 3 350.467 0.386 20 0 FCADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CC[NH+](C)C ZINC001576024794 1272728100 /nfs/dbraw/zinc/72/81/00/1272728100.db2.gz PSZKWSOMUAVZHQ-ZFWWWQNUSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CC[NH+](C)C ZINC001576024794 1272728106 /nfs/dbraw/zinc/72/81/06/1272728106.db2.gz PSZKWSOMUAVZHQ-ZFWWWQNUSA-N 1 3 357.462 0.897 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794290 1273696103 /nfs/dbraw/zinc/69/61/03/1273696103.db2.gz DUELENXRHQOBGK-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794290 1273696107 /nfs/dbraw/zinc/69/61/07/1273696107.db2.gz DUELENXRHQOBGK-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794290 1273696119 /nfs/dbraw/zinc/69/61/19/1273696119.db2.gz DUELENXRHQOBGK-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794290 1273696127 /nfs/dbraw/zinc/69/61/27/1273696127.db2.gz DUELENXRHQOBGK-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001576802178 1273707195 /nfs/dbraw/zinc/70/71/95/1273707195.db2.gz WKEZRFRBIGTWCJ-CABCVRRESA-N 1 3 354.495 0.982 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902200 1273906309 /nfs/dbraw/zinc/90/63/09/1273906309.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 1 3 364.494 0.165 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902200 1273906316 /nfs/dbraw/zinc/90/63/16/1273906316.db2.gz CCNUUXNAIWXHNQ-WMZOPIPTSA-N 1 3 364.494 0.165 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001576903578 1273910399 /nfs/dbraw/zinc/91/03/99/1273910399.db2.gz HNEIWOXOVVRLDY-KRWDZBQOSA-N 1 3 363.510 0.303 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001576903578 1273910405 /nfs/dbraw/zinc/91/04/05/1273910405.db2.gz HNEIWOXOVVRLDY-KRWDZBQOSA-N 1 3 363.510 0.303 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902882 1273911647 /nfs/dbraw/zinc/91/16/47/1273911647.db2.gz GHEAOACJRZJPSZ-JKSUJKDBSA-N 1 3 362.478 0.181 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1COC2(CN(CCc3c[nH]nn3)C2)C1 ZINC001576902882 1273911652 /nfs/dbraw/zinc/91/16/52/1273911652.db2.gz GHEAOACJRZJPSZ-JKSUJKDBSA-N 1 3 362.478 0.181 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673648 1274708572 /nfs/dbraw/zinc/70/85/72/1274708572.db2.gz SYCRDRTWMOXDGM-OAHLLOKOSA-N 1 3 372.477 0.997 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577673648 1274708583 /nfs/dbraw/zinc/70/85/83/1274708583.db2.gz SYCRDRTWMOXDGM-OAHLLOKOSA-N 1 3 372.477 0.997 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001577859458 1275017735 /nfs/dbraw/zinc/01/77/35/1275017735.db2.gz IBWYHPSZGSIDRE-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001577859458 1275017743 /nfs/dbraw/zinc/01/77/43/1275017743.db2.gz IBWYHPSZGSIDRE-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001577859458 1275017749 /nfs/dbraw/zinc/01/77/49/1275017749.db2.gz IBWYHPSZGSIDRE-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001577859458 1275017755 /nfs/dbraw/zinc/01/77/55/1275017755.db2.gz IBWYHPSZGSIDRE-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO CCOC1CC(CNCc2cc(C3C[NH2+]C3)no2)(N2CCOCC2)C1 ZINC001578087261 1275389363 /nfs/dbraw/zinc/38/93/63/1275389363.db2.gz HGZULQQPPUSJML-UHFFFAOYSA-N 1 3 350.463 0.721 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529657 1275961895 /nfs/dbraw/zinc/96/18/95/1275961895.db2.gz WXJRTFUKHRZWRR-CABCVRRESA-N 1 3 351.495 0.323 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC001578529659 1275962494 /nfs/dbraw/zinc/96/24/94/1275962494.db2.gz WXJRTFUKHRZWRR-HUUCEWRRSA-N 1 3 351.495 0.323 20 0 FCADHO COC(=O)C1=C(C)O[C@@H](CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784194 1276265245 /nfs/dbraw/zinc/26/52/45/1276265245.db2.gz RYSUIHXIQDNEKH-MXYBEHONSA-N 1 3 351.403 0.089 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001578970998 1276516444 /nfs/dbraw/zinc/51/64/44/1276516444.db2.gz QCTFBTNDNTVSGH-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001578973537 1276520960 /nfs/dbraw/zinc/52/09/60/1276520960.db2.gz RWZNOOJXIKACPL-GASCZTMLSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001578973537 1276520961 /nfs/dbraw/zinc/52/09/61/1276520961.db2.gz RWZNOOJXIKACPL-GASCZTMLSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578980372 1276540021 /nfs/dbraw/zinc/54/00/21/1276540021.db2.gz IBVGTBRLPORNKN-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578980372 1276540028 /nfs/dbraw/zinc/54/00/28/1276540028.db2.gz IBVGTBRLPORNKN-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578980372 1276540038 /nfs/dbraw/zinc/54/00/38/1276540038.db2.gz IBVGTBRLPORNKN-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578980372 1276540043 /nfs/dbraw/zinc/54/00/43/1276540043.db2.gz IBVGTBRLPORNKN-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001578988494 1276562575 /nfs/dbraw/zinc/56/25/75/1276562575.db2.gz YEKSDKVEEXXAHU-BETUJISGSA-N 1 3 361.425 0.694 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001578988494 1276562579 /nfs/dbraw/zinc/56/25/79/1276562579.db2.gz YEKSDKVEEXXAHU-BETUJISGSA-N 1 3 361.425 0.694 20 0 FCADHO CN(CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579131558 1276822942 /nfs/dbraw/zinc/82/29/42/1276822942.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 1 3 357.462 0.709 20 0 FCADHO CN(CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001579131558 1276822955 /nfs/dbraw/zinc/82/29/55/1276822955.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 1 3 357.462 0.709 20 0 FCADHO CN(CC[NH+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001579131558 1276822965 /nfs/dbraw/zinc/82/29/65/1276822965.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 1 3 357.462 0.709 20 0 FCADHO CN(CC[NH+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001579131558 1276822983 /nfs/dbraw/zinc/82/29/83/1276822983.db2.gz ARBNCPMNDFURKU-OAHLLOKOSA-N 1 3 357.462 0.709 20 0 FCADHO Cc1n[nH]c(C)c1NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713160422 1287267694 /nfs/dbraw/zinc/26/76/94/1287267694.db2.gz KZHBFORWLGJNFF-KBUPBQIOSA-N 1 3 362.478 0.542 20 0 FCADHO Cc1n[nH]c(C)c1NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713160422 1287267697 /nfs/dbraw/zinc/26/76/97/1287267697.db2.gz KZHBFORWLGJNFF-KBUPBQIOSA-N 1 3 362.478 0.542 20 0 FCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579323552 1277140607 /nfs/dbraw/zinc/14/06/07/1277140607.db2.gz VZVBELOADURVGA-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579323552 1277140610 /nfs/dbraw/zinc/14/06/10/1277140610.db2.gz VZVBELOADURVGA-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001579323552 1277140614 /nfs/dbraw/zinc/14/06/14/1277140614.db2.gz VZVBELOADURVGA-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001579323552 1277140616 /nfs/dbraw/zinc/14/06/16/1277140616.db2.gz VZVBELOADURVGA-GTPINHCMSA-N 1 3 369.473 0.897 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579326238 1277150399 /nfs/dbraw/zinc/15/03/99/1277150399.db2.gz IKRNJQWXCCTITR-IUODEOHRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579326238 1277150403 /nfs/dbraw/zinc/15/04/03/1277150403.db2.gz IKRNJQWXCCTITR-IUODEOHRSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326968 1277151793 /nfs/dbraw/zinc/15/17/93/1277151793.db2.gz NJHOPNUITNHSMT-GOEBONIOSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326968 1277151799 /nfs/dbraw/zinc/15/17/99/1277151799.db2.gz NJHOPNUITNHSMT-GOEBONIOSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326968 1277151806 /nfs/dbraw/zinc/15/18/06/1277151806.db2.gz NJHOPNUITNHSMT-GOEBONIOSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326968 1277151810 /nfs/dbraw/zinc/15/18/10/1277151810.db2.gz NJHOPNUITNHSMT-GOEBONIOSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579326809 1277152320 /nfs/dbraw/zinc/15/23/20/1277152320.db2.gz MQPRWESWYBGUEV-KBPBESRZSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579326809 1277152322 /nfs/dbraw/zinc/15/23/22/1277152322.db2.gz MQPRWESWYBGUEV-KBPBESRZSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327511 1277154326 /nfs/dbraw/zinc/15/43/26/1277154326.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001579327511 1277154329 /nfs/dbraw/zinc/15/43/29/1277154329.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001579327511 1277154331 /nfs/dbraw/zinc/15/43/31/1277154331.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 1 3 369.473 0.851 20 0 FCADHO C[NH+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001579327511 1277154333 /nfs/dbraw/zinc/15/43/33/1277154333.db2.gz UZLWRSCZXSEOQH-CVEARBPZSA-N 1 3 369.473 0.851 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579338608 1277181246 /nfs/dbraw/zinc/18/12/46/1277181246.db2.gz RNUJGYVZSFFZID-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579338608 1277181248 /nfs/dbraw/zinc/18/12/48/1277181248.db2.gz RNUJGYVZSFFZID-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579338608 1277181249 /nfs/dbraw/zinc/18/12/49/1277181249.db2.gz RNUJGYVZSFFZID-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579338608 1277181250 /nfs/dbraw/zinc/18/12/50/1277181250.db2.gz RNUJGYVZSFFZID-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1c(C[C@@H](CN)C[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cnn1C ZINC001579529472 1277493188 /nfs/dbraw/zinc/49/31/88/1277493188.db2.gz IQYQEMSYPRYVND-ZDUSSCGKSA-N 1 3 350.467 0.156 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015151 1277991312 /nfs/dbraw/zinc/99/13/12/1277991312.db2.gz NQNHZEMBXOBXIW-OCCSQVGLSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015151 1277991317 /nfs/dbraw/zinc/99/13/17/1277991317.db2.gz NQNHZEMBXOBXIW-OCCSQVGLSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015151 1277991319 /nfs/dbraw/zinc/99/13/19/1277991319.db2.gz NQNHZEMBXOBXIW-OCCSQVGLSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015151 1277991325 /nfs/dbraw/zinc/99/13/25/1277991325.db2.gz NQNHZEMBXOBXIW-OCCSQVGLSA-N 1 3 373.461 0.421 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580279699 1278078474 /nfs/dbraw/zinc/07/84/74/1278078474.db2.gz DHGOOMOUXWFUOH-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580279699 1278078480 /nfs/dbraw/zinc/07/84/80/1278078480.db2.gz DHGOOMOUXWFUOH-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580279699 1278078489 /nfs/dbraw/zinc/07/84/89/1278078489.db2.gz DHGOOMOUXWFUOH-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580279699 1278078498 /nfs/dbraw/zinc/07/84/98/1278078498.db2.gz DHGOOMOUXWFUOH-GZBFAFLISA-N 1 3 357.462 0.801 20 0 FCADHO Cc1cc(N[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995054 1279205567 /nfs/dbraw/zinc/20/55/67/1279205567.db2.gz WMBYGDBCQBXGDK-WFASDCNBSA-N 1 3 360.466 0.495 20 0 FCADHO Cc1cc(NCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026506 1279259920 /nfs/dbraw/zinc/25/99/20/1279259920.db2.gz LVXHFGYIMBDLNL-STQMWFEESA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(NCC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026506 1279259928 /nfs/dbraw/zinc/25/99/28/1279259928.db2.gz LVXHFGYIMBDLNL-STQMWFEESA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(NCCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027846 1279263406 /nfs/dbraw/zinc/26/34/06/1279263406.db2.gz YXQCKMKPRPNPFS-INIZCTEOSA-N 1 3 372.477 0.783 20 0 FCADHO Cc1cc(NCCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027846 1279263408 /nfs/dbraw/zinc/26/34/08/1279263408.db2.gz YXQCKMKPRPNPFS-INIZCTEOSA-N 1 3 372.477 0.783 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028452 1279264433 /nfs/dbraw/zinc/26/44/33/1279264433.db2.gz YLKPLVDDUVDGLQ-UHFFFAOYSA-N 1 3 374.493 0.840 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028452 1279264442 /nfs/dbraw/zinc/26/44/42/1279264442.db2.gz YLKPLVDDUVDGLQ-UHFFFAOYSA-N 1 3 374.493 0.840 20 0 FCADHO Cc1cc(NC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031904 1279269231 /nfs/dbraw/zinc/26/92/31/1279269231.db2.gz MQEQBUWQJHYHTA-YPMHNXCESA-N 1 3 358.450 0.250 20 0 FCADHO Cc1cc(NC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581031904 1279269240 /nfs/dbraw/zinc/26/92/40/1279269240.db2.gz MQEQBUWQJHYHTA-YPMHNXCESA-N 1 3 358.450 0.250 20 0 FCADHO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581039277 1279277617 /nfs/dbraw/zinc/27/76/17/1279277617.db2.gz RKQWYROUSCRJIV-XEZPLFJOSA-N 1 3 372.477 0.637 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001683308306 1283939319 /nfs/dbraw/zinc/93/93/19/1283939319.db2.gz PVQCVHQYJAHATN-ARFHVFGLSA-N 1 3 366.506 0.012 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175693 1284264933 /nfs/dbraw/zinc/26/49/33/1284264933.db2.gz RNUJGYVZSFFZID-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175693 1284264939 /nfs/dbraw/zinc/26/49/39/1284264939.db2.gz RNUJGYVZSFFZID-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175693 1284264947 /nfs/dbraw/zinc/26/49/47/1284264947.db2.gz RNUJGYVZSFFZID-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175693 1284264955 /nfs/dbraw/zinc/26/49/55/1284264955.db2.gz RNUJGYVZSFFZID-XIRDDKMYSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175340 1284267640 /nfs/dbraw/zinc/26/76/40/1284267640.db2.gz LOOKPUWGVVKOMV-RGDDUWESSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591175340 1284267653 /nfs/dbraw/zinc/26/76/53/1284267653.db2.gz LOOKPUWGVVKOMV-RGDDUWESSA-N 1 3 355.446 0.580 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591176645 1284269281 /nfs/dbraw/zinc/26/92/81/1284269281.db2.gz SCPYMBXNVQHZCQ-OAHLLOKOSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591176645 1284269291 /nfs/dbraw/zinc/26/92/91/1284269291.db2.gz SCPYMBXNVQHZCQ-OAHLLOKOSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591176645 1284269303 /nfs/dbraw/zinc/26/93/03/1284269303.db2.gz SCPYMBXNVQHZCQ-OAHLLOKOSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591176645 1284269317 /nfs/dbraw/zinc/26/93/17/1284269317.db2.gz SCPYMBXNVQHZCQ-OAHLLOKOSA-N 1 3 357.462 0.804 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)CCC1 ZINC001719106862 1287749252 /nfs/dbraw/zinc/74/92/52/1287749252.db2.gz SLNBFYKUKGLPOM-HZPDHXFCSA-N 1 3 366.506 0.035 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001604849232 1287797059 /nfs/dbraw/zinc/79/70/59/1287797059.db2.gz GBOCUDNOWGEOMH-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001604849232 1287797065 /nfs/dbraw/zinc/79/70/65/1287797065.db2.gz GBOCUDNOWGEOMH-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001604849232 1287797067 /nfs/dbraw/zinc/79/70/67/1287797067.db2.gz GBOCUDNOWGEOMH-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001604849232 1287797075 /nfs/dbraw/zinc/79/70/75/1287797075.db2.gz GBOCUDNOWGEOMH-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001702419201 1285661607 /nfs/dbraw/zinc/66/16/07/1285661607.db2.gz DMTYQFAHZAXNBG-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1O ZINC001735945024 1289067324 /nfs/dbraw/zinc/06/73/24/1289067324.db2.gz JLJFNZPISFSVGZ-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1O ZINC001735945024 1289067329 /nfs/dbraw/zinc/06/73/29/1289067329.db2.gz JLJFNZPISFSVGZ-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1)N(C)C ZINC001719284904 1288027714 /nfs/dbraw/zinc/02/77/14/1288027714.db2.gz KOSSPDVDZYHTER-IKGGRYGDSA-N 1 3 368.522 0.281 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]21 ZINC001735722034 1288799148 /nfs/dbraw/zinc/79/91/48/1288799148.db2.gz OVMPSMPNZAJXEO-LZLYRXPVSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]21 ZINC001735722034 1288799152 /nfs/dbraw/zinc/79/91/52/1288799152.db2.gz OVMPSMPNZAJXEO-LZLYRXPVSA-N 1 3 352.523 0.974 20 0 FCADHO CO[C@@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001692130295 1289402038 /nfs/dbraw/zinc/40/20/38/1289402038.db2.gz HOAREAJSCJZXSK-OUCADQQQSA-N 1 3 351.451 0.263 20 0 FCADHO CO[C@@H](C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001692130295 1289402048 /nfs/dbraw/zinc/40/20/48/1289402048.db2.gz HOAREAJSCJZXSK-OUCADQQQSA-N 1 3 351.451 0.263 20 0 FCADHO CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001692278260 1289441471 /nfs/dbraw/zinc/44/14/71/1289441471.db2.gz ZVJZARGYGYLVTR-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](CO)[C@H](CO)C3)CC2)CC1 ZINC001630401827 1290666361 /nfs/dbraw/zinc/66/63/61/1290666361.db2.gz YGVMDTVHGAJMOG-IRXDYDNUSA-N 1 3 353.507 0.242 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)CCC[NH+](C)C)C[C@H]32)C1 ZINC001757248009 1290750222 /nfs/dbraw/zinc/75/02/22/1290750222.db2.gz ZHEJBFNJSDEGET-GVDBMIGSSA-N 1 3 350.507 0.729 20 0 FCADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001649432712 1291148685 /nfs/dbraw/zinc/14/86/85/1291148685.db2.gz AJWARLMKPYUWFH-CABCVRRESA-N 1 3 367.494 0.130 20 0 FCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC001656044626 1291495890 /nfs/dbraw/zinc/49/58/90/1291495890.db2.gz IGOLXUCTJKNASV-HNNXBMFYSA-N 1 3 364.490 0.675 20 0 FCADHO CCN(CCN[C@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435681 1291965658 /nfs/dbraw/zinc/96/56/58/1291965658.db2.gz OOWMWZJFOAJDDR-RBSFLKMASA-N 1 3 369.510 0.387 20 0 FCADHO CCN(CCN[C@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435681 1291965661 /nfs/dbraw/zinc/96/56/61/1291965661.db2.gz OOWMWZJFOAJDDR-RBSFLKMASA-N 1 3 369.510 0.387 20 0 FCADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC001679408582 1292303467 /nfs/dbraw/zinc/30/34/67/1292303467.db2.gz DETROLLMSQJOAP-SJLPKXTDSA-N 1 3 368.522 0.633 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC001685620100 1292575401 /nfs/dbraw/zinc/57/54/01/1292575401.db2.gz USZYFSXVYVNSKF-KURKYZTESA-N 1 3 368.522 0.510 20 0 FCADHO CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001689231821 1294690305 /nfs/dbraw/zinc/69/03/05/1294690305.db2.gz MGMUNWCGGIYVGA-SOLBZPMBSA-N 1 3 364.490 0.766 20 0 FCADHO CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001689231821 1294690321 /nfs/dbraw/zinc/69/03/21/1294690321.db2.gz MGMUNWCGGIYVGA-SOLBZPMBSA-N 1 3 364.490 0.766 20 0 FCADHO Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@H]3C2)cn1 ZINC001164766401 721075469 /nfs/dbraw/zinc/07/54/69/721075469.db2.gz KETJVTAKDSZUGX-DLBZAZTESA-N 1 3 367.501 0.857 20 0 FCADHO Cn1cc(CN2CC[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)C[C@H]3C2)cn1 ZINC001164765735 721165131 /nfs/dbraw/zinc/16/51/31/721165131.db2.gz IDYRALTXHANCFL-DOTOQJQBSA-N 1 3 353.474 0.814 20 0 FCADHO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(N)c1 ZINC001164872896 721281226 /nfs/dbraw/zinc/28/12/26/721281226.db2.gz HOTWGPGBHIVBEO-UHFFFAOYSA-N 1 3 361.490 0.979 20 0 FCADHO Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(N)c1 ZINC001164872896 721281231 /nfs/dbraw/zinc/28/12/31/721281231.db2.gz HOTWGPGBHIVBEO-UHFFFAOYSA-N 1 3 361.490 0.979 20 0 FCADHO CN1CCN(c2nccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)n2)CC1 ZINC001164929166 721884980 /nfs/dbraw/zinc/88/49/80/721884980.db2.gz AGYPVSHZQWLBHX-SJORKVTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929166 721884982 /nfs/dbraw/zinc/88/49/82/721884982.db2.gz AGYPVSHZQWLBHX-SJORKVTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929166 721884984 /nfs/dbraw/zinc/88/49/84/721884984.db2.gz AGYPVSHZQWLBHX-SJORKVTESA-N 1 3 359.522 0.443 20 0 FCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001070102402 837617652 /nfs/dbraw/zinc/61/76/52/837617652.db2.gz IFJBCGKZDZRTIW-PMPSAXMXSA-N 1 3 352.458 0.854 20 0 FCADHO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001070102402 837617654 /nfs/dbraw/zinc/61/76/54/837617654.db2.gz IFJBCGKZDZRTIW-PMPSAXMXSA-N 1 3 352.458 0.854 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001071062174 837721157 /nfs/dbraw/zinc/72/11/57/837721157.db2.gz OFLMFMDNSMAIEW-BJZITVGISA-N 1 3 353.507 0.837 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351836 844155343 /nfs/dbraw/zinc/15/53/43/844155343.db2.gz NUYIPQMDUYERQP-QAPCUYQASA-N 1 3 353.511 0.426 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101418432 844179919 /nfs/dbraw/zinc/17/99/19/844179919.db2.gz QVZWKFCYFUTQLE-QAPCUYQASA-N 1 3 351.495 0.134 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101418432 844179923 /nfs/dbraw/zinc/17/99/23/844179923.db2.gz QVZWKFCYFUTQLE-QAPCUYQASA-N 1 3 351.495 0.134 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001059678516 836639792 /nfs/dbraw/zinc/63/97/92/836639792.db2.gz VGFHRIIXUFAVOL-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001059678516 836639798 /nfs/dbraw/zinc/63/97/98/836639798.db2.gz VGFHRIIXUFAVOL-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)CC)C[C@H]2C)CC[N@@H+]1C ZINC001101983976 844361375 /nfs/dbraw/zinc/36/13/75/844361375.db2.gz TUACMRXQAXDKRY-WCXIOVBPSA-N 1 3 352.523 0.879 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)CC)C[C@H]2C)CC[N@H+]1C ZINC001101983976 844361388 /nfs/dbraw/zinc/36/13/88/844361388.db2.gz TUACMRXQAXDKRY-WCXIOVBPSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046035 844394996 /nfs/dbraw/zinc/39/49/96/844394996.db2.gz IYDJUSWZSDRPIW-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046035 844395002 /nfs/dbraw/zinc/39/50/02/844395002.db2.gz IYDJUSWZSDRPIW-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685258 839113158 /nfs/dbraw/zinc/11/31/58/839113158.db2.gz HESUKDWZAPYKAT-BZUAXINKSA-N 1 3 353.507 0.695 20 0 FCADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685258 839113162 /nfs/dbraw/zinc/11/31/62/839113162.db2.gz HESUKDWZAPYKAT-BZUAXINKSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1C)[NH+](C)C ZINC001102066482 844402600 /nfs/dbraw/zinc/40/26/00/844402600.db2.gz NOYNJQWXGXPPCX-RKVPGOIHSA-N 1 3 352.523 0.878 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077779170 839153174 /nfs/dbraw/zinc/15/31/74/839153174.db2.gz FYUHURIQWVYAAW-RCCFBDPRSA-N 1 3 353.507 0.696 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077923802 839233525 /nfs/dbraw/zinc/23/35/25/839233525.db2.gz FGNSHTLYRZVOJY-KBAYOESNSA-N 1 3 353.507 0.695 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287149 844458420 /nfs/dbraw/zinc/45/84/20/844458420.db2.gz PKBZDQOVTFFURS-HZPDHXFCSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366657 844476683 /nfs/dbraw/zinc/47/66/83/844476683.db2.gz MRMVQAWUFLZWCP-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366657 844476690 /nfs/dbraw/zinc/47/66/90/844476690.db2.gz MRMVQAWUFLZWCP-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CO[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081893523 840089322 /nfs/dbraw/zinc/08/93/22/840089322.db2.gz VDFILABFARAYRH-BRWVUGGUSA-N 1 3 351.491 0.857 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102475240 844516136 /nfs/dbraw/zinc/51/61/36/844516136.db2.gz FRMKYDIELXPXAI-BRWVUGGUSA-N 1 3 359.511 0.036 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102475240 844516143 /nfs/dbraw/zinc/51/61/43/844516143.db2.gz FRMKYDIELXPXAI-BRWVUGGUSA-N 1 3 359.511 0.036 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001082522116 840448266 /nfs/dbraw/zinc/44/82/66/840448266.db2.gz STMKFABGHZGRGV-YYIAUSFCSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001082522116 840448273 /nfs/dbraw/zinc/44/82/73/840448273.db2.gz STMKFABGHZGRGV-YYIAUSFCSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515224 844546487 /nfs/dbraw/zinc/54/64/87/844546487.db2.gz JLRATYNALSDXHY-HUUCEWRRSA-N 1 3 350.507 0.681 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524870 844553725 /nfs/dbraw/zinc/55/37/25/844553725.db2.gz ATVNPSIFVFIGBB-NVXWUHKLSA-N 1 3 356.511 0.165 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102524870 844553732 /nfs/dbraw/zinc/55/37/32/844553732.db2.gz ATVNPSIFVFIGBB-NVXWUHKLSA-N 1 3 356.511 0.165 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578270 844573698 /nfs/dbraw/zinc/57/36/98/844573698.db2.gz TVBANOOWBYECNU-DJIMGWMZSA-N 1 3 350.507 0.491 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578270 844573699 /nfs/dbraw/zinc/57/36/99/844573699.db2.gz TVBANOOWBYECNU-DJIMGWMZSA-N 1 3 350.507 0.491 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102600066 844590879 /nfs/dbraw/zinc/59/08/79/844590879.db2.gz KNDSRARNGXJPJP-BRWVUGGUSA-N 1 3 351.495 0.268 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102600066 844590884 /nfs/dbraw/zinc/59/08/84/844590884.db2.gz KNDSRARNGXJPJP-BRWVUGGUSA-N 1 3 351.495 0.268 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102600917 844592822 /nfs/dbraw/zinc/59/28/22/844592822.db2.gz CBJGSFFWVJCFEM-HUUCEWRRSA-N 1 3 352.479 0.160 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102600917 844592824 /nfs/dbraw/zinc/59/28/24/844592824.db2.gz CBJGSFFWVJCFEM-HUUCEWRRSA-N 1 3 352.479 0.160 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083523239 841121022 /nfs/dbraw/zinc/12/10/22/841121022.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001083523239 841121025 /nfs/dbraw/zinc/12/10/25/841121025.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001083523239 841121036 /nfs/dbraw/zinc/12/10/36/841121036.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001083523239 841121043 /nfs/dbraw/zinc/12/10/43/841121043.db2.gz UZNLPPRCJLOSMN-SQNIBIBYSA-N 1 3 351.491 0.591 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCCC1 ZINC001083750352 841393225 /nfs/dbraw/zinc/39/32/25/841393225.db2.gz RVDLJDHNKNHVJS-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083833022 841477379 /nfs/dbraw/zinc/47/73/79/841477379.db2.gz FYUHURIQWVYAAW-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087058809 842253803 /nfs/dbraw/zinc/25/38/03/842253803.db2.gz CAFHLDNZZHLXSL-UKRRQHHQSA-N 1 3 367.519 0.976 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087088280 842280341 /nfs/dbraw/zinc/28/03/41/842280341.db2.gz QYSVKCKLMRZFKK-NVXWUHKLSA-N 1 3 350.463 0.832 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577827 842616499 /nfs/dbraw/zinc/61/64/99/842616499.db2.gz QUYOTLMPXOMNCY-VQHPVUNQSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088577827 842616504 /nfs/dbraw/zinc/61/65/04/842616504.db2.gz QUYOTLMPXOMNCY-VQHPVUNQSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001092620298 843255032 /nfs/dbraw/zinc/25/50/32/843255032.db2.gz AEEHCXNALLGZHW-KCYZZUKISA-N 1 3 350.507 0.632 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001092620298 843255043 /nfs/dbraw/zinc/25/50/43/843255043.db2.gz AEEHCXNALLGZHW-KCYZZUKISA-N 1 3 350.507 0.632 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093281731 843421029 /nfs/dbraw/zinc/42/10/29/843421029.db2.gz UHIMOASVMVUJTL-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094043987 843507600 /nfs/dbraw/zinc/50/76/00/843507600.db2.gz HCTXTHXCYKVTGK-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780875 844646654 /nfs/dbraw/zinc/64/66/54/844646654.db2.gz SDGUIRPPTAVEHZ-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780875 844646657 /nfs/dbraw/zinc/64/66/57/844646657.db2.gz SDGUIRPPTAVEHZ-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090542 844698725 /nfs/dbraw/zinc/69/87/25/844698725.db2.gz XUEFPXTWXZJZNQ-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090542 844698728 /nfs/dbraw/zinc/69/87/28/844698728.db2.gz XUEFPXTWXZJZNQ-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001103359279 844743357 /nfs/dbraw/zinc/74/33/57/844743357.db2.gz SBUJMYXVBJABDU-ZACQAIPSSA-N 1 3 352.523 0.929 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001103359279 844743365 /nfs/dbraw/zinc/74/33/65/844743365.db2.gz SBUJMYXVBJABDU-ZACQAIPSSA-N 1 3 352.523 0.929 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647002 844794777 /nfs/dbraw/zinc/79/47/77/844794777.db2.gz PGEUWVPLGRGEQF-HZPDHXFCSA-N 1 3 350.507 0.683 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663528 844797498 /nfs/dbraw/zinc/79/74/98/844797498.db2.gz GIKCHUFOURIZNZ-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103663528 844797506 /nfs/dbraw/zinc/79/75/06/844797506.db2.gz GIKCHUFOURIZNZ-KFWWJZLASA-N 1 3 352.479 0.208 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718885 844807498 /nfs/dbraw/zinc/80/74/98/844807498.db2.gz IVTVFHHKUHLPIY-DJIMGWMZSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718885 844807508 /nfs/dbraw/zinc/80/75/08/844807508.db2.gz IVTVFHHKUHLPIY-DJIMGWMZSA-N 1 3 350.507 0.539 20 0 FCADHO CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103721435 844807878 /nfs/dbraw/zinc/80/78/78/844807878.db2.gz SHVHPISZWYTZEG-BRWVUGGUSA-N 1 3 352.523 0.785 20 0 FCADHO CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103721435 844807883 /nfs/dbraw/zinc/80/78/83/844807883.db2.gz SHVHPISZWYTZEG-BRWVUGGUSA-N 1 3 352.523 0.785 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103756864 844817296 /nfs/dbraw/zinc/81/72/96/844817296.db2.gz DQPISHMDLKNWPP-KZNAEPCWSA-N 1 3 355.523 0.944 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103756864 844817298 /nfs/dbraw/zinc/81/72/98/844817298.db2.gz DQPISHMDLKNWPP-KZNAEPCWSA-N 1 3 355.523 0.944 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104256743 844883313 /nfs/dbraw/zinc/88/33/13/844883313.db2.gz OCVYHSSHJDTERT-OAGGEKHMSA-N 1 3 358.502 0.829 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104362996 844900677 /nfs/dbraw/zinc/90/06/77/844900677.db2.gz UFKXVFPHSHJZCR-HUUCEWRRSA-N 1 3 361.552 0.836 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001104691212 844933460 /nfs/dbraw/zinc/93/34/60/844933460.db2.gz LNPOPCCDAAZQND-OAGGEKHMSA-N 1 3 353.511 0.426 20 0 FCADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1=O ZINC001276678394 861532288 /nfs/dbraw/zinc/53/22/88/861532288.db2.gz MFAVBCYQMKZNDH-SFHVURJKSA-N 1 3 350.463 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106244273 845142112 /nfs/dbraw/zinc/14/21/12/845142112.db2.gz HJXIXZHMQKWPHQ-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249643 845143176 /nfs/dbraw/zinc/14/31/76/845143176.db2.gz LUOZYAVNKWHGJG-QGPMSJSTSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)N(C)C ZINC001106313388 845153242 /nfs/dbraw/zinc/15/32/42/845153242.db2.gz ZGXGOZKQWZHAJX-MGPQQGTHSA-N 1 3 351.451 0.637 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106340024 845159101 /nfs/dbraw/zinc/15/91/01/845159101.db2.gz ILCBXDNDIJZJIP-GDBMZVCRSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)N(C)C ZINC001106673099 845221114 /nfs/dbraw/zinc/22/11/14/845221114.db2.gz BVOFQKQTDQGKHG-KFWWJZLASA-N 1 3 352.479 0.160 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001107042291 845317367 /nfs/dbraw/zinc/31/73/67/845317367.db2.gz FLRKGULQAFYSGA-BRWVUGGUSA-N 1 3 351.495 0.268 20 0 FCADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)C1CC1 ZINC001107438790 845372815 /nfs/dbraw/zinc/37/28/15/845372815.db2.gz JAILNLHMYNIMPM-ZHALLVOQSA-N 1 3 353.507 0.696 20 0 FCADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)C1CC1 ZINC001107438790 845372828 /nfs/dbraw/zinc/37/28/28/845372828.db2.gz JAILNLHMYNIMPM-ZHALLVOQSA-N 1 3 353.507 0.696 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609550 845407205 /nfs/dbraw/zinc/40/72/05/845407205.db2.gz WSJKFBQLWOJJGO-CRAIPNDOSA-N 1 3 354.495 0.014 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415353 846103709 /nfs/dbraw/zinc/10/37/09/846103709.db2.gz QFNMEZBJFCMGQL-XDNAFOTISA-N 1 3 353.507 0.981 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(CC)C1=O)C2 ZINC001111910203 846256993 /nfs/dbraw/zinc/25/69/93/846256993.db2.gz SVAKSBYXUROOIT-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(CC)C1=O)C2 ZINC001111910203 846257003 /nfs/dbraw/zinc/25/70/03/846257003.db2.gz SVAKSBYXUROOIT-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001112193112 846451849 /nfs/dbraw/zinc/45/18/49/846451849.db2.gz KVPRWBASDUVJHL-CHWSQXEVSA-N 1 3 365.396 0.070 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211930 846469255 /nfs/dbraw/zinc/46/92/55/846469255.db2.gz DIYJGURTTSJBCF-YNEHKIRRSA-N 1 3 355.401 0.313 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1 ZINC001112436999 846505099 /nfs/dbraw/zinc/50/50/99/846505099.db2.gz RPSCRNLYZTXLTL-FCEWJHQRSA-N 1 3 355.523 0.942 20 0 FCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC001117847293 847183561 /nfs/dbraw/zinc/18/35/61/847183561.db2.gz PGLUJTZOIQQMDR-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1CN3CCC[C@H]3CO1)CCO2 ZINC001118123439 847289983 /nfs/dbraw/zinc/28/99/83/847289983.db2.gz KSLIPDVRQWKABY-HOTGVXAUSA-N 1 3 352.479 0.356 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330309 847385016 /nfs/dbraw/zinc/38/50/16/847385016.db2.gz KODPVFCAJWHYDR-DRMAHVMPSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001119352880 847819952 /nfs/dbraw/zinc/81/99/52/847819952.db2.gz FYIQYJQWXGFZFS-LSDHHAIUSA-N 1 3 368.547 0.802 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556240 848240798 /nfs/dbraw/zinc/24/07/98/848240798.db2.gz RWYZUNZGEDLKSB-HZPDHXFCSA-N 1 3 352.479 0.404 20 0 FCADHO O=C(CNC[C@H](O)COC1CCOCC1)NCC[NH+]1CCCCCC1 ZINC001120591194 848250471 /nfs/dbraw/zinc/25/04/71/848250471.db2.gz VAGQSIBHVQIBTQ-INIZCTEOSA-N 1 3 357.495 0.125 20 0 FCADHO C[C@H](C1CC1)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127644067 848730856 /nfs/dbraw/zinc/73/08/56/848730856.db2.gz SYZBTIXVAOFMNF-CKEIUWERSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](C1CC1)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127644067 848730863 /nfs/dbraw/zinc/73/08/63/848730863.db2.gz SYZBTIXVAOFMNF-CKEIUWERSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127701703 848732417 /nfs/dbraw/zinc/73/24/17/848732417.db2.gz WQIFTTYUIZBEMQ-RWMBFGLXSA-N 1 3 364.412 0.586 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127701703 848732433 /nfs/dbraw/zinc/73/24/33/848732433.db2.gz WQIFTTYUIZBEMQ-RWMBFGLXSA-N 1 3 364.412 0.586 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCCOC(C)C)CC[N@@H+]1C ZINC001127705454 848733339 /nfs/dbraw/zinc/73/33/39/848733339.db2.gz DEZACOAJPSKLMK-JKSUJKDBSA-N 1 3 356.511 0.354 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCCOC(C)C)CC[N@H+]1C ZINC001127705454 848733343 /nfs/dbraw/zinc/73/33/43/848733343.db2.gz DEZACOAJPSKLMK-JKSUJKDBSA-N 1 3 356.511 0.354 20 0 FCADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894903 848909807 /nfs/dbraw/zinc/90/98/07/848909807.db2.gz XITKASJZIUDBAI-KFWWJZLASA-N 1 3 352.458 0.852 20 0 FCADHO CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[n-]1 ZINC001130249087 848988522 /nfs/dbraw/zinc/98/85/22/848988522.db2.gz JDHPBZYWWGUCRH-KBPBESRZSA-N 1 3 352.483 0.633 20 0 FCADHO CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[n-]1 ZINC001130249087 848988530 /nfs/dbraw/zinc/98/85/30/848988530.db2.gz JDHPBZYWWGUCRH-KBPBESRZSA-N 1 3 352.483 0.633 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001130719333 849028925 /nfs/dbraw/zinc/02/89/25/849028925.db2.gz JYYICJZCCFWWQT-YQQAZPJKSA-N 1 3 351.495 0.681 20 0 FCADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)C1CC1 ZINC001131516992 849117051 /nfs/dbraw/zinc/11/70/51/849117051.db2.gz FAJGHBGFMVXWLQ-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277695616 862001621 /nfs/dbraw/zinc/00/16/21/862001621.db2.gz QEMAJYJAQAXHOL-FZMZJTMJSA-N 1 3 351.369 0.312 20 0 FCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001142680755 849458490 /nfs/dbraw/zinc/45/84/90/849458490.db2.gz DFUSRFRTINALEZ-BWJWTDLKSA-N 1 3 357.495 0.692 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001142791714 849461557 /nfs/dbraw/zinc/46/15/57/849461557.db2.gz MGIDHFDOIIBTME-AQUXLQGKSA-N 1 3 367.437 0.547 20 0 FCADHO FC(F)(F)c1nn(-c2cncc(N3CC[NH2+]CC3)n2)c2c1CNCC2 ZINC001154849443 849817799 /nfs/dbraw/zinc/81/77/99/849817799.db2.gz LKIWKGLHAPUVCP-UHFFFAOYSA-N 1 3 353.352 0.736 20 0 FCADHO [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)CC1 ZINC001157755778 849990949 /nfs/dbraw/zinc/99/09/49/849990949.db2.gz SKIAPCWAOXSWJD-SMDDNHRTSA-N 1 3 370.391 0.842 20 0 FCADHO C[C@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1F ZINC001157926312 850004520 /nfs/dbraw/zinc/00/45/20/850004520.db2.gz ORZGCOJHUGHEOD-ZJOBFFGXSA-N 1 3 360.449 0.732 20 0 FCADHO CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158958854 850087346 /nfs/dbraw/zinc/08/73/46/850087346.db2.gz LPGXTPKQNOCVDC-LBPRGKRZSA-N 1 3 369.491 0.059 20 0 FCADHO COC[C@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)Cc2cn(C)nc21 ZINC001159031463 850092855 /nfs/dbraw/zinc/09/28/55/850092855.db2.gz XMDXEUQYRFGCKV-CVEARBPZSA-N 1 3 351.495 0.988 20 0 FCADHO COC[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)Cc2cn(C)nc21 ZINC001159031465 850093062 /nfs/dbraw/zinc/09/30/62/850093062.db2.gz XMDXEUQYRFGCKV-HOTGVXAUSA-N 1 3 351.495 0.988 20 0 FCADHO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001159127554 850097338 /nfs/dbraw/zinc/09/73/38/850097338.db2.gz TWGVJCJJORZVTQ-DZGCQCFKSA-N 1 3 350.467 0.092 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159160919 850098105 /nfs/dbraw/zinc/09/81/05/850098105.db2.gz VRHHZXZPRDWKIA-POUGUFFASA-N 1 3 359.536 0.621 20 0 FCADHO C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001159696722 850130171 /nfs/dbraw/zinc/13/01/71/850130171.db2.gz LFNDGCULJSMLAS-WFASDCNBSA-N 1 3 367.519 0.732 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159710957 850131198 /nfs/dbraw/zinc/13/11/98/850131198.db2.gz KVHFKKCGMQMZSG-ZDUSSCGKSA-N 1 3 365.503 0.664 20 0 FCADHO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160271693 850163858 /nfs/dbraw/zinc/16/38/58/850163858.db2.gz WRVIMYSWFKNZRO-GJZGRUSLSA-N 1 3 354.495 0.176 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001160420330 850171439 /nfs/dbraw/zinc/17/14/39/850171439.db2.gz CSJUYSMLTFSACS-ZDUSSCGKSA-N 1 3 366.462 0.657 20 0 FCADHO CC(C)[C@@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160669848 850190902 /nfs/dbraw/zinc/19/09/02/850190902.db2.gz NGTKJWMNFNUBIY-JYJNAYRXSA-N 1 3 354.495 0.317 20 0 FCADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160823017 850200432 /nfs/dbraw/zinc/20/04/32/850200432.db2.gz BTQMOQBTVIWPKV-ZFWWWQNUSA-N 1 3 351.451 0.458 20 0 FCADHO Nc1ccc(Br)c2c1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001160846160 850203023 /nfs/dbraw/zinc/20/30/23/850203023.db2.gz LQHBHJSFDMLQQW-ZDUSSCGKSA-N 1 3 373.320 0.935 20 0 FCADHO Nc1ccc(Br)c2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001160846488 850203142 /nfs/dbraw/zinc/20/31/42/850203142.db2.gz IAOUSOGJTIZHSB-GFCCVEGCSA-N 1 3 365.275 0.725 20 0 FCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)N)C[C@H]2C1 ZINC001161175459 850237189 /nfs/dbraw/zinc/23/71/89/850237189.db2.gz MFJYCBOISBEUMU-XQLPTFJDSA-N 1 3 352.479 0.097 20 0 FCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)N)C[C@H]2C1 ZINC001161175459 850237201 /nfs/dbraw/zinc/23/72/01/850237201.db2.gz MFJYCBOISBEUMU-XQLPTFJDSA-N 1 3 352.479 0.097 20 0 FCADHO CS(=O)(=O)c1cccc(C2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)c1 ZINC001161366818 850254230 /nfs/dbraw/zinc/25/42/30/850254230.db2.gz AZCNBZREACNGNL-MRXNPFEDSA-N 1 3 353.488 0.862 20 0 FCADHO CS(=O)(=O)N1CCN(c2cccc(N[C@H]3CCC[C@@H]([NH3+])C3)n2)CC1 ZINC001162391571 850312148 /nfs/dbraw/zinc/31/21/48/850312148.db2.gz BZEMKWDKPAQBFP-KGLIPLIRSA-N 1 3 353.492 0.845 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@@H](N([C@@H]1C[NH2+]C[C@@H]3CCCO[C@H]13)S(C)(=O)=O)C2 ZINC001169129617 850606912 /nfs/dbraw/zinc/60/69/12/850606912.db2.gz KFQPOKUYKFLIJW-PFHJDOJBSA-N 1 3 357.520 0.640 20 0 FCADHO CC[C@]1(C(=O)OC)C[C@H](NCCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522153 850724376 /nfs/dbraw/zinc/72/43/76/850724376.db2.gz XEIYOFHWANRSIR-SUMWQHHRSA-N 1 3 359.467 0.883 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)CC3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178731173 850921480 /nfs/dbraw/zinc/92/14/80/850921480.db2.gz NSIVTAIIOIDKKM-WTTBNOFXSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)CC3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178731173 850921487 /nfs/dbraw/zinc/92/14/87/850921487.db2.gz NSIVTAIIOIDKKM-WTTBNOFXSA-N 1 3 350.507 0.774 20 0 FCADHO C=C(F)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001180119392 851014789 /nfs/dbraw/zinc/01/47/89/851014789.db2.gz UCKKAZOLOPYRPD-YOPIWALVSA-N 1 3 361.458 0.765 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@H]2CCC=CO2)C[C@]2(CCCC(=O)N2)C1 ZINC001278141256 862210507 /nfs/dbraw/zinc/21/05/07/862210507.db2.gz UVULKNXYEJUMFP-MJGOQNOKSA-N 1 3 350.507 0.897 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001185254251 851345958 /nfs/dbraw/zinc/34/59/58/851345958.db2.gz ZQUOJUUWLJDREZ-PMPSAXMXSA-N 1 3 363.531 0.812 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001185254251 851345967 /nfs/dbraw/zinc/34/59/67/851345967.db2.gz ZQUOJUUWLJDREZ-PMPSAXMXSA-N 1 3 363.531 0.812 20 0 FCADHO CC(C)NC(=O)NCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238327 851882017 /nfs/dbraw/zinc/88/20/17/851882017.db2.gz LGEOYFYKGOZHED-OWCLPIDISA-N 1 3 353.511 0.567 20 0 FCADHO CC(C)NC(=O)NCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238327 851882028 /nfs/dbraw/zinc/88/20/28/851882028.db2.gz LGEOYFYKGOZHED-OWCLPIDISA-N 1 3 353.511 0.567 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001197926313 853187907 /nfs/dbraw/zinc/18/79/07/853187907.db2.gz KTVMINUVUNOZBA-ZIAGYGMSSA-N 1 3 369.428 0.849 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CCC1 ZINC001199057438 853361424 /nfs/dbraw/zinc/36/14/24/853361424.db2.gz JSWDCJTZGWJSMT-KZNAEPCWSA-N 1 3 353.507 0.839 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200554340 853502512 /nfs/dbraw/zinc/50/25/12/853502512.db2.gz IXJAEANQAKOYKD-HRCADAONSA-N 1 3 354.495 0.012 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001200554340 853502519 /nfs/dbraw/zinc/50/25/19/853502519.db2.gz IXJAEANQAKOYKD-HRCADAONSA-N 1 3 354.495 0.012 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](CC3CCOCC3)CC2)C1=O ZINC001202562426 853567742 /nfs/dbraw/zinc/56/77/42/853567742.db2.gz VKOYSANFCDZXAO-UHFFFAOYSA-N 1 3 352.523 0.583 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070072 853890658 /nfs/dbraw/zinc/89/06/58/853890658.db2.gz CKTWEFFOAAQJTK-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070072 853890663 /nfs/dbraw/zinc/89/06/63/853890663.db2.gz CKTWEFFOAAQJTK-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC1(N(C)C)CC1 ZINC001209013062 853988983 /nfs/dbraw/zinc/98/89/83/853988983.db2.gz NGADQYHYYLEACB-MRXNPFEDSA-N 1 3 360.568 0.758 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC1(N(C)C)CC1 ZINC001209013062 853988990 /nfs/dbraw/zinc/98/89/90/853988990.db2.gz NGADQYHYYLEACB-MRXNPFEDSA-N 1 3 360.568 0.758 20 0 FCADHO CC(=O)N1CC2(C1)C[N@@H+](CCCN1CCCCC1)C[C@H]2C(=O)N(C)C ZINC001209454736 854028449 /nfs/dbraw/zinc/02/84/49/854028449.db2.gz SUKSXSCJHVNCIU-KRWDZBQOSA-N 1 3 350.507 0.731 20 0 FCADHO CC(=O)N1CC2(C1)C[N@H+](CCCN1CCCCC1)C[C@H]2C(=O)N(C)C ZINC001209454736 854028455 /nfs/dbraw/zinc/02/84/55/854028455.db2.gz SUKSXSCJHVNCIU-KRWDZBQOSA-N 1 3 350.507 0.731 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CCC1 ZINC001213342190 854582540 /nfs/dbraw/zinc/58/25/40/854582540.db2.gz LBFKNGSDOKHJCI-IXDOHACOSA-N 1 3 353.507 0.959 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638626 854694193 /nfs/dbraw/zinc/69/41/93/854694193.db2.gz XNLFKXFXTCCZPI-IAGOWNOFSA-N 1 3 357.495 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001214336257 854927073 /nfs/dbraw/zinc/92/70/73/854927073.db2.gz ZSGXIDNKXLQIOK-UPJWGTAASA-N 1 3 364.412 0.538 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214597434 854976056 /nfs/dbraw/zinc/97/60/56/854976056.db2.gz JLOAOLYSXGIYGT-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214597434 854976060 /nfs/dbraw/zinc/97/60/60/854976060.db2.gz JLOAOLYSXGIYGT-DJIMGWMZSA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1)N(C)C ZINC001214952776 855039079 /nfs/dbraw/zinc/03/90/79/855039079.db2.gz LSNBIKUQDDXFBZ-RBSFLKMASA-N 1 3 359.536 0.588 20 0 FCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057136 855060107 /nfs/dbraw/zinc/06/01/07/855060107.db2.gz YJACKEDAQRMYRW-HZPDHXFCSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001215414093 855112058 /nfs/dbraw/zinc/11/20/58/855112058.db2.gz RXGVOSXACSWFMY-VXGBXAGGSA-N 1 3 364.412 0.443 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n(C)n1 ZINC001215458997 855117330 /nfs/dbraw/zinc/11/73/30/855117330.db2.gz SVJMJICETIDDBU-TZMCWYRMSA-N 1 3 350.467 0.055 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCCc1ccsc1 ZINC001215463049 855117970 /nfs/dbraw/zinc/11/79/70/855117970.db2.gz FPOIKTHBDPQPOL-GDBMZVCRSA-N 1 3 366.531 0.795 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474073 855119672 /nfs/dbraw/zinc/11/96/72/855119672.db2.gz KOEMCMLBKJKOIQ-BZUAXINKSA-N 1 3 361.552 0.834 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001215540658 855125889 /nfs/dbraw/zinc/12/58/89/855125889.db2.gz PFMDPMHOEORQHZ-ARFHVFGLSA-N 1 3 352.523 0.927 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215539973 855126031 /nfs/dbraw/zinc/12/60/31/855126031.db2.gz FURRDBWGJRQMBC-BFYDXBDKSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215536420 855126695 /nfs/dbraw/zinc/12/66/95/855126695.db2.gz QXNQHOBNWLOIMR-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001215990167 855162790 /nfs/dbraw/zinc/16/27/90/855162790.db2.gz VBJQATDAMOPWTI-JHJVBQTASA-N 1 3 366.428 0.832 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001215990165 855162907 /nfs/dbraw/zinc/16/29/07/855162907.db2.gz VBJQATDAMOPWTI-FRRDWIJNSA-N 1 3 366.428 0.832 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001215998963 855164099 /nfs/dbraw/zinc/16/40/99/855164099.db2.gz JPSUXRODUOPWNS-OWCLPIDISA-N 1 3 359.536 0.590 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216002619 855164348 /nfs/dbraw/zinc/16/43/48/855164348.db2.gz XOVKUCOVHPOYHU-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC001216174427 855177176 /nfs/dbraw/zinc/17/71/76/855177176.db2.gz QMEXZFOTSNLSNR-GDBMZVCRSA-N 1 3 359.536 0.588 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)CC1 ZINC001216174502 855177811 /nfs/dbraw/zinc/17/78/11/855177811.db2.gz SNCFMZUKWBCVAJ-RHSMWYFYSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405176 855199543 /nfs/dbraw/zinc/19/95/43/855199543.db2.gz HEOAIZVBVYKBJQ-BZUAXINKSA-N 1 3 350.507 0.679 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001216846407 855256310 /nfs/dbraw/zinc/25/63/10/855256310.db2.gz CDIUNQMSLBYOSO-QGPMSJSTSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001216851761 855259106 /nfs/dbraw/zinc/25/91/06/855259106.db2.gz HORRHCZCKZNFSG-OWCLPIDISA-N 1 3 359.536 0.588 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218017267 855389593 /nfs/dbraw/zinc/38/95/93/855389593.db2.gz TWWGTMAGCUJVCN-VHSXEESVSA-N 1 3 356.398 0.230 20 0 FCADHO O=C(Nc1nc(Br)cn2ccnc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218563021 855439085 /nfs/dbraw/zinc/43/90/85/855439085.db2.gz BMIPVXCWSSDIFK-YMTOWFKASA-N 1 3 365.235 0.629 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nccnc1N1CCOCC1 ZINC001218571092 855441574 /nfs/dbraw/zinc/44/15/74/855441574.db2.gz PZPMMESQLGIONJ-AWEZNQCLSA-N 1 3 350.467 0.747 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)[nH]c(=O)c1 ZINC001218695375 855465761 /nfs/dbraw/zinc/46/57/61/855465761.db2.gz VHFRZZDZGSQEDK-RYUDHWBXSA-N 1 3 369.853 0.826 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@H](N)CCC[NH3+])c(NC(C)=O)cc1OC ZINC001219225719 855591825 /nfs/dbraw/zinc/59/18/25/855591825.db2.gz JAWFBXQESCSWJU-LLVKDONJSA-N 1 3 352.391 0.445 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219303405 855623584 /nfs/dbraw/zinc/62/35/84/855623584.db2.gz VKANKUMEHGSRDH-QWRGUYRKSA-N 1 3 352.410 0.747 20 0 FCADHO O=C(Nc1ccc(Br)c2c1C(=O)NC2)[C@H]1C[NH2+]CC12CNC2 ZINC001219444706 855673355 /nfs/dbraw/zinc/67/33/55/855673355.db2.gz ZMGNJBZQANROLJ-SECBINFHSA-N 1 3 365.231 0.440 20 0 FCADHO CS(=O)(=O)c1cc(F)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1F ZINC001219446795 855673997 /nfs/dbraw/zinc/67/39/97/855673997.db2.gz XDMPKOJPRQURJY-RFAUZJTJSA-N 1 3 359.398 0.506 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744059 855795463 /nfs/dbraw/zinc/79/54/63/855795463.db2.gz RIGLNPSHQKMAGU-KKUMJFAQSA-N 1 3 354.495 0.282 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001219814610 855829199 /nfs/dbraw/zinc/82/91/99/855829199.db2.gz IADIXPKLCLDHKA-ZVZYQTTQSA-N 1 3 365.499 0.608 20 0 FCADHO CN1C[C@H](C(=O)N[C@H]2CNCc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823327 855831400 /nfs/dbraw/zinc/83/14/00/855831400.db2.gz PFRWZJJPTRXCLQ-UONOGXRCSA-N 1 3 350.488 0.461 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@@H]2O)CC1 ZINC001220230556 856023224 /nfs/dbraw/zinc/02/32/24/856023224.db2.gz KEIGBFPBBBTSEL-ZACQAIPSSA-N 1 3 353.507 0.431 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481756 856147543 /nfs/dbraw/zinc/14/75/43/856147543.db2.gz QDGGQZUPFKJTNP-VLXAULBPSA-N 1 3 359.467 0.147 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCNC1 ZINC001220521609 856164549 /nfs/dbraw/zinc/16/45/49/856164549.db2.gz JVVBNAGFXPEOQX-SCLBCKFNSA-N 1 3 351.447 0.462 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220605718 856203399 /nfs/dbraw/zinc/20/33/99/856203399.db2.gz WLXGYSPTUZOLOF-QWHCGFSZSA-N 1 3 352.236 0.858 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220609646 856206540 /nfs/dbraw/zinc/20/65/40/856206540.db2.gz CWUPSVREVWJZBM-HOTUBEGUSA-N 1 3 357.252 0.417 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803323 856309516 /nfs/dbraw/zinc/30/95/16/856309516.db2.gz DWPXIBWXHLRZKG-AXFHLTTASA-N 1 3 353.385 0.963 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001220816782 856319427 /nfs/dbraw/zinc/31/94/27/856319427.db2.gz AGNPCQJSUZOUFJ-KGLIPLIRSA-N 1 3 369.428 0.849 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001220816782 856319440 /nfs/dbraw/zinc/31/94/40/856319440.db2.gz AGNPCQJSUZOUFJ-KGLIPLIRSA-N 1 3 369.428 0.849 20 0 FCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001220898559 856363410 /nfs/dbraw/zinc/36/34/10/856363410.db2.gz NOKHUHUAQIDSPP-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO COc1ccccc1CN1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001220928679 856379060 /nfs/dbraw/zinc/37/90/60/856379060.db2.gz ZGSWESMZPBJMEL-GJZGRUSLSA-N 1 3 352.504 0.405 20 0 FCADHO CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(F)(F)F ZINC001220944719 856385720 /nfs/dbraw/zinc/38/57/20/856385720.db2.gz AJPNHWZMBVKDJS-SDDRHHMPSA-N 1 3 352.401 0.891 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976147 856403683 /nfs/dbraw/zinc/40/36/83/856403683.db2.gz LOFZAPKBJIYKKD-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001220976147 856403691 /nfs/dbraw/zinc/40/36/91/856403691.db2.gz LOFZAPKBJIYKKD-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO N[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001221004021 856418318 /nfs/dbraw/zinc/41/83/18/856418318.db2.gz IXUMCYGQCVAGEU-YHUYYLMFSA-N 1 3 352.479 0.036 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221073109 856448998 /nfs/dbraw/zinc/44/89/98/856448998.db2.gz GODAFMGVUALMJN-KSZLIROESA-N 1 3 353.507 0.840 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001221073294 856450095 /nfs/dbraw/zinc/45/00/95/856450095.db2.gz OURJBWNYFMWVQH-MSOLQXFVSA-N 1 3 353.507 0.840 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407866 856560808 /nfs/dbraw/zinc/56/08/08/856560808.db2.gz FFUDXPCSXUVKOY-AJNGGQMLSA-N 1 3 354.495 0.532 20 0 FCADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407866 856560813 /nfs/dbraw/zinc/56/08/13/856560813.db2.gz FFUDXPCSXUVKOY-AJNGGQMLSA-N 1 3 354.495 0.532 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245346 856903595 /nfs/dbraw/zinc/90/35/95/856903595.db2.gz AFTIQBRTIFZVJA-IKGGRYGDSA-N 1 3 353.507 0.791 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245346 856903603 /nfs/dbraw/zinc/90/36/03/856903603.db2.gz AFTIQBRTIFZVJA-IKGGRYGDSA-N 1 3 353.507 0.791 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(CCN3CCCC3=O)[C@H]2C1 ZINC001223379193 856912231 /nfs/dbraw/zinc/91/22/31/856912231.db2.gz SWZUFUSRQWLSAE-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001223429782 856914484 /nfs/dbraw/zinc/91/44/84/856914484.db2.gz AYKYSYFPHXKCKS-CABCVRRESA-N 1 3 350.463 0.010 20 0 FCADHO CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001227614283 857167237 /nfs/dbraw/zinc/16/72/37/857167237.db2.gz XCXYJSVMRHOULN-RVKOJVRFSA-N 1 3 351.491 0.903 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228262662 857198860 /nfs/dbraw/zinc/19/88/60/857198860.db2.gz WRQNQJSTYLNRHX-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO CCn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710081 857283307 /nfs/dbraw/zinc/28/33/07/857283307.db2.gz KSIMHQSEPPSPIR-HZPDHXFCSA-N 1 3 352.483 0.393 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCOC ZINC001229869082 857291228 /nfs/dbraw/zinc/29/12/28/857291228.db2.gz WUTXHMMIVNTMPE-GVDBMIGSSA-N 1 3 359.511 0.369 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138274 857306831 /nfs/dbraw/zinc/30/68/31/857306831.db2.gz MIYHQDLXKKMSSL-BZUAXINKSA-N 1 3 354.495 0.108 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138274 857306835 /nfs/dbraw/zinc/30/68/35/857306835.db2.gz MIYHQDLXKKMSSL-BZUAXINKSA-N 1 3 354.495 0.108 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001230284948 857322758 /nfs/dbraw/zinc/32/27/58/857322758.db2.gz YQAAQRALVXPDRA-ARFHVFGLSA-N 1 3 359.536 0.778 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2c(c1)OCO2 ZINC001238242594 857465417 /nfs/dbraw/zinc/46/54/17/857465417.db2.gz PJRHRQVJGNGGGL-GFCCVEGCSA-N 1 3 353.444 0.568 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2c(c1)OCO2 ZINC001238242594 857465421 /nfs/dbraw/zinc/46/54/21/857465421.db2.gz PJRHRQVJGNGGGL-GFCCVEGCSA-N 1 3 353.444 0.568 20 0 FCADHO COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244211 857466335 /nfs/dbraw/zinc/46/63/35/857466335.db2.gz XXDPHVOOVAMJHK-NSHDSACASA-N 1 3 373.500 0.687 20 0 FCADHO COC(=O)/C=C/c1cccc(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238879028 857485656 /nfs/dbraw/zinc/48/56/56/857485656.db2.gz NFUKUELVAGFBCX-BQYQJAHWSA-N 1 3 355.460 0.480 20 0 FCADHO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879012 857485670 /nfs/dbraw/zinc/48/56/70/857485670.db2.gz MZEWWNDZLKTKNM-UHFFFAOYSA-N 1 3 363.867 0.733 20 0 FCADHO COC(=O)c1ccc([C@H](N)CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001238919769 857489878 /nfs/dbraw/zinc/48/98/78/857489878.db2.gz OUEHIZYHJBJOLE-OAHLLOKOSA-N 1 3 355.460 0.392 20 0 FCADHO C[C@@H]1C[C@@H](N2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700541 857592028 /nfs/dbraw/zinc/59/20/28/857592028.db2.gz GYBYYHGOGWDTHS-BCDMZGRMSA-N 1 3 351.491 0.998 20 0 FCADHO COC(=O)[C@H](N)[C@H]1CCCN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926496 857606620 /nfs/dbraw/zinc/60/66/20/857606620.db2.gz TXZJNIJBIVRUQP-JMDIOJQTSA-N 1 3 353.463 0.271 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001253182667 857869356 /nfs/dbraw/zinc/86/93/56/857869356.db2.gz SGXVEVGDRJGILF-OALUTQOASA-N 1 3 357.539 0.750 20 0 FCADHO COCCn1c(=O)ccc2c1CC[C@@H](NC[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253405587 857886392 /nfs/dbraw/zinc/88/63/92/857886392.db2.gz HXPIHWPIMHDRHH-CVEARBPZSA-N 1 3 351.491 0.691 20 0 FCADHO OCCOCCOCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254049668 857936423 /nfs/dbraw/zinc/93/64/23/857936423.db2.gz KGXDTOQKKQZOJH-UHFFFAOYSA-N 1 3 352.475 0.629 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@H]3CCCN(C)CC3)CC[C@@H]2C1 ZINC001254516846 857975647 /nfs/dbraw/zinc/97/56/47/857975647.db2.gz CDCSMLRBQCHUMM-FGTMMUONSA-N 1 3 352.523 0.582 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@H]3CCCN(C)CC3)CC[C@@H]2C1 ZINC001254516846 857975653 /nfs/dbraw/zinc/97/56/53/857975653.db2.gz CDCSMLRBQCHUMM-FGTMMUONSA-N 1 3 352.523 0.582 20 0 FCADHO CCC[NH+]1CCC(N2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001258777848 858210734 /nfs/dbraw/zinc/21/07/34/858210734.db2.gz KLKREQPXNZNUKF-KRWDZBQOSA-N 1 3 350.507 0.729 20 0 FCADHO CSC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261320925 858517859 /nfs/dbraw/zinc/51/78/59/858517859.db2.gz OZWBMRUVWPTACP-OAHLLOKOSA-N 1 3 358.552 0.540 20 0 FCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001262599342 859016062 /nfs/dbraw/zinc/01/60/62/859016062.db2.gz VSESGZVFYHKZKW-CQSZACIVSA-N 1 3 351.495 0.500 20 0 FCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001263762568 859206360 /nfs/dbraw/zinc/20/63/60/859206360.db2.gz HSZKLUHLURZHHH-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001263762568 859206367 /nfs/dbraw/zinc/20/63/67/859206367.db2.gz HSZKLUHLURZHHH-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)CC1 ZINC001270237728 859695660 /nfs/dbraw/zinc/69/56/60/859695660.db2.gz QFXRAMFAYKBUQJ-IBGZPJMESA-N 1 3 350.507 0.873 20 0 FCADHO CN1CCCC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001271138352 859903831 /nfs/dbraw/zinc/90/38/31/859903831.db2.gz DDNRIKMIDMPPOT-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1C[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)OCC1=O ZINC001273547327 860527636 /nfs/dbraw/zinc/52/76/36/860527636.db2.gz GNEIZOYYZYLSET-GOSISDBHSA-N 1 3 354.495 0.110 20 0 FCADHO CCCC[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275104686 860934277 /nfs/dbraw/zinc/93/42/77/860934277.db2.gz YHQWFRFCMWTRAV-IBGZPJMESA-N 1 3 352.523 0.727 20 0 FCADHO CCCC[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275104686 860934292 /nfs/dbraw/zinc/93/42/92/860934292.db2.gz YHQWFRFCMWTRAV-IBGZPJMESA-N 1 3 352.523 0.727 20 0 FCADHO CCC1(CN2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)COC1 ZINC001279905895 863128317 /nfs/dbraw/zinc/12/83/17/863128317.db2.gz VTVZMIMFPNQCEG-LSDHHAIUSA-N 1 3 350.463 0.310 20 0 FCADHO CN1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCC2COC2)C1 ZINC001280256198 863362357 /nfs/dbraw/zinc/36/23/57/863362357.db2.gz BOAIVKFMTXKQMN-WBVHZDCISA-N 1 3 351.491 0.429 20 0 FCADHO COCCN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@@H]1CCCN(C)C1)C2 ZINC001280259741 863366660 /nfs/dbraw/zinc/36/66/60/863366660.db2.gz ZVUGTIDENBMQGU-IAGOWNOFSA-N 1 3 353.507 0.772 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001289847329 865295975 /nfs/dbraw/zinc/29/59/75/865295975.db2.gz WYAIXPNGQLFSQO-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001358666588 868244664 /nfs/dbraw/zinc/24/46/64/868244664.db2.gz YVWDVKGPWBUZGK-BZUAXINKSA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001358666588 868244678 /nfs/dbraw/zinc/24/46/78/868244678.db2.gz YVWDVKGPWBUZGK-BZUAXINKSA-N 1 3 350.507 0.964 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001325275417 869837461 /nfs/dbraw/zinc/83/74/61/869837461.db2.gz PWUNPMVGGDPGHQ-OAHLLOKOSA-N 1 3 350.463 0.580 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CCCCC1 ZINC001325861294 870065455 /nfs/dbraw/zinc/06/54/55/870065455.db2.gz DESGIISDXGTWGP-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)CC[NH2+]CC2 ZINC001326142796 870183129 /nfs/dbraw/zinc/18/31/29/870183129.db2.gz QGVWUALWOVJEOL-KBXCAEBGSA-N 1 3 368.547 0.531 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)CC[NH2+]CC2 ZINC001326142797 870183277 /nfs/dbraw/zinc/18/32/77/870183277.db2.gz QGVWUALWOVJEOL-KDOFPFPSSA-N 1 3 368.547 0.531 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](NC(N)=O)C3)CC2)CC1 ZINC001326756080 870484626 /nfs/dbraw/zinc/48/46/26/870484626.db2.gz IXYRLYAOAPRPBW-OAHLLOKOSA-N 1 3 351.495 0.452 20 0 FCADHO [NH3+]CCCCn1cc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)nn1 ZINC001327196884 870711662 /nfs/dbraw/zinc/71/16/62/870711662.db2.gz YAWDCDHZCVTRMB-HNNXBMFYSA-N 1 3 350.467 0.390 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001327522053 870923339 /nfs/dbraw/zinc/92/33/39/870923339.db2.gz YYIYWGGNQJHPED-MRXNPFEDSA-N 1 3 350.507 0.827 20 0 FCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001330871978 872854901 /nfs/dbraw/zinc/85/49/01/872854901.db2.gz UTXWBDSWJGMIPW-LBPRGKRZSA-N 1 3 356.417 0.709 20 0 FCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574918293 948839593 /nfs/dbraw/zinc/83/95/93/948839593.db2.gz ILSFBULJJZXZHT-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575093014 951796441 /nfs/dbraw/zinc/79/64/41/951796441.db2.gz GURZKTMQIZMBTR-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575093014 951796445 /nfs/dbraw/zinc/79/64/45/951796445.db2.gz GURZKTMQIZMBTR-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106839 951906537 /nfs/dbraw/zinc/90/65/37/951906537.db2.gz VJAVIAIEMTXCNI-CJNGLKHVSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106839 951906544 /nfs/dbraw/zinc/90/65/44/951906544.db2.gz VJAVIAIEMTXCNI-CJNGLKHVSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106839 951906550 /nfs/dbraw/zinc/90/65/50/951906550.db2.gz VJAVIAIEMTXCNI-CJNGLKHVSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106839 951906555 /nfs/dbraw/zinc/90/65/55/951906555.db2.gz VJAVIAIEMTXCNI-CJNGLKHVSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575109560 951932056 /nfs/dbraw/zinc/93/20/56/951932056.db2.gz SMSKOZRZGKHHIU-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575109560 951932057 /nfs/dbraw/zinc/93/20/57/951932057.db2.gz SMSKOZRZGKHHIU-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575109560 951932059 /nfs/dbraw/zinc/93/20/59/951932059.db2.gz SMSKOZRZGKHHIU-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575109560 951932061 /nfs/dbraw/zinc/93/20/61/951932061.db2.gz SMSKOZRZGKHHIU-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2)C1 ZINC000410951730 530064977 /nfs/dbraw/zinc/06/49/77/530064977.db2.gz GDHJMVCSPXIKRI-HLIPFELVSA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)C1 ZINC000410951730 530064978 /nfs/dbraw/zinc/06/49/78/530064978.db2.gz GDHJMVCSPXIKRI-HLIPFELVSA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719228 530059312 /nfs/dbraw/zinc/05/93/12/530059312.db2.gz NPMHWBUTSIHGQI-FXAWDEMLSA-N 1 3 362.518 0.875 20 0 FCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000331547585 215013156 /nfs/dbraw/zinc/01/31/56/215013156.db2.gz BEQFBDMRXUVYQV-GBJTYRQASA-N 1 3 352.479 0.301 20 0 FCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000331547585 215013158 /nfs/dbraw/zinc/01/31/58/215013158.db2.gz BEQFBDMRXUVYQV-GBJTYRQASA-N 1 3 352.479 0.301 20 0 FCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000331547595 215013323 /nfs/dbraw/zinc/01/33/23/215013323.db2.gz BEQFBDMRXUVYQV-YJNKXOJESA-N 1 3 352.479 0.301 20 0 FCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000331547595 215013324 /nfs/dbraw/zinc/01/33/24/215013324.db2.gz BEQFBDMRXUVYQV-YJNKXOJESA-N 1 3 352.479 0.301 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)N1CCC(C)CC1 ZINC000331602617 215021320 /nfs/dbraw/zinc/02/13/20/215021320.db2.gz ZRZGRAOLSNWCAG-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)N1CCC(C)CC1 ZINC000331602617 215021324 /nfs/dbraw/zinc/02/13/24/215021324.db2.gz ZRZGRAOLSNWCAG-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000332128374 215098304 /nfs/dbraw/zinc/09/83/04/215098304.db2.gz HNFHLJHXWPEKOF-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000332128374 215098305 /nfs/dbraw/zinc/09/83/05/215098305.db2.gz HNFHLJHXWPEKOF-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000332533491 215170547 /nfs/dbraw/zinc/17/05/47/215170547.db2.gz RTNUGPDRTOPIFG-BFYDXBDKSA-N 1 3 366.506 0.284 20 0 FCADHO Cn1cnc2c1c(=O)n(CCCN1CCC(C[NH+](C)C)CC1)c(=O)n2C ZINC000332639860 215196938 /nfs/dbraw/zinc/19/69/38/215196938.db2.gz YFJKVGMXWQQVNH-UHFFFAOYSA-N 1 3 362.478 0.097 20 0 FCADHO C[C@@H]1OCC[C@@]1(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333023672 215225945 /nfs/dbraw/zinc/22/59/45/215225945.db2.gz KCGKJHBZXKGQCA-KBXCAEBGSA-N 1 3 354.495 0.384 20 0 FCADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000333618510 215302646 /nfs/dbraw/zinc/30/26/46/215302646.db2.gz RIHQFWFSOZTGRT-OWCLPIDISA-N 1 3 350.507 0.871 20 0 FCADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000333885992 215328596 /nfs/dbraw/zinc/32/85/96/215328596.db2.gz VWYPWVYNWNWCBS-QGZVFWFLSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000333885992 215328598 /nfs/dbraw/zinc/32/85/98/215328598.db2.gz VWYPWVYNWNWCBS-QGZVFWFLSA-N 1 3 367.538 0.519 20 0 FCADHO C[C@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030317 216066168 /nfs/dbraw/zinc/06/61/68/216066168.db2.gz PYLPXXVQDJZHCM-HOTGVXAUSA-N 1 3 365.522 0.665 20 0 FCADHO CC1CCN(CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000367648045 216145494 /nfs/dbraw/zinc/14/54/94/216145494.db2.gz DONCYMGSLPTTSO-UHFFFAOYSA-N 1 3 359.536 0.782 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)N(C)C2CC2)CC1=O ZINC000246529948 209390361 /nfs/dbraw/zinc/39/03/61/209390361.db2.gz WNABXEBMODNAIL-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)N(C)C2CC2)CC1=O ZINC000246529948 209390367 /nfs/dbraw/zinc/39/03/67/209390367.db2.gz WNABXEBMODNAIL-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000237173242 209348597 /nfs/dbraw/zinc/34/85/97/209348597.db2.gz GWZXFDVPSHMNGR-MRXNPFEDSA-N 1 3 364.515 0.689 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000237952559 209361822 /nfs/dbraw/zinc/36/18/22/209361822.db2.gz MYPHIENRBCIMHI-ZWKOTPCHSA-N 1 3 358.486 0.965 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000237950351 209360710 /nfs/dbraw/zinc/36/07/10/209360710.db2.gz MYPHIENRBCIMHI-ROUUACIJSA-N 1 3 358.486 0.965 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000192153420 209297331 /nfs/dbraw/zinc/29/73/31/209297331.db2.gz DJFUGFYFGJMHLK-UHFFFAOYSA-N 1 3 369.554 0.624 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000192153420 209297333 /nfs/dbraw/zinc/29/73/33/209297333.db2.gz DJFUGFYFGJMHLK-UHFFFAOYSA-N 1 3 369.554 0.624 20 0 FCADHO COC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000187492602 209212300 /nfs/dbraw/zinc/21/23/00/209212300.db2.gz KUWRERRRCKKFKT-QAPCUYQASA-N 1 3 368.522 0.990 20 0 FCADHO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000275927719 212121393 /nfs/dbraw/zinc/12/13/93/212121393.db2.gz VHDGAMLOPNNOGJ-UHFFFAOYSA-N 1 3 366.462 0.308 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CN1C1CC1 ZINC000414946379 245336027 /nfs/dbraw/zinc/33/60/27/245336027.db2.gz TXEYGIQUYKHGDN-IUODEOHRSA-N 1 3 358.442 0.849 20 0 FCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000415258470 245371174 /nfs/dbraw/zinc/37/11/74/245371174.db2.gz SCGZDPASEVQBAL-KRWDZBQOSA-N 1 3 362.474 0.698 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000415285265 245375557 /nfs/dbraw/zinc/37/55/57/245375557.db2.gz RJNYJLZOJGLPQH-UHFFFAOYSA-N 1 3 361.490 0.407 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000415364512 245399400 /nfs/dbraw/zinc/39/94/00/245399400.db2.gz SGFULWMZSYJFGM-QGZVFWFLSA-N 1 3 373.501 0.570 20 0 FCADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000374907648 217188736 /nfs/dbraw/zinc/18/87/36/217188736.db2.gz DUWDUCGHZLPWNB-UHFFFAOYSA-N 1 3 365.566 0.641 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183375761 209143637 /nfs/dbraw/zinc/14/36/37/209143637.db2.gz DTOKTRNNFLXFLE-HZPDHXFCSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417030857 245664055 /nfs/dbraw/zinc/66/40/55/245664055.db2.gz PSTIGWITMCEHQI-UONOGXRCSA-N 1 3 365.444 0.996 20 0 FCADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418651153 245812446 /nfs/dbraw/zinc/81/24/46/245812446.db2.gz LDBMIXVWAIJCEY-NVXWUHKLSA-N 1 3 361.490 0.745 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419156528 246022567 /nfs/dbraw/zinc/02/25/67/246022567.db2.gz VJTUCVXGZOLYEP-XJKSGUPXSA-N 1 3 364.515 0.930 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132496 246007879 /nfs/dbraw/zinc/00/78/79/246007879.db2.gz BOGXWHZZSLRYMF-DOTOQJQBSA-N 1 3 362.474 0.247 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419165476 246028484 /nfs/dbraw/zinc/02/84/84/246028484.db2.gz GLIYTFVIMNWTKV-HOTGVXAUSA-N 1 3 354.495 0.252 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)[N@H+](C)Cc1ccccc1 ZINC000419186911 246040862 /nfs/dbraw/zinc/04/08/62/246040862.db2.gz FIZCEWNCSNSRGG-WBVHZDCISA-N 1 3 362.474 0.118 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419186911 246040869 /nfs/dbraw/zinc/04/08/69/246040869.db2.gz FIZCEWNCSNSRGG-WBVHZDCISA-N 1 3 362.474 0.118 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419193840 246045324 /nfs/dbraw/zinc/04/53/24/246045324.db2.gz RKSXPFBDYSLAFV-UHFFFAOYSA-N 1 3 360.502 0.878 20 0 FCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419162346 246026405 /nfs/dbraw/zinc/02/64/05/246026405.db2.gz GZYNPTSGSNLZPA-QZTJIDSGSA-N 1 3 374.485 0.343 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C[C@H]1C[NH3+] ZINC000419223120 246062272 /nfs/dbraw/zinc/06/22/72/246062272.db2.gz CLCSPKCWMINDTM-DJIMGWMZSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419225190 246065642 /nfs/dbraw/zinc/06/56/42/246065642.db2.gz GRWNGDICVXLCKE-NJAFHUGGSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000419199592 246047793 /nfs/dbraw/zinc/04/77/93/246047793.db2.gz DTDVRFORKXRVRH-PBHICJAKSA-N 1 3 362.474 0.439 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000419204703 246053086 /nfs/dbraw/zinc/05/30/86/246053086.db2.gz IYRSRLOCCRKCBJ-UHFFFAOYSA-N 1 3 362.474 0.441 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419233884 246070143 /nfs/dbraw/zinc/07/01/43/246070143.db2.gz WVPZNORLGKCKKC-USXIJHARSA-N 1 3 350.507 0.871 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235352 246070187 /nfs/dbraw/zinc/07/01/87/246070187.db2.gz YVQALCBVNNIEJG-DLBZAZTESA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419361640 246118931 /nfs/dbraw/zinc/11/89/31/246118931.db2.gz BDUCTWRRIUQDOI-YJBOKZPZSA-N 1 3 372.513 0.645 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000419369767 246119898 /nfs/dbraw/zinc/11/98/98/246119898.db2.gz GBFZOSBDPQKVPA-OAHLLOKOSA-N 1 3 372.513 0.788 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419378512 246124947 /nfs/dbraw/zinc/12/49/47/246124947.db2.gz VSBVGKUGEXSNIJ-IRXDYDNUSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399362 246135121 /nfs/dbraw/zinc/13/51/21/246135121.db2.gz JHLQWRMAFPYNJO-WBAXXEDZSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399362 246135126 /nfs/dbraw/zinc/13/51/26/246135126.db2.gz JHLQWRMAFPYNJO-WBAXXEDZSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]1 ZINC000419430822 246158486 /nfs/dbraw/zinc/15/84/86/246158486.db2.gz WEEGFLNAKLGMAT-MAUKXSAKSA-N 1 3 358.486 0.808 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419430908 246159781 /nfs/dbraw/zinc/15/97/81/246159781.db2.gz WPTXBTCGRFHQFG-OAQYLSRUSA-N 1 3 370.497 0.763 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000419528056 246191979 /nfs/dbraw/zinc/19/19/79/246191979.db2.gz VYEXRATZWJCTTF-DLBZAZTESA-N 1 3 366.506 0.332 20 0 FCADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419653487 246231953 /nfs/dbraw/zinc/23/19/53/246231953.db2.gz QWMHQNOCULAUTB-HOCLYGCPSA-N 1 3 362.474 0.418 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000419650359 246230086 /nfs/dbraw/zinc/23/00/86/246230086.db2.gz CVDMDZNQPPPXCI-AITUJVMLSA-N 1 3 370.497 0.976 20 0 FCADHO COc1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C)ccc1OCC[NH+](C)C ZINC000419654029 246231150 /nfs/dbraw/zinc/23/11/50/246231150.db2.gz RQOKQOLSZVDMBN-CYBMUJFWSA-N 1 3 366.462 0.640 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(C)C ZINC000419664397 246237044 /nfs/dbraw/zinc/23/70/44/246237044.db2.gz MESOFXHALIWVCU-LSDHHAIUSA-N 1 3 356.511 0.841 20 0 FCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419667348 246237566 /nfs/dbraw/zinc/23/75/66/246237566.db2.gz RXECUIOLPOAQIV-KRWDZBQOSA-N 1 3 359.474 0.754 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419665701 246238249 /nfs/dbraw/zinc/23/82/49/246238249.db2.gz URXVEGAHHAZJLA-CYGHRXIMSA-N 1 3 358.486 0.961 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000419684282 246248279 /nfs/dbraw/zinc/24/82/79/246248279.db2.gz LTBKSUOYWGBFIT-JKSUJKDBSA-N 1 3 366.506 0.333 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NCC(C)(C)[NH3+])CCCC2)CC1 ZINC000419752626 246282993 /nfs/dbraw/zinc/28/29/93/246282993.db2.gz MPEVRUNPUPOXAZ-UHFFFAOYSA-N 1 3 354.495 0.380 20 0 FCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000419753645 246283022 /nfs/dbraw/zinc/28/30/22/246283022.db2.gz OBQQTXYFAKWFOT-CQSZACIVSA-N 1 3 356.511 0.626 20 0 FCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000419753644 246283993 /nfs/dbraw/zinc/28/39/93/246283993.db2.gz OBQQTXYFAKWFOT-AWEZNQCLSA-N 1 3 356.511 0.626 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000419778215 246293401 /nfs/dbraw/zinc/29/34/01/246293401.db2.gz OHANXDMOKLTSPR-RRFJBIMHSA-N 1 3 354.495 0.188 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419837648 246311924 /nfs/dbraw/zinc/31/19/24/246311924.db2.gz WXBLKEPRVUNTOM-IRXDYDNUSA-N 1 3 369.554 0.208 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000419876875 246343950 /nfs/dbraw/zinc/34/39/50/246343950.db2.gz PZQWJXSBCVNDGN-QGZVFWFLSA-N 1 3 361.490 0.620 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000419879712 246346665 /nfs/dbraw/zinc/34/66/65/246346665.db2.gz ZTBCEZSFLGEAKS-KRWDZBQOSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419905941 246362009 /nfs/dbraw/zinc/36/20/09/246362009.db2.gz XYPQNPFIEACXLU-YQQAZPJKSA-N 1 3 366.506 0.202 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419945029 246381184 /nfs/dbraw/zinc/38/11/84/246381184.db2.gz BWPMGHCGVNXXCN-DOTOQJQBSA-N 1 3 361.490 0.606 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423368366 247014258 /nfs/dbraw/zinc/01/42/58/247014258.db2.gz NDMVHUDERLDHBA-OAHLLOKOSA-N 1 3 350.463 0.628 20 0 FCADHO CN(C)C1(CNC(=O)c2cn(CCCC[NH3+])nn2)Cc2ccccc2C1 ZINC000423421359 247023016 /nfs/dbraw/zinc/02/30/16/247023016.db2.gz KHXIPWFYMDOACV-UHFFFAOYSA-N 1 3 356.474 0.846 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530550 247044481 /nfs/dbraw/zinc/04/44/81/247044481.db2.gz PPSHROWYMNRVNV-IRXDYDNUSA-N 1 3 367.538 0.199 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530550 247044487 /nfs/dbraw/zinc/04/44/87/247044487.db2.gz PPSHROWYMNRVNV-IRXDYDNUSA-N 1 3 367.538 0.199 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC000423566858 247055095 /nfs/dbraw/zinc/05/50/95/247055095.db2.gz CJCKXLSVHNHXHC-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423583236 247062568 /nfs/dbraw/zinc/06/25/68/247062568.db2.gz BVNRUXDIISABCI-QGZVFWFLSA-N 1 3 350.507 0.918 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000423481404 247034685 /nfs/dbraw/zinc/03/46/85/247034685.db2.gz QKNBIGHQKSEVLO-UHFFFAOYSA-N 1 3 362.474 0.535 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C[C@H]1[NH3+] ZINC000423475572 247035374 /nfs/dbraw/zinc/03/53/74/247035374.db2.gz QBCUGDYJBZNFFY-CRAIPNDOSA-N 1 3 373.501 0.952 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423610752 247075567 /nfs/dbraw/zinc/07/55/67/247075567.db2.gz NLRDJUKPOKBCTL-CQSZACIVSA-N 1 3 352.504 0.706 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645530 247089237 /nfs/dbraw/zinc/08/92/37/247089237.db2.gz KUUDUMIVVHFIRE-OTWHNJEPSA-N 1 3 370.497 0.917 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423645530 247089239 /nfs/dbraw/zinc/08/92/39/247089239.db2.gz KUUDUMIVVHFIRE-OTWHNJEPSA-N 1 3 370.497 0.917 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423771359 247139322 /nfs/dbraw/zinc/13/93/22/247139322.db2.gz FVZUSZWEJWFNQX-AEFFLSMTSA-N 1 3 358.486 0.978 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424218259 247178715 /nfs/dbraw/zinc/17/87/15/247178715.db2.gz RUYCWEAZDKMWAX-RCCFBDPRSA-N 1 3 356.470 0.588 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424495007 247239836 /nfs/dbraw/zinc/23/98/36/247239836.db2.gz OYUUMMIPHLPZSN-ZWKOTPCHSA-N 1 3 358.486 0.787 20 0 FCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000424456567 247225713 /nfs/dbraw/zinc/22/57/13/247225713.db2.gz PQVUZMUANSPHTH-QGZVFWFLSA-N 1 3 362.474 0.745 20 0 FCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000424456567 247225720 /nfs/dbraw/zinc/22/57/20/247225720.db2.gz PQVUZMUANSPHTH-QGZVFWFLSA-N 1 3 362.474 0.745 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)[C@@H]2C1 ZINC000425405941 247336323 /nfs/dbraw/zinc/33/63/23/247336323.db2.gz RRAXVQOYXCPTOQ-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C[N@@H+](C)CC4CC4)C3)[C@@H]2C1 ZINC000425405941 247336327 /nfs/dbraw/zinc/33/63/27/247336327.db2.gz RRAXVQOYXCPTOQ-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H]1CCNC(=O)[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000441180158 248240863 /nfs/dbraw/zinc/24/08/63/248240863.db2.gz MGMUEZKFNYUZBN-BBRMVZONSA-N 1 3 351.495 0.369 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000445935879 248380444 /nfs/dbraw/zinc/38/04/44/248380444.db2.gz USVTZBOFJMNUCF-UHFFFAOYSA-N 1 3 363.462 0.535 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1=O ZINC000468802678 249937718 /nfs/dbraw/zinc/93/77/18/249937718.db2.gz CPXDBFSTUXIQJQ-HNNXBMFYSA-N 1 3 362.474 0.976 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000480886905 250292425 /nfs/dbraw/zinc/29/24/25/250292425.db2.gz VPNATHGBKDTDEO-INIZCTEOSA-N 1 3 370.538 0.650 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000480886905 250292429 /nfs/dbraw/zinc/29/24/29/250292429.db2.gz VPNATHGBKDTDEO-INIZCTEOSA-N 1 3 370.538 0.650 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000480943511 250298665 /nfs/dbraw/zinc/29/86/65/250298665.db2.gz XSTPXJRPUNDFSO-BRWVUGGUSA-N 1 3 370.538 0.506 20 0 FCADHO C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)CN1CCN(C)CC1 ZINC000481697201 250350196 /nfs/dbraw/zinc/35/01/96/250350196.db2.gz PHWOLYJXRARBCK-NVXWUHKLSA-N 1 3 357.568 0.606 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879241 250370315 /nfs/dbraw/zinc/37/03/15/250370315.db2.gz NDRSWWXIWMNJEH-HZPDHXFCSA-N 1 3 368.522 0.044 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000106124966 208210269 /nfs/dbraw/zinc/21/02/69/208210269.db2.gz KPBZGWXXHCLBOX-CVEARBPZSA-N 1 3 368.522 0.090 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000266700622 210384927 /nfs/dbraw/zinc/38/49/27/210384927.db2.gz RTTMCXPOZZHRFC-UHFFFAOYSA-N 1 3 364.490 0.814 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246768470 209397913 /nfs/dbraw/zinc/39/79/13/209397913.db2.gz HZRHPKAUHSWLHJ-ZACQAIPSSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC000177411853 209023142 /nfs/dbraw/zinc/02/31/42/209023142.db2.gz QWMNTDFHXPXMMS-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000377763069 230002882 /nfs/dbraw/zinc/00/28/82/230002882.db2.gz RIRMYZAPERKAOI-KRWDZBQOSA-N 1 3 367.538 0.565 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410432869 230077485 /nfs/dbraw/zinc/07/74/85/230077485.db2.gz KNTLUIUWQISHCP-JKSUJKDBSA-N 1 3 354.495 0.108 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000410494330 230101689 /nfs/dbraw/zinc/10/16/89/230101689.db2.gz PXCGSPQMEPXTTM-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)n1 ZINC000505002195 484098885 /nfs/dbraw/zinc/09/88/85/484098885.db2.gz DSIPLZYMAQMYCJ-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000532596210 484201366 /nfs/dbraw/zinc/20/13/66/484201366.db2.gz OBKFLGQNSUREPI-UHFFFAOYSA-N 1 3 350.467 0.326 20 0 FCADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000508994160 484303468 /nfs/dbraw/zinc/30/34/68/484303468.db2.gz CMSLAPFZJRMPBO-AWEZNQCLSA-N 1 3 350.467 0.374 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000288011529 488932462 /nfs/dbraw/zinc/93/24/62/488932462.db2.gz BYSFTPUFSJETOF-ZDUSSCGKSA-N 1 3 350.467 0.545 20 0 FCADHO COCCN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000051759082 488142670 /nfs/dbraw/zinc/14/26/70/488142670.db2.gz UZEATVSXQLHCGK-UHFFFAOYSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327386 488384406 /nfs/dbraw/zinc/38/44/06/488384406.db2.gz GTJPGPYSTOCVAH-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667266 488385653 /nfs/dbraw/zinc/38/56/53/488385653.db2.gz UJCVBHTUAMTGRM-ROUUACIJSA-N 1 3 369.554 0.765 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000073667266 488385654 /nfs/dbraw/zinc/38/56/54/488385654.db2.gz UJCVBHTUAMTGRM-ROUUACIJSA-N 1 3 369.554 0.765 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000183394535 488392348 /nfs/dbraw/zinc/39/23/48/488392348.db2.gz QTKNRALPZRNPQT-UHFFFAOYSA-N 1 3 368.570 0.291 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185363015 488400640 /nfs/dbraw/zinc/40/06/40/488400640.db2.gz KFQVXRIDKHAIPM-KRWDZBQOSA-N 1 3 368.570 0.338 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2oc1=O ZINC000077823620 488418368 /nfs/dbraw/zinc/41/83/68/488418368.db2.gz ULKKACJRYUNYIK-UHFFFAOYSA-N 1 3 363.462 0.729 20 0 FCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000077836433 488418834 /nfs/dbraw/zinc/41/88/34/488418834.db2.gz QYCPFKCYYQWCRW-HOTGVXAUSA-N 1 3 355.527 0.911 20 0 FCADHO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000084599647 488450073 /nfs/dbraw/zinc/45/00/73/488450073.db2.gz QQEDNWMWFQGROL-UHFFFAOYSA-N 1 3 374.507 0.404 20 0 FCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246122373 488470134 /nfs/dbraw/zinc/47/01/34/488470134.db2.gz HJPIHTGQUBXOLD-TWMKSMIVSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000246122373 488470136 /nfs/dbraw/zinc/47/01/36/488470136.db2.gz HJPIHTGQUBXOLD-TWMKSMIVSA-N 1 3 352.523 0.879 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000093256704 488479228 /nfs/dbraw/zinc/47/92/28/488479228.db2.gz XFMZUTQMTRJAEQ-UHFFFAOYSA-N 1 3 354.539 0.831 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000093256704 488479230 /nfs/dbraw/zinc/47/92/30/488479230.db2.gz XFMZUTQMTRJAEQ-UHFFFAOYSA-N 1 3 354.539 0.831 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269256431 488483283 /nfs/dbraw/zinc/48/32/83/488483283.db2.gz SLTVLRKYRSLZOU-DOTOQJQBSA-N 1 3 360.458 0.701 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269256431 488483286 /nfs/dbraw/zinc/48/32/86/488483286.db2.gz SLTVLRKYRSLZOU-DOTOQJQBSA-N 1 3 360.458 0.701 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000102049776 488497110 /nfs/dbraw/zinc/49/71/10/488497110.db2.gz PIOZWNRWZLCFEX-RDJZCZTQSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000102049776 488497111 /nfs/dbraw/zinc/49/71/11/488497111.db2.gz PIOZWNRWZLCFEX-RDJZCZTQSA-N 1 3 365.522 0.713 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000103576701 488502565 /nfs/dbraw/zinc/50/25/65/488502565.db2.gz YIEVYTBCGQAKFD-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000103576701 488502569 /nfs/dbraw/zinc/50/25/69/488502569.db2.gz YIEVYTBCGQAKFD-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO CNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000104532873 488504589 /nfs/dbraw/zinc/50/45/89/488504589.db2.gz NLMQZQHBICXSMZ-UHFFFAOYSA-N 1 3 356.492 0.160 20 0 FCADHO C[N@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000104805413 488505679 /nfs/dbraw/zinc/50/56/79/488505679.db2.gz PQVYYECDOLCMJV-UHFFFAOYSA-N 1 3 365.522 0.810 20 0 FCADHO C[N@@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000104805413 488505682 /nfs/dbraw/zinc/50/56/82/488505682.db2.gz PQVYYECDOLCMJV-UHFFFAOYSA-N 1 3 365.522 0.810 20 0 FCADHO C[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000105223198 488507949 /nfs/dbraw/zinc/50/79/49/488507949.db2.gz PFMWSRGGEPBAND-GDBMZVCRSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000105223198 488507951 /nfs/dbraw/zinc/50/79/51/488507951.db2.gz PFMWSRGGEPBAND-GDBMZVCRSA-N 1 3 353.511 0.711 20 0 FCADHO CCOCC[N@@H+]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000106386535 488513457 /nfs/dbraw/zinc/51/34/57/488513457.db2.gz OTYJLKFPZMIYRJ-HCXYKTFWSA-N 1 3 357.539 0.889 20 0 FCADHO CCOCC[N@H+]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000106386535 488513459 /nfs/dbraw/zinc/51/34/59/488513459.db2.gz OTYJLKFPZMIYRJ-HCXYKTFWSA-N 1 3 357.539 0.889 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1=O ZINC000261610562 488526853 /nfs/dbraw/zinc/52/68/53/488526853.db2.gz BWMXGVRIMZSGBE-KURKYZTESA-N 1 3 358.486 0.597 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)NCC[NH+]1CCCCC1 ZINC000114581214 488540862 /nfs/dbraw/zinc/54/08/62/488540862.db2.gz KPEXHSITANPEAT-UHFFFAOYSA-N 1 3 355.527 0.162 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115816792 488545901 /nfs/dbraw/zinc/54/59/01/488545901.db2.gz FAJDOKIZPSAGPY-DLBZAZTESA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115816792 488545903 /nfs/dbraw/zinc/54/59/03/488545903.db2.gz FAJDOKIZPSAGPY-DLBZAZTESA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000262098754 488549979 /nfs/dbraw/zinc/54/99/79/488549979.db2.gz SPVNQQHPODHFOG-HNNXBMFYSA-N 1 3 368.503 0.224 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C[NH+]1CCCCC1 ZINC000120164800 488560054 /nfs/dbraw/zinc/56/00/54/488560054.db2.gz FGAAJMRQGGVAST-HNNXBMFYSA-N 1 3 364.494 0.621 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)C[C@@H](C)O1 ZINC000262274171 488560958 /nfs/dbraw/zinc/56/09/58/488560958.db2.gz YRGTUPPUHFRWSK-IAGOWNOFSA-N 1 3 352.523 0.630 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646555 488562357 /nfs/dbraw/zinc/56/23/57/488562357.db2.gz NVBPVBXDCHMXOA-IAGOWNOFSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000120646555 488562360 /nfs/dbraw/zinc/56/23/60/488562360.db2.gz NVBPVBXDCHMXOA-IAGOWNOFSA-N 1 3 353.511 0.665 20 0 FCADHO COCCNCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262632289 488583300 /nfs/dbraw/zinc/58/33/00/488583300.db2.gz FVOIBGUDVJMAQK-QGZVFWFLSA-N 1 3 362.474 0.236 20 0 FCADHO COCCNCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262632289 488583302 /nfs/dbraw/zinc/58/33/02/488583302.db2.gz FVOIBGUDVJMAQK-QGZVFWFLSA-N 1 3 362.474 0.236 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000563060860 491211343 /nfs/dbraw/zinc/21/13/43/491211343.db2.gz LZHGFJRHBURDFT-INIZCTEOSA-N 1 3 372.473 0.901 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000563060861 491211368 /nfs/dbraw/zinc/21/13/68/491211368.db2.gz LZHGFJRHBURDFT-MRXNPFEDSA-N 1 3 372.473 0.901 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000263226034 488606727 /nfs/dbraw/zinc/60/67/27/488606727.db2.gz GNGIDLXUPVBFQZ-JZXOWHBKSA-N 1 3 367.538 0.103 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000263226034 488606728 /nfs/dbraw/zinc/60/67/28/488606728.db2.gz GNGIDLXUPVBFQZ-JZXOWHBKSA-N 1 3 367.538 0.103 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000130587473 488638666 /nfs/dbraw/zinc/63/86/66/488638666.db2.gz NORXLHIMTNVMQB-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO CC(C)Cn1nccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130603287 488638705 /nfs/dbraw/zinc/63/87/05/488638705.db2.gz LXSNOUWUQVYGAU-UHFFFAOYSA-N 1 3 352.483 0.429 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130660769 488639411 /nfs/dbraw/zinc/63/94/11/488639411.db2.gz SEZHQXQRYVKCBM-HOTGVXAUSA-N 1 3 365.522 0.807 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130660769 488639412 /nfs/dbraw/zinc/63/94/12/488639412.db2.gz SEZHQXQRYVKCBM-HOTGVXAUSA-N 1 3 365.522 0.807 20 0 FCADHO CCN(C)CCNC(=O)Cc1ccc(CC(=O)NCC[N@H+](C)CC)cc1 ZINC000274106020 488683576 /nfs/dbraw/zinc/68/35/76/488683576.db2.gz YDGHODBRWONALQ-UHFFFAOYSA-N 1 3 362.518 0.907 20 0 FCADHO CCN(C)CCNC(=O)Cc1ccc(CC(=O)NCC[N@@H+](C)CC)cc1 ZINC000274106020 488683578 /nfs/dbraw/zinc/68/35/78/488683578.db2.gz YDGHODBRWONALQ-UHFFFAOYSA-N 1 3 362.518 0.907 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154025834 488737612 /nfs/dbraw/zinc/73/76/12/488737612.db2.gz JYGVWMMSYWOXLU-HNNXBMFYSA-N 1 3 364.494 0.574 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154025834 488737614 /nfs/dbraw/zinc/73/76/14/488737614.db2.gz JYGVWMMSYWOXLU-HNNXBMFYSA-N 1 3 364.494 0.574 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000154161467 488739327 /nfs/dbraw/zinc/73/93/27/488739327.db2.gz AANXGUQBMAPBIZ-UHFFFAOYSA-N 1 3 356.511 0.585 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000154161467 488739330 /nfs/dbraw/zinc/73/93/30/488739330.db2.gz AANXGUQBMAPBIZ-UHFFFAOYSA-N 1 3 356.511 0.585 20 0 FCADHO CC[N@@H+]1CC[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125375 488762399 /nfs/dbraw/zinc/76/23/99/488762399.db2.gz OLSGNXIGYHTLFN-SJORKVTESA-N 1 3 360.506 0.835 20 0 FCADHO CC[N@H+]1CC[C@H](NCCC(=O)N2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000156125375 488762401 /nfs/dbraw/zinc/76/24/01/488762401.db2.gz OLSGNXIGYHTLFN-SJORKVTESA-N 1 3 360.506 0.835 20 0 FCADHO COC1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[NH2+]CC1 ZINC000166619596 488811962 /nfs/dbraw/zinc/81/19/62/488811962.db2.gz DWKQILHNALTKJK-UHFFFAOYSA-N 1 3 362.430 0.863 20 0 FCADHO C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167410614 488812224 /nfs/dbraw/zinc/81/22/24/488812224.db2.gz CROWUYSIROGSED-IAGOWNOFSA-N 1 3 350.507 0.779 20 0 FCADHO O=C(C[C@H]1CNCCO1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168097985 488812521 /nfs/dbraw/zinc/81/25/21/488812521.db2.gz DFQNYYFEWNXYNU-RBUKOAKNSA-N 1 3 361.486 0.927 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000173487786 488843206 /nfs/dbraw/zinc/84/32/06/488843206.db2.gz OVWUNKLGBUVSPI-MSOLQXFVSA-N 1 3 369.554 0.526 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000279972988 488977846 /nfs/dbraw/zinc/97/78/46/488977846.db2.gz YDHRFUZYDKXJSB-CYBMUJFWSA-N 1 3 353.492 0.317 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)c1 ZINC000563203013 491226882 /nfs/dbraw/zinc/22/68/82/491226882.db2.gz QYNGNFNNRFSBPD-LJQANCHMSA-N 1 3 359.518 0.608 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CN1C1CC1 ZINC000289036033 489037780 /nfs/dbraw/zinc/03/77/80/489037780.db2.gz WHMNWSKZZKNFLV-CABCVRRESA-N 1 3 362.474 0.911 20 0 FCADHO CCN1CCN(CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000570283048 491230388 /nfs/dbraw/zinc/23/03/88/491230388.db2.gz KFHXBNIHFWRYJW-INIZCTEOSA-N 1 3 363.510 0.178 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1N(C)C ZINC000331381223 489204195 /nfs/dbraw/zinc/20/41/95/489204195.db2.gz FNPUZAHQJSCVGP-PBHICJAKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000297604517 489213373 /nfs/dbraw/zinc/21/33/73/489213373.db2.gz BSBZEEFCPZCPOE-MRXNPFEDSA-N 1 3 364.490 0.970 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000297604517 489213375 /nfs/dbraw/zinc/21/33/75/489213375.db2.gz BSBZEEFCPZCPOE-MRXNPFEDSA-N 1 3 364.490 0.970 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C[NH+](C)C)CC1 ZINC000332484698 489219321 /nfs/dbraw/zinc/21/93/21/489219321.db2.gz APULVVVHPITFCZ-MRXNPFEDSA-N 1 3 360.506 0.787 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000563454179 491248825 /nfs/dbraw/zinc/24/88/25/491248825.db2.gz JLKGOFCIXFHIEU-UHFFFAOYSA-N 1 3 362.474 0.067 20 0 FCADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)N(C)C)c1cnn(C)c1)[NH+](C)C ZINC000298724241 489357435 /nfs/dbraw/zinc/35/74/35/489357435.db2.gz WVZJDRWGOSNOEC-XHSDSOJGSA-N 1 3 366.510 0.374 20 0 FCADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)c1cnn(C)c1)N(C)C ZINC000298724241 489357437 /nfs/dbraw/zinc/35/74/37/489357437.db2.gz WVZJDRWGOSNOEC-XHSDSOJGSA-N 1 3 366.510 0.374 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000370735792 489394989 /nfs/dbraw/zinc/39/49/89/489394989.db2.gz ZQSDLFIIGYBBPL-DJIMGWMZSA-N 1 3 363.506 0.417 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000370735792 489394992 /nfs/dbraw/zinc/39/49/92/489394992.db2.gz ZQSDLFIIGYBBPL-DJIMGWMZSA-N 1 3 363.506 0.417 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000286603175 489408787 /nfs/dbraw/zinc/40/87/87/489408787.db2.gz XGRVTBDYXXDEOG-HNNXBMFYSA-N 1 3 361.490 0.871 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000286791076 489429347 /nfs/dbraw/zinc/42/93/47/489429347.db2.gz VRFXDIVODFGQET-UHFFFAOYSA-N 1 3 364.490 0.306 20 0 FCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183137 489434996 /nfs/dbraw/zinc/43/49/96/489434996.db2.gz OHRZHFBACJNJLA-QZTJIDSGSA-N 1 3 366.506 0.603 20 0 FCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183137 489435001 /nfs/dbraw/zinc/43/50/01/489435001.db2.gz OHRZHFBACJNJLA-QZTJIDSGSA-N 1 3 366.506 0.603 20 0 FCADHO CN(CCNS(C)(=O)=O)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371158157 489458254 /nfs/dbraw/zinc/45/82/54/489458254.db2.gz QQDDNLDNGNHHBP-UHFFFAOYSA-N 1 3 360.568 0.664 20 0 FCADHO COC[C@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423096170 489492476 /nfs/dbraw/zinc/49/24/76/489492476.db2.gz HDDVOALTZMKNQO-LBPRGKRZSA-N 1 3 351.419 0.587 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423094937 489492625 /nfs/dbraw/zinc/49/26/25/489492625.db2.gz LALWWPZPZFPUSX-INIZCTEOSA-N 1 3 364.465 0.926 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000423094079 489492864 /nfs/dbraw/zinc/49/28/64/489492864.db2.gz JGKFAQNKDFRBIN-WMLDXEAASA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423094938 489493080 /nfs/dbraw/zinc/49/30/80/489493080.db2.gz LALWWPZPZFPUSX-MRXNPFEDSA-N 1 3 364.465 0.926 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423162990 489498088 /nfs/dbraw/zinc/49/80/88/489498088.db2.gz LZXRPDOBPXPPDD-IAGOWNOFSA-N 1 3 359.474 0.454 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423169487 489498973 /nfs/dbraw/zinc/49/89/73/489498973.db2.gz WAFZFZYMSKTBJV-HOCLYGCPSA-N 1 3 364.465 0.912 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)o1 ZINC000423173146 489499524 /nfs/dbraw/zinc/49/95/24/489499524.db2.gz XDUWKMPZOBETGG-HOTGVXAUSA-N 1 3 362.474 0.546 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423199121 489501532 /nfs/dbraw/zinc/50/15/32/489501532.db2.gz JCLRPZBEHVDTID-SFHVURJKSA-N 1 3 374.485 0.296 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423206279 489503050 /nfs/dbraw/zinc/50/30/50/489503050.db2.gz QGUGKPGYTPBORB-UHFFFAOYSA-N 1 3 350.438 0.666 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423212133 489503572 /nfs/dbraw/zinc/50/35/72/489503572.db2.gz LQHXLVYAVSVKJI-JYJNAYRXSA-N 1 3 354.495 0.141 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423217986 489504241 /nfs/dbraw/zinc/50/42/41/489504241.db2.gz TVZUZAQJXKWCME-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423219157 489504734 /nfs/dbraw/zinc/50/47/34/489504734.db2.gz WHAUAGSTYGLOSW-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423231497 489505636 /nfs/dbraw/zinc/50/56/36/489505636.db2.gz LJEPSXQLVMGLQT-SFHVURJKSA-N 1 3 358.486 0.713 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000423258180 489507756 /nfs/dbraw/zinc/50/77/56/489507756.db2.gz LNIJENXSHFJBBJ-GOSISDBHSA-N 1 3 360.502 0.953 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000423284000 489511553 /nfs/dbraw/zinc/51/15/53/489511553.db2.gz XWUMOCMMXRAJOO-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(C)c2)C1 ZINC000415393912 489517405 /nfs/dbraw/zinc/51/74/05/489517405.db2.gz LMICRLXVBKIKSP-OAHLLOKOSA-N 1 3 362.474 0.942 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CCCC2)CC1 ZINC000570720498 491260407 /nfs/dbraw/zinc/26/04/07/491260407.db2.gz GBFROUOBHCEUNC-LSDHHAIUSA-N 1 3 368.522 0.768 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000415462713 489523178 /nfs/dbraw/zinc/52/31/78/489523178.db2.gz AKDROVSZRWMFJI-CYBMUJFWSA-N 1 3 352.410 0.654 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415498887 489525814 /nfs/dbraw/zinc/52/58/14/489525814.db2.gz QMGZKQZPTSCBFW-AWEZNQCLSA-N 1 3 366.437 0.915 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415515744 489526541 /nfs/dbraw/zinc/52/65/41/489526541.db2.gz DQRPHIIOYJHYOV-QWHCGFSZSA-N 1 3 366.437 0.900 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)c2)CC1 ZINC000415542239 489527745 /nfs/dbraw/zinc/52/77/45/489527745.db2.gz PPIMFJRBBBZWLU-JKSUJKDBSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000415539520 489527922 /nfs/dbraw/zinc/52/79/22/489527922.db2.gz MJPPXFREVUUPRB-QGZVFWFLSA-N 1 3 359.474 0.621 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843528 489533286 /nfs/dbraw/zinc/53/32/86/489533286.db2.gz JIFUIQVVDHRCDS-GJZGRUSLSA-N 1 3 367.494 0.191 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425843528 489533287 /nfs/dbraw/zinc/53/32/87/489533287.db2.gz JIFUIQVVDHRCDS-GJZGRUSLSA-N 1 3 367.494 0.191 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415709473 489543915 /nfs/dbraw/zinc/54/39/15/489543915.db2.gz PKKGWVXJSDBRFZ-KRWDZBQOSA-N 1 3 373.501 0.501 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(C)C2C[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000415729515 489547308 /nfs/dbraw/zinc/54/73/08/489547308.db2.gz CIONZOOITVVVDT-UHFFFAOYSA-N 1 3 373.501 0.894 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415753679 489550072 /nfs/dbraw/zinc/55/00/72/489550072.db2.gz YYCZWZMGIXQBNY-CABCVRRESA-N 1 3 360.458 0.633 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCCN(C)C ZINC000415753487 489550199 /nfs/dbraw/zinc/55/01/99/489550199.db2.gz YMNADQNYNCJIBT-HOTGVXAUSA-N 1 3 374.485 0.942 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)c2)CC1 ZINC000415810105 489554103 /nfs/dbraw/zinc/55/41/03/489554103.db2.gz NSQWJPABUIIKOR-UHFFFAOYSA-N 1 3 359.474 0.715 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415868709 489562305 /nfs/dbraw/zinc/56/23/05/489562305.db2.gz QSFQWWHZBHWEEC-KRWDZBQOSA-N 1 3 360.458 0.716 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416010423 489567567 /nfs/dbraw/zinc/56/75/67/489567567.db2.gz QFLBOAICGODCRQ-LBPRGKRZSA-N 1 3 367.416 0.462 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454641941 489574477 /nfs/dbraw/zinc/57/44/77/489574477.db2.gz FPDGUYHMHMRZRA-HRCADAONSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454641941 489574478 /nfs/dbraw/zinc/57/44/78/489574478.db2.gz FPDGUYHMHMRZRA-HRCADAONSA-N 1 3 351.495 0.275 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426572306 489575543 /nfs/dbraw/zinc/57/55/43/489575543.db2.gz BCVFIFXNOZZMFO-IAGOWNOFSA-N 1 3 356.511 0.584 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570788561 491264250 /nfs/dbraw/zinc/26/42/50/491264250.db2.gz FXOFZMQYACZHON-CVEARBPZSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788561 491264252 /nfs/dbraw/zinc/26/42/52/491264252.db2.gz FXOFZMQYACZHON-CVEARBPZSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786006 491264571 /nfs/dbraw/zinc/26/45/71/491264571.db2.gz REYOBOXEXUUJON-ZIAGYGMSSA-N 1 3 365.444 0.947 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC1 ZINC000427307967 489601875 /nfs/dbraw/zinc/60/18/75/489601875.db2.gz KVRVQDWXHFKCPP-UHFFFAOYSA-N 1 3 362.478 0.689 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000416831352 489631479 /nfs/dbraw/zinc/63/14/79/489631479.db2.gz BBRGEVSVELNMRQ-ROUUACIJSA-N 1 3 373.501 0.757 20 0 FCADHO C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000417027554 489639210 /nfs/dbraw/zinc/63/92/10/489639210.db2.gz ZXXZIHRLJFYTSW-OAGGEKHMSA-N 1 3 353.511 0.603 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417378732 489650631 /nfs/dbraw/zinc/65/06/31/489650631.db2.gz FLONJCJIWGZKDB-ZWKOTPCHSA-N 1 3 372.517 0.845 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417429041 489652351 /nfs/dbraw/zinc/65/23/51/489652351.db2.gz MPDJOKRUNDFJAC-OAGGEKHMSA-N 1 3 353.511 0.746 20 0 FCADHO CCN(CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417428406 489652544 /nfs/dbraw/zinc/65/25/44/489652544.db2.gz KXLZTMVLEQUJHO-ZDUSSCGKSA-N 1 3 351.417 0.606 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417433074 489653256 /nfs/dbraw/zinc/65/32/56/489653256.db2.gz UWSUKCIHBPNQGV-QAETUUGQSA-N 1 3 365.522 0.698 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417436227 489653621 /nfs/dbraw/zinc/65/36/21/489653621.db2.gz ZNDKBLUWZNFWHD-YJBOKZPZSA-N 1 3 353.511 0.618 20 0 FCADHO C[C@H]1NCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H]1C ZINC000417472013 489655321 /nfs/dbraw/zinc/65/53/21/489655321.db2.gz HZJGTSBDOGDOIT-HUUCEWRRSA-N 1 3 361.490 0.870 20 0 FCADHO C[C@@H]1CCN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)[C@H](C[NH3+])C1 ZINC000417558633 489658066 /nfs/dbraw/zinc/65/80/66/489658066.db2.gz FYOLGGUQIXVLDY-ZBFHGGJFSA-N 1 3 353.511 0.698 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417579601 489658829 /nfs/dbraw/zinc/65/88/29/489658829.db2.gz BAODMCFSAVIWJG-JZXOWHBKSA-N 1 3 365.522 0.807 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417582425 489659176 /nfs/dbraw/zinc/65/91/76/489659176.db2.gz IAUWCVFCIGADGA-JKSUJKDBSA-N 1 3 353.511 0.890 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000417761484 489664637 /nfs/dbraw/zinc/66/46/37/489664637.db2.gz ZFAUYZSTGIIGFF-AGIUHOORSA-N 1 3 351.417 0.604 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458193291 489673719 /nfs/dbraw/zinc/67/37/19/489673719.db2.gz FPGCPXRHDCMVGD-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458193291 489673721 /nfs/dbraw/zinc/67/37/21/489673721.db2.gz FPGCPXRHDCMVGD-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426998 489683009 /nfs/dbraw/zinc/68/30/09/489683009.db2.gz NQXHOUWODYWLCF-JKSUJKDBSA-N 1 3 353.511 0.698 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000458426998 489683012 /nfs/dbraw/zinc/68/30/12/489683012.db2.gz NQXHOUWODYWLCF-JKSUJKDBSA-N 1 3 353.511 0.698 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000563823305 491271265 /nfs/dbraw/zinc/27/12/65/491271265.db2.gz YOLVFAWBMSXNQS-XOSAIJSUSA-N 1 3 363.506 0.593 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000563823305 491271266 /nfs/dbraw/zinc/27/12/66/491271266.db2.gz YOLVFAWBMSXNQS-XOSAIJSUSA-N 1 3 363.506 0.593 20 0 FCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609335 489709822 /nfs/dbraw/zinc/70/98/22/489709822.db2.gz FHGSIMYPZJSFKB-RDBSUJKOSA-N 1 3 365.444 0.804 20 0 FCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418638171 489714409 /nfs/dbraw/zinc/71/44/09/489714409.db2.gz OJKWBKCMHRIEQC-IBGZPJMESA-N 1 3 369.554 0.814 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000570918586 491273465 /nfs/dbraw/zinc/27/34/65/491273465.db2.gz DUOPPCGOVWKDCX-QGZVFWFLSA-N 1 3 352.523 0.977 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418663641 489716848 /nfs/dbraw/zinc/71/68/48/489716848.db2.gz HCZDQTJDZJTSRQ-QAQDUYKDSA-N 1 3 367.538 0.947 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132437 489719281 /nfs/dbraw/zinc/71/92/81/489719281.db2.gz IOEYTCHPHMFSDW-MAUKXSAKSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132437 489719286 /nfs/dbraw/zinc/71/92/86/489719286.db2.gz IOEYTCHPHMFSDW-MAUKXSAKSA-N 1 3 353.511 0.713 20 0 FCADHO CC(C)C[C@H](NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C(=O)NCCN(C)C ZINC000418725766 489720313 /nfs/dbraw/zinc/72/03/13/489720313.db2.gz PAPSWPAOWBRCRW-PMPSAXMXSA-N 1 3 355.527 0.896 20 0 FCADHO NC(=O)C1(NCCOCC[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000489718582 489725533 /nfs/dbraw/zinc/72/55/33/489725533.db2.gz YYHSWMACRLKRTF-UHFFFAOYSA-N 1 3 354.495 0.559 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418794666 489728560 /nfs/dbraw/zinc/72/85/60/489728560.db2.gz RKXUVMUFCNHHGI-HKUYNNGSSA-N 1 3 362.474 0.301 20 0 FCADHO NCCNC(=O)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000418806837 489732215 /nfs/dbraw/zinc/73/22/15/489732215.db2.gz OYWVREOFFZNASL-UHFFFAOYSA-N 1 3 360.502 0.912 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831553 489744820 /nfs/dbraw/zinc/74/48/20/489744820.db2.gz GPXDHIYLAHGEAY-MSOLQXFVSA-N 1 3 360.502 0.909 20 0 FCADHO CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)C[NH3+] ZINC000430551839 489745942 /nfs/dbraw/zinc/74/59/42/489745942.db2.gz JEYIPHMVKXFPCU-UHFFFAOYSA-N 1 3 370.519 0.300 20 0 FCADHO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)CN ZINC000430551839 489745944 /nfs/dbraw/zinc/74/59/44/489745944.db2.gz JEYIPHMVKXFPCU-UHFFFAOYSA-N 1 3 370.519 0.300 20 0 FCADHO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)CN ZINC000430551839 489745947 /nfs/dbraw/zinc/74/59/47/489745947.db2.gz JEYIPHMVKXFPCU-UHFFFAOYSA-N 1 3 370.519 0.300 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)([NH+](C)C)C1 ZINC000563900070 491276335 /nfs/dbraw/zinc/27/63/35/491276335.db2.gz ORJHSLRCBUHQQW-FSZRXZPDSA-N 1 3 351.495 0.450 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838030 489749289 /nfs/dbraw/zinc/74/92/89/489749289.db2.gz ACQGMCLPYUOHTF-GXTWGEPZSA-N 1 3 354.495 0.595 20 0 FCADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600325 489751058 /nfs/dbraw/zinc/75/10/58/489751058.db2.gz HLVXVYYIGDZFCE-UKRRQHHQSA-N 1 3 364.515 0.808 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000418853983 489758719 /nfs/dbraw/zinc/75/87/19/489758719.db2.gz SURFJYLLESOEPP-MSOLQXFVSA-N 1 3 360.502 0.781 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000418859304 489761315 /nfs/dbraw/zinc/76/13/15/489761315.db2.gz KQFLSUWWOAKITB-FGTMMUONSA-N 1 3 358.486 0.864 20 0 FCADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418863600 489763207 /nfs/dbraw/zinc/76/32/07/489763207.db2.gz PMPBCHGPDMYEKM-SJORKVTESA-N 1 3 360.458 0.044 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000430711212 489765617 /nfs/dbraw/zinc/76/56/17/489765617.db2.gz DNLCGGZJTNYRJP-OIISXLGYSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418885937 489775889 /nfs/dbraw/zinc/77/58/89/489775889.db2.gz ZPUMLZDQMUTILO-OAGGEKHMSA-N 1 3 354.495 0.237 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N(C)CCN(C)C)C2)CC1 ZINC000459895187 489783987 /nfs/dbraw/zinc/78/39/87/489783987.db2.gz KBVGUNRUOCEHKZ-KRWDZBQOSA-N 1 3 352.523 0.977 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945036 489799320 /nfs/dbraw/zinc/79/93/20/489799320.db2.gz KXELWVDBBPVJHW-NVXWUHKLSA-N 1 3 362.474 0.199 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000418949856 489801762 /nfs/dbraw/zinc/80/17/62/489801762.db2.gz QALQCYABQCSLKW-NXHRZFHOSA-N 1 3 358.486 0.976 20 0 FCADHO CC1CCN([C@@H](CNC(=O)C(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000418957407 489804397 /nfs/dbraw/zinc/80/43/97/489804397.db2.gz ZMQFSEXJQPEHSA-SFHVURJKSA-N 1 3 358.486 0.911 20 0 FCADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418971109 489808139 /nfs/dbraw/zinc/80/81/39/489808139.db2.gz XHZUERDHXQEYLY-MRXNPFEDSA-N 1 3 360.458 0.256 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000418985975 489810200 /nfs/dbraw/zinc/81/02/00/489810200.db2.gz NTHNFJLRLDFOHT-RYQLBKOJSA-N 1 3 358.486 0.788 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000418985975 489810205 /nfs/dbraw/zinc/81/02/05/489810205.db2.gz NTHNFJLRLDFOHT-RYQLBKOJSA-N 1 3 358.486 0.788 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000460001569 489814851 /nfs/dbraw/zinc/81/48/51/489814851.db2.gz YZUURTCLRYSDEY-DLBZAZTESA-N 1 3 350.507 0.731 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000419027343 489823582 /nfs/dbraw/zinc/82/35/82/489823582.db2.gz CEDOKQWZKNFPOP-HNNXBMFYSA-N 1 3 368.547 0.708 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419029676 489824759 /nfs/dbraw/zinc/82/47/59/489824759.db2.gz GICSXEXQGIBUMF-OAHLLOKOSA-N 1 3 368.547 0.675 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419038928 489828962 /nfs/dbraw/zinc/82/89/62/489828962.db2.gz ULIWIFFMHPVHHK-OAHLLOKOSA-N 1 3 368.547 0.723 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419056430 489837422 /nfs/dbraw/zinc/83/74/22/489837422.db2.gz LMKLLMLAVWCEMD-FGTMMUONSA-N 1 3 374.485 0.118 20 0 FCADHO NC[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419064869 489841014 /nfs/dbraw/zinc/84/10/14/489841014.db2.gz CQHFVEPVKDBVSL-GOSISDBHSA-N 1 3 358.486 0.868 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NCCN1CCCCCC1 ZINC000432431863 489841871 /nfs/dbraw/zinc/84/18/71/489841871.db2.gz FHHAYESQAFRTDN-DLBZAZTESA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)NCCN1CCCCCC1 ZINC000432431863 489841874 /nfs/dbraw/zinc/84/18/74/489841874.db2.gz FHHAYESQAFRTDN-DLBZAZTESA-N 1 3 365.522 0.905 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419069854 489844621 /nfs/dbraw/zinc/84/46/21/489844621.db2.gz GQSKGAORGYWPJC-CJNGLKHVSA-N 1 3 350.463 0.658 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000571056895 491283183 /nfs/dbraw/zinc/28/31/83/491283183.db2.gz GQYXOPBGOSTVCT-UHFFFAOYSA-N 1 3 364.494 0.071 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419099113 489855174 /nfs/dbraw/zinc/85/51/74/489855174.db2.gz DKCWFLXGPCIBDE-IRXDYDNUSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419103978 489855828 /nfs/dbraw/zinc/85/58/28/489855828.db2.gz GUVCAWCVPGHYCX-NXHRZFHOSA-N 1 3 358.486 0.691 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000460250700 489858385 /nfs/dbraw/zinc/85/83/85/489858385.db2.gz LDNDLCSHTWZOHM-GOSISDBHSA-N 1 3 350.463 0.493 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000460265763 489860869 /nfs/dbraw/zinc/86/08/69/489860869.db2.gz ZEMCFGBMSIVQEB-XYJFISCASA-N 1 3 356.511 0.489 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000460265763 489860872 /nfs/dbraw/zinc/86/08/72/489860872.db2.gz ZEMCFGBMSIVQEB-XYJFISCASA-N 1 3 356.511 0.489 20 0 FCADHO CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000460336674 489863444 /nfs/dbraw/zinc/86/34/44/489863444.db2.gz UZWDYAXBWZRKGV-GOSISDBHSA-N 1 3 369.554 0.766 20 0 FCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419119385 489864202 /nfs/dbraw/zinc/86/42/02/489864202.db2.gz JRLANSPFJXIYQL-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)[C@H](C[NH3+])C1 ZINC000419123046 489866861 /nfs/dbraw/zinc/86/68/61/489866861.db2.gz OUWLTDWGQWUZJW-OWCLPIDISA-N 1 3 354.495 0.332 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C[NH+]1CCCCC1 ZINC000420031902 489887373 /nfs/dbraw/zinc/88/73/73/489887373.db2.gz HMEXOXLTOMLNDU-RBSFLKMASA-N 1 3 354.495 0.454 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420032567 489887460 /nfs/dbraw/zinc/88/74/60/489887460.db2.gz MZOAMIOUYKMFPQ-MRXNPFEDSA-N 1 3 350.438 0.569 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420031971 489887465 /nfs/dbraw/zinc/88/74/65/489887465.db2.gz HOHWXTJHDKRHIW-KKUMJFAQSA-N 1 3 352.479 0.160 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000420053151 489894532 /nfs/dbraw/zinc/89/45/32/489894532.db2.gz IMMRAZGZNBNGIH-HUUCEWRRSA-N 1 3 368.522 0.578 20 0 FCADHO NC[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000420057870 489896945 /nfs/dbraw/zinc/89/69/45/489896945.db2.gz HXJZUYMQTIWBBC-QGZVFWFLSA-N 1 3 350.507 0.955 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000420065366 489900488 /nfs/dbraw/zinc/90/04/88/489900488.db2.gz POPYOSSWBZJOOF-CPUCHLNUSA-N 1 3 366.506 0.188 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420065203 489900530 /nfs/dbraw/zinc/90/05/30/489900530.db2.gz XINGFNGMMHMLMH-INIZCTEOSA-N 1 3 361.490 0.748 20 0 FCADHO COCCN(C)CCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433789137 489900852 /nfs/dbraw/zinc/90/08/52/489900852.db2.gz CVIKFEYFLYUAEI-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(F)cc1F ZINC000571143237 491288034 /nfs/dbraw/zinc/28/80/34/491288034.db2.gz KCYWHWZCBCFURS-UHFFFAOYSA-N 1 3 370.444 0.875 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420069218 489902754 /nfs/dbraw/zinc/90/27/54/489902754.db2.gz VNMMYJPCABRDPI-QZTJIDSGSA-N 1 3 373.501 0.748 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420103638 489913219 /nfs/dbraw/zinc/91/32/19/489913219.db2.gz PTMUNFUQQMFGRU-GOSISDBHSA-N 1 3 374.485 0.475 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420119400 489919104 /nfs/dbraw/zinc/91/91/04/489919104.db2.gz KVQVKFMTOPLZLS-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420145324 489929714 /nfs/dbraw/zinc/92/97/14/489929714.db2.gz OPNNOHFHRVQWJT-OAGGEKHMSA-N 1 3 368.522 0.448 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000420168899 489938247 /nfs/dbraw/zinc/93/82/47/489938247.db2.gz KRYOZURYDCPDSN-CQSZACIVSA-N 1 3 352.454 0.830 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000420187473 489945380 /nfs/dbraw/zinc/94/53/80/489945380.db2.gz RJQYUFNLNALNFN-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000420187473 489945382 /nfs/dbraw/zinc/94/53/82/489945382.db2.gz RJQYUFNLNALNFN-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000420198445 489949624 /nfs/dbraw/zinc/94/96/24/489949624.db2.gz CKFBDMHFCWAOOE-NQNKBUKLSA-N 1 3 350.507 0.727 20 0 FCADHO C[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420202792 489950250 /nfs/dbraw/zinc/95/02/50/489950250.db2.gz JWDMSBQJCMSJEW-DOTOQJQBSA-N 1 3 374.485 0.078 20 0 FCADHO C[C@H](CN1CCOCC1)N(C)CCC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951301 /nfs/dbraw/zinc/95/13/01/489951301.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 1 3 356.555 0.682 20 0 FCADHO C[C@H](CN1CCOCC1)N(C)CCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951303 /nfs/dbraw/zinc/95/13/03/489951303.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 1 3 356.555 0.682 20 0 FCADHO C[C@H](CN1CCOCC1)[N@@H+](C)CCCN(C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951307 /nfs/dbraw/zinc/95/13/07/489951307.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 1 3 356.555 0.682 20 0 FCADHO C[C@H](CN1CCOCC1)[N@H+](C)CCCN(C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951309 /nfs/dbraw/zinc/95/13/09/489951309.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 1 3 356.555 0.682 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798581 489959906 /nfs/dbraw/zinc/95/99/06/489959906.db2.gz KEBYXIOAWOOVSD-HOTGVXAUSA-N 1 3 362.522 0.795 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000377798581 489959907 /nfs/dbraw/zinc/95/99/07/489959907.db2.gz KEBYXIOAWOOVSD-HOTGVXAUSA-N 1 3 362.522 0.795 20 0 FCADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420297662 489960626 /nfs/dbraw/zinc/96/06/26/489960626.db2.gz RIZJEJKSBJNROO-QAPCUYQASA-N 1 3 358.486 0.747 20 0 FCADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000420327217 489963860 /nfs/dbraw/zinc/96/38/60/489963860.db2.gz LBCTZTXXCPPLML-IRXDYDNUSA-N 1 3 358.490 0.447 20 0 FCADHO C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](CN)C1 ZINC000420341755 489964367 /nfs/dbraw/zinc/96/43/67/489964367.db2.gz QDWZOUCXDOAAMR-GXTWGEPZSA-N 1 3 354.476 0.722 20 0 FCADHO C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](CN)C1 ZINC000420341755 489964370 /nfs/dbraw/zinc/96/43/70/489964370.db2.gz QDWZOUCXDOAAMR-GXTWGEPZSA-N 1 3 354.476 0.722 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000420411374 489973205 /nfs/dbraw/zinc/97/32/05/489973205.db2.gz BVVQWIHKXHJIJX-DOMZBBRYSA-N 1 3 357.524 0.728 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000420412303 489973248 /nfs/dbraw/zinc/97/32/48/489973248.db2.gz COOFJMGTNQDWEO-OAHLLOKOSA-N 1 3 357.524 0.730 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000420411371 489973290 /nfs/dbraw/zinc/97/32/90/489973290.db2.gz BVJNMNZIAZEBDF-GFCCVEGCSA-N 1 3 357.524 0.809 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420447383 489978125 /nfs/dbraw/zinc/97/81/25/489978125.db2.gz IUHBFVQNECFBFJ-DOMZBBRYSA-N 1 3 357.524 0.809 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000477626594 489979456 /nfs/dbraw/zinc/97/94/56/489979456.db2.gz LTPVDYPEJZEKCU-HOTGVXAUSA-N 1 3 354.495 0.202 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000477655429 489983001 /nfs/dbraw/zinc/98/30/01/489983001.db2.gz XPYOKGGLKDPBNF-UHFFFAOYSA-N 1 3 368.522 0.594 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000477704186 489985520 /nfs/dbraw/zinc/98/55/20/489985520.db2.gz QRRXKGQODJJTOC-UHFFFAOYSA-N 1 3 354.495 0.156 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479202158 490072697 /nfs/dbraw/zinc/07/26/97/490072697.db2.gz BEJURKOVLFGJBG-KRWDZBQOSA-N 1 3 364.465 0.881 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000479203691 490073972 /nfs/dbraw/zinc/07/39/72/490073972.db2.gz GEBCPLNBUCZQJF-UHFFFAOYSA-N 1 3 353.492 0.317 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000465840916 490146981 /nfs/dbraw/zinc/14/69/81/490146981.db2.gz KIAHFFAYRDRSGI-IKGGRYGDSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000465840916 490146989 /nfs/dbraw/zinc/14/69/89/490146989.db2.gz KIAHFFAYRDRSGI-IKGGRYGDSA-N 1 3 365.522 0.807 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000564351968 491302689 /nfs/dbraw/zinc/30/26/89/491302689.db2.gz RFLSPTHSVDTUPF-MSOLQXFVSA-N 1 3 371.485 0.604 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCN1C ZINC000465863634 490148953 /nfs/dbraw/zinc/14/89/53/490148953.db2.gz HAPWUGVFEMKQHH-GDBMZVCRSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000520460153 490151415 /nfs/dbraw/zinc/15/14/15/490151415.db2.gz ZAFGTTFMMUEXCN-WBVHZDCISA-N 1 3 366.506 0.322 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C1=CC[N@@H+](C)CC1 ZINC000520460153 490151420 /nfs/dbraw/zinc/15/14/20/490151420.db2.gz ZAFGTTFMMUEXCN-WBVHZDCISA-N 1 3 366.506 0.322 20 0 FCADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000571355365 491302904 /nfs/dbraw/zinc/30/29/04/491302904.db2.gz UERHZQANIRJKPE-XYTVBORESA-N 1 3 365.522 0.806 20 0 FCADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000571355365 491302906 /nfs/dbraw/zinc/30/29/06/491302906.db2.gz UERHZQANIRJKPE-XYTVBORESA-N 1 3 365.522 0.806 20 0 FCADHO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000564354144 491303009 /nfs/dbraw/zinc/30/30/09/491303009.db2.gz DPBPJQUZNLPJDH-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000564354144 491303011 /nfs/dbraw/zinc/30/30/11/491303011.db2.gz DPBPJQUZNLPJDH-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446288164 490157767 /nfs/dbraw/zinc/15/77/67/490157767.db2.gz NYPMYTILCQSSPA-MBOZVWFJSA-N 1 3 366.550 0.909 20 0 FCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608411 490169182 /nfs/dbraw/zinc/16/91/82/490169182.db2.gz XZZAEKKVRASREZ-VQTJNVASSA-N 1 3 359.470 0.196 20 0 FCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608411 490169190 /nfs/dbraw/zinc/16/91/90/490169190.db2.gz XZZAEKKVRASREZ-VQTJNVASSA-N 1 3 359.470 0.196 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000466233892 490171450 /nfs/dbraw/zinc/17/14/50/490171450.db2.gz FUNWMGFUOFRJHC-DJIMGWMZSA-N 1 3 365.522 0.711 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000466233892 490171463 /nfs/dbraw/zinc/17/14/63/490171463.db2.gz FUNWMGFUOFRJHC-DJIMGWMZSA-N 1 3 365.522 0.711 20 0 FCADHO CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@]12CCCO2 ZINC000546137277 490194269 /nfs/dbraw/zinc/19/42/69/490194269.db2.gz NNZQLCYIFARKKD-JFIYKMOQSA-N 1 3 356.511 0.848 20 0 FCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000507411214 490217660 /nfs/dbraw/zinc/21/76/60/490217660.db2.gz WSXJICZYNKACAW-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000507411214 490217665 /nfs/dbraw/zinc/21/76/65/490217665.db2.gz WSXJICZYNKACAW-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CNC(=O)N[C@@H]1CCN(CCCCC[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466947655 490232698 /nfs/dbraw/zinc/23/26/98/490232698.db2.gz WUFBYMCZIFYMKJ-HUUCEWRRSA-N 1 3 354.499 0.163 20 0 FCADHO CNC(=O)N[C@@H]1CCN(CCCCC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466947655 490232703 /nfs/dbraw/zinc/23/27/03/490232703.db2.gz WUFBYMCZIFYMKJ-HUUCEWRRSA-N 1 3 354.499 0.163 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000422427332 490313783 /nfs/dbraw/zinc/31/37/83/490313783.db2.gz DDUACZOBRMUIGE-KRWDZBQOSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[C@H]2C)CC1=O ZINC000498725943 490332115 /nfs/dbraw/zinc/33/21/15/490332115.db2.gz KTZRZPPJPYXVJH-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[C@H]2C)CC1=O ZINC000498725943 490332117 /nfs/dbraw/zinc/33/21/17/490332117.db2.gz KTZRZPPJPYXVJH-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484089 490351583 /nfs/dbraw/zinc/35/15/83/490351583.db2.gz BWIWKBXXKMHBSO-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484089 490351587 /nfs/dbraw/zinc/35/15/87/490351587.db2.gz BWIWKBXXKMHBSO-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000422488433 490352337 /nfs/dbraw/zinc/35/23/37/490352337.db2.gz NBJQGEQTKHWOTB-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000422488433 490352339 /nfs/dbraw/zinc/35/23/39/490352339.db2.gz NBJQGEQTKHWOTB-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000468505286 490410571 /nfs/dbraw/zinc/41/05/71/490410571.db2.gz NKUXGKBSAKBTHA-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO C[C@@H]1C[C@@H](C)N(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000422638684 490437980 /nfs/dbraw/zinc/43/79/80/490437980.db2.gz QXEDYZSSDLJVTG-MCIONIFRSA-N 1 3 362.478 0.129 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000509718184 490456354 /nfs/dbraw/zinc/45/63/54/490456354.db2.gz XLVQFQNLTPGHOP-INIZCTEOSA-N 1 3 354.495 0.015 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000509723799 490457661 /nfs/dbraw/zinc/45/76/61/490457661.db2.gz ZJWZSNIVLVTTIQ-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000509723799 490457665 /nfs/dbraw/zinc/45/76/65/490457665.db2.gz ZJWZSNIVLVTTIQ-JKSUJKDBSA-N 1 3 354.495 0.014 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000509727054 490458485 /nfs/dbraw/zinc/45/84/85/490458485.db2.gz GYDKLSCTWDZWMX-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000509727054 490458488 /nfs/dbraw/zinc/45/84/88/490458488.db2.gz GYDKLSCTWDZWMX-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO CN1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693096 490486849 /nfs/dbraw/zinc/48/68/49/490486849.db2.gz VDDVHAMBFNXAJB-RYUDHWBXSA-N 1 3 351.476 0.601 20 0 FCADHO CN1CC[C@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693096 490486852 /nfs/dbraw/zinc/48/68/52/490486852.db2.gz VDDVHAMBFNXAJB-RYUDHWBXSA-N 1 3 351.476 0.601 20 0 FCADHO C[N@@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000523701179 490487764 /nfs/dbraw/zinc/48/77/64/490487764.db2.gz WPGMYKLOEQPXBQ-QGZVFWFLSA-N 1 3 355.527 0.018 20 0 FCADHO C[N@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000523701179 490487770 /nfs/dbraw/zinc/48/77/70/490487770.db2.gz WPGMYKLOEQPXBQ-QGZVFWFLSA-N 1 3 355.527 0.018 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000510381842 490512153 /nfs/dbraw/zinc/51/21/53/490512153.db2.gz ZQAXUCWOMLTWPU-IXDOHACOSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000510381842 490512157 /nfs/dbraw/zinc/51/21/57/490512157.db2.gz ZQAXUCWOMLTWPU-IXDOHACOSA-N 1 3 352.523 0.881 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000500436606 490516350 /nfs/dbraw/zinc/51/63/50/490516350.db2.gz AYVUWYPRICFVRO-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000500436606 490516358 /nfs/dbraw/zinc/51/63/58/490516358.db2.gz AYVUWYPRICFVRO-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2(N(C)C)CCC2)CCCO1 ZINC000500458282 490519689 /nfs/dbraw/zinc/51/96/89/490519689.db2.gz SFGYNZZNDGPHTB-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(N(C)C)CCC2)CCCO1 ZINC000500458282 490519692 /nfs/dbraw/zinc/51/96/92/490519692.db2.gz SFGYNZZNDGPHTB-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485784849 490558450 /nfs/dbraw/zinc/55/84/50/490558450.db2.gz PDEVVLXIWGEZHH-ZDUSSCGKSA-N 1 3 362.478 0.159 20 0 FCADHO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000485847809 490563225 /nfs/dbraw/zinc/56/32/25/490563225.db2.gz RVFDAVLFSIAIEU-ZHALLVOQSA-N 1 3 364.534 0.724 20 0 FCADHO C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1=CC[N@H+](C)CC1 ZINC000511214942 490571183 /nfs/dbraw/zinc/57/11/83/490571183.db2.gz GLRNUUWVVNMQBV-WBVHZDCISA-N 1 3 365.522 0.879 20 0 FCADHO C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1=CC[N@@H+](C)CC1 ZINC000511214942 490571187 /nfs/dbraw/zinc/57/11/87/490571187.db2.gz GLRNUUWVVNMQBV-WBVHZDCISA-N 1 3 365.522 0.879 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)CC1 ZINC000556797132 491337835 /nfs/dbraw/zinc/33/78/35/491337835.db2.gz YMBWFHATZBKGBN-ZWKOTPCHSA-N 1 3 362.518 0.873 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589251 490619508 /nfs/dbraw/zinc/61/95/08/490619508.db2.gz ODWZRGRNOLICRE-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640274 490630220 /nfs/dbraw/zinc/63/02/20/490630220.db2.gz NKUWLUVWJFLSGX-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640274 490630224 /nfs/dbraw/zinc/63/02/24/490630224.db2.gz NKUWLUVWJFLSGX-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1C ZINC000486461228 490633284 /nfs/dbraw/zinc/63/32/84/490633284.db2.gz ANQVBKUVWVYTKW-SJORKVTESA-N 1 3 367.538 0.911 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCN1C ZINC000486461228 490633290 /nfs/dbraw/zinc/63/32/90/490633290.db2.gz ANQVBKUVWVYTKW-SJORKVTESA-N 1 3 367.538 0.911 20 0 FCADHO CC(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCN1C ZINC000486461225 490633574 /nfs/dbraw/zinc/63/35/74/490633574.db2.gz ANQVBKUVWVYTKW-DLBZAZTESA-N 1 3 367.538 0.911 20 0 FCADHO CC(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCN1C ZINC000486461225 490633580 /nfs/dbraw/zinc/63/35/80/490633580.db2.gz ANQVBKUVWVYTKW-DLBZAZTESA-N 1 3 367.538 0.911 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021033 490638376 /nfs/dbraw/zinc/63/83/76/490638376.db2.gz ZGFFZBRHHJBCNT-HOTGVXAUSA-N 1 3 367.538 0.057 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000525882400 490645598 /nfs/dbraw/zinc/64/55/98/490645598.db2.gz DBWZURSGVVYLBZ-UHFFFAOYSA-N 1 3 361.446 0.072 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000550321902 490659479 /nfs/dbraw/zinc/65/94/79/490659479.db2.gz ICTKXDCXFXRQBV-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000550327034 490660767 /nfs/dbraw/zinc/66/07/67/490660767.db2.gz AAONOXUWCAGXLS-HNNXBMFYSA-N 1 3 354.495 0.062 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000572021828 491343714 /nfs/dbraw/zinc/34/37/14/491343714.db2.gz VFIGKHNYSDVUFJ-UHFFFAOYSA-N 1 3 368.522 0.452 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cnc2ccccc21 ZINC000550428539 490668413 /nfs/dbraw/zinc/66/84/13/490668413.db2.gz HOPQIKCJPPROJB-UHFFFAOYSA-N 1 3 374.489 0.104 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550467784 490672621 /nfs/dbraw/zinc/67/26/21/490672621.db2.gz VLBXWPIWQJQXTR-UHFFFAOYSA-N 1 3 367.538 0.071 20 0 FCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943025 490681579 /nfs/dbraw/zinc/68/15/79/490681579.db2.gz WVPMMRBHSREMSY-SZMVWBNQSA-N 1 3 360.502 0.589 20 0 FCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943025 490681584 /nfs/dbraw/zinc/68/15/84/490681584.db2.gz WVPMMRBHSREMSY-SZMVWBNQSA-N 1 3 360.502 0.589 20 0 FCADHO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512665684 490691603 /nfs/dbraw/zinc/69/16/03/490691603.db2.gz HBMNETSBUUCCBT-QGZVFWFLSA-N 1 3 355.527 0.160 20 0 FCADHO CC[N@H+]1CCC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512665684 490691606 /nfs/dbraw/zinc/69/16/06/490691606.db2.gz HBMNETSBUUCCBT-QGZVFWFLSA-N 1 3 355.527 0.160 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512661962 490691658 /nfs/dbraw/zinc/69/16/58/490691658.db2.gz VCIHNYSXQOIFCN-UHFFFAOYSA-N 1 3 369.554 0.549 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(CC)CC ZINC000565039952 491347339 /nfs/dbraw/zinc/34/73/39/491347339.db2.gz HHPDLBNNCHSSMN-BBWFWOEESA-N 1 3 365.522 0.854 20 0 FCADHO COCC[NH+](CCOC)C1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000512842287 490700806 /nfs/dbraw/zinc/70/08/06/490700806.db2.gz ZYRZAZSPKPNSQG-UHFFFAOYSA-N 1 3 370.538 0.210 20 0 FCADHO COCCN(CCOC)C1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000512842287 490700809 /nfs/dbraw/zinc/70/08/09/490700809.db2.gz ZYRZAZSPKPNSQG-UHFFFAOYSA-N 1 3 370.538 0.210 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000527123874 490700995 /nfs/dbraw/zinc/70/09/95/490700995.db2.gz LNRIAYIEZGTXPH-UHFFFAOYSA-N 1 3 364.446 0.348 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503422483 490755282 /nfs/dbraw/zinc/75/52/82/490755282.db2.gz DLXLOCQSOOXXHJ-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210872 490766553 /nfs/dbraw/zinc/76/65/53/490766553.db2.gz KQYAPGASFDZWAW-MSOLQXFVSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210872 490766555 /nfs/dbraw/zinc/76/65/55/490766555.db2.gz KQYAPGASFDZWAW-MSOLQXFVSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000514210872 490766558 /nfs/dbraw/zinc/76/65/58/490766558.db2.gz KQYAPGASFDZWAW-MSOLQXFVSA-N 1 3 354.539 0.877 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCCC1 ZINC000514951226 490799997 /nfs/dbraw/zinc/79/99/97/490799997.db2.gz LFCROGXRCBFSSE-HOTGVXAUSA-N 1 3 351.495 0.594 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCCC1 ZINC000514951226 490800000 /nfs/dbraw/zinc/80/00/00/490800000.db2.gz LFCROGXRCBFSSE-HOTGVXAUSA-N 1 3 351.495 0.594 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000572234252 491357258 /nfs/dbraw/zinc/35/72/58/491357258.db2.gz MQPTZMGCRACNKV-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000572242946 491357724 /nfs/dbraw/zinc/35/77/24/491357724.db2.gz DOHTWDJSCHZMNB-XYVMCAHJSA-N 1 3 358.486 0.961 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000515523609 490830395 /nfs/dbraw/zinc/83/03/95/490830395.db2.gz IXLRNVFRLWTRRE-IXDOHACOSA-N 1 3 363.506 0.324 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)[C@@H](C)C1 ZINC000557193858 491358723 /nfs/dbraw/zinc/35/87/23/491358723.db2.gz SAIOFCULGLVUHV-ULQDDVLXSA-N 1 3 355.527 0.408 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)[C@@H](C)C1 ZINC000557193858 491358726 /nfs/dbraw/zinc/35/87/26/491358726.db2.gz SAIOFCULGLVUHV-ULQDDVLXSA-N 1 3 355.527 0.408 20 0 FCADHO O=C(NC[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000515836976 490840030 /nfs/dbraw/zinc/84/00/30/490840030.db2.gz KUEWMLYXTLPITI-CRAIPNDOSA-N 1 3 362.518 0.968 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(=O)N1CCOCC1 ZINC000505804030 490840288 /nfs/dbraw/zinc/84/02/88/490840288.db2.gz YPZOLJBWEXDNKU-KRWDZBQOSA-N 1 3 368.522 0.500 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC(=O)N1CCOCC1 ZINC000505804030 490840290 /nfs/dbraw/zinc/84/02/90/490840290.db2.gz YPZOLJBWEXDNKU-KRWDZBQOSA-N 1 3 368.522 0.500 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000516912884 490884597 /nfs/dbraw/zinc/88/45/97/490884597.db2.gz OHESRGGMHWVKDP-KRWDZBQOSA-N 1 3 369.554 0.271 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000516912884 490884599 /nfs/dbraw/zinc/88/45/99/490884599.db2.gz OHESRGGMHWVKDP-KRWDZBQOSA-N 1 3 369.554 0.271 20 0 FCADHO COc1cc(C)cc(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000516989634 490889661 /nfs/dbraw/zinc/88/96/61/490889661.db2.gz NJRPZZLILIVQOX-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO COc1cc(C)cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000516989634 490889663 /nfs/dbraw/zinc/88/96/63/490889663.db2.gz NJRPZZLILIVQOX-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517019580 490890972 /nfs/dbraw/zinc/89/09/72/490890972.db2.gz QRLKQDVMMGZDFE-INIZCTEOSA-N 1 3 365.522 0.714 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000517616450 490914769 /nfs/dbraw/zinc/91/47/69/490914769.db2.gz KWYDQNANWWELBI-DLBZAZTESA-N 1 3 368.522 0.279 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530654411 490917744 /nfs/dbraw/zinc/91/77/44/490917744.db2.gz NSAUBTVZESANOE-OAQYLSRUSA-N 1 3 374.529 0.766 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@H]3CC(N)=O)CC2)CC1 ZINC000518214814 490933158 /nfs/dbraw/zinc/93/31/58/490933158.db2.gz CPRUTHYTJMGRNU-KRWDZBQOSA-N 1 3 366.506 0.286 20 0 FCADHO CN1CCN(CCCCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000543763174 490945572 /nfs/dbraw/zinc/94/55/72/490945572.db2.gz YKBAHYAEGWXPKT-UHFFFAOYSA-N 1 3 363.506 0.779 20 0 FCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000565253877 491366096 /nfs/dbraw/zinc/36/60/96/491366096.db2.gz KLTIVABAYLTWBD-ILXRZTDVSA-N 1 3 351.495 0.450 20 0 FCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000565253877 491366098 /nfs/dbraw/zinc/36/60/98/491366098.db2.gz KLTIVABAYLTWBD-ILXRZTDVSA-N 1 3 351.495 0.450 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000531357556 490953354 /nfs/dbraw/zinc/95/33/54/490953354.db2.gz ANVQEGVCYHCNHJ-UHFFFAOYSA-N 1 3 370.519 0.552 20 0 FCADHO CN1CCN(CCCCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000531366149 490954633 /nfs/dbraw/zinc/95/46/33/490954633.db2.gz OHYQJCVASKOGRS-KRWDZBQOSA-N 1 3 357.568 0.751 20 0 FCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000565255705 491366527 /nfs/dbraw/zinc/36/65/27/491366527.db2.gz TVPQXKDGEKIDNS-ZOBUZTSGSA-N 1 3 366.506 0.202 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000519227968 490966139 /nfs/dbraw/zinc/96/61/39/490966139.db2.gz WEZYRBRSGSWBRX-ARFHVFGLSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812237 490975421 /nfs/dbraw/zinc/97/54/21/490975421.db2.gz HNAYWLYXVHRMFA-NVXWUHKLSA-N 1 3 363.506 0.419 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531812237 490975422 /nfs/dbraw/zinc/97/54/22/490975422.db2.gz HNAYWLYXVHRMFA-NVXWUHKLSA-N 1 3 363.506 0.419 20 0 FCADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018322 491957041 /nfs/dbraw/zinc/95/70/41/491957041.db2.gz ACKBACGUQXLNOM-GDBMZVCRSA-N 1 3 367.490 0.677 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000553956629 491166605 /nfs/dbraw/zinc/16/66/05/491166605.db2.gz KLFQDZXNIRPZKB-LSDHHAIUSA-N 1 3 368.522 0.591 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000553956629 491166607 /nfs/dbraw/zinc/16/66/07/491166607.db2.gz KLFQDZXNIRPZKB-LSDHHAIUSA-N 1 3 368.522 0.591 20 0 FCADHO CCc1nc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000554047614 491173230 /nfs/dbraw/zinc/17/32/30/491173230.db2.gz OUSLEKFUJOIHFW-CYBMUJFWSA-N 1 3 369.535 0.835 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000668348668 493336023 /nfs/dbraw/zinc/33/60/23/493336023.db2.gz ZHEPWBHUBIAVKW-QGZVFWFLSA-N 1 3 368.522 0.591 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C[C@H]2[NH3+])cn1 ZINC000572521770 491376301 /nfs/dbraw/zinc/37/63/01/491376301.db2.gz SHEJDBJTTZOJRA-YTQUADARSA-N 1 3 368.485 0.980 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000557555022 491382475 /nfs/dbraw/zinc/38/24/75/491382475.db2.gz QSEKWEOJWVIBMO-QGZVFWFLSA-N 1 3 368.522 0.282 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000557555022 491382478 /nfs/dbraw/zinc/38/24/78/491382478.db2.gz QSEKWEOJWVIBMO-QGZVFWFLSA-N 1 3 368.522 0.282 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000565668538 491392488 /nfs/dbraw/zinc/39/24/88/491392488.db2.gz BPBCXQKIKSZAOI-PMPSAXMXSA-N 1 3 351.495 0.308 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000565668538 491392489 /nfs/dbraw/zinc/39/24/89/491392489.db2.gz BPBCXQKIKSZAOI-PMPSAXMXSA-N 1 3 351.495 0.308 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1(C)C ZINC000557743135 491395413 /nfs/dbraw/zinc/39/54/13/491395413.db2.gz RELUSJZWCAKHKG-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1(C)C ZINC000557743135 491395416 /nfs/dbraw/zinc/39/54/16/491395416.db2.gz RELUSJZWCAKHKG-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](CN)C1 ZINC000565765499 491398167 /nfs/dbraw/zinc/39/81/67/491398167.db2.gz SREJLENGMUXOJL-BBWFWOEESA-N 1 3 353.511 0.039 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2(CCC2)O1 ZINC000572880631 491399645 /nfs/dbraw/zinc/39/96/45/491399645.db2.gz GGKJLNXZEMWEIK-HNNXBMFYSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2(CCC2)O1 ZINC000572880632 491399877 /nfs/dbraw/zinc/39/98/77/491399877.db2.gz GGKJLNXZEMWEIK-OAHLLOKOSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)NCC[NH+](C)C ZINC000572898805 491400801 /nfs/dbraw/zinc/40/08/01/491400801.db2.gz KIEGJSQTCYEPSN-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000566288852 491433093 /nfs/dbraw/zinc/43/30/93/491433093.db2.gz NCURUQFPUVKXFR-XHSDSOJGSA-N 1 3 364.494 0.649 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000573505855 491437738 /nfs/dbraw/zinc/43/77/38/491437738.db2.gz DHNMPOWXPRMUGM-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000566396748 491440810 /nfs/dbraw/zinc/44/08/10/491440810.db2.gz BVQKIRDTTWWPMM-MRXNPFEDSA-N 1 3 368.522 0.452 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495094 491448392 /nfs/dbraw/zinc/44/83/92/491448392.db2.gz COOIKVBYPBQRNU-SJLPKXTDSA-N 1 3 356.470 0.613 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)c3ccccc3CC3CC[NH2+]CC3)CCN2C1=O ZINC000566495095 491448427 /nfs/dbraw/zinc/44/84/27/491448427.db2.gz COOIKVBYPBQRNU-WMZOPIPTSA-N 1 3 356.470 0.613 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000559465672 491475991 /nfs/dbraw/zinc/47/59/91/491475991.db2.gz UCIACCVCZMDVFI-UHFFFAOYSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398050 491493418 /nfs/dbraw/zinc/49/34/18/491493418.db2.gz ZJHXEBRFBQGVCR-JKSUJKDBSA-N 1 3 363.510 0.034 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000574589172 491507478 /nfs/dbraw/zinc/50/74/78/491507478.db2.gz IONKEFBBCDPOKS-QGZVFWFLSA-N 1 3 368.522 0.404 20 0 FCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000567571909 491514741 /nfs/dbraw/zinc/51/47/41/491514741.db2.gz MIAQKJBWRBZZOV-OAHLLOKOSA-N 1 3 355.552 0.551 20 0 FCADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668397987 493347790 /nfs/dbraw/zinc/34/77/90/493347790.db2.gz UCVICPRIMJZXJZ-QGZVFWFLSA-N 1 3 366.506 0.348 20 0 FCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574868562 491524747 /nfs/dbraw/zinc/52/47/47/491524747.db2.gz BSJDARANXJNLCJ-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CCn1ccnc1CN(C(=O)C[C@H]1CNCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567736043 491526184 /nfs/dbraw/zinc/52/61/84/491526184.db2.gz CCTQIIYIWIBMNF-JKSUJKDBSA-N 1 3 361.490 0.752 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)NCCCCN2CCN(C)CC2)CCCO1 ZINC000575198094 491545636 /nfs/dbraw/zinc/54/56/36/491545636.db2.gz LZKMGPVWNFGSIG-SFHVURJKSA-N 1 3 369.554 0.814 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)NCCCCN2CCN(C)CC2)CCCO1 ZINC000575198094 491545638 /nfs/dbraw/zinc/54/56/38/491545638.db2.gz LZKMGPVWNFGSIG-SFHVURJKSA-N 1 3 369.554 0.814 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@](C)(O)C(=O)OC)CC2)CC1 ZINC000568209163 491559297 /nfs/dbraw/zinc/55/92/97/491559297.db2.gz PJLKHKHKZRTIGH-SFHVURJKSA-N 1 3 355.479 0.223 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288173 491567033 /nfs/dbraw/zinc/56/70/33/491567033.db2.gz WDONRKPTRPVHHZ-BZZMCLGOSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288173 491567034 /nfs/dbraw/zinc/56/70/34/491567034.db2.gz WDONRKPTRPVHHZ-BZZMCLGOSA-N 1 3 371.485 0.603 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000568608992 491590938 /nfs/dbraw/zinc/59/09/38/491590938.db2.gz RAQMIIRAPUOWNW-ZBFHGGJFSA-N 1 3 351.495 0.500 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000576293248 491602309 /nfs/dbraw/zinc/60/23/09/491602309.db2.gz NXJBPPATVIQWIU-MSOLQXFVSA-N 1 3 358.486 0.630 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000577365212 491615244 /nfs/dbraw/zinc/61/52/44/491615244.db2.gz RISPXTIUMGZCSL-KSZLIROESA-N 1 3 354.458 0.743 20 0 FCADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000576703535 491637214 /nfs/dbraw/zinc/63/72/14/491637214.db2.gz JYZQOCDISXXDKP-JKSUJKDBSA-N 1 3 366.458 0.837 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000578497674 491678421 /nfs/dbraw/zinc/67/84/21/491678421.db2.gz UDRFUPNGAODJLF-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000578507699 491678682 /nfs/dbraw/zinc/67/86/82/491678682.db2.gz FOVZNDSWEUCJPW-UHFFFAOYSA-N 1 3 352.504 0.754 20 0 FCADHO Cc1cnc([C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000578796944 491684722 /nfs/dbraw/zinc/68/47/22/491684722.db2.gz ZBKKRBXMDHLXBK-ZDUSSCGKSA-N 1 3 369.535 0.623 20 0 FCADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000579091397 491690686 /nfs/dbraw/zinc/69/06/86/491690686.db2.gz SPJBEEQHVFFSMG-RBUKOAKNSA-N 1 3 374.533 0.981 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579106576 491690966 /nfs/dbraw/zinc/69/09/66/491690966.db2.gz XYDCPPYULKZSAD-INIZCTEOSA-N 1 3 354.495 0.250 20 0 FCADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000579359988 491696399 /nfs/dbraw/zinc/69/63/99/491696399.db2.gz YYNQVNMJMIPGBH-QZTJIDSGSA-N 1 3 372.517 0.979 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584778588 491713968 /nfs/dbraw/zinc/71/39/68/491713968.db2.gz PNMOVXBXFFCZSZ-RHSMWYFYSA-N 1 3 359.474 0.591 20 0 FCADHO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000580319921 491726092 /nfs/dbraw/zinc/72/60/92/491726092.db2.gz FFONEBLXMBAPMZ-INIZCTEOSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000580543533 491735234 /nfs/dbraw/zinc/73/52/34/491735234.db2.gz GXHPLEPRDIFJLX-QQXMDYFESA-N 1 3 369.550 0.814 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000580543533 491735235 /nfs/dbraw/zinc/73/52/35/491735235.db2.gz GXHPLEPRDIFJLX-QQXMDYFESA-N 1 3 369.550 0.814 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000580543534 491735240 /nfs/dbraw/zinc/73/52/40/491735240.db2.gz GXHPLEPRDIFJLX-YKXHTNLXSA-N 1 3 369.550 0.814 20 0 FCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000580543534 491735241 /nfs/dbraw/zinc/73/52/41/491735241.db2.gz GXHPLEPRDIFJLX-YKXHTNLXSA-N 1 3 369.550 0.814 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589219130 491757333 /nfs/dbraw/zinc/75/73/33/491757333.db2.gz BRYBOQRYNJHHQT-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000581502682 491775657 /nfs/dbraw/zinc/77/56/57/491775657.db2.gz AQSYZDXTMYDJSJ-HNNXBMFYSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000581502682 491775659 /nfs/dbraw/zinc/77/56/59/491775659.db2.gz AQSYZDXTMYDJSJ-HNNXBMFYSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000581548345 491777260 /nfs/dbraw/zinc/77/72/60/491777260.db2.gz DNLKSHXWQBOGMF-ZIAGYGMSSA-N 1 3 350.463 0.485 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000590817512 491787478 /nfs/dbraw/zinc/78/74/78/491787478.db2.gz RGCUDXQUEZEENN-UHFFFAOYSA-N 1 3 370.519 0.502 20 0 FCADHO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(Nc4ccncc4)cc3)CCN2C1=O ZINC000582555953 491817586 /nfs/dbraw/zinc/81/75/86/491817586.db2.gz AAAFHIQYVMDQKT-IRXDYDNUSA-N 1 3 351.410 0.631 20 0 FCADHO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(Nc4ccncc4)cc3)CCN2C1=O ZINC000582555954 491817641 /nfs/dbraw/zinc/81/76/41/491817641.db2.gz AAAFHIQYVMDQKT-SJORKVTESA-N 1 3 351.410 0.631 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582668814 491821825 /nfs/dbraw/zinc/82/18/25/491821825.db2.gz MFMRLMFENJMCCJ-WTTBNOFXSA-N 1 3 363.506 0.606 20 0 FCADHO CN(CCN1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)Cc1ccccc1 ZINC000583802392 491852139 /nfs/dbraw/zinc/85/21/39/491852139.db2.gz ZXOZMUOWLDZQSK-BWTSREIZSA-N 1 3 357.502 0.663 20 0 FCADHO C[C@@H](CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008468 491856561 /nfs/dbraw/zinc/85/65/61/491856561.db2.gz SRWKCQWRFQMCQY-YJBOKZPZSA-N 1 3 370.563 0.921 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@H]1[NH3+] ZINC000584226605 491860982 /nfs/dbraw/zinc/86/09/82/491860982.db2.gz CHUWXHHXDCDIIL-DZJNRPSUSA-N 1 3 356.470 0.525 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CN1C1CC1 ZINC000611638351 491864484 /nfs/dbraw/zinc/86/44/84/491864484.db2.gz SKRCDUDSNNNULR-UNEWFSDZSA-N 1 3 364.490 0.097 20 0 FCADHO CCN1CCN(c2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594885713 491871383 /nfs/dbraw/zinc/87/13/83/491871383.db2.gz DHCCJRXMAGNCRF-ROUUACIJSA-N 1 3 371.485 0.213 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000600997500 491892343 /nfs/dbraw/zinc/89/23/43/491892343.db2.gz DCSXTTYNPWDLHV-UHFFFAOYSA-N 1 3 365.478 0.450 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546879 491932563 /nfs/dbraw/zinc/93/25/63/491932563.db2.gz WUSSXBXNQHRLNQ-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546880 491932756 /nfs/dbraw/zinc/93/27/56/491932756.db2.gz WUSSXBXNQHRLNQ-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612598760 491937663 /nfs/dbraw/zinc/93/76/63/491937663.db2.gz IYOOSHXBEFOMOT-DLBZAZTESA-N 1 3 366.506 0.345 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599629 491937939 /nfs/dbraw/zinc/93/79/39/491937939.db2.gz ZQSMTANEXCCTSS-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599629 491937941 /nfs/dbraw/zinc/93/79/41/491937941.db2.gz ZQSMTANEXCCTSS-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612602104 491938387 /nfs/dbraw/zinc/93/83/87/491938387.db2.gz VUDOICBNYNERAY-KRWDZBQOSA-N 1 3 368.522 0.402 20 0 FCADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916381 491958695 /nfs/dbraw/zinc/95/86/95/491958695.db2.gz PHRJELISBDALCE-CABCVRRESA-N 1 3 361.494 0.318 20 0 FCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CCSCC3)C2)CC1 ZINC000604200051 492054586 /nfs/dbraw/zinc/05/45/86/492054586.db2.gz XGDWXLWINWUNSE-OAHLLOKOSA-N 1 3 355.552 0.503 20 0 FCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CCSCC3)C2)CC1 ZINC000604200051 492054589 /nfs/dbraw/zinc/05/45/89/492054589.db2.gz XGDWXLWINWUNSE-OAHLLOKOSA-N 1 3 355.552 0.503 20 0 FCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCN3CCSCC3)C2)CC1 ZINC000604200051 492054592 /nfs/dbraw/zinc/05/45/92/492054592.db2.gz XGDWXLWINWUNSE-OAHLLOKOSA-N 1 3 355.552 0.503 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@@H]3CCCN(C)C3)CC2)CC1 ZINC000604388472 492059807 /nfs/dbraw/zinc/05/98/07/492059807.db2.gz FAWAQOLEOBHRNC-LJQANCHMSA-N 1 3 365.566 0.687 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC(N3CCOC[C@@H]3C)CC2)CC1 ZINC000615089650 492071993 /nfs/dbraw/zinc/07/19/93/492071993.db2.gz LYDHMPRQVYOMFC-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO CC[NH+]1CCN(CCC(=O)N2CCC(N3CCOC[C@@H]3C)CC2)CC1 ZINC000615089650 492071994 /nfs/dbraw/zinc/07/19/94/492071994.db2.gz LYDHMPRQVYOMFC-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000605879553 492104557 /nfs/dbraw/zinc/10/45/57/492104557.db2.gz LDWCZHKLHFNVRK-CVEARBPZSA-N 1 3 351.495 0.357 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000605879553 492104560 /nfs/dbraw/zinc/10/45/60/492104560.db2.gz LDWCZHKLHFNVRK-CVEARBPZSA-N 1 3 351.495 0.357 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250022 492148923 /nfs/dbraw/zinc/14/89/23/492148923.db2.gz HWKHQYOEMXAURV-MRXNPFEDSA-N 1 3 365.478 0.544 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250022 492148924 /nfs/dbraw/zinc/14/89/24/492148924.db2.gz HWKHQYOEMXAURV-MRXNPFEDSA-N 1 3 365.478 0.544 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000618308742 492222634 /nfs/dbraw/zinc/22/26/34/492222634.db2.gz UJLQECGZVOIQJA-MRXNPFEDSA-N 1 3 370.563 0.682 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCC(=O)NC(N)=O)CC1 ZINC000610013073 492231554 /nfs/dbraw/zinc/23/15/54/492231554.db2.gz UMXWZPZSCAUKDN-UHFFFAOYSA-N 1 3 355.483 0.132 20 0 FCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552650 492303801 /nfs/dbraw/zinc/30/38/01/492303801.db2.gz OPORLZAZMMLITI-MSOLQXFVSA-N 1 3 358.486 0.822 20 0 FCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1 ZINC000647552650 492303804 /nfs/dbraw/zinc/30/38/04/492303804.db2.gz OPORLZAZMMLITI-MSOLQXFVSA-N 1 3 358.486 0.822 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330387 492351701 /nfs/dbraw/zinc/35/17/01/492351701.db2.gz DAIVEZAVQHSNJQ-NPJQDHAYSA-N 1 3 354.495 0.044 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000642439386 492357950 /nfs/dbraw/zinc/35/79/50/492357950.db2.gz DMLMOBHHMMYBMB-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642495872 492359846 /nfs/dbraw/zinc/35/98/46/492359846.db2.gz ZCHUBKAVBNGFDG-KBAYOESNSA-N 1 3 358.486 0.834 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642645036 492370220 /nfs/dbraw/zinc/37/02/20/492370220.db2.gz GCSAADZBWIDGIJ-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000642733047 492382951 /nfs/dbraw/zinc/38/29/51/492382951.db2.gz TTYPVGDNZMHVOT-YJBOKZPZSA-N 1 3 374.485 0.126 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000642733851 492383187 /nfs/dbraw/zinc/38/31/87/492383187.db2.gz VAVQVBDODNHUEB-JQHSSLGASA-N 1 3 374.485 0.514 20 0 FCADHO CN(CCCNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000647977764 492390007 /nfs/dbraw/zinc/39/00/07/492390007.db2.gz HFUZVWHXIJKPAV-JKSUJKDBSA-N 1 3 374.551 0.096 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000655038962 492394834 /nfs/dbraw/zinc/39/48/34/492394834.db2.gz STIVGYHDPPUXJN-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@](C)(C(N)=O)C3)CC2)CC1 ZINC000655045657 492395564 /nfs/dbraw/zinc/39/55/64/492395564.db2.gz NEGOITXQBPRXRJ-LJQANCHMSA-N 1 3 350.507 0.907 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642801822 492396082 /nfs/dbraw/zinc/39/60/82/492396082.db2.gz KPAVGCJTSCSSGH-PKOBYXMFSA-N 1 3 370.497 0.978 20 0 FCADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)C1 ZINC000642889231 492397228 /nfs/dbraw/zinc/39/72/28/492397228.db2.gz DDOURNSGZDWVSF-MRXNPFEDSA-N 1 3 365.522 0.003 20 0 FCADHO O=C([C@H]1CNCCOC1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119102 492402222 /nfs/dbraw/zinc/40/22/22/492402222.db2.gz OMXPOFITFKUIJE-KBPBESRZSA-N 1 3 350.488 0.850 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918568 492403865 /nfs/dbraw/zinc/40/38/65/492403865.db2.gz YSEOYPCDHNMCFZ-UHFFFAOYSA-N 1 3 368.428 0.723 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958473 492406902 /nfs/dbraw/zinc/40/69/02/492406902.db2.gz AJJZJGUHOZZFOA-HOCLYGCPSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958473 492406904 /nfs/dbraw/zinc/40/69/04/492406904.db2.gz AJJZJGUHOZZFOA-HOCLYGCPSA-N 1 3 366.506 0.693 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCNCC1 ZINC000648143669 492407032 /nfs/dbraw/zinc/40/70/32/492407032.db2.gz XONRHLWSIUXJGI-CABCVRRESA-N 1 3 357.520 0.391 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642979906 492409577 /nfs/dbraw/zinc/40/95/77/492409577.db2.gz OOQRSAQGYPLXKR-ROUUACIJSA-N 1 3 358.486 0.978 20 0 FCADHO O=C([C@H]1CNCCOC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000648179139 492412905 /nfs/dbraw/zinc/41/29/05/492412905.db2.gz GERDGAOMQKQYNC-INIZCTEOSA-N 1 3 361.490 0.819 20 0 FCADHO COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642991946 492413161 /nfs/dbraw/zinc/41/31/61/492413161.db2.gz CFSCTDQCTCWOAB-QGZVFWFLSA-N 1 3 362.474 0.072 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N(C)Cc1ccccc1 ZINC000621839506 492422597 /nfs/dbraw/zinc/42/25/97/492422597.db2.gz UHTUNBNNRMMVBM-WRWLIDTKSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843271 492424689 /nfs/dbraw/zinc/42/46/89/492424689.db2.gz BRVRCPBGAXHRLV-LAUBAEHRSA-N 1 3 370.497 0.542 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843272 492424699 /nfs/dbraw/zinc/42/46/99/492424699.db2.gz BRVRCPBGAXHRLV-UTKZUKDTSA-N 1 3 370.497 0.542 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622014184 492440421 /nfs/dbraw/zinc/44/04/21/492440421.db2.gz ASDZHOHCYARHHN-GDBMZVCRSA-N 1 3 355.508 0.563 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000643489792 492479770 /nfs/dbraw/zinc/47/97/70/492479770.db2.gz PZBGORSOLYJHJZ-ULQDDVLXSA-N 1 3 350.507 0.635 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643490262 492479894 /nfs/dbraw/zinc/47/98/94/492479894.db2.gz IYZQEXLHRCDJDN-JKSUJKDBSA-N 1 3 356.511 0.387 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)o1 ZINC000643494314 492481396 /nfs/dbraw/zinc/48/13/96/492481396.db2.gz QHFYMPOZKZUUSF-RDJZCZTQSA-N 1 3 362.474 0.689 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000643503627 492483479 /nfs/dbraw/zinc/48/34/79/492483479.db2.gz OLBMYNUTZXXUNJ-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CC[C@H]1CN(C(=O)C(=O)N(CCOC)CCN(CC)CC)CC[C@@H]1[NH3+] ZINC000643511216 492485296 /nfs/dbraw/zinc/48/52/96/492485296.db2.gz SNACTVPLZIVBFI-HOTGVXAUSA-N 1 3 356.511 0.389 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643524407 492490173 /nfs/dbraw/zinc/49/01/73/492490173.db2.gz WJQCYCKAZYXXSK-GOEBONIOSA-N 1 3 364.515 0.849 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531824 492491359 /nfs/dbraw/zinc/49/13/59/492491359.db2.gz OQYXWPCJNYVKRG-QZTJIDSGSA-N 1 3 358.486 0.930 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)cc2C1 ZINC000655958935 492498025 /nfs/dbraw/zinc/49/80/25/492498025.db2.gz PMSHWKIRQNGQDA-ZTFGCOKTSA-N 1 3 371.485 0.969 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000643564582 492499345 /nfs/dbraw/zinc/49/93/45/492499345.db2.gz WHBRPCXGQVRQCW-IBGZPJMESA-N 1 3 350.507 0.779 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643586155 492500950 /nfs/dbraw/zinc/50/09/50/492500950.db2.gz YASHMLAAGAFITC-NJAFHUGGSA-N 1 3 358.486 0.915 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347179 492542316 /nfs/dbraw/zinc/54/23/16/492542316.db2.gz JHGGPLNQXHGRBX-ZIAGYGMSSA-N 1 3 356.430 0.782 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347304 492542689 /nfs/dbraw/zinc/54/26/89/492542689.db2.gz PIYXTYDHFGYBDS-HUUCEWRRSA-N 1 3 370.457 1.000 20 0 FCADHO CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1C[C@H]1CCCN1C ZINC000649564816 492562935 /nfs/dbraw/zinc/56/29/35/492562935.db2.gz YOOGZMCEMDGLFX-KURKYZTESA-N 1 3 351.539 0.249 20 0 FCADHO CN(C)C(=O)[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CCN1C[C@H]1CCCN1C ZINC000649564816 492562939 /nfs/dbraw/zinc/56/29/39/492562939.db2.gz YOOGZMCEMDGLFX-KURKYZTESA-N 1 3 351.539 0.249 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656294490 492573597 /nfs/dbraw/zinc/57/35/97/492573597.db2.gz AZMGMEIJWUQEGF-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656294490 492573600 /nfs/dbraw/zinc/57/36/00/492573600.db2.gz AZMGMEIJWUQEGF-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656320899 492591525 /nfs/dbraw/zinc/59/15/25/492591525.db2.gz XCMYJMUQXZTFAM-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656320899 492591528 /nfs/dbraw/zinc/59/15/28/492591528.db2.gz XCMYJMUQXZTFAM-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656336897 492600508 /nfs/dbraw/zinc/60/05/08/492600508.db2.gz DLHMDGCBHUHFGU-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656336897 492600511 /nfs/dbraw/zinc/60/05/11/492600511.db2.gz DLHMDGCBHUHFGU-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000629792625 492673640 /nfs/dbraw/zinc/67/36/40/492673640.db2.gz WAKKIBKYDLFXKL-QGZVFWFLSA-N 1 3 361.490 0.702 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624787023 492684037 /nfs/dbraw/zinc/68/40/37/492684037.db2.gz OLALZXBITBMCMD-GDBMZVCRSA-N 1 3 351.495 0.765 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624787023 492684041 /nfs/dbraw/zinc/68/40/41/492684041.db2.gz OLALZXBITBMCMD-GDBMZVCRSA-N 1 3 351.495 0.765 20 0 FCADHO CC(C)CN1CCO[C@@H](Cn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630588244 492754605 /nfs/dbraw/zinc/75/46/05/492754605.db2.gz BIGKZTQYNOGGNI-GOSISDBHSA-N 1 3 350.511 0.601 20 0 FCADHO C[NH+](C)CCOc1ccccc1CNCC1(O)CCS(=O)(=O)CC1 ZINC000644531906 492782658 /nfs/dbraw/zinc/78/26/58/492782658.db2.gz BNSGNWIKFYJHOA-UHFFFAOYSA-N 1 3 356.488 0.656 20 0 FCADHO COCCC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000625465628 492789597 /nfs/dbraw/zinc/78/95/97/492789597.db2.gz JVFVMRZYRAGXBF-UHFFFAOYSA-N 1 3 356.511 0.213 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870264 492806187 /nfs/dbraw/zinc/80/61/87/492806187.db2.gz ISFFUYMQVXMNDY-MRXNPFEDSA-N 1 3 359.474 0.530 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870264 492806191 /nfs/dbraw/zinc/80/61/91/492806191.db2.gz ISFFUYMQVXMNDY-MRXNPFEDSA-N 1 3 359.474 0.530 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657873186 492807433 /nfs/dbraw/zinc/80/74/33/492807433.db2.gz GZSBQCXDHUHRHU-MRXNPFEDSA-N 1 3 359.474 0.530 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000657873186 492807437 /nfs/dbraw/zinc/80/74/37/492807437.db2.gz GZSBQCXDHUHRHU-MRXNPFEDSA-N 1 3 359.474 0.530 20 0 FCADHO c1nc2n(n1)[C@@H](CN1CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830217 492858786 /nfs/dbraw/zinc/85/87/86/492858786.db2.gz MMHNHONSLNUFTE-LSDHHAIUSA-N 1 3 356.478 0.778 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000631857019 492864733 /nfs/dbraw/zinc/86/47/33/492864733.db2.gz CJKQIECRYXFMQW-IAGOWNOFSA-N 1 3 360.568 0.758 20 0 FCADHO Cc1c(C(=O)N2CCN(c3ccncc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000645221291 492879626 /nfs/dbraw/zinc/87/96/26/492879626.db2.gz LSAVJYHLFZGCPW-UHFFFAOYSA-N 1 3 355.446 0.868 20 0 FCADHO CN1CCN(CCCS(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000631922700 492886161 /nfs/dbraw/zinc/88/61/61/492886161.db2.gz CLNKQXBEGXXFJP-KRWDZBQOSA-N 1 3 358.552 0.514 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000631928155 492889217 /nfs/dbraw/zinc/88/92/17/492889217.db2.gz ROIUNSKSPGSYOH-RHSMWYFYSA-N 1 3 356.536 0.864 20 0 FCADHO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCCN3CCCC3)CC2)C1 ZINC000631975481 492902349 /nfs/dbraw/zinc/90/23/49/492902349.db2.gz GJIDZUGOJVMKRB-KRWDZBQOSA-N 1 3 358.552 0.514 20 0 FCADHO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)CCCN3CCCC3)CC2)C1 ZINC000631975481 492902353 /nfs/dbraw/zinc/90/23/53/492902353.db2.gz GJIDZUGOJVMKRB-KRWDZBQOSA-N 1 3 358.552 0.514 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348167 492913308 /nfs/dbraw/zinc/91/33/08/492913308.db2.gz WGJJZDMOODWHLC-XAJHFOFHSA-N 1 3 366.506 0.317 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638134720 492913766 /nfs/dbraw/zinc/91/37/66/492913766.db2.gz OFJFHCKZBFJVLI-YUSALJHKSA-N 1 3 354.405 0.963 20 0 FCADHO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CCN ZINC000652355149 492915124 /nfs/dbraw/zinc/91/51/24/492915124.db2.gz QEAGJTZFWFBZAV-IAGOWNOFSA-N 1 3 360.506 0.965 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CCN ZINC000652355149 492915127 /nfs/dbraw/zinc/91/51/27/492915127.db2.gz QEAGJTZFWFBZAV-IAGOWNOFSA-N 1 3 360.506 0.965 20 0 FCADHO C[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CC[NH3+] ZINC000652355149 492915132 /nfs/dbraw/zinc/91/51/32/492915132.db2.gz QEAGJTZFWFBZAV-IAGOWNOFSA-N 1 3 360.506 0.965 20 0 FCADHO CCN1CCN(C[C@H](C)CNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632032069 492915581 /nfs/dbraw/zinc/91/55/81/492915581.db2.gz SAIHUQRIFIRTNO-QGZVFWFLSA-N 1 3 360.568 0.665 20 0 FCADHO CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652360471 492916064 /nfs/dbraw/zinc/91/60/64/492916064.db2.gz IXKGODCUJAVFMO-BRWVUGGUSA-N 1 3 352.479 0.038 20 0 FCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000638141428 492916793 /nfs/dbraw/zinc/91/67/93/492916793.db2.gz UHTMOJIPFZJGTQ-PKOBYXMFSA-N 1 3 361.490 0.477 20 0 FCADHO [NH3+]C1(CC(=O)N2CC[C@@H]3OCCN[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000638226406 492924134 /nfs/dbraw/zinc/92/41/34/492924134.db2.gz ILFVTSKRWLYGSL-MOPGFXCFSA-N 1 3 372.513 0.959 20 0 FCADHO COc1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000658534807 492935020 /nfs/dbraw/zinc/93/50/20/492935020.db2.gz DAKOMHSWYOQAQR-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000652679754 492987134 /nfs/dbraw/zinc/98/71/34/492987134.db2.gz MQEHJIHPBCSPIB-JYJNAYRXSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(F)c1F ZINC000632487567 493008082 /nfs/dbraw/zinc/00/80/82/493008082.db2.gz ODNKRPPVXKHTOW-UHFFFAOYSA-N 1 3 356.417 0.533 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652731003 493009471 /nfs/dbraw/zinc/00/94/71/493009471.db2.gz YWIMYFPCWXJXCT-YQQAZPJKSA-N 1 3 366.506 0.284 20 0 FCADHO C[NH+](C)CC[C@H](N)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000653124597 493075407 /nfs/dbraw/zinc/07/54/07/493075407.db2.gz BMHDVXDKSDALQZ-IBGZPJMESA-N 1 3 361.534 0.590 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653125311 493076428 /nfs/dbraw/zinc/07/64/28/493076428.db2.gz WABALHHKDBQEDA-ICSRJNTNSA-N 1 3 358.486 0.286 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000626994810 493077074 /nfs/dbraw/zinc/07/70/74/493077074.db2.gz JJWTWBVEZFNYOC-UHFFFAOYSA-N 1 3 364.490 0.760 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000646666683 493081612 /nfs/dbraw/zinc/08/16/12/493081612.db2.gz WZJCPFDQTSSPIF-ZWKOTPCHSA-N 1 3 373.501 0.607 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCC[C@H]1CN1CCCCC1 ZINC000627228180 493111743 /nfs/dbraw/zinc/11/17/43/493111743.db2.gz HZXNKAZRJWDNOR-SJORKVTESA-N 1 3 361.494 0.972 20 0 FCADHO O=C(C(=O)N1CCCN(CCCc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633084587 493118541 /nfs/dbraw/zinc/11/85/41/493118541.db2.gz NECKQWPYRISYJU-OALUTQOASA-N 1 3 370.497 0.726 20 0 FCADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633101285 493125238 /nfs/dbraw/zinc/12/52/38/493125238.db2.gz MXDSWPYGMLUDJK-WMZOPIPTSA-N 1 3 371.485 0.719 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627295312 493138156 /nfs/dbraw/zinc/13/81/56/493138156.db2.gz ZWFPPLHVOGWLNB-RWMBFGLXSA-N 1 3 366.428 0.819 20 0 FCADHO CCCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCN(C)C1 ZINC000646980799 493139649 /nfs/dbraw/zinc/13/96/49/493139649.db2.gz XZPRAZIYYXPFHT-QGZVFWFLSA-N 1 3 367.538 0.071 20 0 FCADHO CCCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CCN(C)C1 ZINC000646984127 493141808 /nfs/dbraw/zinc/14/18/08/493141808.db2.gz IKHUMLKOVJQBCZ-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627318786 493150399 /nfs/dbraw/zinc/15/03/99/493150399.db2.gz AGLBDWDIYBLTRP-ZYHUDNBSSA-N 1 3 350.385 0.183 20 0 FCADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006187 493161561 /nfs/dbraw/zinc/16/15/61/493161561.db2.gz XQWPWHPCEOSUSA-WBVHZDCISA-N 1 3 372.473 0.705 20 0 FCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659434315 493176008 /nfs/dbraw/zinc/17/60/08/493176008.db2.gz LCXCNWTXXIFBAL-CHWSQXEVSA-N 1 3 350.467 0.808 20 0 FCADHO [NH3+]Cc1cnn(Cc2cn(C[C@@]3(O)CCN(Cc4ccccc4)C3)nn2)c1 ZINC000641228846 493184784 /nfs/dbraw/zinc/18/47/84/493184784.db2.gz FDWVSUVGRFYIEG-LJQANCHMSA-N 1 3 367.457 0.619 20 0 FCADHO COCC[NH2+]CCc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641229985 493185264 /nfs/dbraw/zinc/18/52/64/493185264.db2.gz NXFYTRHIIMVCBJ-LJQANCHMSA-N 1 3 359.474 0.694 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264820 493186956 /nfs/dbraw/zinc/18/69/56/493186956.db2.gz UCUDGAWHBJNROT-GJZGRUSLSA-N 1 3 355.508 0.434 20 0 FCADHO CC[C@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC[C@@H]1[NH3+] ZINC000647270482 493188485 /nfs/dbraw/zinc/18/84/85/493188485.db2.gz ZXDVMVZKYLWYQW-GJZGRUSLSA-N 1 3 357.524 0.809 20 0 FCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000647293004 493190692 /nfs/dbraw/zinc/19/06/92/493190692.db2.gz PEICKMLGLSIDSX-KBPBESRZSA-N 1 3 361.487 0.382 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627389801 493197080 /nfs/dbraw/zinc/19/70/80/493197080.db2.gz QNQFFYGHWVBWCD-NEPJUHHUSA-N 1 3 352.401 0.430 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627392651 493199847 /nfs/dbraw/zinc/19/98/47/493199847.db2.gz BCJYJSAJGJJKSJ-OLZOCXBDSA-N 1 3 366.428 0.820 20 0 FCADHO CCCN1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538764 493208747 /nfs/dbraw/zinc/20/87/47/493208747.db2.gz LYRZYPVIQWJVQQ-STQMWFEESA-N 1 3 351.417 0.606 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548968 493211013 /nfs/dbraw/zinc/21/10/13/493211013.db2.gz JPUHURGGTWNFJT-ROUUACIJSA-N 1 3 362.474 0.431 20 0 FCADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000681765315 493215462 /nfs/dbraw/zinc/21/54/62/493215462.db2.gz NRTOXEUOYZVRKT-CTNGQTDRSA-N 1 3 372.513 0.472 20 0 FCADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000681765315 493215466 /nfs/dbraw/zinc/21/54/66/493215466.db2.gz NRTOXEUOYZVRKT-CTNGQTDRSA-N 1 3 372.513 0.472 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000672639959 493225000 /nfs/dbraw/zinc/22/50/00/493225000.db2.gz PTDCSCVQAHWZDM-MRXNPFEDSA-N 1 3 367.538 0.119 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000666796337 493227790 /nfs/dbraw/zinc/22/77/90/493227790.db2.gz YQWIVNNVFOWHNO-SFHVURJKSA-N 1 3 373.501 0.583 20 0 FCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000672693432 493233927 /nfs/dbraw/zinc/23/39/27/493233927.db2.gz WKKFGYWFOJYYFL-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000672695786 493234445 /nfs/dbraw/zinc/23/44/45/493234445.db2.gz HWZKCADPQCKZQN-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000672695786 493234446 /nfs/dbraw/zinc/23/44/46/493234446.db2.gz HWZKCADPQCKZQN-IAGOWNOFSA-N 1 3 368.522 0.594 20 0 FCADHO CC(C)c1cc(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)on1 ZINC000672736285 493243020 /nfs/dbraw/zinc/24/30/20/493243020.db2.gz CZSHNZFHJHLUMP-UHFFFAOYSA-N 1 3 353.467 0.366 20 0 FCADHO CC(C)c1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000672736285 493243023 /nfs/dbraw/zinc/24/30/23/493243023.db2.gz CZSHNZFHJHLUMP-UHFFFAOYSA-N 1 3 353.467 0.366 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](CN)C1 ZINC000659679611 493248254 /nfs/dbraw/zinc/24/82/54/493248254.db2.gz MARZZUGGCLKTGV-XLNGHYISSA-N 1 3 366.506 0.066 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCCC1 ZINC000659710001 493267049 /nfs/dbraw/zinc/26/70/49/493267049.db2.gz NWIXKCIOHIDDID-OAHLLOKOSA-N 1 3 352.479 0.134 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659712069 493267879 /nfs/dbraw/zinc/26/78/79/493267879.db2.gz CRJXEPZCPZRRPW-GOSISDBHSA-N 1 3 373.501 0.668 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720158 493271120 /nfs/dbraw/zinc/27/11/20/493271120.db2.gz ATBIKCQPYIJKGR-QAPCUYQASA-N 1 3 373.501 0.667 20 0 FCADHO C[C@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C1CC[NH+](C)CC1 ZINC000682193436 493276912 /nfs/dbraw/zinc/27/69/12/493276912.db2.gz UKPXRJCJZMWHKG-ZDUSSCGKSA-N 1 3 350.467 0.230 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659738449 493280013 /nfs/dbraw/zinc/28/00/13/493280013.db2.gz DUMYRVYEOXLAGP-YVSFHVDLSA-N 1 3 366.506 0.332 20 0 FCADHO CSc1ccncc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000682222188 493280101 /nfs/dbraw/zinc/28/01/01/493280101.db2.gz IFNGZDGRVCSAMR-UHFFFAOYSA-N 1 3 353.492 0.694 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H]1CN ZINC000659757422 493287152 /nfs/dbraw/zinc/28/71/52/493287152.db2.gz YDHDHFJDNVJPHA-PBHICJAKSA-N 1 3 350.507 0.810 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3nnn(C(C)(C)C)n3)CC2)CC1 ZINC000667641724 493294612 /nfs/dbraw/zinc/29/46/12/493294612.db2.gz BGDGTENTTTYNJB-UHFFFAOYSA-N 1 3 363.510 0.645 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795588 493302647 /nfs/dbraw/zinc/30/26/47/493302647.db2.gz HXVDDVADDAYOCO-KRWDZBQOSA-N 1 3 374.489 0.792 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000673427650 493327365 /nfs/dbraw/zinc/32/73/65/493327365.db2.gz CCLWRANVXGPKHV-IAGOWNOFSA-N 1 3 368.522 0.593 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000668302259 493329375 /nfs/dbraw/zinc/32/93/75/493329375.db2.gz CITCCBDTUUMTHO-UONOGXRCSA-N 1 3 369.428 0.922 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000668789358 493411046 /nfs/dbraw/zinc/41/10/46/493411046.db2.gz UKZQQEPQBFQXGR-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000668827637 493416703 /nfs/dbraw/zinc/41/67/03/493416703.db2.gz KTCFNFZBEIIUHW-INIZCTEOSA-N 1 3 366.506 0.348 20 0 FCADHO C[C@H](CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661598077 493449960 /nfs/dbraw/zinc/44/99/60/493449960.db2.gz ODGPNRUCBLKULX-DZVNLGKHSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@H](CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661598077 493449962 /nfs/dbraw/zinc/44/99/62/493449962.db2.gz ODGPNRUCBLKULX-DZVNLGKHSA-N 1 3 362.518 0.966 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000669027641 493453473 /nfs/dbraw/zinc/45/34/73/493453473.db2.gz QAHFDVAHMWKJLX-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669444091 493504506 /nfs/dbraw/zinc/50/45/06/493504506.db2.gz YOIJXFYDSFVNSS-XHSDSOJGSA-N 1 3 351.495 0.323 20 0 FCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662296818 493504909 /nfs/dbraw/zinc/50/49/09/493504909.db2.gz NMRZZZPUTHEVDG-ROUUACIJSA-N 1 3 350.507 0.825 20 0 FCADHO COC1CC[NH+](C2(CNC(=O)N3CCN(C)C[C@H]3CN)CCCC2)CC1 ZINC000669469686 493505186 /nfs/dbraw/zinc/50/51/86/493505186.db2.gz XHFQXHMMCNZHTB-MRXNPFEDSA-N 1 3 367.538 0.694 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662446238 493515827 /nfs/dbraw/zinc/51/58/27/493515827.db2.gz ZHTCGADSLLYIQY-CQSZACIVSA-N 1 3 362.478 0.113 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676166729 493528411 /nfs/dbraw/zinc/52/84/11/493528411.db2.gz DKLNSNRPTWCNPB-ROUUACIJSA-N 1 3 368.522 0.774 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757713 493539371 /nfs/dbraw/zinc/53/93/71/493539371.db2.gz LRHNOMNDGGXYLU-JKSUJKDBSA-N 1 3 363.510 0.349 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757735 493539453 /nfs/dbraw/zinc/53/94/53/493539453.db2.gz LZPQDPYRTXQDCY-MOPGFXCFSA-N 1 3 360.502 0.804 20 0 FCADHO Cc1c(C(=O)Nc2cnccc2N2CCN(C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662758406 493540008 /nfs/dbraw/zinc/54/00/08/493540008.db2.gz RPMWLRCXIGHYAW-AWEZNQCLSA-N 1 3 370.461 0.520 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662857365 493547217 /nfs/dbraw/zinc/54/72/17/493547217.db2.gz AMNHZTOBGLQKMG-DLBZAZTESA-N 1 3 369.469 0.983 20 0 FCADHO CCN1CCC[C@H](CN(C)C(=O)[C@@H]2C[NH2+]CCOC2)[C@H]1c1cnn(C)c1 ZINC000662863522 493548065 /nfs/dbraw/zinc/54/80/65/493548065.db2.gz HMIRUJTUUNPRRF-NXHRZFHOSA-N 1 3 363.506 0.888 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927813 493554788 /nfs/dbraw/zinc/55/47/88/493554788.db2.gz GCMAPWWUPNGQQA-IRXDYDNUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662927814 493555140 /nfs/dbraw/zinc/55/51/40/493555140.db2.gz GCMAPWWUPNGQQA-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662946843 493559261 /nfs/dbraw/zinc/55/92/61/493559261.db2.gz DEENMCNPEMHWPG-RBUKOAKNSA-N 1 3 372.513 0.972 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662957917 493561022 /nfs/dbraw/zinc/56/10/22/493561022.db2.gz OYLXCGRIPDLWIF-NZSAHSFTSA-N 1 3 372.513 0.958 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000662966012 493562042 /nfs/dbraw/zinc/56/20/42/493562042.db2.gz DZOGDXGSYPOKMY-GOSISDBHSA-N 1 3 358.486 0.712 20 0 FCADHO CS(=O)(=O)C1(C(=O)NCC2CCN(CC3CC3)CC2)CC[NH2+]CC1 ZINC000662971025 493562585 /nfs/dbraw/zinc/56/25/85/493562585.db2.gz ATGHNVIIQGYVDQ-UHFFFAOYSA-N 1 3 357.520 0.391 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@H](CN)C1 ZINC000662982738 493564115 /nfs/dbraw/zinc/56/41/15/493564115.db2.gz FGVJVMVLTCWXGA-CVEARBPZSA-N 1 3 368.522 0.532 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000662984439 493564132 /nfs/dbraw/zinc/56/41/32/493564132.db2.gz RHKPULKWWDJEDY-OIISXLGYSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000662984439 493564133 /nfs/dbraw/zinc/56/41/33/493564133.db2.gz RHKPULKWWDJEDY-OIISXLGYSA-N 1 3 350.507 0.763 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000670545296 493579153 /nfs/dbraw/zinc/57/91/53/493579153.db2.gz ITJRGESBUORQCE-UHFFFAOYSA-N 1 3 359.474 0.719 20 0 FCADHO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000670708825 493589636 /nfs/dbraw/zinc/58/96/36/493589636.db2.gz DYFUGWPRGHMEHM-UHFFFAOYSA-N 1 3 359.474 0.722 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663615534 493604326 /nfs/dbraw/zinc/60/43/26/493604326.db2.gz KPLXHBUHKCSSKA-FQEVSTJZSA-N 1 3 373.501 0.631 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790387 493618155 /nfs/dbraw/zinc/61/81/55/493618155.db2.gz ALORDRQCKKPINV-CVEARBPZSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790387 493618158 /nfs/dbraw/zinc/61/81/58/493618158.db2.gz ALORDRQCKKPINV-CVEARBPZSA-N 1 3 355.527 0.768 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105113 493634974 /nfs/dbraw/zinc/63/49/74/493634974.db2.gz HVGXZIQBWCDPPK-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105113 493634975 /nfs/dbraw/zinc/63/49/75/493634975.db2.gz HVGXZIQBWCDPPK-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000671376399 493662194 /nfs/dbraw/zinc/66/21/94/493662194.db2.gz ULILFVWGWRBUIO-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000664538916 493666420 /nfs/dbraw/zinc/66/64/20/493666420.db2.gz JLIMADQQHKESQP-SFHVURJKSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000672010708 493724181 /nfs/dbraw/zinc/72/41/81/493724181.db2.gz OQYNHKVJDJZZPI-OAHLLOKOSA-N 1 3 359.474 0.577 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672204274 493742287 /nfs/dbraw/zinc/74/22/87/493742287.db2.gz SBOFJEQMTBSHNP-KRWDZBQOSA-N 1 3 359.474 0.721 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672308853 493753704 /nfs/dbraw/zinc/75/37/04/493753704.db2.gz AETHCCSBJNJCOA-INIZCTEOSA-N 1 3 366.506 0.156 20 0 FCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666151176 493760516 /nfs/dbraw/zinc/76/05/16/493760516.db2.gz FHCRIDGCVSXRCG-IBGZPJMESA-N 1 3 363.506 0.905 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000410474958 534019054 /nfs/dbraw/zinc/01/90/54/534019054.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000410474958 534019065 /nfs/dbraw/zinc/01/90/65/534019065.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000410474958 534019076 /nfs/dbraw/zinc/01/90/76/534019076.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000247179580 534076668 /nfs/dbraw/zinc/07/66/68/534076668.db2.gz BHJVLWLNBCEWLJ-RDJZCZTQSA-N 1 3 363.506 0.940 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419455606 536497984 /nfs/dbraw/zinc/49/79/84/536497984.db2.gz XLFWBKYOHYIDJI-DLBZAZTESA-N 1 3 362.474 0.024 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000410430693 527730644 /nfs/dbraw/zinc/73/06/44/527730644.db2.gz FXJRPSDZYUOQRA-KRWDZBQOSA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000162834290 527938879 /nfs/dbraw/zinc/93/88/79/527938879.db2.gz SMUBRPDKZSMZRV-UHFFFAOYSA-N 1 3 352.483 0.429 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000419705452 535071011 /nfs/dbraw/zinc/07/10/11/535071011.db2.gz ZPLCBLCKADAGOE-HZMVEIRTSA-N 1 3 350.507 0.809 20 0 FCADHO CCCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C1CC[NH2+]CC1 ZINC000419577465 535191270 /nfs/dbraw/zinc/19/12/70/535191270.db2.gz DIULAJZSXYEMHX-KRWDZBQOSA-N 1 3 356.536 0.531 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419282718 535218867 /nfs/dbraw/zinc/21/88/67/535218867.db2.gz IOSHZBXLEJKFIM-SJORKVTESA-N 1 3 368.522 0.579 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000419947321 535305022 /nfs/dbraw/zinc/30/50/22/535305022.db2.gz CHODEGNPHGXNKN-MRXNPFEDSA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419587878 535501259 /nfs/dbraw/zinc/50/12/59/535501259.db2.gz NWUGHCMWPULJHW-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419577968 535502618 /nfs/dbraw/zinc/50/26/18/535502618.db2.gz DLMBMYUJZHBJHT-KRWDZBQOSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375237 535739404 /nfs/dbraw/zinc/73/94/04/535739404.db2.gz WEHCFNAXOYDTLJ-PASDCYSWSA-N 1 3 352.523 0.661 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC([NH3+])CC3)c2)CC1 ZINC000415262275 535750066 /nfs/dbraw/zinc/75/00/66/535750066.db2.gz FWFHMILRCFSLKP-UHFFFAOYSA-N 1 3 359.474 0.717 20 0 FCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)C1 ZINC000423568257 535961573 /nfs/dbraw/zinc/96/15/73/535961573.db2.gz RQZBLVZQXGVXSQ-XOKHGSTOSA-N 1 3 362.449 0.489 20 0 FCADHO CN(C)c1ncc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)n1C ZINC000425340391 536161160 /nfs/dbraw/zinc/16/11/60/536161160.db2.gz AMKPZIXYSQEMCQ-UHFFFAOYSA-N 1 3 350.511 0.372 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000419745404 536746544 /nfs/dbraw/zinc/74/65/44/536746544.db2.gz ACJASLYWYKBLPM-UONOGXRCSA-N 1 3 354.495 0.188 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423603799 536776028 /nfs/dbraw/zinc/77/60/28/536776028.db2.gz FGDCKBKGYGNURD-UHFFFAOYSA-N 1 3 368.522 0.405 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423603799 536776033 /nfs/dbraw/zinc/77/60/33/536776033.db2.gz FGDCKBKGYGNURD-UHFFFAOYSA-N 1 3 368.522 0.405 20 0 FCADHO COC(=O)c1cn(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097070 536825951 /nfs/dbraw/zinc/82/59/51/536825951.db2.gz AEVFUAYGVUFGFS-KSSFIOAISA-N 1 3 357.414 0.910 20 0 FCADHO COC1CC[NH+](CCNC(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000080066194 546569029 /nfs/dbraw/zinc/56/90/29/546569029.db2.gz QZSHQRNICMXEQT-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420159056 546909679 /nfs/dbraw/zinc/90/96/79/546909679.db2.gz HPSBREKJGXYKQO-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715686 546928227 /nfs/dbraw/zinc/92/82/27/546928227.db2.gz JXMPXUTUCIJIRF-DLBZAZTESA-N 1 3 356.511 0.633 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715686 546928229 /nfs/dbraw/zinc/92/82/29/546928229.db2.gz JXMPXUTUCIJIRF-DLBZAZTESA-N 1 3 356.511 0.633 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000546574185 547040520 /nfs/dbraw/zinc/04/05/20/547040520.db2.gz LDKBMPWQRSTOEI-KDOFPFPSSA-N 1 3 355.479 0.223 20 0 FCADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546574185 547040524 /nfs/dbraw/zinc/04/05/24/547040524.db2.gz LDKBMPWQRSTOEI-KDOFPFPSSA-N 1 3 355.479 0.223 20 0 FCADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550665740 547096574 /nfs/dbraw/zinc/09/65/74/547096574.db2.gz NJPWSYKAUCQIRR-MRXNPFEDSA-N 1 3 353.488 0.758 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC1CCN(C2CC2)CC1)C[NH+]1CCCC1 ZINC000550737505 547099947 /nfs/dbraw/zinc/09/99/47/547099947.db2.gz UHVDWAZHEDMPHQ-UHFFFAOYSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(F)cc(F)c1 ZINC000550797777 547106679 /nfs/dbraw/zinc/10/66/79/547106679.db2.gz KYJJKEKVZWHWRN-UHFFFAOYSA-N 1 3 356.417 0.533 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839282 547111352 /nfs/dbraw/zinc/11/13/52/547111352.db2.gz XFRWVAXCZVULBA-CRAIPNDOSA-N 1 3 368.547 0.627 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550904531 547115421 /nfs/dbraw/zinc/11/54/21/547115421.db2.gz YRBIZWZSMWEPJU-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000550904531 547115426 /nfs/dbraw/zinc/11/54/26/547115426.db2.gz YRBIZWZSMWEPJU-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551075451 547124366 /nfs/dbraw/zinc/12/43/66/547124366.db2.gz YISLDLCOFALUPC-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000551210595 547134191 /nfs/dbraw/zinc/13/41/91/547134191.db2.gz GYDQNDFXIFLMAA-SUMWQHHRSA-N 1 3 358.552 0.632 20 0 FCADHO C[C@H]([NH2+]CC(=O)NCCN1CCCCCC1)C1CCS(=O)(=O)CC1 ZINC000552064706 547185676 /nfs/dbraw/zinc/18/56/76/547185676.db2.gz JMZFHLKFNHXXJH-HNNXBMFYSA-N 1 3 359.536 0.782 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000552191511 547194166 /nfs/dbraw/zinc/19/41/66/547194166.db2.gz JARPNTMILLVHFP-HNNXBMFYSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000553271143 547264962 /nfs/dbraw/zinc/26/49/62/547264962.db2.gz GLJSITBJQFMMCT-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000553406774 547276674 /nfs/dbraw/zinc/27/66/74/547276674.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 1 3 351.499 0.251 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000553406774 547276677 /nfs/dbraw/zinc/27/66/77/547276677.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 1 3 351.499 0.251 20 0 FCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736761621 598475603 /nfs/dbraw/zinc/47/56/03/598475603.db2.gz JIUGLAQDEFBDLD-UHFFFAOYSA-N 1 3 360.466 0.607 20 0 FCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736761621 598475604 /nfs/dbraw/zinc/47/56/04/598475604.db2.gz JIUGLAQDEFBDLD-UHFFFAOYSA-N 1 3 360.466 0.607 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000950715998 674434248 /nfs/dbraw/zinc/43/42/48/674434248.db2.gz GAPZDNNBORMGRX-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C[NH+]1CCCCC1 ZINC000736025529 598522606 /nfs/dbraw/zinc/52/26/06/598522606.db2.gz LQDOBVNCZGEIMM-UONOGXRCSA-N 1 3 359.482 0.817 20 0 FCADHO CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231694 665933308 /nfs/dbraw/zinc/93/33/08/665933308.db2.gz XBYWNZAMFXVRGU-SJORKVTESA-N 1 3 352.523 0.772 20 0 FCADHO CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231694 665933310 /nfs/dbraw/zinc/93/33/10/665933310.db2.gz XBYWNZAMFXVRGU-SJORKVTESA-N 1 3 352.523 0.772 20 0 FCADHO COCCN1CC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686624 663188381 /nfs/dbraw/zinc/18/83/81/663188381.db2.gz ICMGESJSETZHGZ-OLMNPRSZSA-N 1 3 353.507 0.816 20 0 FCADHO C[NH+](C)CCN1CCC(NC(=O)N2CCc3sc(CN)nc3C2)CC1 ZINC000891339476 663352043 /nfs/dbraw/zinc/35/20/43/663352043.db2.gz BXQFKMFNFDTCJP-UHFFFAOYSA-N 1 3 366.535 0.696 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538132 663413076 /nfs/dbraw/zinc/41/30/76/663413076.db2.gz QFYDIBRNTZVVEQ-JKSUJKDBSA-N 1 3 354.495 0.555 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847016 663444519 /nfs/dbraw/zinc/44/45/19/663444519.db2.gz DKZRAYYJZKPBSD-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847016 663444520 /nfs/dbraw/zinc/44/45/20/663444520.db2.gz DKZRAYYJZKPBSD-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000892001050 663465627 /nfs/dbraw/zinc/46/56/27/663465627.db2.gz UFAMAXXGLHIEHG-HNNXBMFYSA-N 1 3 351.495 0.501 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCCCN1CCO ZINC000892761393 664137749 /nfs/dbraw/zinc/13/77/49/664137749.db2.gz ZWDVSLBUQOQPBP-JKSUJKDBSA-N 1 3 354.495 0.291 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC000975238574 664309824 /nfs/dbraw/zinc/30/98/24/664309824.db2.gz QHUFKIOWOSDLLQ-TWMKSMIVSA-N 1 3 352.523 0.972 20 0 FCADHO CN(C)C1(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCCCCC1 ZINC000262337345 665115095 /nfs/dbraw/zinc/11/50/95/665115095.db2.gz HKMIPMPNIFIDSC-UHFFFAOYSA-N 1 3 359.536 0.924 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1 ZINC000988782298 665314311 /nfs/dbraw/zinc/31/43/11/665314311.db2.gz HSGKOVBPDGVOIZ-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CN1CCC[C@@H]1C ZINC000988783691 665314735 /nfs/dbraw/zinc/31/47/35/665314735.db2.gz WTNZMDYNNXXAII-UXLLHSPISA-N 1 3 350.507 0.918 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C(=O)NCC3(C)C)CC2)CC1 ZINC000912642019 666463670 /nfs/dbraw/zinc/46/36/70/666463670.db2.gz VIBXMBPMIYAAIJ-MRXNPFEDSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)N(C)C ZINC000942548328 666735857 /nfs/dbraw/zinc/73/58/57/666735857.db2.gz SZTFCTQIDKXVSW-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000945381492 666878818 /nfs/dbraw/zinc/87/88/18/666878818.db2.gz KCYGOMJAFYEAQE-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000945381492 666878823 /nfs/dbraw/zinc/87/88/23/666878823.db2.gz KCYGOMJAFYEAQE-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1)N(C)C ZINC000994217583 666979309 /nfs/dbraw/zinc/97/93/09/666979309.db2.gz OWYHBHJHVZLWPT-DJIMGWMZSA-N 1 3 352.523 0.879 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCCCN(CCO)C2)CC1 ZINC001034209095 667749448 /nfs/dbraw/zinc/74/94/48/667749448.db2.gz GUKWFLXPDNGHOF-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923489599 667840817 /nfs/dbraw/zinc/84/08/17/667840817.db2.gz PRXWZYYVGWBXOJ-AWEZNQCLSA-N 1 3 352.504 0.884 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760497549 667851940 /nfs/dbraw/zinc/85/19/40/667851940.db2.gz UGUYSECBGIFYNY-MRXNPFEDSA-N 1 3 367.563 0.441 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000764504207 667985478 /nfs/dbraw/zinc/98/54/78/667985478.db2.gz PSNGOCZQBYGYNH-HNNXBMFYSA-N 1 3 353.536 0.194 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000774788107 668173946 /nfs/dbraw/zinc/17/39/46/668173946.db2.gz HNZBUJYCGXXKEE-CVEARBPZSA-N 1 3 354.495 0.201 20 0 FCADHO Cc1nc(Cl)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000789762406 668864347 /nfs/dbraw/zinc/86/43/47/668864347.db2.gz WWKXTNZFJBDXDV-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)(C)C[NH+](C)C ZINC000804064832 669361014 /nfs/dbraw/zinc/36/10/14/669361014.db2.gz YVCNIWXTPVGSIR-ZNMIVQPWSA-N 1 3 354.495 0.058 20 0 FCADHO CCNS(=O)(=O)CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847477872 671198420 /nfs/dbraw/zinc/19/84/20/671198420.db2.gz FTEPCUQLIZYRSX-UHFFFAOYSA-N 1 3 374.551 0.238 20 0 FCADHO COC1CCN(C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000849102048 671317969 /nfs/dbraw/zinc/31/79/69/671317969.db2.gz OXBWXJMRIKAVLL-UHFFFAOYSA-N 1 3 355.527 0.712 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923654729 672997026 /nfs/dbraw/zinc/99/70/26/672997026.db2.gz KWPUCJTZDWFGRN-KRWDZBQOSA-N 1 3 352.504 0.385 20 0 FCADHO CC[NH+](CC)CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883032946 673364279 /nfs/dbraw/zinc/36/42/79/673364279.db2.gz YOVOCYBIQCDJGK-UHFFFAOYSA-N 1 3 353.511 0.844 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884503846 673457673 /nfs/dbraw/zinc/45/76/73/673457673.db2.gz VFDQJYLLFZONOO-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884503846 673457674 /nfs/dbraw/zinc/45/76/74/673457674.db2.gz VFDQJYLLFZONOO-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612542 673465926 /nfs/dbraw/zinc/46/59/26/673465926.db2.gz NWDCEPATFIQTME-ROUUACIJSA-N 1 3 368.547 0.532 20 0 FCADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000884705749 673474907 /nfs/dbraw/zinc/47/49/07/673474907.db2.gz GTAXFKAXCBMGBT-ZIAGYGMSSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884705838 673474984 /nfs/dbraw/zinc/47/49/84/673474984.db2.gz JHLKNKGCLAEACJ-DWBBHFSCSA-N 1 3 354.495 0.595 20 0 FCADHO CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)[NH2+]C1 ZINC000884884398 673488513 /nfs/dbraw/zinc/48/85/13/673488513.db2.gz CESUTTCWMJEITR-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[NH2+]C1 ZINC000884884401 673488653 /nfs/dbraw/zinc/48/86/53/673488653.db2.gz CESUTTCWMJEITR-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144177 673505593 /nfs/dbraw/zinc/50/55/93/673505593.db2.gz BBLCESZYISUFFL-OAHLLOKOSA-N 1 3 354.495 0.060 20 0 FCADHO CCN(C(=O)C(=O)N(C)CCCN(C)Cc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000887068688 673618559 /nfs/dbraw/zinc/61/85/59/673618559.db2.gz QAFPPVDYVKRMOJ-OAHLLOKOSA-N 1 3 350.463 0.770 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001014501312 675391505 /nfs/dbraw/zinc/39/15/05/675391505.db2.gz JHSDMGKIPAQVCX-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001014501312 675391506 /nfs/dbraw/zinc/39/15/06/675391506.db2.gz JHSDMGKIPAQVCX-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019069066 675420891 /nfs/dbraw/zinc/42/08/91/675420891.db2.gz ASFBBLIUEBKFIV-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1)N(C)C ZINC001019069066 675420892 /nfs/dbraw/zinc/42/08/92/675420892.db2.gz ASFBBLIUEBKFIV-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCN(CC(N)=O)C3)CC2)CC[N@@H+]1C ZINC001039132817 675447529 /nfs/dbraw/zinc/44/75/29/675447529.db2.gz OVXITMCWQGXWST-YESZJQIVSA-N 1 3 350.507 0.763 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCN(CC(N)=O)C3)CC2)CC[N@H+]1C ZINC001039132817 675447532 /nfs/dbraw/zinc/44/75/32/675447532.db2.gz OVXITMCWQGXWST-YESZJQIVSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001045444933 675654021 /nfs/dbraw/zinc/65/40/21/675654021.db2.gz KXRHAECLESFUON-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001045444933 675654023 /nfs/dbraw/zinc/65/40/23/675654023.db2.gz KXRHAECLESFUON-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CN(C)CCN1C ZINC000900805747 675718441 /nfs/dbraw/zinc/71/84/41/675718441.db2.gz QERVLAMKDXAPRT-IRXDYDNUSA-N 1 3 352.523 0.772 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C2CC2)N(C)C)CC[N@@H+]1C ZINC000969208226 1167814223 /nfs/dbraw/zinc/81/42/23/1167814223.db2.gz JUWUEJKMJSETKR-SOVHRIKKSA-N 1 3 362.518 0.869 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C2CC2)N(C)C)CC[N@H+]1C ZINC000969208226 1167814225 /nfs/dbraw/zinc/81/42/25/1167814225.db2.gz JUWUEJKMJSETKR-SOVHRIKKSA-N 1 3 362.518 0.869 20 0 FCADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001104289006 1169390186 /nfs/dbraw/zinc/39/01/86/1169390186.db2.gz BRHIHGYCWNJGDB-MGPQQGTHSA-N 1 3 367.494 0.128 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322367 1169957348 /nfs/dbraw/zinc/95/73/48/1169957348.db2.gz FEYRLOSNSASCFI-FMKPAKJESA-N 1 3 369.510 0.102 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001104348769 1170202447 /nfs/dbraw/zinc/20/24/47/1170202447.db2.gz TZLDHIKTUWLPLU-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CCC1 ZINC001022039886 1170461329 /nfs/dbraw/zinc/46/13/29/1170461329.db2.gz XPFQGGIXYHWVEG-FUHWJXTLSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)CCC1 ZINC001022217510 1170765765 /nfs/dbraw/zinc/76/57/65/1170765765.db2.gz PTMWIULRWWRTIF-JKSUJKDBSA-N 1 3 360.502 0.626 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CN1C1CC1 ZINC000891662502 1170801894 /nfs/dbraw/zinc/80/18/94/1170801894.db2.gz YCNWPNVGMDQGGF-IVCRCZCHSA-N 1 3 363.462 0.188 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)Cc1c[nH]cn1 ZINC000988749846 1192439178 /nfs/dbraw/zinc/43/91/78/1192439178.db2.gz AVIGSFWZFZLKCW-ZBFHGGJFSA-N 1 3 359.474 0.934 20 0 FCADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](NCc2ncccn2)C1 ZINC001691268471 1171002780 /nfs/dbraw/zinc/00/27/80/1171002780.db2.gz QAAMESVILJITBS-IXDOHACOSA-N 1 3 361.490 0.819 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001691268471 1171002788 /nfs/dbraw/zinc/00/27/88/1171002788.db2.gz QAAMESVILJITBS-IXDOHACOSA-N 1 3 361.490 0.819 20 0 FCADHO NC(=O)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000891999358 1171457442 /nfs/dbraw/zinc/45/74/42/1171457442.db2.gz BLPOZFDEZBFHBM-STQMWFEESA-N 1 3 371.489 0.873 20 0 FCADHO NC(=O)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000891999358 1171457456 /nfs/dbraw/zinc/45/74/56/1171457456.db2.gz BLPOZFDEZBFHBM-STQMWFEESA-N 1 3 371.489 0.873 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547730 1192784765 /nfs/dbraw/zinc/78/47/65/1192784765.db2.gz FPLLRWIYWNBJJB-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547730 1192784769 /nfs/dbraw/zinc/78/47/69/1192784769.db2.gz FPLLRWIYWNBJJB-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000550636549 1192891855 /nfs/dbraw/zinc/89/18/55/1192891855.db2.gz XHVHQWZXGLUEAA-KRWDZBQOSA-N 1 3 368.522 0.452 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000550636549 1192891856 /nfs/dbraw/zinc/89/18/56/1192891856.db2.gz XHVHQWZXGLUEAA-KRWDZBQOSA-N 1 3 368.522 0.452 20 0 FCADHO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000892528008 1181742013 /nfs/dbraw/zinc/74/20/13/1181742013.db2.gz AZLRHDFCOOPIAU-KRWDZBQOSA-N 1 3 357.462 0.962 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000892685591 1182276611 /nfs/dbraw/zinc/27/66/11/1182276611.db2.gz ALTUVSSKWARCSB-QZTJIDSGSA-N 1 3 368.522 0.728 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)C[C@H]2[NH3+])cn1 ZINC000892790199 1182507518 /nfs/dbraw/zinc/50/75/18/1182507518.db2.gz ZJWXKGBOTZYMLH-FGTMMUONSA-N 1 3 354.458 0.571 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1 ZINC001104809533 1182928549 /nfs/dbraw/zinc/92/85/49/1182928549.db2.gz KCGISGHFAQBASW-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001104812176 1182931498 /nfs/dbraw/zinc/93/14/98/1182931498.db2.gz MRICFHCSGCNCKK-KZNAEPCWSA-N 1 3 365.522 0.660 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001104813110 1182933561 /nfs/dbraw/zinc/93/35/61/1182933561.db2.gz YLUJJNMDYYGHEU-HZPDHXFCSA-N 1 3 366.506 0.551 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975210608 1183772727 /nfs/dbraw/zinc/77/27/27/1183772727.db2.gz IVVOBXSNCJZWQN-GVDBMIGSSA-N 1 3 360.502 0.626 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@H]2CCNC2=O)C1 ZINC001211661699 1183783442 /nfs/dbraw/zinc/78/34/42/1183783442.db2.gz HEXSYFOUJLXYFY-OKZBNKHCSA-N 1 3 358.486 0.801 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)CN4CCCC4)C[C@@H]32)C1 ZINC000975718956 1185641660 /nfs/dbraw/zinc/64/16/60/1185641660.db2.gz DLBITSVRYUJTGY-SQNIBIBYSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)CN4CCCC4)C[C@@H]32)C1 ZINC000975718956 1185641673 /nfs/dbraw/zinc/64/16/73/1185641673.db2.gz DLBITSVRYUJTGY-SQNIBIBYSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112529719 1186090137 /nfs/dbraw/zinc/09/01/37/1186090137.db2.gz LZIRRGDUFTVGAM-ZWOKBUDYSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)C1 ZINC001112529963 1186093926 /nfs/dbraw/zinc/09/39/26/1186093926.db2.gz XNEYUXZBVPISRE-LNLFQRSKSA-N 1 3 360.506 0.838 20 0 FCADHO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530412 1186133598 /nfs/dbraw/zinc/13/35/98/1186133598.db2.gz SUNYBUSUECJEEC-QKLQHJQFSA-N 1 3 367.534 0.944 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000893867863 1187518980 /nfs/dbraw/zinc/51/89/80/1187518980.db2.gz RWAGCPBORUPAMN-ZWKOTPCHSA-N 1 3 367.538 0.253 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000549939904 1187751788 /nfs/dbraw/zinc/75/17/88/1187751788.db2.gz FEOUJLYMGDLDIM-KRWDZBQOSA-N 1 3 367.538 0.071 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)CCC1 ZINC001087992774 1190143768 /nfs/dbraw/zinc/14/37/68/1190143768.db2.gz LVNWUINOBWKPEH-CVEARBPZSA-N 1 3 363.506 0.276 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)CCC1 ZINC001087992774 1190143771 /nfs/dbraw/zinc/14/37/71/1190143771.db2.gz LVNWUINOBWKPEH-CVEARBPZSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105961 1190592537 /nfs/dbraw/zinc/59/25/37/1190592537.db2.gz JMINPARZQPWAMN-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088105961 1190592546 /nfs/dbraw/zinc/59/25/46/1190592546.db2.gz JMINPARZQPWAMN-KSZLIROESA-N 1 3 362.518 0.873 20 0 FCADHO C[NH+]1CCC(CC(=O)N2C[C@H]3CCN([C@@H]4CCCNC4=O)C[C@H]3C2)CC1 ZINC001088130599 1190633073 /nfs/dbraw/zinc/63/30/73/1190633073.db2.gz WOHUJUTWPOHYER-FGTMMUONSA-N 1 3 362.518 0.777 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128075 1190899885 /nfs/dbraw/zinc/89/98/85/1190899885.db2.gz QXNPRZINFDZSHV-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1)C1CCC1 ZINC000986128075 1190899887 /nfs/dbraw/zinc/89/98/87/1190899887.db2.gz QXNPRZINFDZSHV-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618908 1191208621 /nfs/dbraw/zinc/20/86/21/1191208621.db2.gz FMJROIADBQTQJD-SJORKVTESA-N 1 3 366.506 0.794 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC001218579267 1224177068 /nfs/dbraw/zinc/17/70/68/1224177068.db2.gz BIFBDQIJZDPSKU-INIZCTEOSA-N 1 3 363.510 0.663 20 0 FCADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105668046 1193946405 /nfs/dbraw/zinc/94/64/05/1193946405.db2.gz HCJNIPAHPYKXAZ-LTDCPUDJSA-N 1 3 368.522 0.040 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000553025320 1193965400 /nfs/dbraw/zinc/96/54/00/1193965400.db2.gz WWSWISZXWSMDNG-MRXNPFEDSA-N 1 3 367.538 0.119 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000553025320 1193965405 /nfs/dbraw/zinc/96/54/05/1193965405.db2.gz WWSWISZXWSMDNG-MRXNPFEDSA-N 1 3 367.538 0.119 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553261097 1193986214 /nfs/dbraw/zinc/98/62/14/1193986214.db2.gz NJZPZUNXGUATOV-UHFFFAOYSA-N 1 3 366.506 0.302 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218669804 1224192971 /nfs/dbraw/zinc/19/29/71/1224192971.db2.gz XBXKMBQHINUPIO-KRWDZBQOSA-N 1 3 366.510 0.649 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521946 1194135039 /nfs/dbraw/zinc/13/50/39/1194135039.db2.gz NBPNOEBZYRCDBO-QRVBRYPASA-N 1 3 367.534 0.942 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)C1 ZINC001083521946 1194135042 /nfs/dbraw/zinc/13/50/42/1194135042.db2.gz NBPNOEBZYRCDBO-QRVBRYPASA-N 1 3 367.534 0.942 20 0 FCADHO Nc1cccnc1N(C(=O)[C@@H]1CNCc2ccnn2C1)C1CC[NH2+]CC1 ZINC001218694658 1224197149 /nfs/dbraw/zinc/19/71/49/1224197149.db2.gz CDONJNIIPYMLSA-CYBMUJFWSA-N 1 3 355.446 0.365 20 0 FCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710859 1224202053 /nfs/dbraw/zinc/20/20/53/1224202053.db2.gz MYEALQPNJSFMDC-RYUDHWBXSA-N 1 3 357.418 0.580 20 0 FCADHO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n(CCF)n1 ZINC001218744012 1224210465 /nfs/dbraw/zinc/21/04/65/1224210465.db2.gz RYZYQIJYMOMGAJ-KBPBESRZSA-N 1 3 368.457 0.547 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001691626546 1194322206 /nfs/dbraw/zinc/32/22/06/1194322206.db2.gz JEDHXAYXRXMHJK-HRCADAONSA-N 1 3 350.507 0.824 20 0 FCADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](N)Cc2c[nH]cn2)cc1 ZINC001218855639 1224241176 /nfs/dbraw/zinc/24/11/76/1224241176.db2.gz LMRYQHCMIYHVKT-QGZVFWFLSA-N 1 3 372.473 0.990 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001077128815 1195244198 /nfs/dbraw/zinc/24/41/98/1195244198.db2.gz GFGTVILLFWBFHM-GUDVDZBRSA-N 1 3 365.518 0.981 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001077128815 1195244201 /nfs/dbraw/zinc/24/42/01/1195244201.db2.gz GFGTVILLFWBFHM-GUDVDZBRSA-N 1 3 365.518 0.981 20 0 FCADHO CC[C@]1(c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2)CCC(=O)NC1=O ZINC001218950724 1224270195 /nfs/dbraw/zinc/27/01/95/1224270195.db2.gz XRLKKGRFPGANFE-FOIQADDNSA-N 1 3 370.453 0.519 20 0 FCADHO CC[C@@]1(c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2)CCC(=O)NC1=O ZINC001218950726 1224270503 /nfs/dbraw/zinc/27/05/03/1224270503.db2.gz XRLKKGRFPGANFE-QRWLVFNGSA-N 1 3 370.453 0.519 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)C1 ZINC000904468635 1195539466 /nfs/dbraw/zinc/53/94/66/1195539466.db2.gz DAASICFNJGDYPY-INIZCTEOSA-N 1 3 366.506 0.335 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000911080631 1195883913 /nfs/dbraw/zinc/88/39/13/1195883913.db2.gz PHCALIYILRKXNZ-MRXNPFEDSA-N 1 3 360.458 0.001 20 0 FCADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c21 ZINC000592958467 1196600107 /nfs/dbraw/zinc/60/01/07/1196600107.db2.gz CQQQEVCNBZCLSL-OAHLLOKOSA-N 1 3 374.489 0.099 20 0 FCADHO COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)[C@H](N)CCC[NH3+] ZINC001219177929 1224375979 /nfs/dbraw/zinc/37/59/79/1224375979.db2.gz CENLSOBXVBGBBW-OAHLLOKOSA-N 1 3 363.462 0.368 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033695 1197702902 /nfs/dbraw/zinc/70/29/02/1197702902.db2.gz SCLUNKYGLUOWSM-MDZRGWNJSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@]3(C)C2)CCC1 ZINC000993033695 1197702907 /nfs/dbraw/zinc/70/29/07/1197702907.db2.gz SCLUNKYGLUOWSM-MDZRGWNJSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274353 1197744116 /nfs/dbraw/zinc/74/41/16/1197744116.db2.gz HITDELSPWBGJTD-FGTMMUONSA-N 1 3 366.506 0.792 20 0 FCADHO Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CN(C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723698 1197755871 /nfs/dbraw/zinc/75/58/71/1197755871.db2.gz WRPXNSJLNJHCTD-QYZOEREBSA-N 1 3 361.486 0.766 20 0 FCADHO Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CN(C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723698 1197755883 /nfs/dbraw/zinc/75/58/83/1197755883.db2.gz WRPXNSJLNJHCTD-QYZOEREBSA-N 1 3 361.486 0.766 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1)N(C)C ZINC000993077085 1197801677 /nfs/dbraw/zinc/80/16/77/1197801677.db2.gz KAWYYSCPCDQAHX-SQGPQFPESA-N 1 3 364.534 0.975 20 0 FCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000734667525 1197801780 /nfs/dbraw/zinc/80/17/80/1197801780.db2.gz HGTLRSLTSZGCAU-KSZLIROESA-N 1 3 365.522 0.271 20 0 FCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000734667525 1197801782 /nfs/dbraw/zinc/80/17/82/1197801782.db2.gz HGTLRSLTSZGCAU-KSZLIROESA-N 1 3 365.522 0.271 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)N(C)C ZINC001106282234 1197825649 /nfs/dbraw/zinc/82/56/49/1197825649.db2.gz ZPMCZMPYSPQWLE-RKVPGOIHSA-N 1 3 366.506 0.406 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000735855487 1197893806 /nfs/dbraw/zinc/89/38/06/1197893806.db2.gz FKBSZSNNNJARLH-QWFCFKBJSA-N 1 3 359.470 0.603 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735855487 1197893808 /nfs/dbraw/zinc/89/38/08/1197893808.db2.gz FKBSZSNNNJARLH-QWFCFKBJSA-N 1 3 359.470 0.603 20 0 FCADHO CCOC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c2c1OCCO2 ZINC001219372906 1224445213 /nfs/dbraw/zinc/44/52/13/1224445213.db2.gz JPVSDYJIKDJFQP-GFCCVEGCSA-N 1 3 361.398 0.382 20 0 FCADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000915062466 1197932954 /nfs/dbraw/zinc/93/29/54/1197932954.db2.gz IGYNLCAVAGOUER-GOSISDBHSA-N 1 3 366.506 0.166 20 0 FCADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000915062466 1197932961 /nfs/dbraw/zinc/93/29/61/1197932961.db2.gz IGYNLCAVAGOUER-GOSISDBHSA-N 1 3 366.506 0.166 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000737239948 1197961698 /nfs/dbraw/zinc/96/16/98/1197961698.db2.gz PQYPHZOIZIGEMM-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000737239948 1197961707 /nfs/dbraw/zinc/96/17/07/1197961707.db2.gz PQYPHZOIZIGEMM-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006929 1200698851 /nfs/dbraw/zinc/69/88/51/1200698851.db2.gz AERFARSHGUNZRG-BDXSIMOUSA-N 1 3 371.522 0.464 20 0 FCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837761 1224647358 /nfs/dbraw/zinc/64/73/58/1224647358.db2.gz LQXDJKXNVRCAIT-WSTZPKSXSA-N 1 3 361.486 0.848 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219848313 1224652483 /nfs/dbraw/zinc/65/24/83/1224652483.db2.gz WQGIRZMZZRKWNB-MVSUVFOUSA-N 1 3 356.470 0.348 20 0 FCADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107667 1201502842 /nfs/dbraw/zinc/50/28/42/1201502842.db2.gz UTZPWJIPDRJHPB-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cncc2C)n1 ZINC001130222887 1201552180 /nfs/dbraw/zinc/55/21/80/1201552180.db2.gz HPUGMMWJAYAEPJ-KBPBESRZSA-N 1 3 361.450 0.498 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cncc2C)[nH]1 ZINC001130222887 1201552181 /nfs/dbraw/zinc/55/21/81/1201552181.db2.gz HPUGMMWJAYAEPJ-KBPBESRZSA-N 1 3 361.450 0.498 20 0 FCADHO CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)[n-]1 ZINC001130242169 1201562765 /nfs/dbraw/zinc/56/27/65/1201562765.db2.gz JXWOXYDFIVIVHQ-GJZGRUSLSA-N 1 3 366.510 0.881 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219941330 1224692697 /nfs/dbraw/zinc/69/26/97/1224692697.db2.gz VKBMXJSRJFGJAL-ROUUACIJSA-N 1 3 358.486 0.345 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219941330 1224692702 /nfs/dbraw/zinc/69/27/02/1224692702.db2.gz VKBMXJSRJFGJAL-ROUUACIJSA-N 1 3 358.486 0.345 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCc2cccc(C[NH+](C)C)c2)COC1(C)C ZINC001219943405 1224693513 /nfs/dbraw/zinc/69/35/13/1224693513.db2.gz HTSYMDSFLZMUBJ-BBRMVZONSA-N 1 3 362.474 0.675 20 0 FCADHO COC(=O)[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(OC)cc1 ZINC001219974619 1224709501 /nfs/dbraw/zinc/70/95/01/1224709501.db2.gz BFPYUQNIHLOHAB-JKSUJKDBSA-N 1 3 361.442 0.900 20 0 FCADHO COC(=O)[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974619 1224709503 /nfs/dbraw/zinc/70/95/03/1224709503.db2.gz BFPYUQNIHLOHAB-JKSUJKDBSA-N 1 3 361.442 0.900 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c2ccccc21 ZINC001220046744 1224737060 /nfs/dbraw/zinc/73/70/60/1224737060.db2.gz BVHGDZMFPYNERB-YOEHRIQHSA-N 1 3 372.473 0.626 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131010134 1202844294 /nfs/dbraw/zinc/84/42/94/1202844294.db2.gz BRXSMHRKECWAPR-NUJGCVRESA-N 1 3 365.522 0.927 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010577 1202844423 /nfs/dbraw/zinc/84/44/23/1202844423.db2.gz SKJZXVMBVAWIOP-HZPDHXFCSA-N 1 3 363.506 0.825 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001131010625 1202844471 /nfs/dbraw/zinc/84/44/71/1202844471.db2.gz VOWIPRALWADAAE-NUJGCVRESA-N 1 3 365.522 0.927 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070497 1202856659 /nfs/dbraw/zinc/85/66/59/1202856659.db2.gz YPBSCYWSFNKEKY-GVDBMIGSSA-N 1 3 363.506 0.682 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001131079298 1202860208 /nfs/dbraw/zinc/86/02/08/1202860208.db2.gz JWMNOFXSVQHHGL-HZPDHXFCSA-N 1 3 360.462 0.697 20 0 FCADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001131097032 1202862481 /nfs/dbraw/zinc/86/24/81/1202862481.db2.gz WXOCLXOTIGPNDL-IAGOWNOFSA-N 1 3 363.506 0.682 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131130537 1202869182 /nfs/dbraw/zinc/86/91/82/1202869182.db2.gz RKVTVIFWAYMYTM-GVDBMIGSSA-N 1 3 365.522 0.805 20 0 FCADHO CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131464476 1202899978 /nfs/dbraw/zinc/89/99/78/1202899978.db2.gz SKPXDHVSYKMOKV-NUJGCVRESA-N 1 3 366.506 0.155 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001131582901 1202918132 /nfs/dbraw/zinc/91/81/32/1202918132.db2.gz FHGABEXIYYPHCJ-SCTDSRPQSA-N 1 3 371.522 0.321 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604774 1202918544 /nfs/dbraw/zinc/91/85/44/1202918544.db2.gz GLMTWJWCAAHXCO-SCTDSRPQSA-N 1 3 369.506 0.075 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1 ZINC001131609020 1202920648 /nfs/dbraw/zinc/92/06/48/1202920648.db2.gz VTVFNPIUJVPQBJ-APWZRJJASA-N 1 3 368.522 0.401 20 0 FCADHO COC(=O)[C@H]1[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C[C@@H]21 ZINC000813615206 1203000035 /nfs/dbraw/zinc/00/00/35/1203000035.db2.gz OSEDZTQGCOLLIH-FVQHAEBGSA-N 1 3 364.490 0.605 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000817993514 1203132076 /nfs/dbraw/zinc/13/20/76/1203132076.db2.gz KYTRCHIIGHPVMG-SQNIBIBYSA-N 1 3 356.470 0.540 20 0 FCADHO [NH3+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220356934 1224841371 /nfs/dbraw/zinc/84/13/71/1224841371.db2.gz GLBICNKLGUHPJM-MWDXBVQZSA-N 1 3 361.442 0.536 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357334 1224842250 /nfs/dbraw/zinc/84/22/50/1224842250.db2.gz KJHBANJKHOPUMZ-TWMKSMIVSA-N 1 3 361.442 0.285 20 0 FCADHO CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358039 1224842457 /nfs/dbraw/zinc/84/24/57/1224842457.db2.gz OKRRSECYPWCEEP-RCCFBDPRSA-N 1 3 374.485 0.465 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087011188 1204898266 /nfs/dbraw/zinc/89/82/66/1204898266.db2.gz JFZGBTHHORVGLZ-RBUKOAKNSA-N 1 3 371.485 0.672 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059739 1204944715 /nfs/dbraw/zinc/94/47/15/1204944715.db2.gz SORLDKAXLXPGDD-CRAIPNDOSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CNCc1cnon1 ZINC001087064973 1204953034 /nfs/dbraw/zinc/95/30/34/1204953034.db2.gz COTOOUOTMZFMMY-RHSMWYFYSA-N 1 3 370.413 0.984 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1ccn(C)n1 ZINC001087079144 1204989502 /nfs/dbraw/zinc/98/95/02/1204989502.db2.gz ALUCAUHBSWWFKH-SJLPKXTDSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1nccn1C ZINC001087079625 1204991796 /nfs/dbraw/zinc/99/17/96/1204991796.db2.gz YZVPSTUWWFUUFR-IAGOWNOFSA-N 1 3 363.506 0.715 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818405 1205041395 /nfs/dbraw/zinc/04/13/95/1205041395.db2.gz FSORONMGPKSUPJ-FCEWJHQRSA-N 1 3 362.518 0.872 20 0 FCADHO COc1ccccc1C1(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)CCOCC1 ZINC001220445887 1224875496 /nfs/dbraw/zinc/87/54/96/1224875496.db2.gz XYGDFKIJMPAIEP-INIZCTEOSA-N 1 3 359.470 0.669 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220502031 1224894891 /nfs/dbraw/zinc/89/48/91/1224894891.db2.gz XRHPKOLWWRHFQL-LSDHHAIUSA-N 1 3 356.430 0.130 20 0 FCADHO CCOC(=O)C1=C(NC(=O)c2cccc(N3CC[NH2+]CC3)c2)CCNC1 ZINC001220525755 1224906419 /nfs/dbraw/zinc/90/64/19/1224906419.db2.gz RIDJNPOMUSPWEZ-UHFFFAOYSA-N 1 3 358.442 0.637 20 0 FCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](CNCc2ncnn2CCF)[C@H](C)C1 ZINC001094041188 1206174307 /nfs/dbraw/zinc/17/43/07/1206174307.db2.gz ZJIRHOJHVYGFSF-BZUAXINKSA-N 1 3 366.485 0.916 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](CNCc2ncnn2CCF)[C@H](C)C1 ZINC001094041188 1206174309 /nfs/dbraw/zinc/17/43/09/1206174309.db2.gz ZJIRHOJHVYGFSF-BZUAXINKSA-N 1 3 366.485 0.916 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001094074976 1206179677 /nfs/dbraw/zinc/17/96/77/1206179677.db2.gz RFOVERQTXCNRQF-CPUCHLNUSA-N 1 3 359.474 0.790 20 0 FCADHO CN1CCC(O)(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC1 ZINC001182031100 1206419057 /nfs/dbraw/zinc/41/90/57/1206419057.db2.gz LUVNBZFRDTWVFB-JZXOWHBKSA-N 1 3 374.485 0.638 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)Cc3ccco3)C2)CC[N@@H+]1C ZINC001182684731 1206442350 /nfs/dbraw/zinc/44/23/50/1206442350.db2.gz VNTZDLIYVYGARE-BFYDXBDKSA-N 1 3 362.474 0.769 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)Cc3ccco3)C2)CC[N@H+]1C ZINC001182684731 1206442352 /nfs/dbraw/zinc/44/23/52/1206442352.db2.gz VNTZDLIYVYGARE-BFYDXBDKSA-N 1 3 362.474 0.769 20 0 FCADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CNCc2ccnn2C1 ZINC001220648980 1224987994 /nfs/dbraw/zinc/98/79/94/1224987994.db2.gz PQVYILPLBDKTOM-INIZCTEOSA-N 1 3 354.458 0.329 20 0 FCADHO Cn1nnc2cc(CN3C[C@@H]4CCN(C(=O)CC[NH+](C)C)[C@@H]4C3)ccc21 ZINC001189035413 1207497229 /nfs/dbraw/zinc/49/72/29/1207497229.db2.gz YCZXSVBFCMRHEL-MAUKXSAKSA-N 1 3 356.474 0.953 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001189801299 1207610413 /nfs/dbraw/zinc/61/04/13/1207610413.db2.gz CKWRGMLQSHEKIB-RBUKOAKNSA-N 1 3 361.486 0.790 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCOCCNC(C)=O)C2)CC[N@@H+]1C ZINC001190248251 1207668032 /nfs/dbraw/zinc/66/80/32/1207668032.db2.gz ZKMRYIDCCBBMNC-FGTMMUONSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCOCCNC(C)=O)C2)CC[N@H+]1C ZINC001190248251 1207668035 /nfs/dbraw/zinc/66/80/35/1207668035.db2.gz ZKMRYIDCCBBMNC-FGTMMUONSA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194831424 1207978207 /nfs/dbraw/zinc/97/82/07/1207978207.db2.gz CZBCCVNERCPXIO-ARLDDLHVSA-N 1 3 365.518 0.837 20 0 FCADHO CC(C)(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194831424 1207978209 /nfs/dbraw/zinc/97/82/09/1207978209.db2.gz CZBCCVNERCPXIO-ARLDDLHVSA-N 1 3 365.518 0.837 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001197955925 1208208891 /nfs/dbraw/zinc/20/88/91/1208208891.db2.gz QZDMGOFMERERCW-IAGOWNOFSA-N 1 3 366.510 0.342 20 0 FCADHO O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001220771489 1225064151 /nfs/dbraw/zinc/06/41/51/1225064151.db2.gz VZAJPWXHVRUIGO-MSOLQXFVSA-N 1 3 365.518 0.840 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21)N(C)C ZINC001489653296 1209039559 /nfs/dbraw/zinc/03/95/59/1209039559.db2.gz KAFJAPQIVLMUEH-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2nccnc21 ZINC001220950732 1225154269 /nfs/dbraw/zinc/15/42/69/1225154269.db2.gz DRNJXRTXCVTXMK-BPUTZDHNSA-N 1 3 374.489 0.418 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220970996 1225166260 /nfs/dbraw/zinc/16/62/60/1225166260.db2.gz ORKZDKQCUMKCMH-CVEARBPZSA-N 1 3 362.449 0.570 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000863754102 1209949865 /nfs/dbraw/zinc/94/98/65/1209949865.db2.gz NYSMBYGDGUURHG-HNNXBMFYSA-N 1 3 361.490 0.353 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000863754468 1209950231 /nfs/dbraw/zinc/95/02/31/1209950231.db2.gz 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C[C@@H](CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000883332315 1210662133 /nfs/dbraw/zinc/66/21/33/1210662133.db2.gz RZSXZOJHMMNXRX-HNNXBMFYSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@@H](CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[N@@H+](C)C1CC1 ZINC000883332315 1210662142 /nfs/dbraw/zinc/66/21/42/1210662142.db2.gz RZSXZOJHMMNXRX-HNNXBMFYSA-N 1 3 365.522 0.985 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000884566976 1210752524 /nfs/dbraw/zinc/75/25/24/1210752524.db2.gz YRNJQPCPPFHKCD-RHSMWYFYSA-N 1 3 358.486 0.255 20 0 FCADHO CCN(C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000884566197 1210752832 /nfs/dbraw/zinc/75/28/32/1210752832.db2.gz CZYJARSSGXQCLR-QGZVFWFLSA-N 1 3 358.486 0.412 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884587882 1210757990 /nfs/dbraw/zinc/75/79/90/1210757990.db2.gz SUAPPLGEDIJUEQ-UHFFFAOYSA-N 1 3 362.474 0.033 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884598216 1210758752 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SZDGAGWQIYGIIH-FGTMMUONSA-N 1 3 367.538 0.375 20 0 FCADHO CC(C)[C@H](CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O)N1CCN(C)CC1 ZINC000924457083 1211469943 /nfs/dbraw/zinc/46/99/43/1211469943.db2.gz PIBISLPDWDWJGH-IRXDYDNUSA-N 1 3 365.522 0.665 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925351838 1211497209 /nfs/dbraw/zinc/49/72/09/1211497209.db2.gz YYSZWWXLDKGZKT-IKGGRYGDSA-N 1 3 364.490 0.771 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000926316680 1211529987 /nfs/dbraw/zinc/52/99/87/1211529987.db2.gz MJQZUKGLGGIBOT-BPQIPLTHSA-N 1 3 373.501 0.700 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000927881424 1211589785 /nfs/dbraw/zinc/58/97/85/1211589785.db2.gz BRERAUKWSOCIQO-INIZCTEOSA-N 1 3 373.501 0.964 20 0 FCADHO NC(=O)c1ccc(C[C@H](N)C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)cc1 ZINC001221392881 1225305107 /nfs/dbraw/zinc/30/51/07/1225305107.db2.gz PLUICSVEAALDQC-KRWDZBQOSA-N 1 3 369.469 0.224 20 0 FCADHO CN1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001221404900 1225307189 /nfs/dbraw/zinc/30/71/89/1225307189.db2.gz MEFOWNUBOBYXCL-OXQOHEQNSA-N 1 3 358.486 0.285 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001111308299 1212537644 /nfs/dbraw/zinc/53/76/44/1212537644.db2.gz MFQYZZHDMCFRMM-TVFCKZIOSA-N 1 3 363.506 0.697 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001111308299 1212537650 /nfs/dbraw/zinc/53/76/50/1212537650.db2.gz MFQYZZHDMCFRMM-TVFCKZIOSA-N 1 3 363.506 0.697 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089354 1213248870 /nfs/dbraw/zinc/24/88/70/1213248870.db2.gz CGBZZDVGCRYUOT-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089353 1213249052 /nfs/dbraw/zinc/24/90/52/1213249052.db2.gz CGBZZDVGCRYUOT-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001039867291 1214452177 /nfs/dbraw/zinc/45/21/77/1214452177.db2.gz GLCROSUZXDOWSV-FRQCXROJSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001039867291 1214452181 /nfs/dbraw/zinc/45/21/81/1214452181.db2.gz GLCROSUZXDOWSV-FRQCXROJSA-N 1 3 368.522 0.138 20 0 FCADHO CC(C)COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950143 1225548962 /nfs/dbraw/zinc/54/89/62/1225548962.db2.gz VNHGSKIOBWGJAW-KZNAEPCWSA-N 1 3 365.518 0.648 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000963605961 1214831570 /nfs/dbraw/zinc/83/15/70/1214831570.db2.gz QKHBCPIDBUMIOC-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000963605961 1214831574 /nfs/dbraw/zinc/83/15/74/1214831574.db2.gz QKHBCPIDBUMIOC-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)Cc2c[nH]cn2)CC3)CC[N@@H+]1C ZINC000963925849 1214876231 /nfs/dbraw/zinc/87/62/31/1214876231.db2.gz WEQGEIADOGDHSW-FVQBIDKESA-N 1 3 359.474 0.790 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)Cc2c[nH]cn2)CC3)CC[N@H+]1C ZINC000963925849 1214876232 /nfs/dbraw/zinc/87/62/32/1214876232.db2.gz WEQGEIADOGDHSW-FVQBIDKESA-N 1 3 359.474 0.790 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCC(=O)NC2=O)CC3)CC[N@@H+]1C ZINC001050525440 1216330718 /nfs/dbraw/zinc/33/07/18/1216330718.db2.gz XLEXBLFGKRXKQM-KFWWJZLASA-N 1 3 362.474 0.056 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCC(=O)NC2=O)CC3)CC[N@H+]1C ZINC001050525440 1216330724 /nfs/dbraw/zinc/33/07/24/1216330724.db2.gz XLEXBLFGKRXKQM-KFWWJZLASA-N 1 3 362.474 0.056 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827706336 1216642972 /nfs/dbraw/zinc/64/29/72/1216642972.db2.gz LMIUJXFLOJLZKT-BBWFWOEESA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827706336 1216642976 /nfs/dbraw/zinc/64/29/76/1216642976.db2.gz LMIUJXFLOJLZKT-BBWFWOEESA-N 1 3 366.506 0.202 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001068401833 1216731643 /nfs/dbraw/zinc/73/16/43/1216731643.db2.gz UAZTUTADBQMUMY-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCCN(C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001068401833 1216731650 /nfs/dbraw/zinc/73/16/50/1216731650.db2.gz UAZTUTADBQMUMY-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068939650 1216770358 /nfs/dbraw/zinc/77/03/58/1216770358.db2.gz GGKCRBDGWGTGGD-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068939650 1216770363 /nfs/dbraw/zinc/77/03/63/1216770363.db2.gz GGKCRBDGWGTGGD-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223947198 1225748546 /nfs/dbraw/zinc/74/85/46/1225748546.db2.gz YJGIPDKGUSVPKG-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000901119583 1218083676 /nfs/dbraw/zinc/08/36/76/1218083676.db2.gz SYEJTNCMHLRBOR-WMZOPIPTSA-N 1 3 363.506 0.942 20 0 FCADHO COC(=O)c1cn([C@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757604 1218517263 /nfs/dbraw/zinc/51/72/63/1218517263.db2.gz DVSUAIRUQHHLQW-GJZGRUSLSA-N 1 3 363.462 0.860 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000803995633 1218579923 /nfs/dbraw/zinc/57/99/23/1218579923.db2.gz JLJXSBSOMQHENE-DLBZAZTESA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001226323272 1225840259 /nfs/dbraw/zinc/84/02/59/1225840259.db2.gz KEBLLULNFRLYBI-KLHDSHLOSA-N 1 3 374.489 0.772 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001226323272 1225840261 /nfs/dbraw/zinc/84/02/61/1225840261.db2.gz KEBLLULNFRLYBI-KLHDSHLOSA-N 1 3 374.489 0.772 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226765869 1225854322 /nfs/dbraw/zinc/85/43/22/1225854322.db2.gz GASDCNMOFDHMAQ-RRFJBIMHSA-N 1 3 367.494 0.461 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001226765869 1225854324 /nfs/dbraw/zinc/85/43/24/1225854324.db2.gz GASDCNMOFDHMAQ-RRFJBIMHSA-N 1 3 367.494 0.461 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804049243 1219102301 /nfs/dbraw/zinc/10/23/01/1219102301.db2.gz CAQCTDQGYQBSKY-IRXDYDNUSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070195012 1219287194 /nfs/dbraw/zinc/28/71/94/1219287194.db2.gz ZTOLQYKVFCBRKB-XHSDSOJGSA-N 1 3 364.494 0.265 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[nH]1 ZINC001070354605 1219392636 /nfs/dbraw/zinc/39/26/36/1219392636.db2.gz RHSSQTLDOBRTFP-JLNYLFASSA-N 1 3 373.461 0.818 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)[n-]1 ZINC001070357333 1219395250 /nfs/dbraw/zinc/39/52/50/1219395250.db2.gz IJUOAXVDVWSZTC-ZNMIVQPWSA-N 1 3 364.494 0.777 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@H+]2CC)[n-]1 ZINC001070357333 1219395255 /nfs/dbraw/zinc/39/52/55/1219395255.db2.gz IJUOAXVDVWSZTC-ZNMIVQPWSA-N 1 3 364.494 0.777 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2NCc2cnn(C)c2)c1 ZINC001070563927 1219470879 /nfs/dbraw/zinc/47/08/79/1219470879.db2.gz LYLRUUHUROWKSJ-SOLBZPMBSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cnn(C)c2)c1 ZINC001070563927 1219470880 /nfs/dbraw/zinc/47/08/80/1219470880.db2.gz LYLRUUHUROWKSJ-SOLBZPMBSA-N 1 3 371.489 0.190 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001070563978 1219471613 /nfs/dbraw/zinc/47/16/13/1219471613.db2.gz OHWKTYJXCWCRBQ-YQQAZPJKSA-N 1 3 367.469 0.242 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670184 1219517609 /nfs/dbraw/zinc/51/76/09/1219517609.db2.gz CCIQYJHIVDSRQX-DVLQGMHPSA-N 1 3 359.474 0.187 20 0 FCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719319 1219541363 /nfs/dbraw/zinc/54/13/63/1219541363.db2.gz ZKUXISFJFMYVJX-DJIMGWMZSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719319 1219541367 /nfs/dbraw/zinc/54/13/67/1219541367.db2.gz ZKUXISFJFMYVJX-DJIMGWMZSA-N 1 3 371.489 0.190 20 0 FCADHO CC1CCN(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CC1 ZINC001071095578 1219605416 /nfs/dbraw/zinc/60/54/16/1219605416.db2.gz DHHVLYBROYXPPI-APWZRJJASA-N 1 3 366.506 0.189 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1cccnc1 ZINC001228366665 1225915512 /nfs/dbraw/zinc/91/55/12/1225915512.db2.gz VAIIXNCSKUEWQR-IAGOWNOFSA-N 1 3 361.490 0.667 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)CC1 ZINC001099008692 1219887883 /nfs/dbraw/zinc/88/78/83/1219887883.db2.gz LHHQSQVDWDJZED-PXNSSMCTSA-N 1 3 362.518 0.921 20 0 FCADHO CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1=O ZINC001099505240 1220016405 /nfs/dbraw/zinc/01/64/05/1220016405.db2.gz FLKOGUNQUVAGIO-GMBSWORKSA-N 1 3 359.474 0.791 20 0 FCADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C)C(=O)NC(N)=O ZINC001228647787 1225939896 /nfs/dbraw/zinc/93/98/96/1225939896.db2.gz ZJSOGNCSSWCCLB-BFHYXJOUSA-N 1 3 369.510 0.565 20 0 FCADHO COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305134 1220278641 /nfs/dbraw/zinc/27/86/41/1220278641.db2.gz GTACEGKZYBHGLS-FUPNPVLKSA-N 1 3 363.502 0.666 20 0 FCADHO COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305134 1220278646 /nfs/dbraw/zinc/27/86/46/1220278646.db2.gz GTACEGKZYBHGLS-FUPNPVLKSA-N 1 3 363.502 0.666 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429940 1220339633 /nfs/dbraw/zinc/33/96/33/1220339633.db2.gz HKTYGJJOBFJEHN-VPWXQRGCSA-N 1 3 362.518 0.635 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)C1 ZINC001101429940 1220339638 /nfs/dbraw/zinc/33/96/38/1220339638.db2.gz HKTYGJJOBFJEHN-VPWXQRGCSA-N 1 3 362.518 0.635 20 0 FCADHO CCCC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432289 1220341830 /nfs/dbraw/zinc/34/18/30/1220341830.db2.gz KQDJTNNJBAZYCE-GJYPPUQNSA-N 1 3 368.522 0.389 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440504 1220346646 /nfs/dbraw/zinc/34/66/46/1220346646.db2.gz OLNGVRWBASJZCO-AOIWGVFYSA-N 1 3 363.506 0.366 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101440504 1220346650 /nfs/dbraw/zinc/34/66/50/1220346650.db2.gz OLNGVRWBASJZCO-AOIWGVFYSA-N 1 3 363.506 0.366 20 0 FCADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214903 1220557836 /nfs/dbraw/zinc/55/78/36/1220557836.db2.gz FWRKRFKABCPJHF-KFWWJZLASA-N 1 3 364.490 0.350 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370157 1220595403 /nfs/dbraw/zinc/59/54/03/1220595403.db2.gz SLAPFRQWLCUPAY-LZLYRXPVSA-N 1 3 368.522 0.165 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370157 1220595407 /nfs/dbraw/zinc/59/54/07/1220595407.db2.gz SLAPFRQWLCUPAY-LZLYRXPVSA-N 1 3 368.522 0.165 20 0 FCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368526 1220597474 /nfs/dbraw/zinc/59/74/74/1220597474.db2.gz YCQIFWMEXKQHJG-OWCLPIDISA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368526 1220597482 /nfs/dbraw/zinc/59/74/82/1220597482.db2.gz YCQIFWMEXKQHJG-OWCLPIDISA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102510969 1220670575 /nfs/dbraw/zinc/67/05/75/1220670575.db2.gz DBOGOIBUAVJYQT-NVXWUHKLSA-N 1 3 368.522 0.117 20 0 FCADHO CCN(C(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1)C1CC1 ZINC001102513861 1220672696 /nfs/dbraw/zinc/67/26/96/1220672696.db2.gz DKZQTFNLTFJUCE-HZPDHXFCSA-N 1 3 368.522 0.260 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001229239058 1225992462 /nfs/dbraw/zinc/99/24/62/1225992462.db2.gz VZPOGGXHPMJQAG-HUUCEWRRSA-N 1 3 367.494 0.287 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993966 1220817526 /nfs/dbraw/zinc/81/75/26/1220817526.db2.gz NQYKESYUBNUIGG-QGPMSJSTSA-N 1 3 362.518 0.681 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083956 1220831073 /nfs/dbraw/zinc/83/10/73/1220831073.db2.gz QITBUNIUYUAFOJ-RBSFLKMASA-N 1 3 364.490 0.350 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083956 1220831075 /nfs/dbraw/zinc/83/10/75/1220831075.db2.gz QITBUNIUYUAFOJ-RBSFLKMASA-N 1 3 364.490 0.350 20 0 FCADHO COCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249903 1220856717 /nfs/dbraw/zinc/85/67/17/1220856717.db2.gz XBLDOZZNOKJXMF-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO COCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249903 1220856721 /nfs/dbraw/zinc/85/67/21/1220856721.db2.gz XBLDOZZNOKJXMF-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249420 1220856886 /nfs/dbraw/zinc/85/68/86/1220856886.db2.gz HFVIXBVOWJCMKZ-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103249420 1220856888 /nfs/dbraw/zinc/85/68/88/1220856888.db2.gz HFVIXBVOWJCMKZ-QUJXQBBWSA-N 1 3 365.518 0.960 20 0 FCADHO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CN(Cc3cnon3)C[C@H]2C)C1 ZINC001103365037 1220871213 /nfs/dbraw/zinc/87/12/13/1220871213.db2.gz RDCOIHCVAIDYQE-INMHGKMJSA-N 1 3 365.478 0.753 20 0 FCADHO CC(C)[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CN(Cc3cnon3)C[C@H]2C)C1 ZINC001103365037 1220871215 /nfs/dbraw/zinc/87/12/15/1220871215.db2.gz RDCOIHCVAIDYQE-INMHGKMJSA-N 1 3 365.478 0.753 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398123 1220877014 /nfs/dbraw/zinc/87/70/14/1220877014.db2.gz DLNIISMYUHAVSG-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001103448251 1220884678 /nfs/dbraw/zinc/88/46/78/1220884678.db2.gz CSSUFHUWQJECRL-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646965 1220926942 /nfs/dbraw/zinc/92/69/42/1220926942.db2.gz NTLMJLFPXAUIOB-IAGOWNOFSA-N 1 3 364.534 0.929 20 0 FCADHO CCn1nnc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710752 1226029569 /nfs/dbraw/zinc/02/95/69/1226029569.db2.gz SQMPRTLCKNBXPR-HZPDHXFCSA-N 1 3 366.510 0.702 20 0 FCADHO CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3CN(C)CCN3C)CC2)CC1 ZINC001116036498 1221331308 /nfs/dbraw/zinc/33/13/08/1221331308.db2.gz JQUPKWZABQCVBM-SFHVURJKSA-N 1 3 366.554 0.090 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001229868467 1226036766 /nfs/dbraw/zinc/03/67/66/1226036766.db2.gz IFLSLVWLHLHLJH-GVDBMIGSSA-N 1 3 368.522 0.593 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229860476 1226036815 /nfs/dbraw/zinc/03/68/15/1226036815.db2.gz ULVYQRMRAXYHHX-HUUCEWRRSA-N 1 3 369.510 0.581 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001117311822 1221514778 /nfs/dbraw/zinc/51/47/78/1221514778.db2.gz OXONFOVVFRGRHW-SJORKVTESA-N 1 3 367.538 0.119 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119352463 1221903917 /nfs/dbraw/zinc/90/39/17/1221903917.db2.gz MBGRYUNJEFNYTB-RDJZCZTQSA-N 1 3 361.490 0.748 20 0 FCADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)c2)CC1 ZINC001120376894 1222074240 /nfs/dbraw/zinc/07/42/40/1222074240.db2.gz NQNCBLWCBVVOFD-UXHICEINSA-N 1 3 363.502 0.426 20 0 FCADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)c2)CC1 ZINC001120376896 1222074638 /nfs/dbraw/zinc/07/46/38/1222074638.db2.gz NQNCBLWCBVVOFD-WOJBJXKFSA-N 1 3 363.502 0.426 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122009541 1222233382 /nfs/dbraw/zinc/23/33/82/1222233382.db2.gz TUARIFJIALKFKF-LJQANCHMSA-N 1 3 359.518 0.344 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000841178281 1222811853 /nfs/dbraw/zinc/81/18/53/1222811853.db2.gz FGZHGRDMQGQNLI-YJBOKZPZSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841185861 1222812330 /nfs/dbraw/zinc/81/23/30/1222812330.db2.gz AANYNSBDEZYALI-QGZVFWFLSA-N 1 3 359.474 0.717 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842274686 1222846285 /nfs/dbraw/zinc/84/62/85/1222846285.db2.gz YGDXDDJQYKLIHM-QZTJIDSGSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992451 1223064804 /nfs/dbraw/zinc/06/48/04/1223064804.db2.gz LETDHLIBCXHKTI-ZVDOUQERSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992451 1223064808 /nfs/dbraw/zinc/06/48/08/1223064808.db2.gz LETDHLIBCXHKTI-ZVDOUQERSA-N 1 3 373.497 0.681 20 0 FCADHO CN1CCN(c2nccc(N3CCN(CC4CC[NH+](C)CC4)CC3)n2)CC1 ZINC001157848015 1223082707 /nfs/dbraw/zinc/08/27/07/1223082707.db2.gz NBOCYBBKILYKHN-UHFFFAOYSA-N 1 3 373.549 0.692 20 0 FCADHO CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[C@@](C)(CO)C1 ZINC001157926516 1223084268 /nfs/dbraw/zinc/08/42/68/1223084268.db2.gz QBXMGBAHKKOELL-YZVOILCLSA-N 1 3 368.522 0.443 20 0 FCADHO [NH3+][C@H]1CCN(C2CCN(c3ncccc3C(=O)N3CCNCC3)CC2)C1 ZINC001158260633 1223092253 /nfs/dbraw/zinc/09/22/53/1223092253.db2.gz GNNVLXSOXTXMRF-HNNXBMFYSA-N 1 3 358.490 0.129 20 0 FCADHO COc1cccc([C@H](N)CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001158277141 1223093295 /nfs/dbraw/zinc/09/32/95/1223093295.db2.gz JUSCDLBAVPNGMR-MRXNPFEDSA-N 1 3 370.457 0.798 20 0 FCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1 ZINC001158534891 1223101806 /nfs/dbraw/zinc/10/18/06/1223101806.db2.gz VHHCLZCIJGVFBY-ZNWBIBPKSA-N 1 3 359.470 0.935 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555946 1223102105 /nfs/dbraw/zinc/10/21/05/1223102105.db2.gz QKJXIXUKVOTDPP-DKXUYOFUSA-N 1 3 370.497 0.930 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C1=O ZINC001158556006 1223102482 /nfs/dbraw/zinc/10/24/82/1223102482.db2.gz RLMDOEZCURARND-LQWHRVPQSA-N 1 3 370.497 0.932 20 0 FCADHO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COC(C)(C)C ZINC001158629070 1223102763 /nfs/dbraw/zinc/10/27/63/1223102763.db2.gz BMOIYBHAOXPNIM-FZKCQIBNSA-N 1 3 368.522 0.671 20 0 FCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COC(C)(C)C ZINC001158629070 1223102765 /nfs/dbraw/zinc/10/27/65/1223102765.db2.gz BMOIYBHAOXPNIM-FZKCQIBNSA-N 1 3 368.522 0.671 20 0 FCADHO CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001158698966 1223105478 /nfs/dbraw/zinc/10/54/78/1223105478.db2.gz WDUKGRQUVZJAFB-HNNXBMFYSA-N 1 3 360.506 0.219 20 0 FCADHO Cn1ncc2c1CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]2COc1cccnc1 ZINC001158842933 1223111094 /nfs/dbraw/zinc/11/10/94/1223111094.db2.gz PPXNMTOGWFGBND-PBHICJAKSA-N 1 3 372.473 0.776 20 0 FCADHO N[C@H](C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935673 1223113431 /nfs/dbraw/zinc/11/34/31/1223113431.db2.gz YYTUKYNTDXWGFN-JZXOWHBKSA-N 1 3 357.458 0.110 20 0 FCADHO CC(C)Oc1ncnc2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001158959087 1223113961 /nfs/dbraw/zinc/11/39/61/1223113961.db2.gz OUXDJCIMWMRRJP-AUUYWEPGSA-N 1 3 359.474 0.390 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135064 1223118718 /nfs/dbraw/zinc/11/87/18/1223118718.db2.gz RCNDRVRAXJIYQT-VQIMIIECSA-N 1 3 359.474 0.631 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159330214 1223124555 /nfs/dbraw/zinc/12/45/55/1223124555.db2.gz PTRSWQUUIVTIJL-HIFRSBDPSA-N 1 3 366.437 0.816 20 0 FCADHO N[C@H](C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585327 1223130491 /nfs/dbraw/zinc/13/04/91/1223130491.db2.gz PXJLTZKBSVLRNK-QAPCUYQASA-N 1 3 361.490 0.595 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159600694 1223130935 /nfs/dbraw/zinc/13/09/35/1223130935.db2.gz WSPYMOCWMFICBG-YYIAUSFCSA-N 1 3 366.506 0.188 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159608180 1223131448 /nfs/dbraw/zinc/13/14/48/1223131448.db2.gz GJOAKUFOYFZCJM-OCCSQVGLSA-N 1 3 362.478 0.375 20 0 FCADHO O=C(C1CC2(C[NH2+]C2)C1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667535 1223132750 /nfs/dbraw/zinc/13/27/50/1223132750.db2.gz UXMGBROWSYVKOL-QZTJIDSGSA-N 1 3 356.470 0.883 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159664059 1223132756 /nfs/dbraw/zinc/13/27/56/1223132756.db2.gz VILDWLXITAXYOJ-IIAWOOMASA-N 1 3 364.446 0.035 20 0 FCADHO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H](N)C4CC[NH2+]CC4)C[C@@H]32)C1=O ZINC001159687933 1223134025 /nfs/dbraw/zinc/13/40/25/1223134025.db2.gz LWOLSOLHCZFBJA-PASDCYSWSA-N 1 3 361.490 0.201 20 0 FCADHO C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159696270 1223134058 /nfs/dbraw/zinc/13/40/58/1223134058.db2.gz ITVGZYXBQWSSFD-AKCHCHLHSA-N 1 3 373.501 0.912 20 0 FCADHO N[C@H](C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)C1CC[NH2+]CC1 ZINC001159905323 1223139546 /nfs/dbraw/zinc/13/95/46/1223139546.db2.gz LVIZRRUEMXETFJ-AOIWGVFYSA-N 1 3 360.458 0.547 20 0 FCADHO N[C@@H](C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21)C1CC[NH2+]CC1 ZINC001160025891 1223142860 /nfs/dbraw/zinc/14/28/60/1223142860.db2.gz FEQQLQBKJYXLNM-WCXIOVBPSA-N 1 3 364.490 0.084 20 0 FCADHO N[C@H](C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O)C1CC[NH2+]CC1 ZINC001160156145 1223147239 /nfs/dbraw/zinc/14/72/39/1223147239.db2.gz OBONQPAWAONUDO-SFHVURJKSA-N 1 3 370.497 0.795 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160229840 1223150881 /nfs/dbraw/zinc/15/08/81/1223150881.db2.gz DEPKVUOSZRWESC-XJKSGUPXSA-N 1 3 368.432 0.607 20 0 FCADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CCC2 ZINC001160324403 1223155143 /nfs/dbraw/zinc/15/51/43/1223155143.db2.gz UYRXABSZMCNPMV-OAHLLOKOSA-N 1 3 374.489 0.126 20 0 FCADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CCC2 ZINC001160324403 1223155145 /nfs/dbraw/zinc/15/51/45/1223155145.db2.gz UYRXABSZMCNPMV-OAHLLOKOSA-N 1 3 374.489 0.126 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160354103 1223155778 /nfs/dbraw/zinc/15/57/78/1223155778.db2.gz SAOHFOFTFMXGSG-AWEZNQCLSA-N 1 3 372.429 0.663 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(CCc2ccncc2)CC1 ZINC001160490634 1223162685 /nfs/dbraw/zinc/16/26/85/1223162685.db2.gz VLSIRVSRNJSHRY-SFHVURJKSA-N 1 3 357.502 0.643 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(CCc2ccncc2)CC1 ZINC001160490634 1223162687 /nfs/dbraw/zinc/16/26/87/1223162687.db2.gz VLSIRVSRNJSHRY-SFHVURJKSA-N 1 3 357.502 0.643 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160840425 1223177076 /nfs/dbraw/zinc/17/70/76/1223177076.db2.gz WDVQKMGTQNOYGX-HNNXBMFYSA-N 1 3 361.494 0.182 20 0 FCADHO CO[C@H](CN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1)c1ccccc1 ZINC001160904454 1223180167 /nfs/dbraw/zinc/18/01/67/1223180167.db2.gz GJYAZLGVERONRY-ZWKOTPCHSA-N 1 3 358.486 0.327 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H](N)c1cccc(OC)c1)CC2 ZINC001161480224 1223201044 /nfs/dbraw/zinc/20/10/44/1223201044.db2.gz OGKBLUCQPHZDDQ-GPMSIDNRSA-N 1 3 361.442 0.839 20 0 FCADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001161602206 1223205755 /nfs/dbraw/zinc/20/57/55/1223205755.db2.gz URJCTNUQCYLDLI-CYBMUJFWSA-N 1 3 361.446 0.313 20 0 FCADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001161602206 1223205756 /nfs/dbraw/zinc/20/57/56/1223205756.db2.gz URJCTNUQCYLDLI-CYBMUJFWSA-N 1 3 361.446 0.313 20 0 FCADHO CCC(CC)[C@@H](Nc1cc(CN)ncn1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001161917603 1223209077 /nfs/dbraw/zinc/20/90/77/1223209077.db2.gz LHWGQEGCVSPXPL-IHWGESPNSA-N 1 3 365.478 0.649 20 0 FCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1-n1nccc1C[NH3+] ZINC001162590869 1223218168 /nfs/dbraw/zinc/21/81/68/1223218168.db2.gz GNPXGKIIDWYXGF-CYBMUJFWSA-N 1 3 361.446 0.832 20 0 FCADHO C[C@H](NCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001162809972 1223220180 /nfs/dbraw/zinc/22/01/80/1223220180.db2.gz ALLLWVGMNBPAAJ-LZLYRXPVSA-N 1 3 360.502 0.861 20 0 FCADHO C[C@H](NCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001162809972 1223220181 /nfs/dbraw/zinc/22/01/81/1223220181.db2.gz ALLLWVGMNBPAAJ-LZLYRXPVSA-N 1 3 360.502 0.861 20 0 FCADHO CC[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001205433072 1223323322 /nfs/dbraw/zinc/32/33/22/1223323322.db2.gz YCJMJRZDSUKPLG-YESZJQIVSA-N 1 3 364.465 0.925 20 0 FCADHO CCOCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001205511897 1223329430 /nfs/dbraw/zinc/32/94/30/1223329430.db2.gz MANJPBHPAPSDDR-DLBZAZTESA-N 1 3 362.474 0.928 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609705 1223562163 /nfs/dbraw/zinc/56/21/63/1223562163.db2.gz WBYFYIOLDJWRRD-QBPKDAKJSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609705 1223562171 /nfs/dbraw/zinc/56/21/71/1223562171.db2.gz WBYFYIOLDJWRRD-QBPKDAKJSA-N 1 3 361.490 0.724 20 0 FCADHO CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328829 1223785288 /nfs/dbraw/zinc/78/52/88/1223785288.db2.gz CAIKKRLOHUXDKW-KURKYZTESA-N 1 3 371.522 0.728 20 0 FCADHO CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328829 1223785292 /nfs/dbraw/zinc/78/52/92/1223785292.db2.gz CAIKKRLOHUXDKW-KURKYZTESA-N 1 3 371.522 0.728 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CCCC1 ZINC001213730174 1223840087 /nfs/dbraw/zinc/84/00/87/1223840087.db2.gz HBYSVODCLSQNBR-KZNAEPCWSA-N 1 3 371.522 0.585 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214598698 1223924630 /nfs/dbraw/zinc/92/46/30/1223924630.db2.gz ZQQNMTWZNUISPT-ZACQAIPSSA-N 1 3 368.522 0.448 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214598698 1223924633 /nfs/dbraw/zinc/92/46/33/1223924633.db2.gz ZQQNMTWZNUISPT-ZACQAIPSSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001214855288 1223948689 /nfs/dbraw/zinc/94/86/89/1223948689.db2.gz BKHGXIRZLBSNRG-BPLDGKMQSA-N 1 3 365.478 0.025 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001214855288 1223948690 /nfs/dbraw/zinc/94/86/90/1223948690.db2.gz BKHGXIRZLBSNRG-BPLDGKMQSA-N 1 3 365.478 0.025 20 0 FCADHO CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214954600 1223959107 /nfs/dbraw/zinc/95/91/07/1223959107.db2.gz AXNCEDFEDGISLA-RBSFLKMASA-N 1 3 369.510 0.389 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015013 1223964487 /nfs/dbraw/zinc/96/44/87/1223964487.db2.gz BPTIXGVHAZPDOL-NVXWUHKLSA-N 1 3 361.490 0.871 20 0 FCADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215228181 1223983565 /nfs/dbraw/zinc/98/35/65/1223983565.db2.gz CJNNHHNGOQZSIN-UKRRQHHQSA-N 1 3 367.494 0.272 20 0 FCADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215228181 1223983566 /nfs/dbraw/zinc/98/35/66/1223983566.db2.gz CJNNHHNGOQZSIN-UKRRQHHQSA-N 1 3 367.494 0.272 20 0 FCADHO COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414319 1223998416 /nfs/dbraw/zinc/99/84/16/1223998416.db2.gz TUSAKQKDTYEORQ-BZUAXINKSA-N 1 3 368.522 0.306 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)cc1=O ZINC001215414084 1223998500 /nfs/dbraw/zinc/99/85/00/1223998500.db2.gz RMIMYKVAQGVMAV-UKRRQHHQSA-N 1 3 363.458 0.927 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423355 1223999156 /nfs/dbraw/zinc/99/91/56/1223999156.db2.gz IPUOAHJGHUJMJM-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215539920 1224005137 /nfs/dbraw/zinc/00/51/37/1224005137.db2.gz CPUZBCREBBRMEY-ZMSDIMECSA-N 1 3 362.474 0.674 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215541025 1224005182 /nfs/dbraw/zinc/00/51/82/1224005182.db2.gz VEWGCMCSWSIJES-ARFHVFGLSA-N 1 3 367.538 0.862 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)C1)N(C)C ZINC001215571321 1224007030 /nfs/dbraw/zinc/00/70/30/1224007030.db2.gz KHTDNVGDBBMEKI-KFWWJZLASA-N 1 3 369.510 0.245 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216090178 1224033720 /nfs/dbraw/zinc/03/37/20/1224033720.db2.gz BLWURKSEGCRBPR-RHSMWYFYSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC001216754168 1224068289 /nfs/dbraw/zinc/06/82/89/1224068289.db2.gz JSQTXJUHLJIDSG-XOKHGSTOSA-N 1 3 362.518 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC001216754168 1224068290 /nfs/dbraw/zinc/06/82/90/1224068290.db2.gz JSQTXJUHLJIDSG-XOKHGSTOSA-N 1 3 362.518 0.679 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216845137 1224078507 /nfs/dbraw/zinc/07/85/07/1224078507.db2.gz YVINXGDHZVDHSZ-KFWWJZLASA-N 1 3 367.494 0.143 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986769979 1248992376 /nfs/dbraw/zinc/99/23/76/1248992376.db2.gz DKLIOCPUJTVLBJ-XHSDSOJGSA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)C1 ZINC000986769979 1248992380 /nfs/dbraw/zinc/99/23/80/1248992380.db2.gz DKLIOCPUJTVLBJ-XHSDSOJGSA-N 1 3 359.474 0.601 20 0 FCADHO C[C@@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601465 1245456489 /nfs/dbraw/zinc/45/64/89/1245456489.db2.gz GABROYUMPHYTQA-DLBZAZTESA-N 1 3 367.538 0.328 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911515676 1245502902 /nfs/dbraw/zinc/50/29/02/1245502902.db2.gz DIUJMVPTNNSFLY-QZTJIDSGSA-N 1 3 358.486 0.918 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000943602339 1247366654 /nfs/dbraw/zinc/36/66/54/1247366654.db2.gz ZJIDXVPKJMRCLQ-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943602339 1247366662 /nfs/dbraw/zinc/36/66/62/1247366662.db2.gz ZJIDXVPKJMRCLQ-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC001327830392 1265437247 /nfs/dbraw/zinc/43/72/47/1265437247.db2.gz QNJSUYNOJSOVGY-YESZJQIVSA-N 1 3 362.478 0.110 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000972737953 1248127513 /nfs/dbraw/zinc/12/75/13/1248127513.db2.gz MXQJHZJSEIBGDD-JOCBIADPSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)CC[N@H+]1C ZINC000972737953 1248127533 /nfs/dbraw/zinc/12/75/33/1248127533.db2.gz MXQJHZJSEIBGDD-JOCBIADPSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C ZINC000976944705 1248481818 /nfs/dbraw/zinc/48/18/18/1248481818.db2.gz IVUIBXYYIBJFLB-MTSZKFMLSA-N 1 3 362.518 0.774 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1C ZINC000976944705 1248481822 /nfs/dbraw/zinc/48/18/22/1248481822.db2.gz IVUIBXYYIBJFLB-MTSZKFMLSA-N 1 3 362.518 0.774 20 0 FCADHO CCN1CCN(CCCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC001328143116 1265490544 /nfs/dbraw/zinc/49/05/44/1265490544.db2.gz OFCXHBJKZFUBTM-UHFFFAOYSA-N 1 3 363.510 0.268 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994315899 1250367890 /nfs/dbraw/zinc/36/78/90/1250367890.db2.gz SBXFAMGEARDJNY-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)C[NH2+]C[C@@H]3CCCO3)c2)CC1 ZINC001328581779 1265582961 /nfs/dbraw/zinc/58/29/61/1265582961.db2.gz WFUYVEQYCRARBB-IBGZPJMESA-N 1 3 360.502 0.819 20 0 FCADHO O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950204 1252748894 /nfs/dbraw/zinc/74/88/94/1252748894.db2.gz WGQLBIKMRSLQME-TWMKSMIVSA-N 1 3 357.458 0.542 20 0 FCADHO CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001004395184 1253313298 /nfs/dbraw/zinc/31/32/98/1253313298.db2.gz NBNJFSPHOGZQCT-WCXIOVBPSA-N 1 3 360.502 0.671 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059732553 1254112926 /nfs/dbraw/zinc/11/29/26/1254112926.db2.gz SRJVJYCDSOLDMW-BZUAXINKSA-N 1 3 361.490 0.956 20 0 FCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059732553 1254112933 /nfs/dbraw/zinc/11/29/33/1254112933.db2.gz SRJVJYCDSOLDMW-BZUAXINKSA-N 1 3 361.490 0.956 20 0 FCADHO CC(=O)N(C(=O)C(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329785702 1265844985 /nfs/dbraw/zinc/84/49/85/1265844985.db2.gz PJVVLBCAQFMFEM-QAPCUYQASA-N 1 3 370.453 0.374 20 0 FCADHO Cn1nnc2c1C[C@@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC001329958306 1265906654 /nfs/dbraw/zinc/90/66/54/1265906654.db2.gz ZTZBGQBHBXWCDS-AWEZNQCLSA-N 1 3 360.506 0.595 20 0 FCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680364 1254868071 /nfs/dbraw/zinc/86/80/71/1254868071.db2.gz CDHMFFLOEKLYGB-GPMSIDNRSA-N 1 3 371.497 0.787 20 0 FCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680364 1254868086 /nfs/dbraw/zinc/86/80/86/1254868086.db2.gz CDHMFFLOEKLYGB-GPMSIDNRSA-N 1 3 371.497 0.787 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077974968 1255139604 /nfs/dbraw/zinc/13/96/04/1255139604.db2.gz BSYUUYINYBOKJN-GUDVDZBRSA-N 1 3 365.518 0.839 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001078227140 1255340322 /nfs/dbraw/zinc/34/03/22/1255340322.db2.gz KXSHQPNZTUVNPK-KFKAGJAMSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001078227140 1255340331 /nfs/dbraw/zinc/34/03/31/1255340331.db2.gz KXSHQPNZTUVNPK-KFKAGJAMSA-N 1 3 361.486 0.950 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001078404203 1255408827 /nfs/dbraw/zinc/40/88/27/1255408827.db2.gz UZQMTFALGWZZKD-OKZBNKHCSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001078404203 1255408829 /nfs/dbraw/zinc/40/88/29/1255408829.db2.gz UZQMTFALGWZZKD-OKZBNKHCSA-N 1 3 363.506 0.858 20 0 FCADHO COC[C@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263213 1255493165 /nfs/dbraw/zinc/49/31/65/1255493165.db2.gz NZIIWZFDIAGENQ-BHYGNILZSA-N 1 3 362.474 0.927 20 0 FCADHO CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080935213 1256103351 /nfs/dbraw/zinc/10/33/51/1256103351.db2.gz NNCKJLHLNYCYJU-ZTFGCOKTSA-N 1 3 358.486 0.934 20 0 FCADHO CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080935213 1256103356 /nfs/dbraw/zinc/10/33/56/1256103356.db2.gz NNCKJLHLNYCYJU-ZTFGCOKTSA-N 1 3 358.486 0.934 20 0 FCADHO O=C(N1C[C@@H](c2ccccc2)[C@H](N[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001081215933 1256208825 /nfs/dbraw/zinc/20/88/25/1256208825.db2.gz XNKVKJWZGJOXGI-OKZBNKHCSA-N 1 3 368.481 0.555 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCc1ccnn1C ZINC001082517846 1256801401 /nfs/dbraw/zinc/80/14/01/1256801401.db2.gz JRWHPKFEQXDASS-RHSMWYFYSA-N 1 3 359.478 0.429 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082653373 1256957922 /nfs/dbraw/zinc/95/79/22/1256957922.db2.gz HWKNJUIURWOZBW-LVPSCPSHSA-N 1 3 356.470 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082681700 1256983182 /nfs/dbraw/zinc/98/31/82/1256983182.db2.gz MYCBXIBJZMVOPN-HZPDHXFCSA-N 1 3 366.506 0.156 20 0 FCADHO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@H]2C)on1 ZINC001082703182 1256995374 /nfs/dbraw/zinc/99/53/74/1256995374.db2.gz BWAJOYNBLMEGKO-FVQBIDKESA-N 1 3 366.462 0.729 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC001082719814 1257010006 /nfs/dbraw/zinc/01/00/06/1257010006.db2.gz OFBIYRWJROOCLC-FHLIZLRMSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082744246 1257025459 /nfs/dbraw/zinc/02/54/59/1257025459.db2.gz ZTGSJSXLFFMFQQ-BZUAXINKSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCCC[C@H]1C ZINC001082863096 1257113939 /nfs/dbraw/zinc/11/39/39/1257113939.db2.gz KWCBIOPWKIBINL-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088062 1257911484 /nfs/dbraw/zinc/91/14/84/1257911484.db2.gz OHOWREUGESYNEL-IPELMVKDSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001084088062 1257911486 /nfs/dbraw/zinc/91/14/86/1257911486.db2.gz OHOWREUGESYNEL-IPELMVKDSA-N 1 3 361.486 0.950 20 0 FCADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)CC1 ZINC001085022460 1258529819 /nfs/dbraw/zinc/52/98/19/1258529819.db2.gz JAISUAJGIOISRF-WBVHZDCISA-N 1 3 363.506 0.276 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)N(C)C ZINC001106633154 1258930446 /nfs/dbraw/zinc/93/04/46/1258930446.db2.gz AZMGWFRWFNVJAI-CKEIUWERSA-N 1 3 365.478 0.883 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106666549 1258936979 /nfs/dbraw/zinc/93/69/79/1258936979.db2.gz NYHICNKHCNMGQG-SPYBWZPUSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)C1 ZINC001106666773 1258937190 /nfs/dbraw/zinc/93/71/90/1258937190.db2.gz ULFZAKVPVAAENT-BZUAXINKSA-N 1 3 364.490 0.161 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665452 1258937367 /nfs/dbraw/zinc/93/73/67/1258937367.db2.gz XAVPQECDAGFKMD-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001106779767 1258961558 /nfs/dbraw/zinc/96/15/58/1258961558.db2.gz VJUXUYBWNCSNMA-UKRRQHHQSA-N 1 3 365.478 0.947 20 0 FCADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2)N(C)C ZINC001107451563 1259091738 /nfs/dbraw/zinc/09/17/38/1259091738.db2.gz XAQKMTLVEOHUDU-GPMSIDNRSA-N 1 3 365.522 0.713 20 0 FCADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2)N(C)C ZINC001107451563 1259091747 /nfs/dbraw/zinc/09/17/47/1259091747.db2.gz XAQKMTLVEOHUDU-GPMSIDNRSA-N 1 3 365.522 0.713 20 0 FCADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107583259 1259125279 /nfs/dbraw/zinc/12/52/79/1259125279.db2.gz SRWXXCJFZKPZEX-VQIMIIECSA-N 1 3 365.522 0.714 20 0 FCADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107583259 1259125283 /nfs/dbraw/zinc/12/52/83/1259125283.db2.gz SRWXXCJFZKPZEX-VQIMIIECSA-N 1 3 365.522 0.714 20 0 FCADHO Cn1cncc1CN1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609349 1259132691 /nfs/dbraw/zinc/13/26/91/1259132691.db2.gz OPJMAKBQPAOKRU-IEBWSBKVSA-N 1 3 363.506 0.859 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644062 1259183126 /nfs/dbraw/zinc/18/31/26/1259183126.db2.gz STCXFYQUKLXMCR-IIAWOOMASA-N 1 3 364.465 0.876 20 0 FCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC001127644062 1259183131 /nfs/dbraw/zinc/18/31/31/1259183131.db2.gz STCXFYQUKLXMCR-IIAWOOMASA-N 1 3 364.465 0.876 20 0 FCADHO CN1CCC([N@@H+]2CC[C@@H](NCc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC001200345590 1259415426 /nfs/dbraw/zinc/41/54/26/1259415426.db2.gz IIWYTTUBWPMBCH-QGZVFWFLSA-N 1 3 355.490 0.980 20 0 FCADHO CN1CCC([N@H+]2CC[C@@H](NCc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC001200345590 1259415428 /nfs/dbraw/zinc/41/54/28/1259415428.db2.gz IIWYTTUBWPMBCH-QGZVFWFLSA-N 1 3 355.490 0.980 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215536102 1259534522 /nfs/dbraw/zinc/53/45/22/1259534522.db2.gz IKGLQCVCZADEII-HLLBOEOZSA-N 1 3 366.506 0.202 20 0 FCADHO CC1(C)[NH2+]C[C@@H](CN2CCCn3c(=O)cc(CN4CCCC4)nc3C2)O1 ZINC001235629179 1259581164 /nfs/dbraw/zinc/58/11/64/1259581164.db2.gz PGHYZDYOWQLKEQ-INIZCTEOSA-N 1 3 361.490 0.769 20 0 FCADHO COC(=O)c1cnc(CN2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cn1 ZINC001236029203 1259587856 /nfs/dbraw/zinc/58/78/56/1259587856.db2.gz JZWQUVKZAFHAKX-KEIZMWOVSA-N 1 3 360.414 0.094 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1=O ZINC001335369734 1259629177 /nfs/dbraw/zinc/62/91/77/1259629177.db2.gz HOCZGQLZNJWLST-MWDXBVQZSA-N 1 3 350.507 0.585 20 0 FCADHO CC(C)(C)OC(=O)[C@@H](N)CC[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246000639 1259643097 /nfs/dbraw/zinc/64/30/97/1259643097.db2.gz NNWPJRMMFOWQHN-HRCADAONSA-N 1 3 373.444 0.844 20 0 FCADHO CCOC(=O)C1=C(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CCNC1 ZINC001245991836 1259643740 /nfs/dbraw/zinc/64/37/40/1259643740.db2.gz AUDDRZWLNZQTLA-DOTOQJQBSA-N 1 3 369.412 0.596 20 0 FCADHO CNC(=O)[C@]12C[N@@H+]([C@H]3CCN[C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733010 1259672524 /nfs/dbraw/zinc/67/25/24/1259672524.db2.gz CPGWSPWJAUNENH-YYAJDYIMSA-N 1 3 358.490 0.634 20 0 FCADHO CNC(=O)[C@]12C[N@H+]([C@H]3CCN[C@H](C)C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246733010 1259672529 /nfs/dbraw/zinc/67/25/29/1259672529.db2.gz CPGWSPWJAUNENH-YYAJDYIMSA-N 1 3 358.490 0.634 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745168 1259677072 /nfs/dbraw/zinc/67/70/72/1259677072.db2.gz MQYPUTBDAMGKGK-AXVVYFOYSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745168 1259677080 /nfs/dbraw/zinc/67/70/80/1259677080.db2.gz MQYPUTBDAMGKGK-AXVVYFOYSA-N 1 3 372.517 0.976 20 0 FCADHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1=O ZINC001335498704 1259687835 /nfs/dbraw/zinc/68/78/35/1259687835.db2.gz QWPFASLNGDGYOU-DLBZAZTESA-N 1 3 353.438 0.628 20 0 FCADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H](O)CN3CCOCC3)c2)CC1 ZINC001251035868 1259734292 /nfs/dbraw/zinc/73/42/92/1259734292.db2.gz PZCAEPWKMKWFQV-FQEVSTJZSA-N 1 3 362.518 0.217 20 0 FCADHO CC(C)N1CCN(CC[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453595 1259748269 /nfs/dbraw/zinc/74/82/69/1259748269.db2.gz QPLCVIHMNJCNCJ-LJQANCHMSA-N 1 3 370.538 0.974 20 0 FCADHO O=C1NC(=O)C2(CCN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931855 1259813586 /nfs/dbraw/zinc/81/35/86/1259813586.db2.gz OEKIYSUXHNSOAC-GOSISDBHSA-N 1 3 358.442 0.297 20 0 FCADHO O=C1NC(=O)C2(CCN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001252931855 1259813594 /nfs/dbraw/zinc/81/35/94/1259813594.db2.gz OEKIYSUXHNSOAC-GOSISDBHSA-N 1 3 358.442 0.297 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001253186096 1259829212 /nfs/dbraw/zinc/82/92/12/1259829212.db2.gz WLHRGOBXXKXJQX-SJORKVTESA-N 1 3 370.538 0.831 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC001253448540 1259839234 /nfs/dbraw/zinc/83/92/34/1259839234.db2.gz OERXCMROSFPLDU-KRWDZBQOSA-N 1 3 365.518 0.987 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC001253448540 1259839241 /nfs/dbraw/zinc/83/92/41/1259839241.db2.gz OERXCMROSFPLDU-KRWDZBQOSA-N 1 3 365.518 0.987 20 0 FCADHO Cn1nnc2c1CCN([C@@H]1CCCN(C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001255490560 1259915885 /nfs/dbraw/zinc/91/58/85/1259915885.db2.gz UGXIINJBSLQNOC-SJLPKXTDSA-N 1 3 362.522 0.921 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336273843 1260064609 /nfs/dbraw/zinc/06/46/09/1260064609.db2.gz VFPKWXWNOBKXEE-JKSUJKDBSA-N 1 3 351.495 0.467 20 0 FCADHO CN(C(=O)CN1CCC(CO)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001337128519 1260317072 /nfs/dbraw/zinc/31/70/72/1260317072.db2.gz YXEVJKLTEPBXMX-GOSISDBHSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C(=O)CN1CCC(CO)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001337128519 1260317081 /nfs/dbraw/zinc/31/70/81/1260317081.db2.gz YXEVJKLTEPBXMX-GOSISDBHSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C(=O)CN1CCC(CO)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001337128519 1260317091 /nfs/dbraw/zinc/31/70/91/1260317091.db2.gz YXEVJKLTEPBXMX-GOSISDBHSA-N 1 3 352.523 0.318 20 0 FCADHO CN1CCN(CC(=O)N2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)CC1 ZINC001272867141 1260519746 /nfs/dbraw/zinc/51/97/46/1260519746.db2.gz CSTXFQSGPPGJSA-HXUWFJFHSA-N 1 3 365.566 0.500 20 0 FCADHO C[NH+]1CCC(CCN2CC3(C2)CN(C(=O)Cn2cccnc2=O)C3)CC1 ZINC001279636699 1260905724 /nfs/dbraw/zinc/90/57/24/1260905724.db2.gz QKLIMWQKKHKNEG-UHFFFAOYSA-N 1 3 359.474 0.119 20 0 FCADHO O=C(CN1CCC[C@@]2(C1)C[N@H+](CCn1ccnc1)CCO2)N1CCCC1 ZINC001280033986 1260981331 /nfs/dbraw/zinc/98/13/31/1260981331.db2.gz VPCWDZULNZOLOU-IBGZPJMESA-N 1 3 361.490 0.672 20 0 FCADHO O=C(CN1CCC[C@@]2(C1)C[N@@H+](CCn1ccnc1)CCO2)N1CCCC1 ZINC001280033986 1260981336 /nfs/dbraw/zinc/98/13/36/1260981336.db2.gz VPCWDZULNZOLOU-IBGZPJMESA-N 1 3 361.490 0.672 20 0 FCADHO C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3CN(Cc4cnc[nH]4)C[C@@H]3O2)CC1 ZINC001280341985 1261059550 /nfs/dbraw/zinc/05/95/50/1261059550.db2.gz SMGCYYATUIJRON-OLMNPRSZSA-N 1 3 361.490 0.942 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1)N(C)C ZINC001282305391 1261410252 /nfs/dbraw/zinc/41/02/52/1261410252.db2.gz WXRYVERYGGXQLC-IKGGRYGDSA-N 1 3 364.534 0.975 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@@H]1O ZINC001289696805 1262312607 /nfs/dbraw/zinc/31/26/07/1262312607.db2.gz UQSZRMZTBBDOLU-ZACQAIPSSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@@H]1O ZINC001289696805 1262312612 /nfs/dbraw/zinc/31/26/12/1262312612.db2.gz UQSZRMZTBBDOLU-ZACQAIPSSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001290527895 1262464194 /nfs/dbraw/zinc/46/41/94/1262464194.db2.gz LZVQSRJEYKFQNE-ZACQAIPSSA-N 1 3 350.507 0.587 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001290527895 1262464197 /nfs/dbraw/zinc/46/41/97/1262464197.db2.gz LZVQSRJEYKFQNE-ZACQAIPSSA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001312142002 1263273822 /nfs/dbraw/zinc/27/38/22/1263273822.db2.gz VSVFVRFJWNHQFH-KRWDZBQOSA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312142002 1263273828 /nfs/dbraw/zinc/27/38/28/1263273828.db2.gz VSVFVRFJWNHQFH-KRWDZBQOSA-N 1 3 367.538 0.912 20 0 FCADHO Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317394212 1263510065 /nfs/dbraw/zinc/51/00/65/1263510065.db2.gz YRDIMQLFWXGMOI-NILFDRSVSA-N 1 3 364.494 0.790 20 0 FCADHO Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317394212 1263510070 /nfs/dbraw/zinc/51/00/70/1263510070.db2.gz YRDIMQLFWXGMOI-NILFDRSVSA-N 1 3 364.494 0.790 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@@H+]1C ZINC001580389348 1278216368 /nfs/dbraw/zinc/21/63/68/1278216368.db2.gz BMOWDFINLXIJJL-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@H+]1C ZINC001580389348 1278216385 /nfs/dbraw/zinc/21/63/85/1278216385.db2.gz BMOWDFINLXIJJL-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@@H+]1C ZINC001580389348 1278216399 /nfs/dbraw/zinc/21/63/99/1278216399.db2.gz BMOWDFINLXIJJL-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@H+]1C ZINC001580389348 1278216415 /nfs/dbraw/zinc/21/64/15/1278216415.db2.gz BMOWDFINLXIJJL-BASLNEPJSA-N 1 3 369.473 0.944 20 0 FCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580400705 1278225420 /nfs/dbraw/zinc/22/54/20/1278225420.db2.gz KFUFWQDUEFCYKU-GFCCVEGCSA-N 1 3 373.436 0.696 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C(N)=O)o3)CC2)CC1 ZINC001323606544 1264466524 /nfs/dbraw/zinc/46/65/24/1264466524.db2.gz BQGVUBFDOSXKHS-UHFFFAOYSA-N 1 3 363.462 0.736 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C[C@H]21 ZINC001514148895 1265327388 /nfs/dbraw/zinc/32/73/88/1265327388.db2.gz BYYWTPAHKYVZDT-GVDBMIGSSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C[C@H]21 ZINC001514148895 1265327399 /nfs/dbraw/zinc/32/73/99/1265327399.db2.gz BYYWTPAHKYVZDT-GVDBMIGSSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001327546800 1265354677 /nfs/dbraw/zinc/35/46/77/1265354677.db2.gz YLZSCMGQRQWQRC-QGZVFWFLSA-N 1 3 362.474 0.331 20 0 FCADHO O=C(c1cccc2c1CNC2)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636429 1266661245 /nfs/dbraw/zinc/66/12/45/1266661245.db2.gz SFWSZDSAESRRLH-QZTJIDSGSA-N 1 3 369.469 0.650 20 0 FCADHO O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001524009212 1266675585 /nfs/dbraw/zinc/67/55/85/1266675585.db2.gz PQUFJFJTGWVUOB-IRXDYDNUSA-N 1 3 359.474 0.162 20 0 FCADHO CN(CCO)S(=O)(=O)c1ccccc1CNCC1CC[NH+](C)CC1 ZINC001334956083 1267246436 /nfs/dbraw/zinc/24/64/36/1267246436.db2.gz MZWFMUIEGINUMH-UHFFFAOYSA-N 1 3 355.504 0.731 20 0 FCADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001546534071 1267655438 /nfs/dbraw/zinc/65/54/38/1267655438.db2.gz PTCQUWUWIYFQRD-IBGZPJMESA-N 1 3 362.522 0.972 20 0 FCADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546534071 1267655441 /nfs/dbraw/zinc/65/54/41/1267655441.db2.gz PTCQUWUWIYFQRD-IBGZPJMESA-N 1 3 362.522 0.972 20 0 FCADHO O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)c1cc2c(s1)CCNC2 ZINC001549742518 1267984842 /nfs/dbraw/zinc/98/48/42/1267984842.db2.gz VINIZLSVIILYAT-SUMWQHHRSA-N 1 3 362.499 0.770 20 0 FCADHO Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)n1 ZINC001550005403 1268045788 /nfs/dbraw/zinc/04/57/88/1268045788.db2.gz SGTSRMUYVASCDD-KZNAEPCWSA-N 1 3 374.533 0.865 20 0 FCADHO CCN1CCN(CCC(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113303 1268075964 /nfs/dbraw/zinc/07/59/64/1268075964.db2.gz QVRDEXJDXXGSKH-MOPGFXCFSA-N 1 3 360.502 0.976 20 0 FCADHO Cn1nccc1[C@@H]1[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704544 1268153219 /nfs/dbraw/zinc/15/32/19/1268153219.db2.gz ZUMGYSXUZZXWDG-BXWFABGCSA-N 1 3 373.501 0.973 20 0 FCADHO COc1ccc(NC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC001550911818 1268184215 /nfs/dbraw/zinc/18/42/15/1268184215.db2.gz GEOVEZGROYDFAK-LPHOPBHVSA-N 1 3 360.458 0.870 20 0 FCADHO Cn1cc(-c2cc(CN[C@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)on2)cn1 ZINC001550913973 1268184530 /nfs/dbraw/zinc/18/45/30/1268184530.db2.gz QZCZXIIOXHEUOZ-YJBOKZPZSA-N 1 3 358.446 0.812 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001551099962 1268204053 /nfs/dbraw/zinc/20/40/53/1268204053.db2.gz KLTNRBPSSPTJSJ-VJANTYMQSA-N 1 3 365.518 0.791 20 0 FCADHO C[N@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001551229805 1268215113 /nfs/dbraw/zinc/21/51/13/1268215113.db2.gz RUTBSVIRKXDVAA-OKYOBFRVSA-N 1 3 358.486 0.792 20 0 FCADHO C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001551229805 1268215123 /nfs/dbraw/zinc/21/51/23/1268215123.db2.gz RUTBSVIRKXDVAA-OKYOBFRVSA-N 1 3 358.486 0.792 20 0 FCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551283648 1268222298 /nfs/dbraw/zinc/22/22/98/1268222298.db2.gz USPFIETXCFXRHS-VMWRSERWSA-N 1 3 354.495 0.386 20 0 FCADHO C[N@H+]1CC[C@@](O)(CNC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551283648 1268222305 /nfs/dbraw/zinc/22/23/05/1268222305.db2.gz USPFIETXCFXRHS-VMWRSERWSA-N 1 3 354.495 0.386 20 0 FCADHO CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551505816 1268262046 /nfs/dbraw/zinc/26/20/46/1268262046.db2.gz XFXQPATZVAENDY-BNQMIIOLSA-N 1 3 354.495 0.778 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001551498053 1268262303 /nfs/dbraw/zinc/26/23/03/1268262303.db2.gz PDOWUJXDIKJBSI-UHFFFAOYSA-N 1 3 367.538 0.742 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556704 1268268542 /nfs/dbraw/zinc/26/85/42/1268268542.db2.gz STKBQELHMZQHPZ-BFYDXBDKSA-N 1 3 351.495 0.417 20 0 FCADHO [NH3+]C[C@H](O)CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001340111646 1268438698 /nfs/dbraw/zinc/43/86/98/1268438698.db2.gz GPPIFVFVOKUGPN-IAGOWNOFSA-N 1 3 361.490 0.152 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC001552340804 1268444396 /nfs/dbraw/zinc/44/43/96/1268444396.db2.gz BWMYOWGZQZLABG-CQSZACIVSA-N 1 3 351.520 0.999 20 0 FCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)C[C@H]2C1 ZINC001552337678 1268444706 /nfs/dbraw/zinc/44/47/06/1268444706.db2.gz GEJPVIJHAXPXTB-QBYUYEEZSA-N 1 3 361.494 0.814 20 0 FCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)C[C@H]2C1 ZINC001552337678 1268444710 /nfs/dbraw/zinc/44/47/10/1268444710.db2.gz GEJPVIJHAXPXTB-QBYUYEEZSA-N 1 3 361.494 0.814 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001552436112 1268463558 /nfs/dbraw/zinc/46/35/58/1268463558.db2.gz ZZERCMUXBGQWRC-HZPDHXFCSA-N 1 3 360.506 0.727 20 0 FCADHO CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@H]4C[NH2+]C[C@@H]43)cc21 ZINC001552844723 1268558309 /nfs/dbraw/zinc/55/83/09/1268558309.db2.gz QXMYPRLMOZHLEX-HOTGVXAUSA-N 1 3 359.430 0.116 20 0 FCADHO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553546594 1268667381 /nfs/dbraw/zinc/66/73/81/1268667381.db2.gz HYIFQIMUCIWDSK-JKSUJKDBSA-N 1 3 365.522 0.747 20 0 FCADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001340863897 1268685333 /nfs/dbraw/zinc/68/53/33/1268685333.db2.gz CEZGPLCMOWMDAT-QGZVFWFLSA-N 1 3 354.495 0.047 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001343087442 1269764113 /nfs/dbraw/zinc/76/41/13/1269764113.db2.gz JWFIVKCDXSMEJU-BZUAXINKSA-N 1 3 368.522 0.256 20 0 FCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1ccccc1CN1CCC(O)CC1 ZINC001343439584 1269910529 /nfs/dbraw/zinc/91/05/29/1269910529.db2.gz RTVJBPFUWZKTQY-FQEVSTJZSA-N 1 3 361.486 0.764 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)CCC1 ZINC001343454498 1269914485 /nfs/dbraw/zinc/91/44/85/1269914485.db2.gz WKTLXPJZHXRJOK-CVEARBPZSA-N 1 3 366.506 0.035 20 0 FCADHO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2ccncc2)n1 ZINC001343823999 1270022343 /nfs/dbraw/zinc/02/23/43/1270022343.db2.gz VKDOTTRXTOCGIQ-INIZCTEOSA-N 1 3 370.457 0.404 20 0 FCADHO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2ccncc2)n1 ZINC001343823999 1270022347 /nfs/dbraw/zinc/02/23/47/1270022347.db2.gz VKDOTTRXTOCGIQ-INIZCTEOSA-N 1 3 370.457 0.404 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001573062414 1270583453 /nfs/dbraw/zinc/58/34/53/1270583453.db2.gz FSYKYOVTWUZUKM-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595136 1271392905 /nfs/dbraw/zinc/39/29/05/1271392905.db2.gz DRMBOBVBMHQBMG-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595136 1271392913 /nfs/dbraw/zinc/39/29/13/1271392913.db2.gz DRMBOBVBMHQBMG-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595136 1271392923 /nfs/dbraw/zinc/39/29/23/1271392923.db2.gz DRMBOBVBMHQBMG-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595136 1271392930 /nfs/dbraw/zinc/39/29/30/1271392930.db2.gz DRMBOBVBMHQBMG-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595133 1271393811 /nfs/dbraw/zinc/39/38/11/1271393811.db2.gz DRMBOBVBMHQBMG-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574595133 1271393818 /nfs/dbraw/zinc/39/38/18/1271393818.db2.gz DRMBOBVBMHQBMG-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595133 1271393822 /nfs/dbraw/zinc/39/38/22/1271393822.db2.gz DRMBOBVBMHQBMG-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574595133 1271393827 /nfs/dbraw/zinc/39/38/27/1271393827.db2.gz DRMBOBVBMHQBMG-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574593888 1271393987 /nfs/dbraw/zinc/39/39/87/1271393987.db2.gz WJLGLHHBSQJGLZ-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574593888 1271393991 /nfs/dbraw/zinc/39/39/91/1271393991.db2.gz WJLGLHHBSQJGLZ-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874823 1271629107 /nfs/dbraw/zinc/62/91/07/1271629107.db2.gz DVHZWCKLRIWVCF-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574874823 1271629114 /nfs/dbraw/zinc/62/91/14/1271629114.db2.gz DVHZWCKLRIWVCF-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575114892 1271725247 /nfs/dbraw/zinc/72/52/47/1271725247.db2.gz KZYUKBOEUHJBIM-CQSZACIVSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575114892 1271725257 /nfs/dbraw/zinc/72/52/57/1271725257.db2.gz KZYUKBOEUHJBIM-CQSZACIVSA-N 1 3 369.473 0.899 20 0 FCADHO CC(C)[C@@H]1[NH2+]CC12CCN([C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)CC2 ZINC001575524985 1272178405 /nfs/dbraw/zinc/17/84/05/1272178405.db2.gz XISONDVIVOIBDB-OAGGEKHMSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565852 1272199685 /nfs/dbraw/zinc/19/96/85/1272199685.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565852 1272199691 /nfs/dbraw/zinc/19/96/91/1272199691.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565852 1272199696 /nfs/dbraw/zinc/19/96/96/1272199696.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565852 1272199700 /nfs/dbraw/zinc/19/97/00/1272199700.db2.gz DYZUCLYEYKXSFB-JKSUJKDBSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2ccncc2)c1 ZINC001576062004 1272809083 /nfs/dbraw/zinc/80/90/83/1272809083.db2.gz YATVMOJZMZIIBW-XJKSGUPXSA-N 1 3 366.429 0.821 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794280 1273696150 /nfs/dbraw/zinc/69/61/50/1273696150.db2.gz DRANWKAQOAIHBF-CABCVRRESA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794280 1273696154 /nfs/dbraw/zinc/69/61/54/1273696154.db2.gz DRANWKAQOAIHBF-CABCVRRESA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794280 1273696160 /nfs/dbraw/zinc/69/61/60/1273696160.db2.gz DRANWKAQOAIHBF-CABCVRRESA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794280 1273696169 /nfs/dbraw/zinc/69/61/69/1273696169.db2.gz DRANWKAQOAIHBF-CABCVRRESA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850003 1273801878 /nfs/dbraw/zinc/80/18/78/1273801878.db2.gz NZJPLQXRMWJPLR-KKUMJFAQSA-N 1 3 361.494 0.464 20 0 FCADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850003 1273801884 /nfs/dbraw/zinc/80/18/84/1273801884.db2.gz NZJPLQXRMWJPLR-KKUMJFAQSA-N 1 3 361.494 0.464 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902197 1273907195 /nfs/dbraw/zinc/90/71/95/1273907195.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 1 3 364.494 0.165 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576902197 1273907200 /nfs/dbraw/zinc/90/72/00/1273907200.db2.gz CCNUUXNAIWXHNQ-AEFFLSMTSA-N 1 3 364.494 0.165 20 0 FCADHO CCN1CCN(CCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001577778265 1274871127 /nfs/dbraw/zinc/87/11/27/1274871127.db2.gz OVQZVXTVZVVTDQ-WBVHZDCISA-N 1 3 361.538 0.967 20 0 FCADHO O=C(NCC1CC([NH2+]CCc2c[nH]nn2)C1)c1ccn(-c2ccncc2)n1 ZINC001577998517 1275250716 /nfs/dbraw/zinc/25/07/16/1275250716.db2.gz OJEAOFBEFPQKFV-UHFFFAOYSA-N 1 3 366.429 0.726 20 0 FCADHO CN1CCN(CCCNC(=O)N2CC3(C[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC001578533636 1275964753 /nfs/dbraw/zinc/96/47/53/1275964753.db2.gz QKZLBBDSXGMHPG-GOSISDBHSA-N 1 3 357.502 0.980 20 0 FCADHO COC(=O)[C@H]1CN(C)CCN(C(=O)Cn2c(C[NH3+])nc3ccccc32)C1 ZINC001578797975 1276286259 /nfs/dbraw/zinc/28/62/59/1276286259.db2.gz VZBWWTLTYJGKMU-ZDUSSCGKSA-N 1 3 359.430 0.058 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578991802 1276565402 /nfs/dbraw/zinc/56/54/02/1276565402.db2.gz ZQVDTIAAEIBMAH-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578991802 1276565408 /nfs/dbraw/zinc/56/54/08/1276565408.db2.gz ZQVDTIAAEIBMAH-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578991245 1276565957 /nfs/dbraw/zinc/56/59/57/1276565957.db2.gz RQEINBSRSRGAIS-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578991245 1276565959 /nfs/dbraw/zinc/56/59/59/1276565959.db2.gz RQEINBSRSRGAIS-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO COCCN(C)CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOC[C@H]1C ZINC001579020445 1276598737 /nfs/dbraw/zinc/59/87/37/1276598737.db2.gz CFHMHGMCFBZJFP-HZPDHXFCSA-N 1 3 366.510 0.548 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579323553 1277139051 /nfs/dbraw/zinc/13/90/51/1277139051.db2.gz VZVBELOADURVGA-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579323553 1277139052 /nfs/dbraw/zinc/13/90/52/1277139052.db2.gz VZVBELOADURVGA-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001579323553 1277139056 /nfs/dbraw/zinc/13/90/56/1277139056.db2.gz VZVBELOADURVGA-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001579323553 1277139059 /nfs/dbraw/zinc/13/90/59/1277139059.db2.gz VZVBELOADURVGA-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579326240 1277149828 /nfs/dbraw/zinc/14/98/28/1277149828.db2.gz IKRNJQWXCCTITR-SWLSCSKDSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579326240 1277149830 /nfs/dbraw/zinc/14/98/30/1277149830.db2.gz IKRNJQWXCCTITR-SWLSCSKDSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331795 1277161463 /nfs/dbraw/zinc/16/14/63/1277161463.db2.gz FQWMVIYYTTVQIC-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579331795 1277161468 /nfs/dbraw/zinc/16/14/68/1277161468.db2.gz FQWMVIYYTTVQIC-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331795 1277161471 /nfs/dbraw/zinc/16/14/71/1277161471.db2.gz FQWMVIYYTTVQIC-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579331795 1277161472 /nfs/dbraw/zinc/16/14/72/1277161472.db2.gz FQWMVIYYTTVQIC-SJORKVTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334440 1277171054 /nfs/dbraw/zinc/17/10/54/1277171054.db2.gz FCIMPIQZVAAFDV-SFAKSCPVSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001579334440 1277171056 /nfs/dbraw/zinc/17/10/56/1277171056.db2.gz FCIMPIQZVAAFDV-SFAKSCPVSA-N 1 3 373.436 0.720 20 0 FCADHO Cc1nnc(N2CC[NH2+][C@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001579910971 1277959026 /nfs/dbraw/zinc/95/90/26/1277959026.db2.gz YGPIQSUJJVSNSA-ZBFHGGJFSA-N 1 3 363.510 0.327 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580272602 1278065348 /nfs/dbraw/zinc/06/53/48/1278065348.db2.gz GBSAOWDAZFYUJI-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580272602 1278065357 /nfs/dbraw/zinc/06/53/57/1278065357.db2.gz GBSAOWDAZFYUJI-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001580272644 1278065670 /nfs/dbraw/zinc/06/56/70/1278065670.db2.gz HYBMEGANNIJIFJ-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001580867564 1279070540 /nfs/dbraw/zinc/07/05/40/1279070540.db2.gz KHYNAEOKEBECBN-SJORKVTESA-N 1 3 359.536 0.817 20 0 FCADHO Cc1cc(N[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994993 1279204648 /nfs/dbraw/zinc/20/46/48/1279204648.db2.gz VFQDDMYGEIQGSK-CZUORRHYSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(N[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994993 1279204658 /nfs/dbraw/zinc/20/46/58/1279204658.db2.gz VFQDDMYGEIQGSK-CZUORRHYSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(NCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026503 1279259669 /nfs/dbraw/zinc/25/96/69/1279259669.db2.gz LVXHFGYIMBDLNL-CHWSQXEVSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(NCC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026503 1279259678 /nfs/dbraw/zinc/25/96/78/1279259678.db2.gz LVXHFGYIMBDLNL-CHWSQXEVSA-N 1 3 372.477 0.641 20 0 FCADHO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000738 1282987141 /nfs/dbraw/zinc/98/71/41/1282987141.db2.gz RBGVQOQHPDRXPC-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001642000738 1282987148 /nfs/dbraw/zinc/98/71/48/1282987148.db2.gz RBGVQOQHPDRXPC-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)C[C@H]1C[NH+](C)C ZINC001591021689 1284078293 /nfs/dbraw/zinc/07/82/93/1284078293.db2.gz XBNRTHMUCJOVTC-VXGBXAGGSA-N 1 3 363.491 0.740 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)C[C@H]1C[NH+](C)C ZINC001591021689 1284078299 /nfs/dbraw/zinc/07/82/99/1284078299.db2.gz XBNRTHMUCJOVTC-VXGBXAGGSA-N 1 3 363.491 0.740 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1)[NH+](CC)CC ZINC001719107614 1287753312 /nfs/dbraw/zinc/75/33/12/1287753312.db2.gz VJMVRBLNOVBCAQ-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1O ZINC001719120225 1287779214 /nfs/dbraw/zinc/77/92/14/1287779214.db2.gz PGUQDZWYEVOXDW-IAGOWNOFSA-N 1 3 368.522 0.282 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001736042701 1289128761 /nfs/dbraw/zinc/12/87/61/1289128761.db2.gz RKFVAZDZIUIVCF-OWCLPIDISA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001736042701 1289128767 /nfs/dbraw/zinc/12/87/67/1289128767.db2.gz RKFVAZDZIUIVCF-OWCLPIDISA-N 1 3 350.507 0.870 20 0 FCADHO Cc1nn(C)c(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1-c1nnn[n-]1 ZINC001606110046 1288168510 /nfs/dbraw/zinc/16/85/10/1288168510.db2.gz IWKNEOJIMWZVAN-UHFFFAOYSA-N 1 3 359.482 0.372 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001727529433 1288515214 /nfs/dbraw/zinc/51/52/14/1288515214.db2.gz LERDRXHLTLUGDN-HDMKZQKVSA-N 1 3 350.511 0.826 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001727529433 1288515217 /nfs/dbraw/zinc/51/52/17/1288515217.db2.gz LERDRXHLTLUGDN-HDMKZQKVSA-N 1 3 350.511 0.826 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)CC[N@@H+]1C ZINC001737390584 1289540146 /nfs/dbraw/zinc/54/01/46/1289540146.db2.gz BECAOCHSQKPDGS-FVQBIDKESA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)CC[N@H+]1C ZINC001737390584 1289540150 /nfs/dbraw/zinc/54/01/50/1289540150.db2.gz BECAOCHSQKPDGS-FVQBIDKESA-N 1 3 350.507 0.822 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001614032854 1289734322 /nfs/dbraw/zinc/73/43/22/1289734322.db2.gz RLCGRYADLIEGPZ-SFHVURJKSA-N 1 3 350.511 0.685 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001614032854 1289734330 /nfs/dbraw/zinc/73/43/30/1289734330.db2.gz RLCGRYADLIEGPZ-SFHVURJKSA-N 1 3 350.511 0.685 20 0 FCADHO COCC[N@H+](C)CCn1c(C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001619876813 1289965600 /nfs/dbraw/zinc/96/56/00/1289965600.db2.gz LEPMCASSPIQNRP-UHFFFAOYSA-N 1 3 366.510 0.466 20 0 FCADHO COCC[N@@H+](C)CCn1c(C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001619876813 1289965607 /nfs/dbraw/zinc/96/56/07/1289965607.db2.gz LEPMCASSPIQNRP-UHFFFAOYSA-N 1 3 366.510 0.466 20 0 FCADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931301 1291380926 /nfs/dbraw/zinc/38/09/26/1291380926.db2.gz LZLRFCIUIKDCGR-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931301 1291380934 /nfs/dbraw/zinc/38/09/34/1291380934.db2.gz LZLRFCIUIKDCGR-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC001685620101 1292575171 /nfs/dbraw/zinc/57/51/71/1292575171.db2.gz USZYFSXVYVNSKF-KZNAEPCWSA-N 1 3 368.522 0.510 20 0 FCADHO C[C@@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1)CS(C)(=O)=O ZINC001689100009 1294617261 /nfs/dbraw/zinc/61/72/61/1294617261.db2.gz NQPYLKRIEGTCLM-YCPHGPKFSA-N 1 3 370.519 0.850 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740759 720821396 /nfs/dbraw/zinc/82/13/96/720821396.db2.gz LFFARPWMSNMCMM-CGTJXYLNSA-N 1 3 368.489 0.906 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740759 720821397 /nfs/dbraw/zinc/82/13/97/720821397.db2.gz LFFARPWMSNMCMM-CGTJXYLNSA-N 1 3 368.489 0.906 20 0 FCADHO Cn1cc(CN2CC[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@@H]3C2)cn1 ZINC001164767978 721249163 /nfs/dbraw/zinc/24/91/63/721249163.db2.gz XIROHAVXLXSWKK-RDJZCZTQSA-N 1 3 353.474 0.855 20 0 FCADHO CN1CCN(c2nccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)n2)CC1 ZINC001164929164 721884639 /nfs/dbraw/zinc/88/46/39/721884639.db2.gz AGYPVSHZQWLBHX-IRXDYDNUSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929164 721884641 /nfs/dbraw/zinc/88/46/41/721884641.db2.gz AGYPVSHZQWLBHX-IRXDYDNUSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccnc(N2CCN(C)CC2)n1 ZINC001164929164 721884642 /nfs/dbraw/zinc/88/46/42/721884642.db2.gz AGYPVSHZQWLBHX-IRXDYDNUSA-N 1 3 359.522 0.443 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)C1 ZINC001099341477 844034317 /nfs/dbraw/zinc/03/43/17/844034317.db2.gz FLYHXFWCVDAONG-JHJVBQTASA-N 1 3 360.384 0.209 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCn3cncn3)C2)C1 ZINC001099341477 844034324 /nfs/dbraw/zinc/03/43/24/844034324.db2.gz FLYHXFWCVDAONG-JHJVBQTASA-N 1 3 360.384 0.209 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231154 844112565 /nfs/dbraw/zinc/11/25/65/844112565.db2.gz UAUWJRRVHZXQID-AOIWGVFYSA-N 1 3 353.507 0.648 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101231154 844112572 /nfs/dbraw/zinc/11/25/72/844112572.db2.gz UAUWJRRVHZXQID-AOIWGVFYSA-N 1 3 353.507 0.648 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268846 844126277 /nfs/dbraw/zinc/12/62/77/844126277.db2.gz ZQXZCVXDFPIXRR-APWZRJJASA-N 1 3 353.507 0.914 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268846 844126279 /nfs/dbraw/zinc/12/62/79/844126279.db2.gz ZQXZCVXDFPIXRR-APWZRJJASA-N 1 3 353.507 0.914 20 0 FCADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001101320453 844146403 /nfs/dbraw/zinc/14/64/03/844146403.db2.gz NLENSMDRFLZECI-GJYPPUQNSA-N 1 3 353.507 0.648 20 0 FCADHO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001101320453 844146408 /nfs/dbraw/zinc/14/64/08/844146408.db2.gz NLENSMDRFLZECI-GJYPPUQNSA-N 1 3 353.507 0.648 20 0 FCADHO COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001101320455 844146478 /nfs/dbraw/zinc/14/64/78/844146478.db2.gz NLENSMDRFLZECI-MDZRGWNJSA-N 1 3 353.507 0.648 20 0 FCADHO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@]2(C)C1 ZINC001101320455 844146481 /nfs/dbraw/zinc/14/64/81/844146481.db2.gz NLENSMDRFLZECI-MDZRGWNJSA-N 1 3 353.507 0.648 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363986 844160666 /nfs/dbraw/zinc/16/06/66/844160666.db2.gz JDGWQPWZDYUIQY-SCTDSRPQSA-N 1 3 353.507 0.772 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363986 844160675 /nfs/dbraw/zinc/16/06/75/844160675.db2.gz JDGWQPWZDYUIQY-SCTDSRPQSA-N 1 3 353.507 0.772 20 0 FCADHO COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365799 844162218 /nfs/dbraw/zinc/16/22/18/844162218.db2.gz JWMVSHZGKUTZBK-MDZRGWNJSA-N 1 3 353.507 0.506 20 0 FCADHO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365799 844162221 /nfs/dbraw/zinc/16/22/21/844162221.db2.gz JWMVSHZGKUTZBK-MDZRGWNJSA-N 1 3 353.507 0.506 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443273 844186695 /nfs/dbraw/zinc/18/66/95/844186695.db2.gz CAJHWXWISVZAQX-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@]2(C)C1 ZINC001101443273 844186698 /nfs/dbraw/zinc/18/66/98/844186698.db2.gz CAJHWXWISVZAQX-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065205270 836819966 /nfs/dbraw/zinc/81/99/66/836819966.db2.gz BHNVWYABWGSSOP-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065205270 836819976 /nfs/dbraw/zinc/81/99/76/836819976.db2.gz BHNVWYABWGSSOP-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065257238 836825697 /nfs/dbraw/zinc/82/56/97/836825697.db2.gz ROTGMNIKKMXKTF-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065257238 836825716 /nfs/dbraw/zinc/82/57/16/836825716.db2.gz ROTGMNIKKMXKTF-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101975862 844357320 /nfs/dbraw/zinc/35/73/20/844357320.db2.gz DEPWMUJVWYCGOK-OIISXLGYSA-N 1 3 350.507 0.491 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077129129 838754624 /nfs/dbraw/zinc/75/46/24/838754624.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001077129129 838754632 /nfs/dbraw/zinc/75/46/32/838754632.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001077129129 838754633 /nfs/dbraw/zinc/75/46/33/838754633.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001077129129 838754637 /nfs/dbraw/zinc/75/46/37/838754637.db2.gz UZNLPPRCJLOSMN-KZNAEPCWSA-N 1 3 351.491 0.591 20 0 FCADHO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047710 844394476 /nfs/dbraw/zinc/39/44/76/844394476.db2.gz QWRKLCCJMIDGGK-KYJSFNMBSA-N 1 3 352.523 0.878 20 0 FCADHO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047710 844394483 /nfs/dbraw/zinc/39/44/83/844394483.db2.gz QWRKLCCJMIDGGK-KYJSFNMBSA-N 1 3 352.523 0.878 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102048905 844396694 /nfs/dbraw/zinc/39/66/94/844396694.db2.gz UDLBBZXKAFVUQD-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102048905 844396700 /nfs/dbraw/zinc/39/67/00/844396700.db2.gz UDLBBZXKAFVUQD-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215520 844447213 /nfs/dbraw/zinc/44/72/13/844447213.db2.gz RQHJHVJLVPIHFZ-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079952219 839630126 /nfs/dbraw/zinc/63/01/26/839630126.db2.gz YVLWGBSKCQSBJU-OIISXLGYSA-N 1 3 352.523 0.972 20 0 FCADHO CCN(C(=O)[C@H](C(C)C)N(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079952219 839630128 /nfs/dbraw/zinc/63/01/28/839630128.db2.gz YVLWGBSKCQSBJU-OIISXLGYSA-N 1 3 352.523 0.972 20 0 FCADHO CCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290831 844459684 /nfs/dbraw/zinc/45/96/84/844459684.db2.gz WNMGZNDIGWBLSY-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312814 844465257 /nfs/dbraw/zinc/46/52/57/844465257.db2.gz PBSMTIFOZLKFOO-NVXWUHKLSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375356 844479352 /nfs/dbraw/zinc/47/93/52/844479352.db2.gz DQZABNSRYCXBCK-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375356 844479353 /nfs/dbraw/zinc/47/93/53/844479353.db2.gz DQZABNSRYCXBCK-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CCC1 ZINC001082096056 840183359 /nfs/dbraw/zinc/18/33/59/840183359.db2.gz WRNIIQSOUXPJRA-FGTMMUONSA-N 1 3 353.507 0.959 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082558372 840464669 /nfs/dbraw/zinc/46/46/69/840464669.db2.gz MXHIZNXUQWROET-IXDOHACOSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082558372 840464676 /nfs/dbraw/zinc/46/46/76/840464676.db2.gz MXHIZNXUQWROET-IXDOHACOSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)N(C)C ZINC001082589371 840477278 /nfs/dbraw/zinc/47/72/78/840477278.db2.gz YJXMQZPATOIHEA-FVQBIDKESA-N 1 3 359.536 0.588 20 0 FCADHO C[C@@H](CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)CS(C)(=O)=O ZINC001102514480 844546206 /nfs/dbraw/zinc/54/62/06/844546206.db2.gz YQYDWTCSZWKXPU-ARFHVFGLSA-N 1 3 371.547 0.447 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514405 844546571 /nfs/dbraw/zinc/54/65/71/844546571.db2.gz WGSOBUFZUHPQBV-IXDOHACOSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514405 844546576 /nfs/dbraw/zinc/54/65/76/844546576.db2.gz WGSOBUFZUHPQBV-IXDOHACOSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520711 844550374 /nfs/dbraw/zinc/55/03/74/844550374.db2.gz VVLACMGAANDQOL-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCCCC1 ZINC001082782610 840557758 /nfs/dbraw/zinc/55/77/58/840557758.db2.gz HUWBAJYTLFXIGW-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082859999 840586381 /nfs/dbraw/zinc/58/63/81/840586381.db2.gz TWUVUUGQBMJLTE-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082859999 840586387 /nfs/dbraw/zinc/58/63/87/840586387.db2.gz TWUVUUGQBMJLTE-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082943723 840616841 /nfs/dbraw/zinc/61/68/41/840616841.db2.gz YRVWPERDQLBWIS-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469696 841041308 /nfs/dbraw/zinc/04/13/08/841041308.db2.gz DREOHEDROGSSNA-BDXSIMOUSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083523077 841120693 /nfs/dbraw/zinc/12/06/93/841120693.db2.gz LPRSHUCSGDEEBE-SQNIBIBYSA-N 1 3 353.507 0.837 20 0 FCADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@@H](O)C1 ZINC001083523077 841120697 /nfs/dbraw/zinc/12/06/97/841120697.db2.gz LPRSHUCSGDEEBE-SQNIBIBYSA-N 1 3 353.507 0.837 20 0 FCADHO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782690 841432915 /nfs/dbraw/zinc/43/29/15/841432915.db2.gz HESUKDWZAPYKAT-OAGGEKHMSA-N 1 3 353.507 0.695 20 0 FCADHO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782690 841432921 /nfs/dbraw/zinc/43/29/21/841432921.db2.gz HESUKDWZAPYKAT-OAGGEKHMSA-N 1 3 353.507 0.695 20 0 FCADHO CCNC(=O)CN1CC[C@]2(CCCN2CC2CC[NH+](CC)CC2)C1=O ZINC001275879327 861242472 /nfs/dbraw/zinc/24/24/72/861242472.db2.gz NANJQHVDIUXIGG-LJQANCHMSA-N 1 3 350.507 0.921 20 0 FCADHO CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CCC[N@H+](C)C1 ZINC001275878235 861239703 /nfs/dbraw/zinc/23/97/03/861239703.db2.gz JIYVUTXYRFEXEX-ARFHVFGLSA-N 1 3 350.507 0.918 20 0 FCADHO CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001275878235 861239712 /nfs/dbraw/zinc/23/97/12/861239712.db2.gz JIYVUTXYRFEXEX-ARFHVFGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[NH+]1CCC(CN2CC[C@]3(C2)CN([C@H](C)C(C)=O)C(=O)CO3)CC1 ZINC001275877801 861241062 /nfs/dbraw/zinc/24/10/62/861241062.db2.gz GEMDJTVFZLFJKE-BEFAXECRSA-N 1 3 351.491 0.999 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086712201 842158676 /nfs/dbraw/zinc/15/86/76/842158676.db2.gz VHJJVDMMKPNFMC-GVDBMIGSSA-N 1 3 350.507 0.968 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087059028 842253570 /nfs/dbraw/zinc/25/35/70/842253570.db2.gz MZQKPNAYLYPOQP-BRWVUGGUSA-N 1 3 353.507 0.960 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]C(C)C ZINC001087067443 842263678 /nfs/dbraw/zinc/26/36/78/842263678.db2.gz CBXUMQPXDSEZHG-CBYDULDESA-N 1 3 351.491 0.711 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087084591 842278148 /nfs/dbraw/zinc/27/81/48/842278148.db2.gz KKZWSVIDZLMOHA-HYVNUMGLSA-N 1 3 351.495 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001087088114 842280602 /nfs/dbraw/zinc/28/06/02/842280602.db2.gz KJLPFRTXXJPINJ-DJIMGWMZSA-N 1 3 350.463 0.974 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087096386 842286702 /nfs/dbraw/zinc/28/67/02/842286702.db2.gz KPPZDZXNGISGAB-IIAWOOMASA-N 1 3 367.519 0.833 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001087096386 842286712 /nfs/dbraw/zinc/28/67/12/842286712.db2.gz KPPZDZXNGISGAB-IIAWOOMASA-N 1 3 367.519 0.833 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCN1CCCC1=O ZINC001087578385 842362642 /nfs/dbraw/zinc/36/26/42/842362642.db2.gz RUBSECTVTDXSGR-WCXIOVBPSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCN1CCCC1=O ZINC001087578385 842362654 /nfs/dbraw/zinc/36/26/54/842362654.db2.gz RUBSECTVTDXSGR-WCXIOVBPSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1)N(C)C ZINC001276049927 861303480 /nfs/dbraw/zinc/30/34/80/861303480.db2.gz VONHFEFFPURPNZ-IDHHARJASA-N 1 3 350.507 0.632 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088010862 842499658 /nfs/dbraw/zinc/49/96/58/842499658.db2.gz OBJWAMKAIAJASL-OWCLPIDISA-N 1 3 351.495 0.132 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088010862 842499664 /nfs/dbraw/zinc/49/96/64/842499664.db2.gz OBJWAMKAIAJASL-OWCLPIDISA-N 1 3 351.495 0.132 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)CC1 ZINC001097092601 843844666 /nfs/dbraw/zinc/84/46/66/843844666.db2.gz QEAYJKYLCBXHRJ-DZVNLGKHSA-N 1 3 351.491 0.447 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103086948 844699077 /nfs/dbraw/zinc/69/90/77/844699077.db2.gz YNMXHACOPPCNIY-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103086948 844699081 /nfs/dbraw/zinc/69/90/81/844699081.db2.gz YNMXHACOPPCNIY-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H](CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1)CS(C)(=O)=O ZINC001103398470 844751295 /nfs/dbraw/zinc/75/12/95/844751295.db2.gz UJQDWOOUOUNAKD-ARFHVFGLSA-N 1 3 361.552 0.693 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1CN(Cc2cnnn2C)C[C@H]1C)[NH+](C)C ZINC001103407486 844752376 /nfs/dbraw/zinc/75/23/76/844752376.db2.gz FKUXHSGEMNJKMY-BFYDXBDKSA-N 1 3 350.511 0.976 20 0 FCADHO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436376 844757482 /nfs/dbraw/zinc/75/74/82/844757482.db2.gz VPPUOSUQPLLUDU-GVDBMIGSSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436376 844757486 /nfs/dbraw/zinc/75/74/86/844757486.db2.gz VPPUOSUQPLLUDU-GVDBMIGSSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722578 844807686 /nfs/dbraw/zinc/80/76/86/844807686.db2.gz URRJZNGCCWLWCP-NVXWUHKLSA-N 1 3 350.507 0.683 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722578 844807691 /nfs/dbraw/zinc/80/76/91/844807691.db2.gz URRJZNGCCWLWCP-NVXWUHKLSA-N 1 3 350.507 0.683 20 0 FCADHO CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001103999997 844852439 /nfs/dbraw/zinc/85/24/39/844852439.db2.gz RILJZBZGERTKAN-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832859 844950115 /nfs/dbraw/zinc/95/01/15/844950115.db2.gz XXAHXDUIMUZQIT-KURKYZTESA-N 1 3 355.523 0.800 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001105946287 845064996 /nfs/dbraw/zinc/06/49/96/845064996.db2.gz PLWGJQLPFZAZRF-UPJWGTAASA-N 1 3 366.491 0.255 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106249595 845142948 /nfs/dbraw/zinc/14/29/48/845142948.db2.gz LNFHTPKGFSLWIP-XYPHTWIQSA-N 1 3 350.507 0.537 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCS(=O)(=O)CC)[C@H](C)C1)N(C)C ZINC001106312857 845152943 /nfs/dbraw/zinc/15/29/43/845152943.db2.gz QHHHKKQJYXTBDJ-BZUAXINKSA-N 1 3 361.552 0.836 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1)N(C)C ZINC001106633191 845209829 /nfs/dbraw/zinc/20/98/29/845209829.db2.gz CNWZPUPNRGEUSC-IIDMSEBBSA-N 1 3 352.523 0.878 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665810 845219438 /nfs/dbraw/zinc/21/94/38/845219438.db2.gz CDJVWNSGWKHNBV-ARFHVFGLSA-N 1 3 359.536 0.447 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1)N(C)C ZINC001106673149 845221179 /nfs/dbraw/zinc/22/11/79/845221179.db2.gz FJOSUOWJDUUWDK-OIISXLGYSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001106672847 845221510 /nfs/dbraw/zinc/22/15/10/845221510.db2.gz MCELCQFBSMFMHD-BZUAXINKSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705045 845229359 /nfs/dbraw/zinc/22/93/59/845229359.db2.gz OUHHZNDEEFXLRA-ZIAGYGMSSA-N 1 3 350.467 0.344 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106983708 845299727 /nfs/dbraw/zinc/29/97/27/845299727.db2.gz FUOFLKDZZHSZAR-CHWSQXEVSA-N 1 3 366.491 0.257 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001107040119 845317202 /nfs/dbraw/zinc/31/72/02/845317202.db2.gz DJWOLVTWALZXGR-CHWSQXEVSA-N 1 3 368.507 0.501 20 0 FCADHO CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109646256 845704373 /nfs/dbraw/zinc/70/43/73/845704373.db2.gz OZAXWQLYHYCJGI-PMPSAXMXSA-N 1 3 351.447 0.685 20 0 FCADHO CN(C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109646256 845704376 /nfs/dbraw/zinc/70/43/76/845704376.db2.gz OZAXWQLYHYCJGI-PMPSAXMXSA-N 1 3 351.447 0.685 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001109932863 845763197 /nfs/dbraw/zinc/76/31/97/845763197.db2.gz WQQPJKADWCCMBU-NCOADZHNSA-N 1 3 357.495 0.074 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001109932863 845763200 /nfs/dbraw/zinc/76/32/00/845763200.db2.gz WQQPJKADWCCMBU-NCOADZHNSA-N 1 3 357.495 0.074 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCNC(=O)C1CC1)C2 ZINC001111927812 846263390 /nfs/dbraw/zinc/26/33/90/846263390.db2.gz OSWFSYNVVRPBFO-LPHOPBHVSA-N 1 3 350.507 0.825 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCNC(=O)C1CC1)C2 ZINC001111927812 846263405 /nfs/dbraw/zinc/26/34/05/846263405.db2.gz OSWFSYNVVRPBFO-LPHOPBHVSA-N 1 3 350.507 0.825 20 0 FCADHO CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276874301 861663195 /nfs/dbraw/zinc/66/31/95/861663195.db2.gz HARAQTCBSPXYRB-QZTJIDSGSA-N 1 3 352.523 0.726 20 0 FCADHO CCOCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276874301 861663197 /nfs/dbraw/zinc/66/31/97/861663197.db2.gz HARAQTCBSPXYRB-QZTJIDSGSA-N 1 3 352.523 0.726 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112189905 846449088 /nfs/dbraw/zinc/44/90/88/846449088.db2.gz BQCKPDKHGREPPT-YNEHKIRRSA-N 1 3 355.401 0.314 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112189905 846449083 /nfs/dbraw/zinc/44/90/83/846449083.db2.gz BQCKPDKHGREPPT-YNEHKIRRSA-N 1 3 355.401 0.314 20 0 FCADHO CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401789 846502232 /nfs/dbraw/zinc/50/22/32/846502232.db2.gz YGWJOKSTKPLFGG-DOXZYTNZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001112529722 846516584 /nfs/dbraw/zinc/51/65/84/846516584.db2.gz MCDQSZYHRNMNRN-BXWFABGCSA-N 1 3 350.507 0.635 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001112548851 846521565 /nfs/dbraw/zinc/52/15/65/846521565.db2.gz VSHZXFLQZRAGMF-FCEWJHQRSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958803 861703335 /nfs/dbraw/zinc/70/33/35/861703335.db2.gz APYUCGOELTTXLQ-MJGOQNOKSA-N 1 3 352.523 0.462 20 0 FCADHO C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958803 861703350 /nfs/dbraw/zinc/70/33/50/861703350.db2.gz APYUCGOELTTXLQ-MJGOQNOKSA-N 1 3 352.523 0.462 20 0 FCADHO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC001120496894 848221082 /nfs/dbraw/zinc/22/10/82/848221082.db2.gz MXAXILSYJUQBEE-HNNXBMFYSA-N 1 3 352.431 0.259 20 0 FCADHO COCCN1CCC(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001120582606 848249012 /nfs/dbraw/zinc/24/90/12/848249012.db2.gz JOZHPOHXDMXHRA-INIZCTEOSA-N 1 3 354.495 0.555 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362146 848498873 /nfs/dbraw/zinc/49/88/73/848498873.db2.gz OHJKHEDUSMVQCH-JKSUJKDBSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCc3sccc3C2)CC[N@@H+]1C ZINC001127644265 848729731 /nfs/dbraw/zinc/72/97/31/848729731.db2.gz XJFXNUJYVVFZMS-UKRRQHHQSA-N 1 3 364.515 0.679 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCc3sccc3C2)CC[N@H+]1C ZINC001127644265 848729732 /nfs/dbraw/zinc/72/97/32/848729732.db2.gz XJFXNUJYVVFZMS-UKRRQHHQSA-N 1 3 364.515 0.679 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCc2ccco2)CC[N@@H+]1C ZINC001127707264 848734314 /nfs/dbraw/zinc/73/43/14/848734314.db2.gz XPNKUSHVFQPWPM-CWRNSKLLSA-N 1 3 350.463 0.720 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NCc2ccco2)CC[N@H+]1C ZINC001127707264 848734315 /nfs/dbraw/zinc/73/43/15/848734315.db2.gz XPNKUSHVFQPWPM-CWRNSKLLSA-N 1 3 350.463 0.720 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001127707027 848734351 /nfs/dbraw/zinc/73/43/51/848734351.db2.gz SUTBPQKOLRCRSH-NWDGAFQWSA-N 1 3 352.401 0.443 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001127707027 848734360 /nfs/dbraw/zinc/73/43/60/848734360.db2.gz SUTBPQKOLRCRSH-NWDGAFQWSA-N 1 3 352.401 0.443 20 0 FCADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)N1CCCC1 ZINC001129954681 848921404 /nfs/dbraw/zinc/92/14/04/848921404.db2.gz ZFVVWCIBEOJLOY-CABCVRRESA-N 1 3 352.458 0.854 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007619 848929997 /nfs/dbraw/zinc/92/99/97/848929997.db2.gz NPPDOIFIVSLMNQ-XHSDSOJGSA-N 1 3 350.467 0.140 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130136944 848950035 /nfs/dbraw/zinc/95/00/35/848950035.db2.gz AGTCNLODNKQMQC-XHSDSOJGSA-N 1 3 352.483 0.121 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130215716 848977692 /nfs/dbraw/zinc/97/76/92/848977692.db2.gz CSMIBDSSRYOODG-YDHLFZDLSA-N 1 3 352.483 0.489 20 0 FCADHO COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001131562178 849123680 /nfs/dbraw/zinc/12/36/80/849123680.db2.gz NSJIZZDCKBSOGI-WDYCEAGBSA-N 1 3 353.507 0.960 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001131582962 849126727 /nfs/dbraw/zinc/12/67/27/849126727.db2.gz IOTKPRZOECWMQD-UNEWFSDZSA-N 1 3 354.495 0.188 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762570 862057569 /nfs/dbraw/zinc/05/75/69/862057569.db2.gz XCKWMHYAONCQQI-LJQANCHMSA-N 1 3 352.523 0.319 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](CC(C)(C)O)C3)C2=O)CC1 ZINC001277762570 862057585 /nfs/dbraw/zinc/05/75/85/862057585.db2.gz XCKWMHYAONCQQI-LJQANCHMSA-N 1 3 352.523 0.319 20 0 FCADHO CC(C)N(C)[C@@H]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001157000579 849936733 /nfs/dbraw/zinc/93/67/33/849936733.db2.gz GMVUCUHKURAMFH-CYBMUJFWSA-N 1 3 367.519 0.487 20 0 FCADHO CCOC(=O)Cn1cnc2c1nc(Cl)nc2NC(=N)NCCCC[NH3+] ZINC001157096207 849946146 /nfs/dbraw/zinc/94/61/46/849946146.db2.gz GFNJPDHUFZLTJJ-UHFFFAOYSA-N 1 3 368.829 0.718 20 0 FCADHO O=C(c1csc([C@H]2CCCN2)n1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120256 850020162 /nfs/dbraw/zinc/02/01/62/850020162.db2.gz MPKKZJYCZSTRCR-DIFFPNOSSA-N 1 3 361.471 0.119 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241051 850027597 /nfs/dbraw/zinc/02/75/97/850027597.db2.gz QJGIIQXRBAKSQN-GHMZBOCLSA-N 1 3 351.369 0.942 20 0 FCADHO Cc1cc(NC(=O)[C@@H](C)NCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001158389379 850045679 /nfs/dbraw/zinc/04/56/79/850045679.db2.gz BTUINILINVCCQN-MGPQQGTHSA-N 1 3 351.451 0.746 20 0 FCADHO Cc1cc(NC(=O)[C@@H](C)NCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001158389379 850045689 /nfs/dbraw/zinc/04/56/89/850045689.db2.gz BTUINILINVCCQN-MGPQQGTHSA-N 1 3 351.451 0.746 20 0 FCADHO CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159844879 850140923 /nfs/dbraw/zinc/14/09/23/850140923.db2.gz LGOUAKVOOVXOOE-LSDHHAIUSA-N 1 3 354.495 0.223 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160025328 850149622 /nfs/dbraw/zinc/14/96/22/850149622.db2.gz BGWLUOLKPJGZKC-JJXSEGSLSA-N 1 3 352.479 0.214 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(CCOCCO)CC2)CC[N@@H+]1C ZINC001160168937 850156255 /nfs/dbraw/zinc/15/62/55/850156255.db2.gz DOGXKHLADSZTMG-ZWKOTPCHSA-N 1 3 353.507 0.864 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(CCOCCO)CC2)CC[N@H+]1C ZINC001160168937 850156262 /nfs/dbraw/zinc/15/62/62/850156262.db2.gz DOGXKHLADSZTMG-ZWKOTPCHSA-N 1 3 353.507 0.864 20 0 FCADHO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160383122 850168614 /nfs/dbraw/zinc/16/86/14/850168614.db2.gz ZFYDJHKQMNSVHZ-AWEZNQCLSA-N 1 3 351.499 0.307 20 0 FCADHO O=C(N1Cc2cc(Br)cnc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160664507 850190356 /nfs/dbraw/zinc/19/03/56/850190356.db2.gz RXBVOZOSNASOIE-IAQYHMDHSA-N 1 3 351.248 0.885 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160912672 850213753 /nfs/dbraw/zinc/21/37/53/850213753.db2.gz MTHYWVASTNKFKX-GFCCVEGCSA-N 1 3 351.838 0.309 20 0 FCADHO O=S(=O)(N(C[C@H]1CCC[NH2+]1)c1ncc2c(n1)CCNC2)C(F)(F)F ZINC001166883443 850510198 /nfs/dbraw/zinc/51/01/98/850510198.db2.gz LGKPTPIYOOPJHE-SNVBAGLBSA-N 1 3 365.381 0.530 20 0 FCADHO CS(=O)(=O)N1CCN(c2cccc(NCC[C@H]3CCC[NH2+]3)n2)CC1 ZINC001169563147 850630050 /nfs/dbraw/zinc/63/00/50/850630050.db2.gz SSOPMXDVWJYTGZ-CQSZACIVSA-N 1 3 353.492 0.717 20 0 FCADHO CC[C@]1(C(=O)OC)C[C@@H](NCCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522148 850724822 /nfs/dbraw/zinc/72/48/22/850724822.db2.gz XEIYOFHWANRSIR-CXAGYDPISA-N 1 3 359.467 0.883 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001182692549 851193049 /nfs/dbraw/zinc/19/30/49/851193049.db2.gz MXXQZJKHWSZHHM-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001182692549 851193056 /nfs/dbraw/zinc/19/30/56/851193056.db2.gz MXXQZJKHWSZHHM-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485396 851795178 /nfs/dbraw/zinc/79/51/78/851795178.db2.gz VPEHDDXSJFQCBR-YESZJQIVSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001189485396 851795180 /nfs/dbraw/zinc/79/51/80/851795180.db2.gz VPEHDDXSJFQCBR-YESZJQIVSA-N 1 3 350.507 0.870 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913743 851842379 /nfs/dbraw/zinc/84/23/79/851842379.db2.gz ZGVIDCHROKYJMC-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001189913743 851842388 /nfs/dbraw/zinc/84/23/88/851842388.db2.gz ZGVIDCHROKYJMC-YESZJQIVSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@H]2O)CCCC1 ZINC001195005959 852691147 /nfs/dbraw/zinc/69/11/47/852691147.db2.gz BSFABRXFLOVNCE-BRWVUGGUSA-N 1 3 353.507 0.981 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)CC1 ZINC001197319457 853097967 /nfs/dbraw/zinc/09/79/67/853097967.db2.gz IIJHKAGNPBAILY-QZTJIDSGSA-N 1 3 353.507 0.839 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC001199057523 853361147 /nfs/dbraw/zinc/36/11/47/853361147.db2.gz LSZRSPNMRGPKKN-KZNAEPCWSA-N 1 3 353.507 0.983 20 0 FCADHO CCN(C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070311 853890695 /nfs/dbraw/zinc/89/06/95/853890695.db2.gz IVOQGHRRSKGIQI-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C1CC1 ZINC001208070311 853890700 /nfs/dbraw/zinc/89/07/00/853890700.db2.gz IVOQGHRRSKGIQI-HLLBOEOZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001208073256 853891810 /nfs/dbraw/zinc/89/18/10/853891810.db2.gz GIIPEBFNPVOIBW-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001208073256 853891814 /nfs/dbraw/zinc/89/18/14/853891814.db2.gz GIIPEBFNPVOIBW-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208427635 853932192 /nfs/dbraw/zinc/93/21/92/853932192.db2.gz DJECZPPCFQSJFB-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447744 853935708 /nfs/dbraw/zinc/93/57/08/853935708.db2.gz OTRAHHFRFNZVGO-HZSPNIEDSA-N 1 3 369.428 0.705 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494238 853941739 /nfs/dbraw/zinc/94/17/39/853941739.db2.gz MDTANOIRHPFXAK-JHJVBQTASA-N 1 3 355.401 0.314 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](C[C@@H]3CCCN(C)C3)CC[C@@H]2C1 ZINC001208616399 853960565 /nfs/dbraw/zinc/96/05/65/853960565.db2.gz ZBSFNWGAZBTLPK-KZNAEPCWSA-N 1 3 352.523 0.439 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCN(C)C3)CC[C@@H]2C1 ZINC001208616399 853960569 /nfs/dbraw/zinc/96/05/69/853960569.db2.gz ZBSFNWGAZBTLPK-KZNAEPCWSA-N 1 3 352.523 0.439 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001214343967 854928020 /nfs/dbraw/zinc/92/80/20/854928020.db2.gz KVPSKBGETDXZTO-OIISXLGYSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC1CCCC1 ZINC001214664172 854989297 /nfs/dbraw/zinc/98/92/97/854989297.db2.gz OOPSARVNMULNRH-MUIFIZLQSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC1CCCC1 ZINC001214664172 854989301 /nfs/dbraw/zinc/98/93/01/854989301.db2.gz OOPSARVNMULNRH-MUIFIZLQSA-N 1 3 350.507 0.822 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214780316 855012326 /nfs/dbraw/zinc/01/23/26/855012326.db2.gz UYWBSOVAVOVDGV-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001214780316 855012335 /nfs/dbraw/zinc/01/23/35/855012335.db2.gz UYWBSOVAVOVDGV-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214847788 855022070 /nfs/dbraw/zinc/02/20/70/855022070.db2.gz SJOQGWQHGICGOL-RRFJBIMHSA-N 1 3 359.536 0.588 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847484 855022172 /nfs/dbraw/zinc/02/21/72/855022172.db2.gz GSKGCAWAIKLLOB-HUUCEWRRSA-N 1 3 359.536 0.732 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847806 855022193 /nfs/dbraw/zinc/02/21/93/855022193.db2.gz TXSWJGLDCVXCLW-HUUCEWRRSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214861140 855024213 /nfs/dbraw/zinc/02/42/13/855024213.db2.gz JEMLDCSZNMCDDY-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1)N(C)C ZINC001214952686 855039099 /nfs/dbraw/zinc/03/90/99/855039099.db2.gz HSTRVAXDZWHCTN-FVQBIDKESA-N 1 3 350.463 0.673 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C1 ZINC001215000089 855049557 /nfs/dbraw/zinc/04/95/57/855049557.db2.gz XQFDHYNCIQWRAD-HUUCEWRRSA-N 1 3 361.552 0.978 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215381373 855107072 /nfs/dbraw/zinc/10/70/72/855107072.db2.gz VCECAWXRJCBEIM-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001215381373 855107080 /nfs/dbraw/zinc/10/70/80/855107080.db2.gz VCECAWXRJCBEIM-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)C1=O ZINC001215413403 855112255 /nfs/dbraw/zinc/11/22/55/855112255.db2.gz FNGNTUJWZQNSFQ-BZUAXINKSA-N 1 3 350.507 0.774 20 0 FCADHO CC(C)CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453505 855117439 /nfs/dbraw/zinc/11/74/39/855117439.db2.gz FMCHZCDYXSDRAF-HLLBOEOZSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215536045 855125079 /nfs/dbraw/zinc/12/50/79/855125079.db2.gz FOEYHVGVYTWYTD-BFYDXBDKSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215536883 855125871 /nfs/dbraw/zinc/12/58/71/855125871.db2.gz XXUNXXPZGGPUNT-BZUAXINKSA-N 1 3 371.547 0.732 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001215993752 855163146 /nfs/dbraw/zinc/16/31/46/855163146.db2.gz CVKCNMMLLCQEHT-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226309 855181392 /nfs/dbraw/zinc/18/13/92/855181392.db2.gz RYGKGYLRRIHMNF-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216226309 855181401 /nfs/dbraw/zinc/18/14/01/855181401.db2.gz RYGKGYLRRIHMNF-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229930 855182158 /nfs/dbraw/zinc/18/21/58/855182158.db2.gz SKUOYAPUKQAKTE-FRRDWIJNSA-N 1 3 366.428 0.832 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216229930 855182159 /nfs/dbraw/zinc/18/21/59/855182159.db2.gz SKUOYAPUKQAKTE-FRRDWIJNSA-N 1 3 366.428 0.832 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382965 855196790 /nfs/dbraw/zinc/19/67/90/855196790.db2.gz FSCFJXHPLDYVQH-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C)C1CC1 ZINC001216382965 855196796 /nfs/dbraw/zinc/19/67/96/855196796.db2.gz FSCFJXHPLDYVQH-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO COc1cc(CN[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)sn1 ZINC001216402148 855199536 /nfs/dbraw/zinc/19/95/36/855199536.db2.gz VMYFEPINDMEEJF-TZMCWYRMSA-N 1 3 356.492 0.666 20 0 FCADHO CCC(C)(C)NC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401685 855199578 /nfs/dbraw/zinc/19/95/78/855199578.db2.gz OZLNMGWCDQLIAG-HUUCEWRRSA-N 1 3 356.511 0.306 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001216511389 855209462 /nfs/dbraw/zinc/20/94/62/855209462.db2.gz QLDLHJMLNIQJBH-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001216511421 855209684 /nfs/dbraw/zinc/20/96/84/855209684.db2.gz RRIQSMLTZLMHDM-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC001216854442 855260769 /nfs/dbraw/zinc/26/07/69/855260769.db2.gz ZCWBWNXSUFNQJL-FRRDWIJNSA-N 1 3 366.428 0.830 20 0 FCADHO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CN2CCC1CC2 ZINC001218289173 855412030 /nfs/dbraw/zinc/41/20/30/855412030.db2.gz JIZXRLLRMVQOTG-NSHDSACASA-N 1 3 350.419 0.234 20 0 FCADHO Cc1nc(Cl)ncc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218585884 855444814 /nfs/dbraw/zinc/44/48/14/855444814.db2.gz ATEHOZDFBBFJIE-AAEUAGOBSA-N 1 3 368.869 0.824 20 0 FCADHO CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218596221 855446526 /nfs/dbraw/zinc/44/65/26/855446526.db2.gz YJCCWZRCSVOBGY-VIFPVBQESA-N 1 3 367.435 0.028 20 0 FCADHO Cc1nc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc(N2CCOCC2)n1 ZINC001218621434 855451842 /nfs/dbraw/zinc/45/18/42/855451842.db2.gz UKYHPSOKCWFSNZ-AWEZNQCLSA-N 1 3 350.467 0.619 20 0 FCADHO CN1CCN(c2ccc(F)cc2NC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001218861683 855487692 /nfs/dbraw/zinc/48/76/92/855487692.db2.gz MFJHXYXABLBVKE-ZDUSSCGKSA-N 1 3 355.483 0.535 20 0 FCADHO COCCCCCN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965692 855504614 /nfs/dbraw/zinc/50/46/14/855504614.db2.gz QLOJOUPFHLPEJC-DLBZAZTESA-N 1 3 357.495 0.293 20 0 FCADHO CCCCCCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652131 855756263 /nfs/dbraw/zinc/75/62/63/855756263.db2.gz BRRQABUVGGJQFG-SJORKVTESA-N 1 3 351.495 0.800 20 0 FCADHO CN1C[C@@H](C(=O)N[C@@H]2CNCc3ccsc32)OC2(CC[NH2+]CC2)C1 ZINC001219823326 855831841 /nfs/dbraw/zinc/83/18/41/855831841.db2.gz PFRWZJJPTRXCLQ-KGLIPLIRSA-N 1 3 350.488 0.461 20 0 FCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219922742 855879784 /nfs/dbraw/zinc/87/97/84/855879784.db2.gz DTNDMEMYHGJSJX-UAGQMJEPSA-N 1 3 353.507 0.837 20 0 FCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219922742 855879789 /nfs/dbraw/zinc/87/97/89/855879789.db2.gz DTNDMEMYHGJSJX-UAGQMJEPSA-N 1 3 353.507 0.837 20 0 FCADHO N[C@@H](CNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)c1ccccc1 ZINC001220501763 856156905 /nfs/dbraw/zinc/15/69/05/856156905.db2.gz UDDUJHOGRXILQB-GJZGRUSLSA-N 1 3 351.472 0.217 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608233 856204953 /nfs/dbraw/zinc/20/49/53/856204953.db2.gz SNCUIOZINWXEBU-KBPBESRZSA-N 1 3 366.263 0.869 20 0 FCADHO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220799828 856306797 /nfs/dbraw/zinc/30/67/97/856306797.db2.gz HKHDZLNHYLASCK-GJZGRUSLSA-N 1 3 365.861 0.739 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825663 856325970 /nfs/dbraw/zinc/32/59/70/856325970.db2.gz ABSKJIWOYDXLFP-SQNIBIBYSA-N 1 3 355.523 0.821 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220825663 856325974 /nfs/dbraw/zinc/32/59/74/856325974.db2.gz ABSKJIWOYDXLFP-SQNIBIBYSA-N 1 3 355.523 0.821 20 0 FCADHO O=C(C[C@@H]1CCC[NH2+]C1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898459 856362949 /nfs/dbraw/zinc/36/29/49/856362949.db2.gz KSSSPLCANKWWPV-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO O=C(C[C@H]1CCC[NH2+]C1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898460 856363559 /nfs/dbraw/zinc/36/35/59/856363559.db2.gz KSSSPLCANKWWPV-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001220902795 856366588 /nfs/dbraw/zinc/36/65/88/856366588.db2.gz AGGWZNFDYGNZCK-MRXNPFEDSA-N 1 3 365.499 0.313 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001220920715 856374159 /nfs/dbraw/zinc/37/41/59/856374159.db2.gz KXZRRXBJWPBELJ-FZMZJTMJSA-N 1 3 354.451 0.176 20 0 FCADHO N[C@@H](CC(F)F)C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220970621 856400021 /nfs/dbraw/zinc/40/00/21/856400021.db2.gz HENRLBWSBBUDIN-ZDUSSCGKSA-N 1 3 354.401 0.605 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC001220970621 856400028 /nfs/dbraw/zinc/40/00/28/856400028.db2.gz HENRLBWSBBUDIN-ZDUSSCGKSA-N 1 3 354.401 0.605 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001221154207 856486515 /nfs/dbraw/zinc/48/65/15/856486515.db2.gz GXUMJDQEFPTIMN-KURKYZTESA-N 1 3 353.507 0.983 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221155396 856488216 /nfs/dbraw/zinc/48/82/16/856488216.db2.gz LBLOJZYCFQEGQG-INIZCTEOSA-N 1 3 368.503 0.689 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221271965 856534964 /nfs/dbraw/zinc/53/49/64/856534964.db2.gz PLMHDLQGQPSWPY-LFUZPPSTSA-N 1 3 361.430 0.942 20 0 FCADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1 ZINC001221366538 856555580 /nfs/dbraw/zinc/55/55/80/856555580.db2.gz PIGXZXIXBNDAOM-HOTGVXAUSA-N 1 3 351.447 0.682 20 0 FCADHO CN(C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221768269 856677543 /nfs/dbraw/zinc/67/75/43/856677543.db2.gz GXNZRYZMSWOWKQ-GDBMZVCRSA-N 1 3 351.447 0.496 20 0 FCADHO CN(C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221768269 856677550 /nfs/dbraw/zinc/67/75/50/856677550.db2.gz GXNZRYZMSWOWKQ-GDBMZVCRSA-N 1 3 351.447 0.496 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221791596 856685828 /nfs/dbraw/zinc/68/58/28/856685828.db2.gz UPYSFNIMNMNDNQ-MGPQQGTHSA-N 1 3 367.412 0.411 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910580 856730865 /nfs/dbraw/zinc/73/08/65/856730865.db2.gz KMOZWQRFMZSZEP-FGTMMUONSA-N 1 3 353.507 0.647 20 0 FCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)N1CCCC1 ZINC001227899619 857183352 /nfs/dbraw/zinc/18/33/52/857183352.db2.gz AKJLNISBHVWQQQ-CHWSQXEVSA-N 1 3 353.467 0.073 20 0 FCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001228603687 857218596 /nfs/dbraw/zinc/21/85/96/857218596.db2.gz RPIBDHRSEPWSRV-USXIJHARSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229229919 857259967 /nfs/dbraw/zinc/25/99/67/857259967.db2.gz DTCYVMYOJLLSSK-HUUCEWRRSA-N 1 3 362.540 0.237 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)CC)N(C)C ZINC001229745738 857285283 /nfs/dbraw/zinc/28/52/83/857285283.db2.gz ABKRUTAOYLDZTB-KFWWJZLASA-N 1 3 362.540 0.283 20 0 FCADHO COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238239524 857465078 /nfs/dbraw/zinc/46/50/78/857465078.db2.gz CTZGVQWDNCBRFC-ZDUSSCGKSA-N 1 3 369.487 0.856 20 0 FCADHO COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238239524 857465085 /nfs/dbraw/zinc/46/50/85/857465085.db2.gz CTZGVQWDNCBRFC-ZDUSSCGKSA-N 1 3 369.487 0.856 20 0 FCADHO COCCc1ccc(OC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246008043 857564019 /nfs/dbraw/zinc/56/40/19/857564019.db2.gz MPPBUYGGAWISHQ-WBVHZDCISA-N 1 3 353.463 0.188 20 0 FCADHO CC[C@@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC ZINC001246513759 857583419 /nfs/dbraw/zinc/58/34/19/857583419.db2.gz JQQURFMLTDHQEF-RDBSUJKOSA-N 1 3 356.515 0.283 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709496 857592646 /nfs/dbraw/zinc/59/26/46/857592646.db2.gz OTROUFKSZUSRJV-FGTAOJJYSA-N 1 3 351.491 0.902 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CCN1 ZINC001246709496 857592654 /nfs/dbraw/zinc/59/26/54/857592654.db2.gz OTROUFKSZUSRJV-FGTAOJJYSA-N 1 3 351.491 0.902 20 0 FCADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCC(N3CCC([NH3+])CC3)CC2)CN1 ZINC001246963192 857607581 /nfs/dbraw/zinc/60/75/81/857607581.db2.gz GVACNYBFOMWWIM-SJORKVTESA-N 1 3 352.523 0.946 20 0 FCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CN1 ZINC001247010940 857609758 /nfs/dbraw/zinc/60/97/58/857609758.db2.gz WWZHPJCDFUXBER-ILXRZTDVSA-N 1 3 353.463 0.145 20 0 FCADHO C[NH+](C)CCNC(=S)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001249833742 857650121 /nfs/dbraw/zinc/65/01/21/857650121.db2.gz XJHMRZNFDKHVRK-IAGOWNOFSA-N 1 3 363.531 0.793 20 0 FCADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)C1CC[NH+](C2CC2)CC1 ZINC001256075877 858052185 /nfs/dbraw/zinc/05/21/85/858052185.db2.gz UCDMDOQSGCZPBL-UHFFFAOYSA-N 1 3 354.476 0.709 20 0 FCADHO CCCN1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001258773307 858210338 /nfs/dbraw/zinc/21/03/38/858210338.db2.gz GPAOGQBHONUWGW-UHFFFAOYSA-N 1 3 369.535 0.665 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261523198 858578745 /nfs/dbraw/zinc/57/87/45/858578745.db2.gz QEBJGELSPRVULI-FCEWJHQRSA-N 1 3 350.507 0.955 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NN3CC(=O)N(C)C3=O)CC2)CC1 ZINC001261551401 858590226 /nfs/dbraw/zinc/59/02/26/858590226.db2.gz IYOCXTHBDZMVLI-UHFFFAOYSA-N 1 3 351.451 0.108 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001261727011 858648745 /nfs/dbraw/zinc/64/87/45/858648745.db2.gz JPMNXPNYZBDSDG-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261727011 858648751 /nfs/dbraw/zinc/64/87/51/858648751.db2.gz JPMNXPNYZBDSDG-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001262073606 858773281 /nfs/dbraw/zinc/77/32/81/858773281.db2.gz XGKUYXNWEKDHQK-CTYIDZIISA-N 1 3 350.438 0.569 20 0 FCADHO CN1CCC[C@H](N2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001264650188 859413567 /nfs/dbraw/zinc/41/35/67/859413567.db2.gz IGGYMXZBBXJONL-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001269991982 859624275 /nfs/dbraw/zinc/62/42/75/859624275.db2.gz DHUUUSSKBAXHAC-HRCADAONSA-N 1 3 353.511 0.940 20 0 FCADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H](C1)O2 ZINC001269991929 859624295 /nfs/dbraw/zinc/62/42/95/859624295.db2.gz CSHZEFZATHAXOI-HRCADAONSA-N 1 3 353.511 0.940 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489663 859770347 /nfs/dbraw/zinc/77/03/47/859770347.db2.gz IDHCUFDNLBAODA-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489663 859770349 /nfs/dbraw/zinc/77/03/49/859770349.db2.gz IDHCUFDNLBAODA-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CN1CCCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001271138351 859903658 /nfs/dbraw/zinc/90/36/58/859903658.db2.gz DDNRIKMIDMPPOT-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN2C(=O)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001271658692 859988517 /nfs/dbraw/zinc/98/85/17/859988517.db2.gz TZPVTWBFJPVMPD-VQIMIIECSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN2C(=O)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658692 859988520 /nfs/dbraw/zinc/98/85/20/859988520.db2.gz TZPVTWBFJPVMPD-VQIMIIECSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN2C(=O)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001271658691 859988807 /nfs/dbraw/zinc/98/88/07/859988807.db2.gz TZPVTWBFJPVMPD-QFBILLFUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN2C(=O)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001271658691 859988811 /nfs/dbraw/zinc/98/88/11/859988811.db2.gz TZPVTWBFJPVMPD-QFBILLFUSA-N 1 3 350.507 0.873 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822603 860271843 /nfs/dbraw/zinc/27/18/43/860271843.db2.gz ZXPZISCNDAXOGL-LPHOPBHVSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001272822603 860271854 /nfs/dbraw/zinc/27/18/54/860271854.db2.gz ZXPZISCNDAXOGL-LPHOPBHVSA-N 1 3 350.507 0.729 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1)N(C)C ZINC001273183570 860402782 /nfs/dbraw/zinc/40/27/82/860402782.db2.gz WRLNBNGRKKHRBD-KBRIMQKVSA-N 1 3 360.449 0.235 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001273787651 860599274 /nfs/dbraw/zinc/59/92/74/860599274.db2.gz AVXNMXJUSMCCIN-VQIMIIECSA-N 1 3 352.523 0.977 20 0 FCADHO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001275172391 860977153 /nfs/dbraw/zinc/97/71/53/860977153.db2.gz WGFYJJAVQLLAGA-OWCLPIDISA-N 1 3 363.531 0.730 20 0 FCADHO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001275172391 860977170 /nfs/dbraw/zinc/97/71/70/860977170.db2.gz WGFYJJAVQLLAGA-OWCLPIDISA-N 1 3 363.531 0.730 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC2(CCN(CC(=O)N(C)C)C2)CC1)[NH+](C)C ZINC001275223014 860993376 /nfs/dbraw/zinc/99/33/76/860993376.db2.gz VJDNGUWGIVNKFG-QGZVFWFLSA-N 1 3 352.523 0.975 20 0 FCADHO CN(C)C(=O)CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279914416 863134342 /nfs/dbraw/zinc/13/43/42/863134342.db2.gz QRLQLTRZKIEMIG-VQIMIIECSA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCC(=O)N3CCN(C)CC3)(C1)CCC2 ZINC001280073423 863245770 /nfs/dbraw/zinc/24/57/70/863245770.db2.gz CKDNGMYURRHRGA-RBUKOAKNSA-N 1 3 351.539 0.347 20 0 FCADHO COCCN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259062 863366351 /nfs/dbraw/zinc/36/63/51/863366351.db2.gz VODKAOHTIQIKHI-TVFCKZIOSA-N 1 3 353.507 0.912 20 0 FCADHO COCCN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001280259062 863366359 /nfs/dbraw/zinc/36/63/59/863366359.db2.gz VODKAOHTIQIKHI-TVFCKZIOSA-N 1 3 353.507 0.912 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21)N(C)C ZINC001284176720 864544135 /nfs/dbraw/zinc/54/41/35/864544135.db2.gz SRKHRRZRLRADGK-ZBURPKILSA-N 1 3 350.507 0.486 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21)N(C)C ZINC001284176720 864544147 /nfs/dbraw/zinc/54/41/47/864544147.db2.gz SRKHRRZRLRADGK-ZBURPKILSA-N 1 3 350.507 0.486 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001296435886 865968168 /nfs/dbraw/zinc/96/81/68/865968168.db2.gz NLKJZEYMZNXAHC-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001296435886 865968181 /nfs/dbraw/zinc/96/81/81/865968181.db2.gz NLKJZEYMZNXAHC-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)CC[C@@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1cccnc1 ZINC001354879783 867684190 /nfs/dbraw/zinc/68/41/90/867684190.db2.gz OCXDVPHXMOSHOY-MYYSRTQBSA-N 1 3 352.504 0.691 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC001321610311 868538949 /nfs/dbraw/zinc/53/89/49/868538949.db2.gz ADTNHYDCQAGFKQ-SFHVURJKSA-N 1 3 370.563 0.873 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC001322519839 868842051 /nfs/dbraw/zinc/84/20/51/868842051.db2.gz HUBALMSRBLUZGF-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC001322519839 868842064 /nfs/dbraw/zinc/84/20/64/868842064.db2.gz HUBALMSRBLUZGF-IAGOWNOFSA-N 1 3 350.507 0.920 20 0 FCADHO COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OCC(N)=O ZINC001326503873 870353557 /nfs/dbraw/zinc/35/35/57/870353557.db2.gz WRYKLXQXXVJJPO-UHFFFAOYSA-N 1 3 351.447 0.889 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)COC(C)=O)CC2)CC1 ZINC001327633949 870984605 /nfs/dbraw/zinc/98/46/05/870984605.db2.gz CEOFHEIWODQSQX-MRXNPFEDSA-N 1 3 355.479 0.223 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC001329434153 872024048 /nfs/dbraw/zinc/02/40/48/872024048.db2.gz PQAMFVKQXOJARH-WCBMZHEXSA-N 1 3 362.356 0.310 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1(C)C ZINC001331056129 872937823 /nfs/dbraw/zinc/93/78/23/872937823.db2.gz IPDDILVBUSMXFY-OAHLLOKOSA-N 1 3 356.511 0.212 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC001333216191 873858287 /nfs/dbraw/zinc/85/82/87/873858287.db2.gz SJHAOHOKKDFLBH-AWEZNQCLSA-N 1 3 354.520 0.414 20 0 FCADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000291900615 214064247 /nfs/dbraw/zinc/06/42/47/214064247.db2.gz PVOZGGKYHHECMI-NVXWUHKLSA-N 1 3 364.465 0.955 20 0 FCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H](CC)[NH+](C)C)CCOCC1)N(C)C ZINC000413462141 529605405 /nfs/dbraw/zinc/60/54/05/529605405.db2.gz WQYUYSYNGAWYMB-HUUCEWRRSA-N 1 3 356.511 0.448 20 0 FCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1)N(C)C ZINC000413462141 529605408 /nfs/dbraw/zinc/60/54/08/529605408.db2.gz WQYUYSYNGAWYMB-HUUCEWRRSA-N 1 3 356.511 0.448 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961730 529797794 /nfs/dbraw/zinc/79/77/94/529797794.db2.gz IUSAIBMWFLCGDA-IDCNUPLLSA-N 1 3 360.502 0.624 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961730 529797796 /nfs/dbraw/zinc/79/77/96/529797796.db2.gz IUSAIBMWFLCGDA-IDCNUPLLSA-N 1 3 360.502 0.624 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000410492079 529865229 /nfs/dbraw/zinc/86/52/29/529865229.db2.gz INOWZVSRNPYHSC-QGZVFWFLSA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410911178 529900916 /nfs/dbraw/zinc/90/09/16/529900916.db2.gz CHHOLOKTHBEGFV-INIZCTEOSA-N 1 3 350.507 0.729 20 0 FCADHO CNC(=O)N[C@@H]1CCN(CCC(C)CC[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000411541070 529888944 /nfs/dbraw/zinc/88/89/44/529888944.db2.gz HGCYLYCFWVHWCJ-HZPDHXFCSA-N 1 3 368.526 0.409 20 0 FCADHO CNC(=O)N[C@@H]1CCN(CCC(C)CC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000411541070 529888945 /nfs/dbraw/zinc/88/89/45/529888945.db2.gz HGCYLYCFWVHWCJ-HZPDHXFCSA-N 1 3 368.526 0.409 20 0 FCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331570984 215016870 /nfs/dbraw/zinc/01/68/70/215016870.db2.gz VLIMJDPUXYKLDY-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331570984 215016873 /nfs/dbraw/zinc/01/68/73/215016873.db2.gz VLIMJDPUXYKLDY-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331572054 215017291 /nfs/dbraw/zinc/01/72/91/215017291.db2.gz LQFOVSTVXSTWNJ-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331572054 215017295 /nfs/dbraw/zinc/01/72/95/215017295.db2.gz LQFOVSTVXSTWNJ-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)CC1 ZINC000331756879 215043361 /nfs/dbraw/zinc/04/33/61/215043361.db2.gz CICHGKIKVGLIFY-DLBZAZTESA-N 1 3 350.507 0.907 20 0 FCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)CC1 ZINC000331756880 215043768 /nfs/dbraw/zinc/04/37/68/215043768.db2.gz CICHGKIKVGLIFY-IAGOWNOFSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000332156686 215103458 /nfs/dbraw/zinc/10/34/58/215103458.db2.gz ONTXAVCTFFVVQK-MDZRGWNJSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@@H+]1C ZINC000332345563 215133595 /nfs/dbraw/zinc/13/35/95/215133595.db2.gz YCGXRHPOCYIJQK-LAVFITLUSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[N@H+]1C ZINC000332345563 215133600 /nfs/dbraw/zinc/13/36/00/215133600.db2.gz YCGXRHPOCYIJQK-LAVFITLUSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333279524 215258406 /nfs/dbraw/zinc/25/84/06/215258406.db2.gz HIYJZYLFBVUSEY-HOCLYGCPSA-N 1 3 359.478 0.977 20 0 FCADHO CS[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@H]1N(C)C ZINC000333365832 215271548 /nfs/dbraw/zinc/27/15/48/215271548.db2.gz UIHCSXBWUILSGO-ZIAGYGMSSA-N 1 3 365.507 0.396 20 0 FCADHO CCN1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000334131784 215347981 /nfs/dbraw/zinc/34/79/81/215347981.db2.gz UXGBWVXIUCPCSI-UHFFFAOYSA-N 1 3 367.538 0.520 20 0 FCADHO C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1[NH+](C)C ZINC000334128387 215346821 /nfs/dbraw/zinc/34/68/21/215346821.db2.gz RHZYCDJRHKATRP-SJORKVTESA-N 1 3 367.538 0.375 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000360572507 215364656 /nfs/dbraw/zinc/36/46/56/215364656.db2.gz LWXHLKGFXNYGIH-LSDHHAIUSA-N 1 3 367.494 0.927 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000360572505 215365944 /nfs/dbraw/zinc/36/59/44/215365944.db2.gz LWXHLKGFXNYGIH-GJZGRUSLSA-N 1 3 367.494 0.927 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000285168391 213295155 /nfs/dbraw/zinc/29/51/55/213295155.db2.gz UUHQKQGEPKLSBO-HNNXBMFYSA-N 1 3 373.501 0.934 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000285168391 213295157 /nfs/dbraw/zinc/29/51/57/213295157.db2.gz UUHQKQGEPKLSBO-HNNXBMFYSA-N 1 3 373.501 0.934 20 0 FCADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)ccc1OCC[NH+](C)C ZINC000411525375 237000054 /nfs/dbraw/zinc/00/00/54/237000054.db2.gz AZUYRZHISSENOD-AWEZNQCLSA-N 1 3 350.463 0.940 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246768416 209399463 /nfs/dbraw/zinc/39/94/63/209399463.db2.gz HZRHPKAUHSWLHJ-BBWFWOEESA-N 1 3 365.522 0.807 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000246534051 209390928 /nfs/dbraw/zinc/39/09/28/209390928.db2.gz WWYUECQBMLDLPH-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCCCC2)CC1=O ZINC000246534051 209390932 /nfs/dbraw/zinc/39/09/32/209390932.db2.gz WWYUECQBMLDLPH-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000369479641 216411893 /nfs/dbraw/zinc/41/18/93/216411893.db2.gz BGHXRJILGQFEEW-WBVHZDCISA-N 1 3 354.495 0.507 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[N@H+](C)CC)c2)CC1 ZINC000187169358 209207506 /nfs/dbraw/zinc/20/75/06/209207506.db2.gz QWCKFOATWNAFFI-UHFFFAOYSA-N 1 3 361.490 0.835 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[N@@H+](C)CC)c2)CC1 ZINC000187169358 209207509 /nfs/dbraw/zinc/20/75/09/209207509.db2.gz QWCKFOATWNAFFI-UHFFFAOYSA-N 1 3 361.490 0.835 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC000187173978 209207568 /nfs/dbraw/zinc/20/75/68/209207568.db2.gz WBROUGVIWBGUAH-MRXNPFEDSA-N 1 3 373.501 0.835 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000187173978 209207571 /nfs/dbraw/zinc/20/75/71/209207571.db2.gz WBROUGVIWBGUAH-MRXNPFEDSA-N 1 3 373.501 0.835 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275572217 212053860 /nfs/dbraw/zinc/05/38/60/212053860.db2.gz ICUPLPKFFXWMCM-UHFFFAOYSA-N 1 3 364.490 0.814 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275572217 212053862 /nfs/dbraw/zinc/05/38/62/212053862.db2.gz ICUPLPKFFXWMCM-UHFFFAOYSA-N 1 3 364.490 0.814 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000275480674 212036003 /nfs/dbraw/zinc/03/60/03/212036003.db2.gz ZYJYQAFBYLVPHP-UHFFFAOYSA-N 1 3 361.490 0.787 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415244209 245369283 /nfs/dbraw/zinc/36/92/83/245369283.db2.gz MOTCHHFILZQVFC-IBGZPJMESA-N 1 3 360.458 0.907 20 0 FCADHO CS(=O)(=O)C1(C(=O)NC[C@@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000375964593 217338410 /nfs/dbraw/zinc/33/84/10/217338410.db2.gz OCQBZNULOHQJCQ-HNNXBMFYSA-N 1 3 351.472 0.156 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CN1C1CC1 ZINC000417847212 245730847 /nfs/dbraw/zinc/73/08/47/245730847.db2.gz AGUDAUYCKRPGNN-YCPHGPKFSA-N 1 3 351.495 0.641 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418807860 245834682 /nfs/dbraw/zinc/83/46/82/245834682.db2.gz QIFDLEMRMRMOIQ-ZIAGYGMSSA-N 1 3 354.495 0.454 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000419129137 246005223 /nfs/dbraw/zinc/00/52/23/246005223.db2.gz CRWBKFBDITZBQT-MRXNPFEDSA-N 1 3 364.515 0.930 20 0 FCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419162347 246025546 /nfs/dbraw/zinc/02/55/46/246025546.db2.gz GZYNPTSGSNLZPA-ROUUACIJSA-N 1 3 374.485 0.343 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)N(C)CC[NH3+])CC2)cc1 ZINC000419137845 246011195 /nfs/dbraw/zinc/01/11/95/246011195.db2.gz RJSFOTYOZBAZTO-UHFFFAOYSA-N 1 3 362.474 0.441 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419144337 246012695 /nfs/dbraw/zinc/01/26/95/246012695.db2.gz GRXIIPUANJIJBN-LSDHHAIUSA-N 1 3 364.515 0.945 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419149227 246016492 /nfs/dbraw/zinc/01/64/92/246016492.db2.gz KWAYUIVUGRNEBQ-IRXDYDNUSA-N 1 3 374.485 0.311 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419148730 246017494 /nfs/dbraw/zinc/01/74/94/246017494.db2.gz KKFHMWRULIWIIO-LJQANCHMSA-N 1 3 362.474 0.441 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419149186 246018001 /nfs/dbraw/zinc/01/80/01/246018001.db2.gz KRDVWVGOIPPHNL-ZDUSSCGKSA-N 1 3 352.504 0.882 20 0 FCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419162348 246026997 /nfs/dbraw/zinc/02/69/97/246026997.db2.gz GZYNPTSGSNLZPA-ZWKOTPCHSA-N 1 3 374.485 0.343 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419166134 246029261 /nfs/dbraw/zinc/02/92/61/246029261.db2.gz ONPAHIFOOLZWJD-ZWKOTPCHSA-N 1 3 374.485 0.247 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419175985 246034594 /nfs/dbraw/zinc/03/45/94/246034594.db2.gz YLFNHNOVGOVMSE-IXDOHACOSA-N 1 3 368.522 0.722 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223468 246062086 /nfs/dbraw/zinc/06/20/86/246062086.db2.gz DAMBXHVHIMUISW-KBAYOESNSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419222306 246062561 /nfs/dbraw/zinc/06/25/61/246062561.db2.gz BMVLPABTBAUPOS-FHLIZLRMSA-N 1 3 358.486 0.867 20 0 FCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419229634 246066952 /nfs/dbraw/zinc/06/69/52/246066952.db2.gz PBMDQZBLCDRWJR-DOTOQJQBSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000419201167 246050974 /nfs/dbraw/zinc/05/09/74/246050974.db2.gz FTDWXBGKXKNCLC-FQEVSTJZSA-N 1 3 374.485 0.455 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419231770 246071764 /nfs/dbraw/zinc/07/17/64/246071764.db2.gz SFOQOORUBSNEGL-USXIJHARSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419231768 246072280 /nfs/dbraw/zinc/07/22/80/246072280.db2.gz SFOQOORUBSNEGL-UAGQMJEPSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCC1 ZINC000419237943 246075342 /nfs/dbraw/zinc/07/53/42/246075342.db2.gz MIAKVTZWXQTHDC-CVEARBPZSA-N 1 3 366.506 0.332 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419336335 246102564 /nfs/dbraw/zinc/10/25/64/246102564.db2.gz ACXZHKZLAUUSJO-IRXDYDNUSA-N 1 3 368.522 0.354 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)Cc2ccccc2C1 ZINC000419361595 246117813 /nfs/dbraw/zinc/11/78/13/246117813.db2.gz AWFTUCXMRWVFSU-UHFFFAOYSA-N 1 3 372.513 0.980 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCC(C)CC1 ZINC000419371437 246121940 /nfs/dbraw/zinc/12/19/40/246121940.db2.gz KSWHSRMNNDFRRV-RCCFBDPRSA-N 1 3 364.534 0.927 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419371925 246123421 /nfs/dbraw/zinc/12/34/21/246123421.db2.gz LRGFQUFBDZLSGO-DLBZAZTESA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N1CCC(C)CC1 ZINC000419375441 246125021 /nfs/dbraw/zinc/12/50/21/246125021.db2.gz RMRJIRCKSKNEAJ-YESZJQIVSA-N 1 3 352.523 0.973 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000419364857 246117406 /nfs/dbraw/zinc/11/74/06/246117406.db2.gz FCDUKQGARYXTMX-MRXNPFEDSA-N 1 3 372.513 0.789 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419415678 246149598 /nfs/dbraw/zinc/14/95/98/246149598.db2.gz GEQNVEJGUIGSMQ-SFHVURJKSA-N 1 3 358.486 0.761 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419401000 246135254 /nfs/dbraw/zinc/13/52/54/246135254.db2.gz ABPAGAKGEPRDDG-XUWVNRHRSA-N 1 3 368.522 0.700 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419401000 246135260 /nfs/dbraw/zinc/13/52/60/246135260.db2.gz ABPAGAKGEPRDDG-XUWVNRHRSA-N 1 3 368.522 0.700 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402359 246136730 /nfs/dbraw/zinc/13/67/30/246136730.db2.gz CHTYJBZIGGTYLC-GOEBONIOSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402359 246136736 /nfs/dbraw/zinc/13/67/36/246136736.db2.gz CHTYJBZIGGTYLC-GOEBONIOSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419407734 246141169 /nfs/dbraw/zinc/14/11/69/246141169.db2.gz YUUGYHZXZCLJQE-RYQLBKOJSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419407734 246141173 /nfs/dbraw/zinc/14/11/73/246141173.db2.gz YUUGYHZXZCLJQE-RYQLBKOJSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000419409266 246141951 /nfs/dbraw/zinc/14/19/51/246141951.db2.gz MVPIKPUQUKMTEW-OAHLLOKOSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419427999 246157889 /nfs/dbraw/zinc/15/78/89/246157889.db2.gz SKFPMOQUEFHDSS-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000419590665 246212504 /nfs/dbraw/zinc/21/25/04/246212504.db2.gz UNHBHPHLLRZSTL-QGZVFWFLSA-N 1 3 356.536 0.388 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000419528058 246193670 /nfs/dbraw/zinc/19/36/70/246193670.db2.gz VYEXRATZWJCTTF-IRXDYDNUSA-N 1 3 366.506 0.332 20 0 FCADHO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000419664648 246237397 /nfs/dbraw/zinc/23/73/97/246237397.db2.gz MMVMLYKUQFKZOD-HOTGVXAUSA-N 1 3 359.474 0.800 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@H]1C[NH3+] ZINC000419684045 246248607 /nfs/dbraw/zinc/24/86/07/246248607.db2.gz LTBKSUOYWGBFIT-CVEARBPZSA-N 1 3 366.506 0.333 20 0 FCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419692725 246251648 /nfs/dbraw/zinc/25/16/48/246251648.db2.gz YOXPACUSEVRYLK-HNNXBMFYSA-N 1 3 354.495 0.237 20 0 FCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419692726 246252000 /nfs/dbraw/zinc/25/20/00/246252000.db2.gz YOXPACUSEVRYLK-OAHLLOKOSA-N 1 3 354.495 0.237 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[NH+]1CCCCC1 ZINC000419702297 246259792 /nfs/dbraw/zinc/25/97/92/246259792.db2.gz AVGCBLGZMVMOAW-ILXRZTDVSA-N 1 3 354.495 0.596 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419778319 246293173 /nfs/dbraw/zinc/29/31/73/246293173.db2.gz OQKWYAJTTJJKOL-DOMZBBRYSA-N 1 3 352.479 0.206 20 0 FCADHO COCCNCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419824596 246306844 /nfs/dbraw/zinc/30/68/44/246306844.db2.gz QMCRCXAOWKAFRJ-UHFFFAOYSA-N 1 3 368.522 0.644 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000419720005 246270900 /nfs/dbraw/zinc/27/09/00/246270900.db2.gz HDJCXPDNASANFK-GOSISDBHSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419727496 246272733 /nfs/dbraw/zinc/27/27/33/246272733.db2.gz LNQQVUFHRATBHL-QAPCUYQASA-N 1 3 374.485 0.514 20 0 FCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419872782 246340637 /nfs/dbraw/zinc/34/06/37/246340637.db2.gz FKGSOHFPCHWHDM-KBAYOESNSA-N 1 3 358.486 0.976 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419829364 246309604 /nfs/dbraw/zinc/30/96/04/246309604.db2.gz PRSODWHDZVFDMY-RDJZCZTQSA-N 1 3 367.538 0.010 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2CC[NH2+]CC2)c1 ZINC000419845274 246318548 /nfs/dbraw/zinc/31/85/48/246318548.db2.gz PNNGDEUBHSFJCU-UHFFFAOYSA-N 1 3 362.474 0.454 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419844413 246319009 /nfs/dbraw/zinc/31/90/09/246319009.db2.gz OFTUZXGSZGVDST-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419850397 246319898 /nfs/dbraw/zinc/31/98/98/246319898.db2.gz LJSMVQAUOJHOQL-UHFFFAOYSA-N 1 3 368.428 0.723 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423496901 247037520 /nfs/dbraw/zinc/03/75/20/247037520.db2.gz FUBDMSVYUDQTNJ-INMHGKMJSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000423607664 247072195 /nfs/dbraw/zinc/07/21/95/247072195.db2.gz JULWWLMVEHYZDJ-HIFRSBDPSA-N 1 3 352.504 0.834 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423609928 247075333 /nfs/dbraw/zinc/07/53/33/247075333.db2.gz MFFFGSYPJNEVPB-QGZVFWFLSA-N 1 3 352.504 0.836 20 0 FCADHO NCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000423663208 247100470 /nfs/dbraw/zinc/10/04/70/247100470.db2.gz GINNTNDLJZHEST-GOSISDBHSA-N 1 3 358.486 0.918 20 0 FCADHO [NH3+]CCCn1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nn1 ZINC000424217803 247178589 /nfs/dbraw/zinc/17/85/89/247178589.db2.gz OFGMJFDFXIVEEY-FUHWJXTLSA-N 1 3 354.458 0.973 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492253 247238122 /nfs/dbraw/zinc/23/81/22/247238122.db2.gz HFXSNYZARYDLTI-OQIJWPOYSA-N 1 3 370.497 0.915 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000424446039 247216783 /nfs/dbraw/zinc/21/67/83/247216783.db2.gz GTAYWZAPJHJHLS-QGZVFWFLSA-N 1 3 350.488 0.946 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000425322408 247323415 /nfs/dbraw/zinc/32/34/15/247323415.db2.gz TUYQDAOELWOLFH-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425322408 247323419 /nfs/dbraw/zinc/32/34/19/247323419.db2.gz TUYQDAOELWOLFH-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425322408 247323424 /nfs/dbraw/zinc/32/34/24/247323424.db2.gz TUYQDAOELWOLFH-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(CO)CCOCC3)CC2)CC1 ZINC000440088000 248155452 /nfs/dbraw/zinc/15/54/52/248155452.db2.gz MJHCTJSBNSFAJA-UHFFFAOYSA-N 1 3 368.522 0.633 20 0 FCADHO CC1(C)CCCN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000445150062 248374493 /nfs/dbraw/zinc/37/44/93/248374493.db2.gz HHIVWUJJCOXSCT-MRXNPFEDSA-N 1 3 367.538 0.995 20 0 FCADHO CC1(C)CCCN(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000445150062 248374495 /nfs/dbraw/zinc/37/44/95/248374495.db2.gz HHIVWUJJCOXSCT-MRXNPFEDSA-N 1 3 367.538 0.995 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000271131653 211342978 /nfs/dbraw/zinc/34/29/78/211342978.db2.gz OVHMUZIMRAPDFY-SFHVURJKSA-N 1 3 361.490 0.867 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000271131653 211342984 /nfs/dbraw/zinc/34/29/84/211342984.db2.gz OVHMUZIMRAPDFY-SFHVURJKSA-N 1 3 361.490 0.867 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)c2ccoc2CC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000270817304 211275357 /nfs/dbraw/zinc/27/53/57/211275357.db2.gz NJPFBIQDJWBSSG-GJZGRUSLSA-N 1 3 362.474 0.761 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)Cc2occc2C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000270817304 211275361 /nfs/dbraw/zinc/27/53/61/211275361.db2.gz NJPFBIQDJWBSSG-GJZGRUSLSA-N 1 3 362.474 0.761 20 0 FCADHO CNS(=O)(=O)c1ccc(C(=O)N2CC(SC)C([NH+](C)C)C2)cc1 ZINC000270443337 211204083 /nfs/dbraw/zinc/20/40/83/211204083.db2.gz IEZIGJUWUYFBOQ-KGLIPLIRSA-N 1 3 357.501 0.712 20 0 FCADHO CCN(C)C(=O)[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000473924770 250257224 /nfs/dbraw/zinc/25/72/24/250257224.db2.gz WGYAPLGSRSWSNU-CVEARBPZSA-N 1 3 355.527 0.911 20 0 FCADHO CCN(C)C(=O)[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000473924770 250257227 /nfs/dbraw/zinc/25/72/27/250257227.db2.gz WGYAPLGSRSWSNU-CVEARBPZSA-N 1 3 355.527 0.911 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000481879242 250369943 /nfs/dbraw/zinc/36/99/43/250369943.db2.gz NDRSWWXIWMNJEH-JKSUJKDBSA-N 1 3 368.522 0.044 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000069016782 208031516 /nfs/dbraw/zinc/03/15/16/208031516.db2.gz GHGBEPFJZPULGV-GASCZTMLSA-N 1 3 352.479 0.750 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000105317041 208197483 /nfs/dbraw/zinc/19/74/83/208197483.db2.gz RMJQXJFLIUROLR-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000105317041 208197490 /nfs/dbraw/zinc/19/74/90/208197490.db2.gz RMJQXJFLIUROLR-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867651 208287513 /nfs/dbraw/zinc/28/75/13/208287513.db2.gz JEUHVLZQWGWKNV-QZTJIDSGSA-N 1 3 367.538 0.519 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867651 208287519 /nfs/dbraw/zinc/28/75/19/208287519.db2.gz JEUHVLZQWGWKNV-QZTJIDSGSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CC1=O ZINC000364192840 488933608 /nfs/dbraw/zinc/93/36/08/488933608.db2.gz MEDYKQFZJHDMQT-PVAVHDDUSA-N 1 3 362.449 0.489 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3OCC(N)=O)CC2)CC1 ZINC000050800462 488114029 /nfs/dbraw/zinc/11/40/29/488114029.db2.gz XIJHRAQVSFNFTR-UHFFFAOYSA-N 1 3 374.485 0.839 20 0 FCADHO CC(=O)N1CCC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000050801062 488115239 /nfs/dbraw/zinc/11/52/39/488115239.db2.gz BKZIZEQVDURFAO-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO Cn1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000279761851 488967261 /nfs/dbraw/zinc/96/72/61/488967261.db2.gz ZZAWPYUNIZIUIK-CALCHBBNSA-N 1 3 354.454 0.648 20 0 FCADHO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000279761851 488967263 /nfs/dbraw/zinc/96/72/63/488967263.db2.gz ZZAWPYUNIZIUIK-CALCHBBNSA-N 1 3 354.454 0.648 20 0 FCADHO CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N1CCN(C)CC1 ZINC000074008869 488387158 /nfs/dbraw/zinc/38/71/58/488387158.db2.gz LOMDNDLZWSPHQP-KRWDZBQOSA-N 1 3 369.554 0.668 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074223756 488389043 /nfs/dbraw/zinc/38/90/43/488389043.db2.gz JWLKPOPWUCBVAH-KRWDZBQOSA-N 1 3 369.554 0.670 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315941 488390150 /nfs/dbraw/zinc/39/01/50/488390150.db2.gz BROQIMZNGVPOQN-IRXDYDNUSA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315941 488390152 /nfs/dbraw/zinc/39/01/52/488390152.db2.gz BROQIMZNGVPOQN-IRXDYDNUSA-N 1 3 350.507 0.587 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184511116 488396969 /nfs/dbraw/zinc/39/69/69/488396969.db2.gz IQSWCCYCLXGLOD-SJLPKXTDSA-N 1 3 354.539 0.922 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184511065 488396977 /nfs/dbraw/zinc/39/69/77/488396977.db2.gz IQSWCCYCLXGLOD-WMZOPIPTSA-N 1 3 354.539 0.922 20 0 FCADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](CO)O1 ZINC000189183238 488414094 /nfs/dbraw/zinc/41/40/94/488414094.db2.gz UOSQFRMKTFUYEN-RHSMWYFYSA-N 1 3 354.495 0.336 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077569885 488415790 /nfs/dbraw/zinc/41/57/90/488415790.db2.gz AYSRFEYWFXKNPY-UHFFFAOYSA-N 1 3 356.511 0.709 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077569885 488415791 /nfs/dbraw/zinc/41/57/91/488415791.db2.gz AYSRFEYWFXKNPY-UHFFFAOYSA-N 1 3 356.511 0.709 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1nnc2n1CCCCC2 ZINC000077758758 488417216 /nfs/dbraw/zinc/41/72/16/488417216.db2.gz ITLVCYCSLJEGDP-UHFFFAOYSA-N 1 3 365.526 0.682 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085363719 488451619 /nfs/dbraw/zinc/45/16/19/488451619.db2.gz QUIUPIZJGNTVCF-MRXNPFEDSA-N 1 3 367.538 0.912 20 0 FCADHO CSC1(CNC(=O)Nc2ccn(CCN(C)C)n2)CC[NH+](C)CC1 ZINC000562908177 491199916 /nfs/dbraw/zinc/19/99/16/491199916.db2.gz RPFRNLWLXNEOKS-UHFFFAOYSA-N 1 3 354.524 1.394 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000269309464 488489745 /nfs/dbraw/zinc/48/97/45/488489745.db2.gz VYWNZRGKJDLYJS-LJQANCHMSA-N 1 3 360.502 0.819 20 0 FCADHO CN(C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922266 491203339 /nfs/dbraw/zinc/20/33/39/491203339.db2.gz FMAIJCMRMYIFDP-IAGOWNOFSA-N 1 3 356.474 0.933 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000105263383 488508798 /nfs/dbraw/zinc/50/87/98/488508798.db2.gz DLDUJIFTZKRFDY-OAHLLOKOSA-N 1 3 353.511 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105263383 488508800 /nfs/dbraw/zinc/50/88/00/488508800.db2.gz DLDUJIFTZKRFDY-OAHLLOKOSA-N 1 3 353.511 0.665 20 0 FCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000249345714 488509027 /nfs/dbraw/zinc/50/90/27/488509027.db2.gz FCZQYYVMEXPROB-IPMKNSEASA-N 1 3 360.502 0.858 20 0 FCADHO Cc1nn(C)c(N2CCOCC2)c1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105476268 488509641 /nfs/dbraw/zinc/50/96/41/488509641.db2.gz VOWTUCQRIKODKX-UHFFFAOYSA-N 1 3 364.538 0.682 20 0 FCADHO Cc1nn(C)c(N2CCOCC2)c1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105476268 488509644 /nfs/dbraw/zinc/50/96/44/488509644.db2.gz VOWTUCQRIKODKX-UHFFFAOYSA-N 1 3 364.538 0.682 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000569969882 491207126 /nfs/dbraw/zinc/20/71/26/491207126.db2.gz HPXQFIQVUSXTRA-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000263255659 488607912 /nfs/dbraw/zinc/60/79/12/488607912.db2.gz QNUFEXKAFFCSRO-KRWDZBQOSA-N 1 3 350.463 0.343 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130661247 488639395 /nfs/dbraw/zinc/63/93/95/488639395.db2.gz SEZHQXQRYVKCBM-CVEARBPZSA-N 1 3 365.522 0.807 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130661247 488639397 /nfs/dbraw/zinc/63/93/97/488639397.db2.gz SEZHQXQRYVKCBM-CVEARBPZSA-N 1 3 365.522 0.807 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000264267144 488659193 /nfs/dbraw/zinc/65/91/93/488659193.db2.gz LSJYJDTVVZJLEE-UHFFFAOYSA-N 1 3 364.490 0.766 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C[NH+]1CCCC1 ZINC000137121083 488680273 /nfs/dbraw/zinc/68/02/73/488680273.db2.gz YLZKMLRSSCKIQB-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153276454 488729874 /nfs/dbraw/zinc/72/98/74/488729874.db2.gz GHYHUYBPZLITPD-CQSZACIVSA-N 1 3 350.467 0.374 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000153574986 488732499 /nfs/dbraw/zinc/73/24/99/488732499.db2.gz WCVIWVORUYRCKT-NVXWUHKLSA-N 1 3 354.495 0.459 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000154514098 488743773 /nfs/dbraw/zinc/74/37/73/488743773.db2.gz GKQBHRHMYZTLFP-GOSISDBHSA-N 1 3 352.523 0.774 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000154514098 488743775 /nfs/dbraw/zinc/74/37/75/488743775.db2.gz GKQBHRHMYZTLFP-GOSISDBHSA-N 1 3 352.523 0.774 20 0 FCADHO COCCCN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000154561287 488744480 /nfs/dbraw/zinc/74/44/80/488744480.db2.gz OSRPEMLVGMMAOY-UHFFFAOYSA-N 1 3 370.538 0.976 20 0 FCADHO COCCCN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000154561287 488744482 /nfs/dbraw/zinc/74/44/82/488744482.db2.gz OSRPEMLVGMMAOY-UHFFFAOYSA-N 1 3 370.538 0.976 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000154657573 488745552 /nfs/dbraw/zinc/74/55/52/488745552.db2.gz IZWNQDJAJDEOHQ-KGLIPLIRSA-N 1 3 350.467 0.372 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000156477808 488765350 /nfs/dbraw/zinc/76/53/50/488765350.db2.gz TYYZLNREKIPQJK-SFHVURJKSA-N 1 3 369.554 0.672 20 0 FCADHO O=C(C[C@@H]1CNCCO1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168097770 488812581 /nfs/dbraw/zinc/81/25/81/488812581.db2.gz DFQNYYFEWNXYNU-RTBURBONSA-N 1 3 361.486 0.927 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000175740590 488855249 /nfs/dbraw/zinc/85/52/49/488855249.db2.gz OIXHTTSXUQUPFG-UHFFFAOYSA-N 1 3 356.511 0.709 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000175740590 488855250 /nfs/dbraw/zinc/85/52/50/488855250.db2.gz OIXHTTSXUQUPFG-UHFFFAOYSA-N 1 3 356.511 0.709 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179319386 488861063 /nfs/dbraw/zinc/86/10/63/488861063.db2.gz LDMYAFWNHMATRC-GOSISDBHSA-N 1 3 369.554 0.765 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)c1 ZINC000563203012 491226868 /nfs/dbraw/zinc/22/68/68/491226868.db2.gz QYNGNFNNRFSBPD-IBGZPJMESA-N 1 3 359.518 0.608 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000288957658 489032227 /nfs/dbraw/zinc/03/22/27/489032227.db2.gz VZPQEPFHVWIGHN-OAHLLOKOSA-N 1 3 361.490 0.743 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)ccn2)C1 ZINC000329890065 489045466 /nfs/dbraw/zinc/04/54/66/489045466.db2.gz FNQLGTSIZUAGDB-JKSUJKDBSA-N 1 3 359.474 0.634 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)c2ccnc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)C1 ZINC000329890065 489045467 /nfs/dbraw/zinc/04/54/67/489045467.db2.gz FNQLGTSIZUAGDB-JKSUJKDBSA-N 1 3 359.474 0.634 20 0 FCADHO CCN1CCN(CCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365324772 489064242 /nfs/dbraw/zinc/06/42/42/489064242.db2.gz GJMITPFUKCCGOZ-SFHVURJKSA-N 1 3 351.539 0.252 20 0 FCADHO CCN1CCN(CCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365324772 489064245 /nfs/dbraw/zinc/06/42/45/489064245.db2.gz GJMITPFUKCCGOZ-SFHVURJKSA-N 1 3 351.539 0.252 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000330190733 489078215 /nfs/dbraw/zinc/07/82/15/489078215.db2.gz MOPVNKNBQVTDMZ-OAHLLOKOSA-N 1 3 350.467 0.944 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365511930 489082529 /nfs/dbraw/zinc/08/25/29/489082529.db2.gz WQDBFTKFGJBSRB-UHFFFAOYSA-N 1 3 362.478 0.641 20 0 FCADHO CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000290253618 489124813 /nfs/dbraw/zinc/12/48/13/489124813.db2.gz WPPLVCSXAAGMOB-SJORKVTESA-N 1 3 361.490 0.416 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCCCC1 ZINC000331385845 489204881 /nfs/dbraw/zinc/20/48/81/489204881.db2.gz HWZXLFKKHBQWJE-JYJNAYRXSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCC(C)CC1 ZINC000331447972 489212807 /nfs/dbraw/zinc/21/28/07/489212807.db2.gz SPAJTBJGBCJXMQ-LTIDMASMSA-N 1 3 350.507 0.809 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000298081853 489287956 /nfs/dbraw/zinc/28/79/56/489287956.db2.gz ZFGXKBHUUYIQHL-IBGZPJMESA-N 1 3 362.474 0.724 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000298081853 489287959 /nfs/dbraw/zinc/28/79/59/489287959.db2.gz ZFGXKBHUUYIQHL-IBGZPJMESA-N 1 3 362.474 0.724 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000298081857 489288091 /nfs/dbraw/zinc/28/80/91/489288091.db2.gz ZFGXKBHUUYIQHL-LJQANCHMSA-N 1 3 362.474 0.724 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000298081857 489288092 /nfs/dbraw/zinc/28/80/92/489288092.db2.gz ZFGXKBHUUYIQHL-LJQANCHMSA-N 1 3 362.474 0.724 20 0 FCADHO CN(C)CCN(C)CCC[N@H+](C)CCC(=O)Nc1sccc1C(N)=O ZINC000298363990 489320273 /nfs/dbraw/zinc/32/02/73/489320273.db2.gz CLUCPAWUEHCERF-UHFFFAOYSA-N 1 3 369.535 0.991 20 0 FCADHO CN(C)CCN(C)CCC[N@@H+](C)CCC(=O)Nc1sccc1C(N)=O ZINC000298363990 489320274 /nfs/dbraw/zinc/32/02/74/489320274.db2.gz CLUCPAWUEHCERF-UHFFFAOYSA-N 1 3 369.535 0.991 20 0 FCADHO CC[C@H](C(=O)N[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1cnn(C)c1)N(C)C ZINC000298724227 489357493 /nfs/dbraw/zinc/35/74/93/489357493.db2.gz WVZJDRWGOSNOEC-ARFHVFGLSA-N 1 3 366.510 0.374 20 0 FCADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)c1cnn(C)c1)N(C)C ZINC000298724227 489357495 /nfs/dbraw/zinc/35/74/95/489357495.db2.gz WVZJDRWGOSNOEC-ARFHVFGLSA-N 1 3 366.510 0.374 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCCC1 ZINC000563549577 491254579 /nfs/dbraw/zinc/25/45/79/491254579.db2.gz ZYZAUDPNIAEMDY-HRCADAONSA-N 1 3 351.495 0.450 20 0 FCADHO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000362787482 489397482 /nfs/dbraw/zinc/39/74/82/489397482.db2.gz ISSRLTOPSJIZMU-SFHVURJKSA-N 1 3 352.523 0.585 20 0 FCADHO CC[NH+]1CCN(CCC(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000362787480 489397761 /nfs/dbraw/zinc/39/77/61/489397761.db2.gz ISSRLTOPSJIZMU-GOSISDBHSA-N 1 3 352.523 0.585 20 0 FCADHO COC(=O)N1CC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000370758763 489398294 /nfs/dbraw/zinc/39/82/94/489398294.db2.gz WSULYJPONXVYFH-UHFFFAOYSA-N 1 3 353.467 0.295 20 0 FCADHO CN1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299525995 489451293 /nfs/dbraw/zinc/45/12/93/489451293.db2.gz RFUANTFBEOKILL-UHFFFAOYSA-N 1 3 360.506 0.941 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371225172 489468674 /nfs/dbraw/zinc/46/86/74/489468674.db2.gz GVOTXSZTIRRPPK-MSOLQXFVSA-N 1 3 369.554 0.622 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371225172 489468677 /nfs/dbraw/zinc/46/86/77/489468677.db2.gz GVOTXSZTIRRPPK-MSOLQXFVSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423093067 489492507 /nfs/dbraw/zinc/49/25/07/489492507.db2.gz FQKYPWPTDMLKTQ-CABCVRRESA-N 1 3 364.465 0.912 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423128515 489495748 /nfs/dbraw/zinc/49/57/48/489495748.db2.gz KTGMFUJWTWQJGS-SJORKVTESA-N 1 3 352.523 0.881 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423165941 489498847 /nfs/dbraw/zinc/49/88/47/489498847.db2.gz BVVZATPXYMGARM-HNNXBMFYSA-N 1 3 350.463 0.546 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000423164746 489499200 /nfs/dbraw/zinc/49/92/00/489499200.db2.gz AABOOPRFNZMUCW-HUUCEWRRSA-N 1 3 350.463 0.674 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423170286 489499683 /nfs/dbraw/zinc/49/96/83/489499683.db2.gz XRTDQQXSGWTVLV-QGZVFWFLSA-N 1 3 364.465 0.926 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423204859 489502830 /nfs/dbraw/zinc/50/28/30/489502830.db2.gz OUDBNZPEBSJXDK-UHFFFAOYSA-N 1 3 354.882 0.908 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000423208586 489502881 /nfs/dbraw/zinc/50/28/81/489502881.db2.gz ZIZLUYAOPHQZFC-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc2)CC1 ZINC000415382923 489517123 /nfs/dbraw/zinc/51/71/23/489517123.db2.gz WZXMVXDGNVQOIE-HNNXBMFYSA-N 1 3 361.490 0.616 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000415431494 489520752 /nfs/dbraw/zinc/52/07/52/489520752.db2.gz GMCIOMPOGKNKHJ-MAUKXSAKSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c2)CC1 ZINC000415448639 489522375 /nfs/dbraw/zinc/52/23/75/489522375.db2.gz VFDMZECBNNQCKJ-KRWDZBQOSA-N 1 3 361.490 0.867 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c2)CC1 ZINC000415512789 489526291 /nfs/dbraw/zinc/52/62/91/489526291.db2.gz VDRUQUQLHJMYJQ-OAHLLOKOSA-N 1 3 361.490 0.867 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415515741 489526773 /nfs/dbraw/zinc/52/67/73/489526773.db2.gz DQRPHIIOYJHYOV-OLZOCXBDSA-N 1 3 366.437 0.900 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415515746 489526868 /nfs/dbraw/zinc/52/68/68/489526868.db2.gz DQRPHIIOYJHYOV-STQMWFEESA-N 1 3 366.437 0.900 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415543854 489527766 /nfs/dbraw/zinc/52/77/66/489527766.db2.gz DUHIIFCAMJUCMQ-UHFFFAOYSA-N 1 3 356.854 0.897 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)c2)CC1 ZINC000415542155 489528042 /nfs/dbraw/zinc/52/80/42/489528042.db2.gz PPIMFJRBBBZWLU-CVEARBPZSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000415563854 489530621 /nfs/dbraw/zinc/53/06/21/489530621.db2.gz HMJXRNXUMZDGKF-OAHLLOKOSA-N 1 3 361.490 0.616 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCO1 ZINC000415595522 489534044 /nfs/dbraw/zinc/53/40/44/489534044.db2.gz HIQCUTDILCLPPH-QGZVFWFLSA-N 1 3 360.458 0.797 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CC1 ZINC000415681682 489541383 /nfs/dbraw/zinc/54/13/83/489541383.db2.gz ABPJFAXOVSEXBA-HXUWFJFHSA-N 1 3 373.501 0.964 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000415698937 489541825 /nfs/dbraw/zinc/54/18/25/489541825.db2.gz ZNISBOHNLRUEOY-SFHVURJKSA-N 1 3 366.437 0.902 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)cc2)CC1 ZINC000415782637 489552793 /nfs/dbraw/zinc/55/27/93/489552793.db2.gz BORYELGCASACTN-UHFFFAOYSA-N 1 3 373.501 0.711 20 0 FCADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000415828915 489556440 /nfs/dbraw/zinc/55/64/40/489556440.db2.gz GNTOGBDVOHOHBB-KRWDZBQOSA-N 1 3 362.474 0.962 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660926 491263257 /nfs/dbraw/zinc/26/32/57/491263257.db2.gz NDXZCHZYOIHOJN-GOEBONIOSA-N 1 3 350.507 0.966 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000415833156 489557193 /nfs/dbraw/zinc/55/71/93/489557193.db2.gz SAYQYPMDCHAMDX-CRAIPNDOSA-N 1 3 373.501 0.568 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415861682 489560506 /nfs/dbraw/zinc/56/05/06/489560506.db2.gz JIZOOLMTIMLVOP-KRWDZBQOSA-N 1 3 360.458 0.368 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000563704974 491264345 /nfs/dbraw/zinc/26/43/45/491264345.db2.gz APSMIMRVOXIHCE-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455652871 489597337 /nfs/dbraw/zinc/59/73/37/489597337.db2.gz ZQAYJJJHJFVMJE-UHFFFAOYSA-N 1 3 365.526 0.982 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](NC(=O)NC)C3)CC2)CC1 ZINC000570813852 491266422 /nfs/dbraw/zinc/26/64/22/491266422.db2.gz IQPOFNYSRIVPLU-MRXNPFEDSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000417062667 489640688 /nfs/dbraw/zinc/64/06/88/489640688.db2.gz HDISRMOGSIWLOI-QGZVFWFLSA-N 1 3 361.490 0.745 20 0 FCADHO CN(CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000417234166 489645620 /nfs/dbraw/zinc/64/56/20/489645620.db2.gz UNJUDZOVTHDCGY-QGZVFWFLSA-N 1 3 361.490 0.615 20 0 FCADHO C[C@H]1CN(CCC[NH2+]C2CCN(CCN3CCOCC3)CC2)CCCO1 ZINC000372887859 489647656 /nfs/dbraw/zinc/64/76/56/489647656.db2.gz AKLIUWDDRKEGGU-IBGZPJMESA-N 1 3 368.566 0.874 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417362057 489649429 /nfs/dbraw/zinc/64/94/29/489649429.db2.gz DIXCMVRKEARCFD-IRXDYDNUSA-N 1 3 360.506 0.972 20 0 FCADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)N1CCN(C)CC1 ZINC000457620286 489651404 /nfs/dbraw/zinc/65/14/04/489651404.db2.gz PMWNKYHUHXLOMF-QZTJIDSGSA-N 1 3 369.554 0.404 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417425993 489651657 /nfs/dbraw/zinc/65/16/57/489651657.db2.gz FNWNZTRKNSXSBO-NXOAAHMSSA-N 1 3 365.522 0.616 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)N1CCN(C)CC1 ZINC000457620283 489651668 /nfs/dbraw/zinc/65/16/68/489651668.db2.gz PMWNKYHUHXLOMF-MSOLQXFVSA-N 1 3 369.554 0.404 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000417524715 489656680 /nfs/dbraw/zinc/65/66/80/489656680.db2.gz KDOOFGOKXDLWAN-SFHVURJKSA-N 1 3 364.490 0.929 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563804491 491270043 /nfs/dbraw/zinc/27/00/43/491270043.db2.gz PJMJWJSUSKIZBW-MRXNPFEDSA-N 1 3 364.465 0.913 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458193290 489673545 /nfs/dbraw/zinc/67/35/45/489673545.db2.gz FPGCPXRHDCMVGD-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458193290 489673547 /nfs/dbraw/zinc/67/35/47/489673547.db2.gz FPGCPXRHDCMVGD-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCN1C ZINC000417993665 489674696 /nfs/dbraw/zinc/67/46/96/489674696.db2.gz AUGGKTLCNGUJIM-FRRDWIJNSA-N 1 3 351.417 0.604 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462161 489684520 /nfs/dbraw/zinc/68/45/20/489684520.db2.gz PUDOTNVYGKRZEH-ZWKOTPCHSA-N 1 3 369.554 0.406 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462161 489684522 /nfs/dbraw/zinc/68/45/22/489684522.db2.gz PUDOTNVYGKRZEH-ZWKOTPCHSA-N 1 3 369.554 0.406 20 0 FCADHO COCC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418483389 489700862 /nfs/dbraw/zinc/70/08/62/489700862.db2.gz CDDCJSZXIWYGKP-MSOLQXFVSA-N 1 3 364.490 0.405 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000418623659 489711892 /nfs/dbraw/zinc/71/18/92/489711892.db2.gz XIIJORFERLKJSL-QWHCGFSZSA-N 1 3 351.417 0.558 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623873 489712507 /nfs/dbraw/zinc/71/25/07/489712507.db2.gz XXHUYFLRLGXHGD-ZDUSSCGKSA-N 1 3 369.432 0.042 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132441 489719725 /nfs/dbraw/zinc/71/97/25/489719725.db2.gz IOEYTCHPHMFSDW-YJBOKZPZSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132441 489719729 /nfs/dbraw/zinc/71/97/29/489719729.db2.gz IOEYTCHPHMFSDW-YJBOKZPZSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132439 489719779 /nfs/dbraw/zinc/71/97/79/489719779.db2.gz IOEYTCHPHMFSDW-QAPCUYQASA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000459132439 489719782 /nfs/dbraw/zinc/71/97/82/489719782.db2.gz IOEYTCHPHMFSDW-QAPCUYQASA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418752636 489721699 /nfs/dbraw/zinc/72/16/99/489721699.db2.gz BYUHFKJHFDHHTN-QGZVFWFLSA-N 1 3 351.470 0.803 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418760965 489722837 /nfs/dbraw/zinc/72/28/37/489722837.db2.gz FPZWVYDVFBRJHI-HOTGVXAUSA-N 1 3 351.495 0.467 20 0 FCADHO CN(CC[NH3+])C(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418786501 489726636 /nfs/dbraw/zinc/72/66/36/489726636.db2.gz RZTXQMRJJQYMEU-UHFFFAOYSA-N 1 3 361.490 0.122 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459379932 489730106 /nfs/dbraw/zinc/73/01/06/489730106.db2.gz YOHDUDXEHNVEEA-OAHLLOKOSA-N 1 3 354.495 0.997 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459379932 489730110 /nfs/dbraw/zinc/73/01/10/489730110.db2.gz YOHDUDXEHNVEEA-OAHLLOKOSA-N 1 3 354.495 0.997 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000490012468 489740898 /nfs/dbraw/zinc/74/08/98/489740898.db2.gz JMQLIXRVSLSAMV-MRXNPFEDSA-N 1 3 352.504 0.416 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000418827136 489742283 /nfs/dbraw/zinc/74/22/83/489742283.db2.gz BWCIUYJFZJXUCJ-FGTMMUONSA-N 1 3 358.486 0.628 20 0 FCADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430632674 489759260 /nfs/dbraw/zinc/75/92/60/489759260.db2.gz ZAOPKQNWAFQKGN-CHWSQXEVSA-N 1 3 368.503 0.570 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418855262 489759752 /nfs/dbraw/zinc/75/97/52/489759752.db2.gz UPKBUBJWEDAZGK-CADBVGFASA-N 1 3 372.513 0.861 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000418857102 489760714 /nfs/dbraw/zinc/76/07/14/489760714.db2.gz YCULTNPKVAJECQ-SZMVWBNQSA-N 1 3 360.502 0.780 20 0 FCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418863593 489763462 /nfs/dbraw/zinc/76/34/62/489763462.db2.gz PMPBCHGPDMYEKM-DLBZAZTESA-N 1 3 360.458 0.044 20 0 FCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418863596 489764105 /nfs/dbraw/zinc/76/41/05/489764105.db2.gz PMPBCHGPDMYEKM-IAGOWNOFSA-N 1 3 360.458 0.044 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000474472355 489765400 /nfs/dbraw/zinc/76/54/00/489765400.db2.gz NVBPVBXDCHMXOA-IRXDYDNUSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000474472355 489765403 /nfs/dbraw/zinc/76/54/03/489765403.db2.gz NVBPVBXDCHMXOA-IRXDYDNUSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000430711213 489765878 /nfs/dbraw/zinc/76/58/78/489765878.db2.gz DNLCGGZJTNYRJP-PVAVHDDUSA-N 1 3 350.507 0.966 20 0 FCADHO COCCNCCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000418870738 489768169 /nfs/dbraw/zinc/76/81/69/489768169.db2.gz SOYLDSGUWXOGBM-UHFFFAOYSA-N 1 3 368.522 0.498 20 0 FCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418873649 489768688 /nfs/dbraw/zinc/76/86/88/489768688.db2.gz IICKKEGSKJTALY-BZSNNMDCSA-N 1 3 358.486 0.343 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418879948 489772744 /nfs/dbraw/zinc/77/27/44/489772744.db2.gz OFWMGQWICXTCLM-HZPDHXFCSA-N 1 3 356.511 0.435 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418883349 489774332 /nfs/dbraw/zinc/77/43/32/489774332.db2.gz UZSHUKHEUVYPOY-MSOLQXFVSA-N 1 3 374.485 0.080 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000459913818 489789698 /nfs/dbraw/zinc/78/96/98/489789698.db2.gz XJNYFZREEACMIL-UHFFFAOYSA-N 1 3 370.538 0.338 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000459913818 489789702 /nfs/dbraw/zinc/78/97/02/489789702.db2.gz XJNYFZREEACMIL-UHFFFAOYSA-N 1 3 370.538 0.338 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431298275 489800295 /nfs/dbraw/zinc/80/02/95/489800295.db2.gz TVYYDTYQQSAQBA-RDJZCZTQSA-N 1 3 365.522 0.761 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418950412 489801938 /nfs/dbraw/zinc/80/19/38/489801938.db2.gz HCYONHLFYSYPAM-IKGGRYGDSA-N 1 3 368.522 0.360 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N(C)Cc1ccccc1 ZINC000418955612 489803348 /nfs/dbraw/zinc/80/33/48/489803348.db2.gz XZJMDZNRMSLZHW-NXHRZFHOSA-N 1 3 358.486 0.691 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@@H+]1C ZINC000418970102 489807604 /nfs/dbraw/zinc/80/76/04/489807604.db2.gz WCHDMDIFSBTAKO-GZIXRCOHSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@H+]1C ZINC000418970102 489807607 /nfs/dbraw/zinc/80/76/07/489807607.db2.gz WCHDMDIFSBTAKO-GZIXRCOHSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418981003 489809066 /nfs/dbraw/zinc/80/90/66/489809066.db2.gz GDBQNRQBVUTYHY-XJKSGUPXSA-N 1 3 362.474 0.594 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000459997185 489813159 /nfs/dbraw/zinc/81/31/59/489813159.db2.gz SIZNQBWBISPAKX-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000459997185 489813162 /nfs/dbraw/zinc/81/31/62/489813162.db2.gz SIZNQBWBISPAKX-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000459997770 489813453 /nfs/dbraw/zinc/81/34/53/489813453.db2.gz UDZYACVWAPLRAF-ZWKOTPCHSA-N 1 3 364.534 0.977 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000459997770 489813459 /nfs/dbraw/zinc/81/34/59/489813459.db2.gz UDZYACVWAPLRAF-ZWKOTPCHSA-N 1 3 364.534 0.977 20 0 FCADHO CN(CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419005834 489815048 /nfs/dbraw/zinc/81/50/48/489815048.db2.gz RUYBNMBCXXVZMC-KRWDZBQOSA-N 1 3 362.474 0.119 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419005025 489815064 /nfs/dbraw/zinc/81/50/64/489815064.db2.gz RKUHUFALVYBTFC-HUUCEWRRSA-N 1 3 354.495 0.454 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419023945 489822654 /nfs/dbraw/zinc/82/26/54/489822654.db2.gz KMIDDWJGBBIBSF-FQESAXDCSA-N 1 3 364.534 0.973 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033138 489826198 /nfs/dbraw/zinc/82/61/98/489826198.db2.gz XVBHSRQTLUWIKS-CVEARBPZSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033680 489826801 /nfs/dbraw/zinc/82/68/01/489826801.db2.gz YPKFTTHTHCADDD-BZUAXINKSA-N 1 3 352.523 0.975 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000419038392 489829553 /nfs/dbraw/zinc/82/95/53/489829553.db2.gz SGBRBRXWPQDRDQ-OAHLLOKOSA-N 1 3 368.547 0.708 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068563 489843387 /nfs/dbraw/zinc/84/33/87/489843387.db2.gz FQLUYWQVSYLKFN-RHSMWYFYSA-N 1 3 364.490 1.000 20 0 FCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419076760 489847677 /nfs/dbraw/zinc/84/76/77/489847677.db2.gz IJNNBBICZCIVOF-RBSFLKMASA-N 1 3 354.495 0.596 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)c1cccc(OC)c1 ZINC000419081774 489849485 /nfs/dbraw/zinc/84/94/85/489849485.db2.gz OWDFNWMZIYGKHG-QGZVFWFLSA-N 1 3 362.474 0.530 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087551 489851325 /nfs/dbraw/zinc/85/13/25/489851325.db2.gz ZZJUYEXUXURQNO-NVXWUHKLSA-N 1 3 362.474 0.672 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000460250701 489858030 /nfs/dbraw/zinc/85/80/30/489858030.db2.gz LDNDLCSHTWZOHM-SFHVURJKSA-N 1 3 350.463 0.493 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000476028677 489862261 /nfs/dbraw/zinc/86/22/61/489862261.db2.gz CUQCHPJBTUXOEF-QGZVFWFLSA-N 1 3 356.511 0.896 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419118031 489863735 /nfs/dbraw/zinc/86/37/35/489863735.db2.gz NIMLADNECRCCSR-ZFWWWQNUSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419993965 489875961 /nfs/dbraw/zinc/87/59/61/489875961.db2.gz KZURVQYXINDFQF-RBSFLKMASA-N 1 3 354.495 0.188 20 0 FCADHO O=C(NCC1(N2CCCC2)CCOCC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433396314 489881298 /nfs/dbraw/zinc/88/12/98/489881298.db2.gz VYYBNVOTBDAKFW-HNNXBMFYSA-N 1 3 362.478 0.577 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420018749 489882310 /nfs/dbraw/zinc/88/23/10/489882310.db2.gz PYHDGHDIHHBRJD-OWCLPIDISA-N 1 3 354.495 0.189 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420023537 489884437 /nfs/dbraw/zinc/88/44/37/489884437.db2.gz APYFMTBDZPXELU-RBSFLKMASA-N 1 3 354.495 0.310 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420023537 489884440 /nfs/dbraw/zinc/88/44/40/489884440.db2.gz APYFMTBDZPXELU-RBSFLKMASA-N 1 3 354.495 0.310 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000420030898 489887304 /nfs/dbraw/zinc/88/73/04/489887304.db2.gz QJDCRBCZRJNIBT-INIZCTEOSA-N 1 3 358.486 0.965 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000420030898 489887307 /nfs/dbraw/zinc/88/73/07/489887307.db2.gz QJDCRBCZRJNIBT-INIZCTEOSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420040323 489890893 /nfs/dbraw/zinc/89/08/93/489890893.db2.gz AAEOYDRDLPKYMR-UHFFFAOYSA-N 1 3 356.417 0.709 20 0 FCADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420088781 489907139 /nfs/dbraw/zinc/90/71/39/489907139.db2.gz INQARNYWRQEJAW-GJZGRUSLSA-N 1 3 366.506 0.332 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000420097733 489911439 /nfs/dbraw/zinc/91/14/39/489911439.db2.gz AJZFFRZNUVKEBU-WMLDXEAASA-N 1 3 364.465 0.973 20 0 FCADHO CC1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC[NH2+]CC1 ZINC000420129041 489922855 /nfs/dbraw/zinc/92/28/55/489922855.db2.gz VFRTXCLLFFYPQA-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000420187465 489945110 /nfs/dbraw/zinc/94/51/10/489945110.db2.gz RJQYUFNLNALNFN-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000420187465 489945115 /nfs/dbraw/zinc/94/51/15/489945115.db2.gz RJQYUFNLNALNFN-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420205960 489952111 /nfs/dbraw/zinc/95/21/11/489952111.db2.gz JMJDMXPJHPPHFT-TWMKSMIVSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420207297 489953225 /nfs/dbraw/zinc/95/32/25/489953225.db2.gz UGADWZSMYUSETN-IKGGRYGDSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420207297 489953228 /nfs/dbraw/zinc/95/32/28/489953228.db2.gz UGADWZSMYUSETN-IKGGRYGDSA-N 1 3 366.506 0.204 20 0 FCADHO NC(=O)CCN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000420329374 489963749 /nfs/dbraw/zinc/96/37/49/489963749.db2.gz GMYBWGRXEBEYBH-GASCZTMLSA-N 1 3 362.449 0.966 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420459024 489980493 /nfs/dbraw/zinc/98/04/93/489980493.db2.gz CXFMPDOTGVUJNZ-HUUCEWRRSA-N 1 3 357.524 0.857 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477652913 489981931 /nfs/dbraw/zinc/98/19/31/489981931.db2.gz OCNZPOISDNADIW-OAHLLOKOSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477652913 489981933 /nfs/dbraw/zinc/98/19/33/489981933.db2.gz OCNZPOISDNADIW-OAHLLOKOSA-N 1 3 354.495 0.014 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420468926 489982100 /nfs/dbraw/zinc/98/21/00/489982100.db2.gz YJGYMBIMJPSTBS-SWLSCSKDSA-N 1 3 357.524 0.809 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962000 489988434 /nfs/dbraw/zinc/98/84/34/489988434.db2.gz SRUQFWJVWUSVIB-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420801333 490022877 /nfs/dbraw/zinc/02/28/77/490022877.db2.gz KHHDBSMAQMNVLP-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000564232360 491295516 /nfs/dbraw/zinc/29/55/16/491295516.db2.gz UTVAECOWIFLJLR-UHFFFAOYSA-N 1 3 352.454 0.702 20 0 FCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCSCC1 ZINC000491051494 490074825 /nfs/dbraw/zinc/07/48/25/490074825.db2.gz JPOVJRXUISMXJP-UHFFFAOYSA-N 1 3 357.568 0.703 20 0 FCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCSCC1 ZINC000491051494 490074829 /nfs/dbraw/zinc/07/48/29/490074829.db2.gz JPOVJRXUISMXJP-UHFFFAOYSA-N 1 3 357.568 0.703 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCN1CCSCC1 ZINC000491051494 490074831 /nfs/dbraw/zinc/07/48/31/490074831.db2.gz JPOVJRXUISMXJP-UHFFFAOYSA-N 1 3 357.568 0.703 20 0 FCADHO CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000545171029 490090393 /nfs/dbraw/zinc/09/03/93/490090393.db2.gz GRWWPKIHEPFEEK-FQEVSTJZSA-N 1 3 374.485 0.446 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000564290480 491298485 /nfs/dbraw/zinc/29/84/85/491298485.db2.gz JAEAKSJAHXPTPJ-BZUAXINKSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519097 490098449 /nfs/dbraw/zinc/09/84/49/490098449.db2.gz SMFQYRURQGRJGR-UONOGXRCSA-N 1 3 370.519 0.831 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496393494 490116110 /nfs/dbraw/zinc/11/61/10/490116110.db2.gz IOTVRORBUDCGCT-KRWDZBQOSA-N 1 3 368.522 0.594 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000496393494 490116112 /nfs/dbraw/zinc/11/61/12/490116112.db2.gz IOTVRORBUDCGCT-KRWDZBQOSA-N 1 3 368.522 0.594 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569474 490130934 /nfs/dbraw/zinc/13/09/34/490130934.db2.gz NFJKCLJKRBKDDC-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCCC1 ZINC000465569474 490130941 /nfs/dbraw/zinc/13/09/41/490130941.db2.gz NFJKCLJKRBKDDC-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000465840918 490146902 /nfs/dbraw/zinc/14/69/02/490146902.db2.gz KIAHFFAYRDRSGI-IXDOHACOSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000465840918 490146912 /nfs/dbraw/zinc/14/69/12/490146912.db2.gz KIAHFFAYRDRSGI-IXDOHACOSA-N 1 3 365.522 0.807 20 0 FCADHO CNC(=O)NC(=O)CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000532969924 490147210 /nfs/dbraw/zinc/14/72/10/490147210.db2.gz OTNCEWYOCQRJKD-UHFFFAOYSA-N 1 3 369.510 0.248 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556206801 491302881 /nfs/dbraw/zinc/30/28/81/491302881.db2.gz NXILGLPPOASTRR-YJBOKZPZSA-N 1 3 370.563 0.634 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556206801 491302883 /nfs/dbraw/zinc/30/28/83/491302883.db2.gz NXILGLPPOASTRR-YJBOKZPZSA-N 1 3 370.563 0.634 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000556205759 491302979 /nfs/dbraw/zinc/30/29/79/491302979.db2.gz IONDSYQECYFYLY-QGZVFWFLSA-N 1 3 358.552 0.730 20 0 FCADHO CCN1CCN(CCCCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000506939885 490156828 /nfs/dbraw/zinc/15/68/28/490156828.db2.gz LGVWLBVAHOBVAO-UHFFFAOYSA-N 1 3 369.554 0.814 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000422120244 490172605 /nfs/dbraw/zinc/17/26/05/490172605.db2.gz PNQLFWCAAOZRHC-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120244 490172608 /nfs/dbraw/zinc/17/26/08/490172608.db2.gz PNQLFWCAAOZRHC-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)CC1 ZINC000498033684 490247136 /nfs/dbraw/zinc/24/71/36/490247136.db2.gz VSURCDPBZWJXRI-KURKYZTESA-N 1 3 369.554 0.357 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422374198 490286270 /nfs/dbraw/zinc/28/62/70/490286270.db2.gz CEEMCSMASCWNIE-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422374198 490286280 /nfs/dbraw/zinc/28/62/80/490286280.db2.gz CEEMCSMASCWNIE-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1=CCN(C)CC1 ZINC000571555500 491315686 /nfs/dbraw/zinc/31/56/86/491315686.db2.gz QCIDNWPJPPCSEV-HNNXBMFYSA-N 1 3 350.507 0.991 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484088 490351164 /nfs/dbraw/zinc/35/11/64/490351164.db2.gz BWIWKBXXKMHBSO-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484088 490351169 /nfs/dbraw/zinc/35/11/69/490351169.db2.gz BWIWKBXXKMHBSO-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000422488432 490353334 /nfs/dbraw/zinc/35/33/34/490353334.db2.gz NBJQGEQTKHWOTB-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000422488432 490353339 /nfs/dbraw/zinc/35/33/39/490353339.db2.gz NBJQGEQTKHWOTB-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[NH+]1CCCC1 ZINC000448499079 490357620 /nfs/dbraw/zinc/35/76/20/490357620.db2.gz MFMKTHFOINLRBA-OAHLLOKOSA-N 1 3 364.494 0.620 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422496346 490360644 /nfs/dbraw/zinc/36/06/44/490360644.db2.gz TZKWQCPQNHYVQW-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422496346 490360649 /nfs/dbraw/zinc/36/06/49/490360649.db2.gz TZKWQCPQNHYVQW-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[N@H+](C)C1CC1)C1CC1 ZINC000484063588 490378461 /nfs/dbraw/zinc/37/84/61/490378461.db2.gz FDFBTFYNLPAHAW-IAGOWNOFSA-N 1 3 350.507 0.824 20 0 FCADHO CN(CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[N@@H+](C)C1CC1)C1CC1 ZINC000484063588 490378465 /nfs/dbraw/zinc/37/84/65/490378465.db2.gz FDFBTFYNLPAHAW-IAGOWNOFSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000449351136 490411521 /nfs/dbraw/zinc/41/15/21/490411521.db2.gz YFOIQRSFZOIEIV-CRAIPNDOSA-N 1 3 358.486 0.984 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706648 490424853 /nfs/dbraw/zinc/42/48/53/490424853.db2.gz OAGCWESUNYXMEX-ARFHVFGLSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000509831473 490468689 /nfs/dbraw/zinc/46/86/89/490468689.db2.gz CBKWCCBYCJJWGL-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000509831473 490468694 /nfs/dbraw/zinc/46/86/94/490468694.db2.gz CBKWCCBYCJJWGL-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CCOC(=O)C1([C@@H](C)NCCS(=O)(=O)N(CC)CC)CC[NH2+]CC1 ZINC000422862245 490488508 /nfs/dbraw/zinc/48/85/08/490488508.db2.gz PMOUZZLZMPJYFM-CQSZACIVSA-N 1 3 363.524 0.569 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915765 490503271 /nfs/dbraw/zinc/50/32/71/490503271.db2.gz KAQMWNAKTJDUFE-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523915765 490503278 /nfs/dbraw/zinc/50/32/78/490503278.db2.gz KAQMWNAKTJDUFE-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676469 490512223 /nfs/dbraw/zinc/51/22/23/490512223.db2.gz NYNCIMUIRRZYRZ-HNNXBMFYSA-N 1 3 360.462 0.923 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535676469 490512229 /nfs/dbraw/zinc/51/22/29/490512229.db2.gz NYNCIMUIRRZYRZ-HNNXBMFYSA-N 1 3 360.462 0.923 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500432053 490514716 /nfs/dbraw/zinc/51/47/16/490514716.db2.gz MOFRXBBRCBEJII-UHFFFAOYSA-N 1 3 368.522 0.593 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[C@@H](C)C2)CC1=O ZINC000524775068 490558980 /nfs/dbraw/zinc/55/89/80/490558980.db2.gz OPVKVPMXPHTFRL-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CC[C@@H](C)C2)CC1=O ZINC000524775068 490558985 /nfs/dbraw/zinc/55/89/85/490558985.db2.gz OPVKVPMXPHTFRL-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958136 491339760 /nfs/dbraw/zinc/33/97/60/491339760.db2.gz JARNTSJVCMFVDJ-YOEHRIQHSA-N 1 3 362.474 0.769 20 0 FCADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000501643389 490629434 /nfs/dbraw/zinc/62/94/34/490629434.db2.gz VWVPXAJFXTWMAS-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000501643389 490629436 /nfs/dbraw/zinc/62/94/36/490629436.db2.gz VWVPXAJFXTWMAS-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501637636 490629625 /nfs/dbraw/zinc/62/96/25/490629625.db2.gz JFGINNWDLIUSEJ-NVXWUHKLSA-N 1 3 366.506 0.156 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501640400 490629726 /nfs/dbraw/zinc/62/97/26/490629726.db2.gz OZRAZTRSCANDNO-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501640400 490629729 /nfs/dbraw/zinc/62/97/29/490629729.db2.gz OZRAZTRSCANDNO-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO CO[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)[C@H](C[NH3+])C1 ZINC000564970566 491341743 /nfs/dbraw/zinc/34/17/43/491341743.db2.gz MCFCRPYVCPRTSI-LSDHHAIUSA-N 1 3 373.523 0.188 20 0 FCADHO CN(C)[C@H](CNC(=O)CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001202 491341942 /nfs/dbraw/zinc/34/19/42/491341942.db2.gz BEWWFQKTKXAEDV-RBUKOAKNSA-N 1 3 359.518 0.385 20 0 FCADHO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848915 490646921 /nfs/dbraw/zinc/64/69/21/490646921.db2.gz HQSOZRSZAOARAS-MOPGFXCFSA-N 1 3 357.539 0.748 20 0 FCADHO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848915 490646924 /nfs/dbraw/zinc/64/69/24/490646924.db2.gz HQSOZRSZAOARAS-MOPGFXCFSA-N 1 3 357.539 0.748 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550266236 490649590 /nfs/dbraw/zinc/64/95/90/490649590.db2.gz SGTMSNHELPFORF-UHFFFAOYSA-N 1 3 369.554 0.364 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000550463837 490671479 /nfs/dbraw/zinc/67/14/79/490671479.db2.gz GGLYWSVOZHVZKU-MRXNPFEDSA-N 1 3 350.507 0.991 20 0 FCADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000564997152 491345430 /nfs/dbraw/zinc/34/54/30/491345430.db2.gz YZRGZMHFKOLQMK-KRWDZBQOSA-N 1 3 350.507 0.969 20 0 FCADHO CN(CC[NH+]1CCCC1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512830638 490700588 /nfs/dbraw/zinc/70/05/88/490700588.db2.gz BABROXNCJGSOCL-UHFFFAOYSA-N 1 3 355.527 0.114 20 0 FCADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1-n1cnnn1 ZINC000527126775 490700951 /nfs/dbraw/zinc/70/09/51/490700951.db2.gz KDAIQXGQFLNGNB-UHFFFAOYSA-N 1 3 360.466 0.928 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747369 490728819 /nfs/dbraw/zinc/72/88/19/490728819.db2.gz GETUXCZSQYADEX-OAHLLOKOSA-N 1 3 362.540 0.142 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)CC ZINC000487747369 490728822 /nfs/dbraw/zinc/72/88/22/490728822.db2.gz GETUXCZSQYADEX-OAHLLOKOSA-N 1 3 362.540 0.142 20 0 FCADHO CC[N@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000502994342 490734863 /nfs/dbraw/zinc/73/48/63/490734863.db2.gz HVUKVWIUFRXRTN-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO CC[N@@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000502994342 490734864 /nfs/dbraw/zinc/73/48/64/490734864.db2.gz HVUKVWIUFRXRTN-UHFFFAOYSA-N 1 3 353.511 0.666 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000488618718 490767645 /nfs/dbraw/zinc/76/76/45/490767645.db2.gz GQXDFTZXZSJZDF-QFBILLFUSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000488618718 490767647 /nfs/dbraw/zinc/76/76/47/490767647.db2.gz GQXDFTZXZSJZDF-QFBILLFUSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000539283772 490774982 /nfs/dbraw/zinc/77/49/82/490774982.db2.gz ZURZWKXNKXNAIX-KRWDZBQOSA-N 1 3 362.474 0.301 20 0 FCADHO CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000539283772 490774984 /nfs/dbraw/zinc/77/49/84/490774984.db2.gz ZURZWKXNKXNAIX-KRWDZBQOSA-N 1 3 362.474 0.301 20 0 FCADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000514864588 490794461 /nfs/dbraw/zinc/79/44/61/490794461.db2.gz HSVMSWUTRPRARE-WMZOPIPTSA-N 1 3 372.517 0.978 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@H+](C)C(C)C ZINC000540051788 490806336 /nfs/dbraw/zinc/80/63/36/490806336.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 1 3 358.552 0.727 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@@H+](C)C(C)C ZINC000540051788 490806338 /nfs/dbraw/zinc/80/63/38/490806338.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 1 3 358.552 0.727 20 0 FCADHO CC(C)N(C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000540051788 490806341 /nfs/dbraw/zinc/80/63/41/490806341.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 1 3 358.552 0.727 20 0 FCADHO CC(C)N(C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000540051788 490806343 /nfs/dbraw/zinc/80/63/43/490806343.db2.gz RJJPHNZRGSRMPY-HNNXBMFYSA-N 1 3 358.552 0.727 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CN(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000540322861 490817684 /nfs/dbraw/zinc/81/76/84/490817684.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 1 3 356.555 0.414 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000540322861 490817686 /nfs/dbraw/zinc/81/76/86/490817686.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 1 3 356.555 0.414 20 0 FCADHO O=C(C[C@@H]1COCCN1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000516650387 490873013 /nfs/dbraw/zinc/87/30/13/490873013.db2.gz USWVHRTVDOOZFI-MRXNPFEDSA-N 1 3 361.490 0.961 20 0 FCADHO Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000516989374 490889601 /nfs/dbraw/zinc/88/96/01/490889601.db2.gz ZTBUPURTPXHHGT-CYBMUJFWSA-N 1 3 367.494 0.290 20 0 FCADHO Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000516989374 490889604 /nfs/dbraw/zinc/88/96/04/490889604.db2.gz ZTBUPURTPXHHGT-CYBMUJFWSA-N 1 3 367.494 0.290 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C(=O)OC)[C@H](C)O)CC2)CC1 ZINC000517173288 490897663 /nfs/dbraw/zinc/89/76/63/490897663.db2.gz WCPLZTOITXFCFF-BBRMVZONSA-N 1 3 355.479 0.221 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530654410 490917848 /nfs/dbraw/zinc/91/78/48/490917848.db2.gz NSAUBTVZESANOE-NRFANRHFSA-N 1 3 374.529 0.766 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000517738691 490918622 /nfs/dbraw/zinc/91/86/22/490918622.db2.gz OSLWDPHYBWLRJR-SJORKVTESA-N 1 3 363.506 0.563 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000517738691 490918624 /nfs/dbraw/zinc/91/86/24/490918624.db2.gz OSLWDPHYBWLRJR-SJORKVTESA-N 1 3 363.506 0.563 20 0 FCADHO COC[C@]1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000517735885 490918656 /nfs/dbraw/zinc/91/86/56/490918656.db2.gz ASSYAEXWVMOTEO-FQEVSTJZSA-N 1 3 361.486 0.886 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000517998529 490927581 /nfs/dbraw/zinc/92/75/81/490927581.db2.gz YGNHREFEOARGIE-ZACQAIPSSA-N 1 3 366.506 0.081 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(F)cc1F ZINC000530881238 490929910 /nfs/dbraw/zinc/92/99/10/490929910.db2.gz GDXIWSVNEFJVLH-UHFFFAOYSA-N 1 3 356.417 0.646 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000518134230 490931276 /nfs/dbraw/zinc/93/12/76/490931276.db2.gz JXWOLDVUXVJLNN-OAHLLOKOSA-N 1 3 361.494 0.986 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000518134230 490931279 /nfs/dbraw/zinc/93/12/79/490931279.db2.gz JXWOLDVUXVJLNN-OAHLLOKOSA-N 1 3 361.494 0.986 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@H]3CC(N)=O)CC2)CC1 ZINC000518214815 490933440 /nfs/dbraw/zinc/93/34/40/490933440.db2.gz CPRUTHYTJMGRNU-QGZVFWFLSA-N 1 3 366.506 0.286 20 0 FCADHO CCN(CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000518290304 490935828 /nfs/dbraw/zinc/93/58/28/490935828.db2.gz GHPQXBJQQQQXEK-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1nc(-c2ncccn2)no1 ZINC000531119102 490941618 /nfs/dbraw/zinc/94/16/18/490941618.db2.gz AIHYSXQVEXBVES-UHFFFAOYSA-N 1 3 361.450 0.411 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)c1ccc(F)cc1 ZINC000531357938 490953537 /nfs/dbraw/zinc/95/35/37/490953537.db2.gz SVRLPABOSUWYLK-UHFFFAOYSA-N 1 3 352.454 0.897 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000519435388 490972102 /nfs/dbraw/zinc/97/21/02/490972102.db2.gz NYCIKROOKWPUDH-QGZVFWFLSA-N 1 3 356.536 0.483 20 0 FCADHO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000544685792 490976434 /nfs/dbraw/zinc/97/64/34/490976434.db2.gz RJJKYTSNPGHNBM-OWCLPIDISA-N 1 3 368.547 0.435 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CN1C1CC1 ZINC000519567624 490977214 /nfs/dbraw/zinc/97/72/14/490977214.db2.gz MEQZICNPKFBIRX-HLLBOEOZSA-N 1 3 366.506 0.297 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000519691291 490984236 /nfs/dbraw/zinc/98/42/36/490984236.db2.gz RWLPSFPXOGRLIR-MBNYWOFBSA-N 1 3 363.428 0.747 20 0 FCADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)COC1CCOCC1 ZINC000569568172 491168817 /nfs/dbraw/zinc/16/88/17/491168817.db2.gz GLLHXLMYRMUNMC-NEWSRXKRSA-N 1 3 356.507 0.900 20 0 FCADHO O[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)COC1CCOCC1 ZINC000569568172 491168818 /nfs/dbraw/zinc/16/88/18/491168818.db2.gz GLLHXLMYRMUNMC-NEWSRXKRSA-N 1 3 356.507 0.900 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)C1(CC(=O)N[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000554135950 491179876 /nfs/dbraw/zinc/17/98/76/491179876.db2.gz SZWNPHLNBZQILY-GJZGRUSLSA-N 1 3 356.511 0.306 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)CC1(C(=O)N[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000554135950 491179877 /nfs/dbraw/zinc/17/98/77/491179877.db2.gz SZWNPHLNBZQILY-GJZGRUSLSA-N 1 3 356.511 0.306 20 0 FCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000572620982 491382032 /nfs/dbraw/zinc/38/20/32/491382032.db2.gz WNMOUCHNJHAEGZ-IXDOHACOSA-N 1 3 362.518 0.968 20 0 FCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000565882812 491404787 /nfs/dbraw/zinc/40/47/87/491404787.db2.gz VCEUCHDTNZTGFT-UHFFFAOYSA-N 1 3 361.490 0.919 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000558210474 491419988 /nfs/dbraw/zinc/41/99/88/491419988.db2.gz TUTVDLWOYNRMAL-BRWVUGGUSA-N 1 3 368.522 0.545 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000558210475 491420085 /nfs/dbraw/zinc/42/00/85/491420085.db2.gz TUTVDLWOYNRMAL-GVDBMIGSSA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)(CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000566166079 491421885 /nfs/dbraw/zinc/42/18/85/491421885.db2.gz YBQJEHAPCCTNPG-QGZVFWFLSA-N 1 3 358.486 0.808 20 0 FCADHO NC1(C[NH2+]CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 ZINC000566244252 491429991 /nfs/dbraw/zinc/42/99/91/491429991.db2.gz QMWJCIBQSNWXCQ-UHFFFAOYSA-N 1 3 369.487 0.557 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000573476569 491435866 /nfs/dbraw/zinc/43/58/66/491435866.db2.gz SOFZCGDPECVJIS-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO N[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000566615489 491456336 /nfs/dbraw/zinc/45/63/36/491456336.db2.gz MKLMWODTLKUUHB-HLIPFELVSA-N 1 3 358.486 0.710 20 0 FCADHO C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000559264883 491459226 /nfs/dbraw/zinc/45/92/26/491459226.db2.gz HJRSTWNKMKHZKT-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574145936 491477511 /nfs/dbraw/zinc/47/75/11/491477511.db2.gz QZVCTALNRCEEKQ-ZMSDIMECSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000574145936 491477512 /nfs/dbraw/zinc/47/75/12/491477512.db2.gz QZVCTALNRCEEKQ-ZMSDIMECSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569552 491482026 /nfs/dbraw/zinc/48/20/26/491482026.db2.gz ZDQDBWDDWAUWPP-GJZGRUSLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559569553 491482326 /nfs/dbraw/zinc/48/23/26/491482326.db2.gz ZDQDBWDDWAUWPP-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567062557 491483852 /nfs/dbraw/zinc/48/38/52/491483852.db2.gz ANNWHVVVOIUAOY-ROUUACIJSA-N 1 3 373.501 0.980 20 0 FCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567062557 491483853 /nfs/dbraw/zinc/48/38/53/491483853.db2.gz ANNWHVVVOIUAOY-ROUUACIJSA-N 1 3 373.501 0.980 20 0 FCADHO CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCCC1 ZINC000567250579 491494706 /nfs/dbraw/zinc/49/47/06/491494706.db2.gz PKGMCOFXFBMHMS-IKGGRYGDSA-N 1 3 365.522 0.840 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CNCc2ccccc21 ZINC000574451400 491497618 /nfs/dbraw/zinc/49/76/18/491497618.db2.gz NYDJNMVFIBBZEE-CABCVRRESA-N 1 3 356.392 0.826 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CNCc2ccccc21 ZINC000574451403 491497804 /nfs/dbraw/zinc/49/78/04/491497804.db2.gz NYDJNMVFIBBZEE-LSDHHAIUSA-N 1 3 356.392 0.826 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000559863035 491505735 /nfs/dbraw/zinc/50/57/35/491505735.db2.gz NLCIYSKJUMLHQO-GOSISDBHSA-N 1 3 370.563 0.921 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000559868916 491506671 /nfs/dbraw/zinc/50/66/71/491506671.db2.gz YDYDMRDURGHKFN-KEYYUXOJSA-N 1 3 356.536 0.339 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000559868916 491506675 /nfs/dbraw/zinc/50/66/75/491506675.db2.gz YDYDMRDURGHKFN-KEYYUXOJSA-N 1 3 356.536 0.339 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C[NH+]1CCCC1 ZINC000560013073 491514379 /nfs/dbraw/zinc/51/43/79/491514379.db2.gz HXDOEQBEKARVHG-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560027871 491516435 /nfs/dbraw/zinc/51/64/35/491516435.db2.gz MOJZQRSGUUKVGD-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560027871 491516436 /nfs/dbraw/zinc/51/64/36/491516436.db2.gz MOJZQRSGUUKVGD-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO COC1CCN(CCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000683378091 493348217 /nfs/dbraw/zinc/34/82/17/493348217.db2.gz BOVISIRGHKVPFG-INIZCTEOSA-N 1 3 356.511 0.897 20 0 FCADHO COC1CCN(CCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000683378091 493348218 /nfs/dbraw/zinc/34/82/18/493348218.db2.gz BOVISIRGHKVPFG-INIZCTEOSA-N 1 3 356.511 0.897 20 0 FCADHO CN(C[C@@H](O)C[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000567725658 491525246 /nfs/dbraw/zinc/52/52/46/491525246.db2.gz DKMQJRYGKYJTNS-KRWDZBQOSA-N 1 3 354.539 0.658 20 0 FCADHO Cc1noc([C@@H]2CC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)O2)n1 ZINC000574896999 491526158 /nfs/dbraw/zinc/52/61/58/491526158.db2.gz XJMQXZCZVVIMDD-CABCVRRESA-N 1 3 368.482 0.733 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574910915 491527069 /nfs/dbraw/zinc/52/70/69/491527069.db2.gz BFRHLRBDSKAWAK-KURKYZTESA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000560299833 491529897 /nfs/dbraw/zinc/52/98/97/491529897.db2.gz QEOYMYCFZKTEFM-UHFFFAOYSA-N 1 3 369.554 0.317 20 0 FCADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCN2CCNC2=O)CC1 ZINC000575090168 491538565 /nfs/dbraw/zinc/53/85/65/491538565.db2.gz OLVIQSWRNYOECK-UHFFFAOYSA-N 1 3 365.522 0.716 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)O1 ZINC000575174433 491543587 /nfs/dbraw/zinc/54/35/87/491543587.db2.gz FFNSRWDYSRUGBY-KURKYZTESA-N 1 3 355.523 0.691 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1=O ZINC000560596923 491546334 /nfs/dbraw/zinc/54/63/34/491546334.db2.gz YWTGALVHYWTKMG-WCXIOVBPSA-N 1 3 368.522 0.543 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321353 491548890 /nfs/dbraw/zinc/54/88/90/491548890.db2.gz YLOQAPUNRUZXTA-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000568047376 491549872 /nfs/dbraw/zinc/54/98/72/491549872.db2.gz LRBWTJBRTMXVPB-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000568207897 491559328 /nfs/dbraw/zinc/55/93/28/491559328.db2.gz RKDAVRYOGYKGEP-SFHVURJKSA-N 1 3 371.485 0.941 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568294364 491568011 /nfs/dbraw/zinc/56/80/11/491568011.db2.gz PYUCXWJLKZBVEJ-MSOLQXFVSA-N 1 3 358.486 0.615 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568294366 491568063 /nfs/dbraw/zinc/56/80/63/491568063.db2.gz PYUCXWJLKZBVEJ-ROUUACIJSA-N 1 3 358.486 0.615 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000575888677 491568316 /nfs/dbraw/zinc/56/83/16/491568316.db2.gz FYLAUHCFUFUBDS-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000561113230 491575162 /nfs/dbraw/zinc/57/51/62/491575162.db2.gz KCAMWJKZRPNGHS-UHFFFAOYSA-N 1 3 356.511 0.402 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCCO1 ZINC000576027013 491577063 /nfs/dbraw/zinc/57/70/63/491577063.db2.gz IJTPNSXZNVZNRD-HOTGVXAUSA-N 1 3 352.479 0.040 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)N(C)C1CC1 ZINC000561183675 491581086 /nfs/dbraw/zinc/58/10/86/491581086.db2.gz NQVASYDTWXUESR-OAHLLOKOSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000561194658 491581819 /nfs/dbraw/zinc/58/18/19/491581819.db2.gz RLHOTLZVVCGHDH-HNNXBMFYSA-N 1 3 368.522 0.545 20 0 FCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000568608991 491591464 /nfs/dbraw/zinc/59/14/64/491591464.db2.gz RAQMIIRAPUOWNW-HOCLYGCPSA-N 1 3 351.495 0.500 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576224860 491593991 /nfs/dbraw/zinc/59/39/91/491593991.db2.gz HFAVIVOBQDDRCT-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CCOC(=O)CC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000577172174 491598170 /nfs/dbraw/zinc/59/81/70/491598170.db2.gz KVFOBNCPHNKGCU-INIZCTEOSA-N 1 3 357.495 0.077 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000576293251 491602596 /nfs/dbraw/zinc/60/25/96/491602596.db2.gz NXJBPPATVIQWIU-ZWKOTPCHSA-N 1 3 358.486 0.630 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000568745671 491605559 /nfs/dbraw/zinc/60/55/59/491605559.db2.gz YUUNXOXHHRHSOZ-INMHGKMJSA-N 1 3 366.506 0.202 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412670 491620396 /nfs/dbraw/zinc/62/03/96/491620396.db2.gz VOUICTIBILAPNW-YKUDKROBSA-N 1 3 361.490 0.093 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968641 491643519 /nfs/dbraw/zinc/64/35/19/491643519.db2.gz OFXKXMWQIDJLPZ-GDBMZVCRSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968641 491643520 /nfs/dbraw/zinc/64/35/20/491643520.db2.gz OFXKXMWQIDJLPZ-GDBMZVCRSA-N 1 3 350.507 0.990 20 0 FCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000577741587 491647680 /nfs/dbraw/zinc/64/76/80/491647680.db2.gz QSAPRJHQXFGVGZ-IPMKNSEASA-N 1 3 357.502 0.806 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000562103130 491653146 /nfs/dbraw/zinc/65/31/46/491653146.db2.gz JBGPNDVKPYVOCO-GHTZIAJQSA-N 1 3 374.529 0.766 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC[NH2+]CC1 ZINC000569458508 491663652 /nfs/dbraw/zinc/66/36/52/491663652.db2.gz MBQQZNXWSAIJTI-ZBFHGGJFSA-N 1 3 369.531 0.629 20 0 FCADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000579259591 491694224 /nfs/dbraw/zinc/69/42/24/491694224.db2.gz XLLYKTJBVPQCHA-FUHWJXTLSA-N 1 3 374.485 0.791 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCCCCC1 ZINC000579572919 491700669 /nfs/dbraw/zinc/70/06/69/491700669.db2.gz HGMDXVHIDBJBPR-IAGOWNOFSA-N 1 3 367.538 0.105 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000579715221 491703694 /nfs/dbraw/zinc/70/36/94/491703694.db2.gz UIDDBJDJFPIRFA-BZUAXINKSA-N 1 3 354.495 0.250 20 0 FCADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781438 491714242 /nfs/dbraw/zinc/71/42/42/491714242.db2.gz OOGLTJXPRGIBIX-IAGOWNOFSA-N 1 3 374.485 0.886 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](CN)C1 ZINC000580533516 491734924 /nfs/dbraw/zinc/73/49/24/491734924.db2.gz VDODROFUVLPJDN-SJORKVTESA-N 1 3 365.522 0.001 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](CN)C1 ZINC000580533516 491734925 /nfs/dbraw/zinc/73/49/25/491734925.db2.gz VDODROFUVLPJDN-SJORKVTESA-N 1 3 365.522 0.001 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(CCO)CC3)CC2)CC1 ZINC000581080663 491758919 /nfs/dbraw/zinc/75/89/19/491758919.db2.gz UAGSBAKNSXKSGX-UHFFFAOYSA-N 1 3 352.523 0.319 20 0 FCADHO CN1CCN(c2ncc(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000581199880 491763674 /nfs/dbraw/zinc/76/36/74/491763674.db2.gz KMHPJBNXALBVNX-LJQANCHMSA-N 1 3 374.533 0.915 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000581613766 491780234 /nfs/dbraw/zinc/78/02/34/491780234.db2.gz WDJQZICLYOTVJS-UHFFFAOYSA-N 1 3 368.522 0.579 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581737623 491785163 /nfs/dbraw/zinc/78/51/63/491785163.db2.gz MQLQAMHJOBRKMG-VVLHAWIVSA-N 1 3 350.507 0.727 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000590798270 491787214 /nfs/dbraw/zinc/78/72/14/491787214.db2.gz GQSLHYQBAKPRTH-UHFFFAOYSA-N 1 3 364.494 0.875 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CN1C1CC1 ZINC000582434710 491812389 /nfs/dbraw/zinc/81/23/89/491812389.db2.gz HSUXFYHEJKINGR-PBFPGSCMSA-N 1 3 354.520 0.281 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCOC)C(=O)OC)CC2)CC1 ZINC000582616793 491820085 /nfs/dbraw/zinc/82/00/85/491820085.db2.gz MVRDALAFKHPJNI-KRWDZBQOSA-N 1 3 369.506 0.877 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000582625904 491820567 /nfs/dbraw/zinc/82/05/67/491820567.db2.gz ANSPYUCQPIIYOM-UHFFFAOYSA-N 1 3 368.522 0.596 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000582625904 491820568 /nfs/dbraw/zinc/82/05/68/491820568.db2.gz ANSPYUCQPIIYOM-UHFFFAOYSA-N 1 3 368.522 0.596 20 0 FCADHO C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCN(C(=O)CN)C1 ZINC000583131959 491838592 /nfs/dbraw/zinc/83/85/92/491838592.db2.gz PMGMQGUZIHETMF-CQSZACIVSA-N 1 3 358.442 0.412 20 0 FCADHO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCN(C(=O)CN)C1 ZINC000583131959 491838593 /nfs/dbraw/zinc/83/85/93/491838593.db2.gz PMGMQGUZIHETMF-CQSZACIVSA-N 1 3 358.442 0.412 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)CC1 ZINC000583762214 491851620 /nfs/dbraw/zinc/85/16/20/491851620.db2.gz NPMSGJCLCRWNPM-QGZVFWFLSA-N 1 3 362.522 0.685 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000584257565 491861778 /nfs/dbraw/zinc/86/17/78/491861778.db2.gz YMUREDJEWZQARK-QKPAOTATSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000584257565 491861779 /nfs/dbraw/zinc/86/17/79/491861779.db2.gz YMUREDJEWZQARK-QKPAOTATSA-N 1 3 350.507 0.964 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881723 491870757 /nfs/dbraw/zinc/87/07/57/491870757.db2.gz GWKYYCKEALDNJF-IXDOHACOSA-N 1 3 357.458 0.064 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881723 491870759 /nfs/dbraw/zinc/87/07/59/491870759.db2.gz GWKYYCKEALDNJF-IXDOHACOSA-N 1 3 357.458 0.064 20 0 FCADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594604 491936684 /nfs/dbraw/zinc/93/66/84/491936684.db2.gz NFPZYVYNSPNNNS-MRXNPFEDSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612907995 491958237 /nfs/dbraw/zinc/95/82/37/491958237.db2.gz AJAGPKKCBLOGHS-LSDHHAIUSA-N 1 3 363.510 0.658 20 0 FCADHO [NH3+]C1(CNC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC1 ZINC000612917455 491958396 /nfs/dbraw/zinc/95/83/96/491958396.db2.gz WDKJWNYSWAQYRO-CQSZACIVSA-N 1 3 361.494 0.590 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916537 491958566 /nfs/dbraw/zinc/95/85/66/491958566.db2.gz AXSDZBHDACJDOJ-CABCVRRESA-N 1 3 363.510 0.692 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612970854 491960238 /nfs/dbraw/zinc/96/02/38/491960238.db2.gz QEZOGGULTNMMCZ-OAHLLOKOSA-N 1 3 351.495 0.324 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604205976 492054480 /nfs/dbraw/zinc/05/44/80/492054480.db2.gz ZGCIPZMLJVFEFZ-OAHLLOKOSA-N 1 3 351.495 0.419 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604205976 492054481 /nfs/dbraw/zinc/05/44/81/492054481.db2.gz ZGCIPZMLJVFEFZ-OAHLLOKOSA-N 1 3 351.495 0.419 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000605882267 492105075 /nfs/dbraw/zinc/10/50/75/492105075.db2.gz ODCYFPOMQAWLDF-OAHLLOKOSA-N 1 3 356.511 0.896 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606702601 492127067 /nfs/dbraw/zinc/12/70/67/492127067.db2.gz ARWKOAAWHAZJGL-MRXNPFEDSA-N 1 3 367.538 0.912 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)[C@@H](C)C1 ZINC000607245694 492142051 /nfs/dbraw/zinc/14/20/51/492142051.db2.gz YTEAFQBCGNRGBN-DLBZAZTESA-N 1 3 370.538 0.879 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)[C@@H](C)C1 ZINC000607245694 492142053 /nfs/dbraw/zinc/14/20/53/492142053.db2.gz YTEAFQBCGNRGBN-DLBZAZTESA-N 1 3 370.538 0.879 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000618307003 492222101 /nfs/dbraw/zinc/22/21/01/492222101.db2.gz SCOPCNXRIPEMQO-UHFFFAOYSA-N 1 3 365.478 0.114 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCSC)C(N)=O)CC2)CC1 ZINC000600262650 492254958 /nfs/dbraw/zinc/25/49/58/492254958.db2.gz HLSMLGNXOCBTDZ-INIZCTEOSA-N 1 3 370.563 0.906 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NCCN3CCN(C)CC3)CC2)CC1 ZINC000654422032 492301126 /nfs/dbraw/zinc/30/11/26/492301126.db2.gz LDVORNPTBPIXSY-UHFFFAOYSA-N 1 3 365.566 0.546 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1=O ZINC000633943451 492310176 /nfs/dbraw/zinc/31/01/76/492310176.db2.gz NEKPGOZSZIYPAX-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654693602 492341358 /nfs/dbraw/zinc/34/13/58/492341358.db2.gz HTPCALTXYOHDLD-MRXNPFEDSA-N 1 3 364.494 0.117 20 0 FCADHO [NH3+]C1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000642344751 492353760 /nfs/dbraw/zinc/35/37/60/492353760.db2.gz CBOSLWPIIBUCCD-UHFFFAOYSA-N 1 3 368.547 0.804 20 0 FCADHO O=C(N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771762 492367986 /nfs/dbraw/zinc/36/79/86/492367986.db2.gz IBVHQTLRKYISSQ-FTRWYGJKSA-N 1 3 372.517 0.915 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000642686018 492373347 /nfs/dbraw/zinc/37/33/47/492373347.db2.gz BUIDVDYOXPDGHU-WMZOPIPTSA-N 1 3 374.485 0.454 20 0 FCADHO CC[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000642725987 492380515 /nfs/dbraw/zinc/38/05/15/492380515.db2.gz WDFRWBDAWPOGKA-MAUKXSAKSA-N 1 3 372.513 0.788 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000642726135 492380652 /nfs/dbraw/zinc/38/06/52/492380652.db2.gz OAJGKOQTHRQDEA-KRWDZBQOSA-N 1 3 358.486 0.460 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000642725939 492380884 /nfs/dbraw/zinc/38/08/84/492380884.db2.gz DVVZOYOSPAWHCM-QGZVFWFLSA-N 1 3 358.486 0.460 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654945766 492383118 /nfs/dbraw/zinc/38/31/18/492383118.db2.gz DRDVNGVPEHBARI-JKSUJKDBSA-N 1 3 362.478 0.516 20 0 FCADHO CC[C@H]1CN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937833 492385761 /nfs/dbraw/zinc/38/57/61/492385761.db2.gz CSUOZRICIRSFHW-WFASDCNBSA-N 1 3 354.476 0.722 20 0 FCADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000647977443 492390321 /nfs/dbraw/zinc/39/03/21/492390321.db2.gz BJWBRCJGYCHMTN-QZTJIDSGSA-N 1 3 362.518 0.779 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642787235 492392050 /nfs/dbraw/zinc/39/20/50/492392050.db2.gz YNOJHJYCPJBMAW-AEFFLSMTSA-N 1 3 371.485 0.625 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000642902139 492398979 /nfs/dbraw/zinc/39/89/79/492398979.db2.gz LCFKLKGPOQSBTC-ROUUACIJSA-N 1 3 358.486 0.835 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)o1 ZINC000642906264 492400535 /nfs/dbraw/zinc/40/05/35/492400535.db2.gz CRVRUOJPYLBPOK-HNNXBMFYSA-N 1 3 350.463 0.737 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000642922023 492404767 /nfs/dbraw/zinc/40/47/67/492404767.db2.gz FGYKXMIUSAGGEO-WMZOPIPTSA-N 1 3 358.486 0.835 20 0 FCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)C1 ZINC000642921474 492404912 /nfs/dbraw/zinc/40/49/12/492404912.db2.gz VMETVEWVCFQXRU-MSOLQXFVSA-N 1 3 373.501 0.041 20 0 FCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)C1 ZINC000642921474 492404916 /nfs/dbraw/zinc/40/49/16/492404916.db2.gz VMETVEWVCFQXRU-MSOLQXFVSA-N 1 3 373.501 0.041 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643007697 492413444 /nfs/dbraw/zinc/41/34/44/492413444.db2.gz XSLLWAZJXNNZGS-FGTMMUONSA-N 1 3 358.486 0.963 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643012292 492413759 /nfs/dbraw/zinc/41/37/59/492413759.db2.gz WXQDPNGHCXAVLM-QGZVFWFLSA-N 1 3 366.506 0.206 20 0 FCADHO Cc1coc(CC(=O)NC[C@@H](C)[NH+](C)C)c1C(=O)NC[C@H](C)N(C)C ZINC000635255279 492423642 /nfs/dbraw/zinc/42/36/42/492423642.db2.gz PIHDRXPENVAZPY-KGLIPLIRSA-N 1 3 352.479 0.877 20 0 FCADHO Cc1coc(CC(=O)NC[C@@H](C)N(C)C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000635255279 492423644 /nfs/dbraw/zinc/42/36/44/492423644.db2.gz PIHDRXPENVAZPY-KGLIPLIRSA-N 1 3 352.479 0.877 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028217 492443474 /nfs/dbraw/zinc/44/34/74/492443474.db2.gz NYFZYBPBHYVCOI-KSSFIOAISA-N 1 3 364.515 0.978 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000655596003 492461789 /nfs/dbraw/zinc/46/17/89/492461789.db2.gz WVRAJFMLXCDPNB-INIZCTEOSA-N 1 3 353.511 0.762 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528235 492463887 /nfs/dbraw/zinc/46/38/87/492463887.db2.gz PMLAGRUEALWXEO-WMZOPIPTSA-N 1 3 369.473 0.968 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528235 492463891 /nfs/dbraw/zinc/46/38/91/492463891.db2.gz PMLAGRUEALWXEO-WMZOPIPTSA-N 1 3 369.473 0.968 20 0 FCADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643453488 492466834 /nfs/dbraw/zinc/46/68/34/492466834.db2.gz HCQVIMGKBOTXMA-IXDOHACOSA-N 1 3 358.552 0.464 20 0 FCADHO O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCN(c2ccncc2)CC1 ZINC000643478788 492475105 /nfs/dbraw/zinc/47/51/05/492475105.db2.gz GGPAWSPUHAPYTB-UHFFFAOYSA-N 1 3 357.458 0.332 20 0 FCADHO CN1CCC(C[NH2+]C2CCN([C@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000655777700 492479306 /nfs/dbraw/zinc/47/93/06/492479306.db2.gz WEKNJRVIGBPJHU-IBGZPJMESA-N 1 3 366.550 0.626 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000643499820 492482743 /nfs/dbraw/zinc/48/27/43/492482743.db2.gz SLLKTAFJYXSRIN-INIZCTEOSA-N 1 3 364.465 0.913 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000643499821 492483022 /nfs/dbraw/zinc/48/30/22/492483022.db2.gz SLLKTAFJYXSRIN-MRXNPFEDSA-N 1 3 364.465 0.913 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000643531718 492490532 /nfs/dbraw/zinc/49/05/32/492490532.db2.gz ARWBCGPVYHTOTA-BPQIPLTHSA-N 1 3 358.486 0.915 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000643531818 492491498 /nfs/dbraw/zinc/49/14/98/492491498.db2.gz NUZHLSKKONDHKA-SFHVURJKSA-N 1 3 358.486 0.917 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643531849 492492118 /nfs/dbraw/zinc/49/21/18/492492118.db2.gz PRYRZVSUDGSPAK-GHTZIAJQSA-N 1 3 370.497 0.931 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CCO1 ZINC000643560505 492498936 /nfs/dbraw/zinc/49/89/36/492498936.db2.gz SQMMDZDCWXHNIM-UKRRQHHQSA-N 1 3 368.503 0.213 20 0 FCADHO CCCN(C(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000643592579 492502448 /nfs/dbraw/zinc/50/24/48/492502448.db2.gz SISFEFYEWHXXAJ-UHFFFAOYSA-N 1 3 359.474 0.721 20 0 FCADHO Cc1cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000649339434 492538623 /nfs/dbraw/zinc/53/86/23/492538623.db2.gz YXMOHOMDOBEOJI-OAHLLOKOSA-N 1 3 362.478 0.655 20 0 FCADHO CN1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)(N2CCOCC2)CC1 ZINC000636023593 492541227 /nfs/dbraw/zinc/54/12/27/492541227.db2.gz OSLACDZUZLRMSI-UHFFFAOYSA-N 1 3 364.534 0.775 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000649347334 492542820 /nfs/dbraw/zinc/54/28/20/492542820.db2.gz QWZQVIZALSPIJT-HUUCEWRRSA-N 1 3 360.458 0.601 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656295174 492573504 /nfs/dbraw/zinc/57/35/04/492573504.db2.gz GBERCXWQDGYKKM-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656295174 492573507 /nfs/dbraw/zinc/57/35/07/492573507.db2.gz GBERCXWQDGYKKM-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656294486 492573684 /nfs/dbraw/zinc/57/36/84/492573684.db2.gz AZMGMEIJWUQEGF-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656294486 492573686 /nfs/dbraw/zinc/57/36/86/492573686.db2.gz AZMGMEIJWUQEGF-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000656300259 492577831 /nfs/dbraw/zinc/57/78/31/492577831.db2.gz MZYRDHDUGZXHCX-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CCNS(=O)(=O)c1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629581285 492656327 /nfs/dbraw/zinc/65/63/27/492656327.db2.gz UWORMYSRKWIMHO-HZPDHXFCSA-N 1 3 355.504 0.790 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@]3(O)CCCOC3)CC2)CC1 ZINC000650798855 492669130 /nfs/dbraw/zinc/66/91/30/492669130.db2.gz LIVBXHAGUAMUAX-IBGZPJMESA-N 1 3 368.522 0.776 20 0 FCADHO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCN1CC[C@H](O)C1 ZINC000629913911 492703615 /nfs/dbraw/zinc/70/36/15/492703615.db2.gz PPMYOXWRXSNVHD-IBGZPJMESA-N 1 3 360.502 0.772 20 0 FCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000630825445 492777304 /nfs/dbraw/zinc/77/73/04/492777304.db2.gz HBEXZHLZNMIBIA-DTTOXWODSA-N 1 3 360.502 0.718 20 0 FCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000630825445 492777311 /nfs/dbraw/zinc/77/73/11/492777311.db2.gz HBEXZHLZNMIBIA-DTTOXWODSA-N 1 3 360.502 0.718 20 0 FCADHO CCN1CCN(CCCC[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000644562711 492785546 /nfs/dbraw/zinc/78/55/46/492785546.db2.gz LXPNLJPAYRHACD-CEXWTWQISA-N 1 3 356.555 0.464 20 0 FCADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000657874430 492807291 /nfs/dbraw/zinc/80/72/91/492807291.db2.gz RSVKXJPJUTXVTF-KRWDZBQOSA-N 1 3 371.485 0.675 20 0 FCADHO C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)CN1CCN(C)CC1 ZINC000652158561 492889193 /nfs/dbraw/zinc/88/91/93/492889193.db2.gz FPOQEKOUDJEESW-AWEZNQCLSA-N 1 3 351.470 0.967 20 0 FCADHO NCc1cn([C@@H]2CCCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC000631944121 492894328 /nfs/dbraw/zinc/89/43/28/492894328.db2.gz OWYXVXIWFWSFNE-OAHLLOKOSA-N 1 3 356.496 0.189 20 0 FCADHO O=C(CN1CC[NH2+]CC1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000638125462 492910792 /nfs/dbraw/zinc/91/07/92/492910792.db2.gz XZZDGYNSEDEBMJ-UHFFFAOYSA-N 1 3 364.465 0.690 20 0 FCADHO C[C@@H](CNC(=O)[C@H](N)[C@H](C)OCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000638137396 492914953 /nfs/dbraw/zinc/91/49/53/492914953.db2.gz JVMONMHDSFLRNI-JENIJYKNSA-N 1 3 362.518 0.919 20 0 FCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000638137087 492915663 /nfs/dbraw/zinc/91/56/63/492915663.db2.gz RDXRGXVUJHHVKI-UYAOXDASSA-N 1 3 360.502 0.817 20 0 FCADHO CCN1CCN(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638361975 492940955 /nfs/dbraw/zinc/94/09/55/492940955.db2.gz WOGGWBUWXLCIQL-UHFFFAOYSA-N 1 3 354.520 0.841 20 0 FCADHO NS(=O)(=O)c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000638748044 492974770 /nfs/dbraw/zinc/97/47/70/492974770.db2.gz GSCCGVFNIZROTF-IRXDYDNUSA-N 1 3 353.488 0.801 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684085 492989694 /nfs/dbraw/zinc/98/96/94/492989694.db2.gz FJJOXYNXPZJXKF-ZOBUZTSGSA-N 1 3 366.506 0.332 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652684083 492989864 /nfs/dbraw/zinc/98/98/64/492989864.db2.gz FJJOXYNXPZJXKF-YQQAZPJKSA-N 1 3 366.506 0.332 20 0 FCADHO O=C(Nc1cc(N2CCNCC2)ccn1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638985500 492990933 /nfs/dbraw/zinc/99/09/33/492990933.db2.gz INUKHGDMEHXOMU-MRXNPFEDSA-N 1 3 355.446 0.865 20 0 FCADHO CO[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCOCC1 ZINC000639262611 493003162 /nfs/dbraw/zinc/00/31/62/493003162.db2.gz ZQXHZZSVPCAVRX-SFHVURJKSA-N 1 3 355.523 0.814 20 0 FCADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000639261044 493003323 /nfs/dbraw/zinc/00/33/23/493003323.db2.gz KFOHHNUXNZYITL-SJORKVTESA-N 1 3 352.523 0.820 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652728832 493006942 /nfs/dbraw/zinc/00/69/42/493006942.db2.gz CNMFAEVLPBYYHN-HZMVEIRTSA-N 1 3 366.506 0.284 20 0 FCADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116773 493072627 /nfs/dbraw/zinc/07/26/27/493072627.db2.gz SJEMELYHINMSSY-PXNSSMCTSA-N 1 3 359.470 0.496 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000627011957 493079887 /nfs/dbraw/zinc/07/98/87/493079887.db2.gz NJINSZONBYLMIR-KRWDZBQOSA-N 1 3 350.463 0.370 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)nc1 ZINC000653167739 493081070 /nfs/dbraw/zinc/08/10/70/493081070.db2.gz BNHKNWVXCCAGPU-LPHOPBHVSA-N 1 3 359.474 0.028 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000627019895 493081506 /nfs/dbraw/zinc/08/15/06/493081506.db2.gz UKEONGVMLGGRGA-GOSISDBHSA-N 1 3 364.490 0.894 20 0 FCADHO CCN1CCN(CCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653260797 493087126 /nfs/dbraw/zinc/08/71/26/493087126.db2.gz LGPRJRXKBVZYCK-KSZLIROESA-N 1 3 352.523 0.901 20 0 FCADHO C[C@@H]1CN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCN(C2CCC2)C1 ZINC000627233324 493113539 /nfs/dbraw/zinc/11/35/39/493113539.db2.gz DVBIJUBAHKRXNT-WMLDXEAASA-N 1 3 361.494 0.828 20 0 FCADHO O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000658978217 493119039 /nfs/dbraw/zinc/11/90/39/493119039.db2.gz IULBXCRRCFHXEH-GOSISDBHSA-N 1 3 371.485 0.817 20 0 FCADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000633108624 493130193 /nfs/dbraw/zinc/13/01/93/493130193.db2.gz ZBVQEXWAACPHFW-XLAORIBOSA-N 1 3 354.454 0.292 20 0 FCADHO CCCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CCN(C)C1 ZINC000646980798 493139695 /nfs/dbraw/zinc/13/96/95/493139695.db2.gz XZPRAZIYYXPFHT-KRWDZBQOSA-N 1 3 367.538 0.071 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCN1C ZINC000627305007 493143200 /nfs/dbraw/zinc/14/32/00/493143200.db2.gz LJDYWHOHZBYVRZ-FDYHWXHSSA-N 1 3 364.412 0.571 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N1CCC(C)CC1 ZINC000627351610 493170779 /nfs/dbraw/zinc/17/07/79/493170779.db2.gz XZJIUSMIHPPFKR-INIZCTEOSA-N 1 3 356.511 0.293 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641149355 493173244 /nfs/dbraw/zinc/17/32/44/493173244.db2.gz FPPBQQRRUCGSCY-GOSISDBHSA-N 1 3 371.485 0.738 20 0 FCADHO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641167204 493174337 /nfs/dbraw/zinc/17/43/37/493174337.db2.gz FMOQBHATZAXNAJ-KRWDZBQOSA-N 1 3 363.510 0.062 20 0 FCADHO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000641167204 493174343 /nfs/dbraw/zinc/17/43/43/493174343.db2.gz FMOQBHATZAXNAJ-KRWDZBQOSA-N 1 3 363.510 0.062 20 0 FCADHO O=C(NCCCN1CC[NH2+]CC1)NCC1CCN(Cc2ccncc2)CC1 ZINC000659506812 493201980 /nfs/dbraw/zinc/20/19/80/493201980.db2.gz WPXVVDVVOBMGML-UHFFFAOYSA-N 1 3 374.533 0.888 20 0 FCADHO COCC1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659539318 493209708 /nfs/dbraw/zinc/20/97/08/493209708.db2.gz KHUHXYCRJQPPJU-MRXNPFEDSA-N 1 3 354.495 0.555 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000659567997 493213641 /nfs/dbraw/zinc/21/36/41/493213641.db2.gz TWMBDSOTDDAYGM-MRXNPFEDSA-N 1 3 368.522 0.545 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000659567996 493214139 /nfs/dbraw/zinc/21/41/39/493214139.db2.gz TWMBDSOTDDAYGM-INIZCTEOSA-N 1 3 368.522 0.545 20 0 FCADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@H](CN)C1 ZINC000659581168 493216211 /nfs/dbraw/zinc/21/62/11/493216211.db2.gz JEKHKHWEAMGMTI-CKEIUWERSA-N 1 3 367.444 0.695 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000672695789 493234716 /nfs/dbraw/zinc/23/47/16/493234716.db2.gz HWZKCADPQCKZQN-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000672695789 493234720 /nfs/dbraw/zinc/23/47/20/493234720.db2.gz HWZKCADPQCKZQN-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCCC1 ZINC000659677963 493247547 /nfs/dbraw/zinc/24/75/47/493247547.db2.gz UXEUKHPIENDEIN-KRWDZBQOSA-N 1 3 374.485 0.257 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H](CN)C1 ZINC000659706201 493264451 /nfs/dbraw/zinc/26/44/51/493264451.db2.gz GPAWWBIEUVJMIS-QAPCUYQASA-N 1 3 360.502 0.993 20 0 FCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659711871 493267894 /nfs/dbraw/zinc/26/78/94/493267894.db2.gz CZDCHRNPFCQFLH-INIZCTEOSA-N 1 3 373.501 0.526 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718267 493270577 /nfs/dbraw/zinc/27/05/77/493270577.db2.gz NLBROTMNGLROQZ-SJORKVTESA-N 1 3 366.506 0.380 20 0 FCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659730796 493276826 /nfs/dbraw/zinc/27/68/26/493276826.db2.gz VHVJAWJYECBXGF-FQEVSTJZSA-N 1 3 373.501 0.607 20 0 FCADHO [NH3+]CC1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659730321 493277097 /nfs/dbraw/zinc/27/70/97/493277097.db2.gz SHOMFFCQRCNIIH-UHFFFAOYSA-N 1 3 373.501 0.607 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812647 493303396 /nfs/dbraw/zinc/30/33/96/493303396.db2.gz SIYYEHATPXBHSD-GJZGRUSLSA-N 1 3 362.540 0.189 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC000667812647 493303397 /nfs/dbraw/zinc/30/33/97/493303397.db2.gz SIYYEHATPXBHSD-GJZGRUSLSA-N 1 3 362.540 0.189 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCSC1 ZINC000673982735 493379377 /nfs/dbraw/zinc/37/93/77/493379377.db2.gz NKFKNXDOTXCHEP-SJLPKXTDSA-N 1 3 369.579 0.845 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCSC1 ZINC000673982735 493379378 /nfs/dbraw/zinc/37/93/78/493379378.db2.gz NKFKNXDOTXCHEP-SJLPKXTDSA-N 1 3 369.579 0.845 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000668893142 493430329 /nfs/dbraw/zinc/43/03/29/493430329.db2.gz MXUWFYXJAVRRCG-WMLDXEAASA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000661662975 493456306 /nfs/dbraw/zinc/45/63/06/493456306.db2.gz JFXBBXAHCYZTOT-QFBILLFUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000661662973 493456477 /nfs/dbraw/zinc/45/64/77/493456477.db2.gz JFXBBXAHCYZTOT-LPHOPBHVSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N1CCO[C@H](CN2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264079 493502008 /nfs/dbraw/zinc/50/20/08/493502008.db2.gz PSKJPYQBYFEGRJ-QZTJIDSGSA-N 1 3 352.523 0.234 20 0 FCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291428 493503855 /nfs/dbraw/zinc/50/38/55/493503855.db2.gz RZEYRBZDBJODAE-WMLDXEAASA-N 1 3 350.507 0.810 20 0 FCADHO Cn1c2ncn(CCN3CCC([C@H]4CCC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000662291371 493503954 /nfs/dbraw/zinc/50/39/54/493503954.db2.gz FYMULHHFZQHHRU-HNNXBMFYSA-N 1 3 374.489 0.145 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000676001470 493517997 /nfs/dbraw/zinc/51/79/97/493517997.db2.gz KIBVWBZSQAWTOH-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](NC1(CNC(=O)c2cn(CC[NH3+])nn2)CCOCC1)c1ccccc1 ZINC000662461101 493518155 /nfs/dbraw/zinc/51/81/55/493518155.db2.gz ZTABLBOTBLDMFR-HNNXBMFYSA-N 1 3 372.473 0.867 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCNC2 ZINC000662561208 493526152 /nfs/dbraw/zinc/52/61/52/493526152.db2.gz QCMWCKZJLSJQEL-ZDUSSCGKSA-N 1 3 362.421 0.960 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662714793 493534199 /nfs/dbraw/zinc/53/41/99/493534199.db2.gz BNERZIRVIUFLEM-OAHLLOKOSA-N 1 3 364.412 0.541 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000662949082 493559432 /nfs/dbraw/zinc/55/94/32/493559432.db2.gz RGARRJRJASQGNG-LJQANCHMSA-N 1 3 372.513 0.959 20 0 FCADHO N[C@H](CC(F)F)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016682 493566643 /nfs/dbraw/zinc/56/66/43/493566643.db2.gz DTJRFNBWKLDTRK-NWDGAFQWSA-N 1 3 356.421 0.508 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000670804305 493598135 /nfs/dbraw/zinc/59/81/35/493598135.db2.gz PJOZYOUSTJZIRF-KRWDZBQOSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000670804306 493598161 /nfs/dbraw/zinc/59/81/61/493598161.db2.gz PJOZYOUSTJZIRF-QGZVFWFLSA-N 1 3 350.507 0.824 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000670983746 493620153 /nfs/dbraw/zinc/62/01/53/493620153.db2.gz JJZIWPNCCCHHNQ-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000670983746 493620156 /nfs/dbraw/zinc/62/01/56/493620156.db2.gz JJZIWPNCCCHHNQ-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663937713 493626977 /nfs/dbraw/zinc/62/69/77/493626977.db2.gz PLRDBGPPCMKJLR-UHFFFAOYSA-N 1 3 371.526 0.149 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000671071679 493629301 /nfs/dbraw/zinc/62/93/01/493629301.db2.gz GRTBDMFWIZNPIE-QGZVFWFLSA-N 1 3 356.536 0.529 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071929 493629912 /nfs/dbraw/zinc/62/99/12/493629912.db2.gz WGMBEOVHZJVMMI-MAUKXSAKSA-N 1 3 368.547 0.627 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000671134436 493642097 /nfs/dbraw/zinc/64/20/97/493642097.db2.gz KSNXOEIPPZDFFF-UHFFFAOYSA-N 1 3 368.522 0.548 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000671134436 493642099 /nfs/dbraw/zinc/64/20/99/493642099.db2.gz KSNXOEIPPZDFFF-UHFFFAOYSA-N 1 3 368.522 0.548 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000671170695 493645073 /nfs/dbraw/zinc/64/50/73/493645073.db2.gz DXHYJMYBGBCZPU-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C[C@@H]1O ZINC000664234285 493646342 /nfs/dbraw/zinc/64/63/42/493646342.db2.gz QFMIVUIPVAHPSK-IRXDYDNUSA-N 1 3 367.538 0.253 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000671374252 493661677 /nfs/dbraw/zinc/66/16/77/493661677.db2.gz GVWQZNTUWVACKP-MRXNPFEDSA-N 1 3 354.495 0.202 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664475731 493662296 /nfs/dbraw/zinc/66/22/96/493662296.db2.gz TZFAKYIPXVYQFC-QAETUUGQSA-N 1 3 354.495 0.071 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000672011016 493724465 /nfs/dbraw/zinc/72/44/65/493724465.db2.gz BXLOKNNKFPMFPJ-WBVHZDCISA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000672099034 493735553 /nfs/dbraw/zinc/73/55/53/493735553.db2.gz PEXRMCDOLSFUJH-IRXDYDNUSA-N 1 3 367.538 0.071 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000672099034 493735555 /nfs/dbraw/zinc/73/55/55/493735555.db2.gz PEXRMCDOLSFUJH-IRXDYDNUSA-N 1 3 367.538 0.071 20 0 FCADHO CN(C(=O)NC[C@H]1CN(C)CCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681215625 493751108 /nfs/dbraw/zinc/75/11/08/493751108.db2.gz KAAGXVFPARMJFY-ROUUACIJSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@H]1CN(C)CCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681215625 493751111 /nfs/dbraw/zinc/75/11/11/493751111.db2.gz KAAGXVFPARMJFY-ROUUACIJSA-N 1 3 366.554 0.042 20 0 FCADHO CN(C(=O)NC[C@H]1CN(C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681215625 493751113 /nfs/dbraw/zinc/75/11/13/493751113.db2.gz KAAGXVFPARMJFY-ROUUACIJSA-N 1 3 366.554 0.042 20 0 FCADHO CCn1cc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)nn1 ZINC000666269908 493765630 /nfs/dbraw/zinc/76/56/30/493765630.db2.gz AYRKYQOCZHKORV-INIZCTEOSA-N 1 3 351.499 0.856 20 0 FCADHO CCn1cc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)nn1 ZINC000666269908 493765631 /nfs/dbraw/zinc/76/56/31/493765631.db2.gz AYRKYQOCZHKORV-INIZCTEOSA-N 1 3 351.499 0.856 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000410884073 528890383 /nfs/dbraw/zinc/89/03/83/528890383.db2.gz JFIVNCRYAJCXCP-KRWDZBQOSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000411027615 529074998 /nfs/dbraw/zinc/07/49/98/529074998.db2.gz OVASTLAAWKZIOJ-IRXDYDNUSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419688443 535071186 /nfs/dbraw/zinc/07/11/86/535071186.db2.gz AQAJMHNFOVLMLV-YESZJQIVSA-N 1 3 350.507 0.681 20 0 FCADHO CC(CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453010360 535174352 /nfs/dbraw/zinc/17/43/52/535174352.db2.gz PLPXMGFRENAOGC-WNRNVDISSA-N 1 3 362.518 0.728 20 0 FCADHO CC(CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453010360 535174357 /nfs/dbraw/zinc/17/43/57/535174357.db2.gz PLPXMGFRENAOGC-WNRNVDISSA-N 1 3 362.518 0.728 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419282715 535218035 /nfs/dbraw/zinc/21/80/35/535218035.db2.gz IOSHZBXLEJKFIM-DLBZAZTESA-N 1 3 368.522 0.579 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419284162 535218877 /nfs/dbraw/zinc/21/88/77/535218877.db2.gz KJVIMXBMVILQNO-IAGOWNOFSA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706649 535555027 /nfs/dbraw/zinc/55/50/27/535555027.db2.gz OAGCWESUNYXMEX-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846087 535596993 /nfs/dbraw/zinc/59/69/93/535596993.db2.gz RALJRHKPVJASSG-ROUUACIJSA-N 1 3 373.501 0.763 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419896494 535597392 /nfs/dbraw/zinc/59/73/92/535597392.db2.gz XSKWGIPFJRAQOW-IRXDYDNUSA-N 1 3 359.474 0.373 20 0 FCADHO CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760193 535597508 /nfs/dbraw/zinc/59/75/08/535597508.db2.gz GONKCNDPZAWQNR-YJBOKZPZSA-N 1 3 355.479 0.475 20 0 FCADHO CCOC(=O)[C@@]1(COC)CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760193 535597511 /nfs/dbraw/zinc/59/75/11/535597511.db2.gz GONKCNDPZAWQNR-YJBOKZPZSA-N 1 3 355.479 0.475 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000419338466 535668813 /nfs/dbraw/zinc/66/88/13/535668813.db2.gz CAIAVRUVKNDURJ-SFHVURJKSA-N 1 3 360.502 0.924 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000419397205 535669631 /nfs/dbraw/zinc/66/96/31/535669631.db2.gz UKBJGVGVCVTLQQ-ROUUACIJSA-N 1 3 360.502 0.924 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c2)CC1 ZINC000415352149 535749653 /nfs/dbraw/zinc/74/96/53/535749653.db2.gz JVUKPZWZHQPCTP-HNNXBMFYSA-N 1 3 359.474 0.574 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419979358 535857588 /nfs/dbraw/zinc/85/75/88/535857588.db2.gz PHFDLHUYSAKCBR-HOTGVXAUSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419886817 535864452 /nfs/dbraw/zinc/86/44/52/535864452.db2.gz CVPMYKUQBUZQCY-MRXNPFEDSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000419639538 536027787 /nfs/dbraw/zinc/02/77/87/536027787.db2.gz JQTIRJJULXGQOT-RCCFBDPRSA-N 1 3 358.486 0.950 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000419221460 536368852 /nfs/dbraw/zinc/36/88/52/536368852.db2.gz AQJSBOHGSHRUNE-CGTJXYLNSA-N 1 3 358.486 0.834 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)C1 ZINC000415326844 536369245 /nfs/dbraw/zinc/36/92/45/536369245.db2.gz WXJLMKLINURIOB-CYBMUJFWSA-N 1 3 352.410 0.525 20 0 FCADHO COCCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000419718552 536550817 /nfs/dbraw/zinc/55/08/17/536550817.db2.gz DSQMOJOZQASBRH-UHFFFAOYSA-N 1 3 362.474 0.249 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419749457 536746064 /nfs/dbraw/zinc/74/60/64/536746064.db2.gz GVWAHVQKDRQJBR-CQSZACIVSA-N 1 3 354.495 0.332 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000419751260 536746792 /nfs/dbraw/zinc/74/67/92/536746792.db2.gz KDPCWNRHXWEQJU-UHFFFAOYSA-N 1 3 356.511 0.435 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(Cl)c1 ZINC000549911504 547073488 /nfs/dbraw/zinc/07/34/88/547073488.db2.gz SWCGJTQXZOZQDD-UHFFFAOYSA-N 1 3 354.882 0.908 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000550839286 547111283 /nfs/dbraw/zinc/11/12/83/547111283.db2.gz XFRWVAXCZVULBA-QAPCUYQASA-N 1 3 368.547 0.627 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000551111841 547125942 /nfs/dbraw/zinc/12/59/42/547125942.db2.gz PCHJWMKCEVCKNK-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000475723658 547334492 /nfs/dbraw/zinc/33/44/92/547334492.db2.gz PWSHROFIEFHUGT-CADBVGFASA-N 1 3 357.539 0.889 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000950003678 674418172 /nfs/dbraw/zinc/41/81/72/674418172.db2.gz JJHIHHFPHFFGHC-OAGGEKHMSA-N 1 3 350.507 0.632 20 0 FCADHO C[NH+](C)CC1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000825859072 607539469 /nfs/dbraw/zinc/53/94/69/607539469.db2.gz CKDARSVYCZYLOC-MOKVOYLWSA-N 1 3 359.482 0.815 20 0 FCADHO C[NH+](C)CC1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000825859072 607539470 /nfs/dbraw/zinc/53/94/70/607539470.db2.gz CKDARSVYCZYLOC-MOKVOYLWSA-N 1 3 359.482 0.815 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000955345724 674511484 /nfs/dbraw/zinc/51/14/84/674511484.db2.gz DNMOZOYKDOPNQS-GDBMZVCRSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000955345724 674511487 /nfs/dbraw/zinc/51/14/87/674511487.db2.gz DNMOZOYKDOPNQS-GDBMZVCRSA-N 1 3 350.507 0.728 20 0 FCADHO COCCN1CC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686625 663188356 /nfs/dbraw/zinc/18/83/56/663188356.db2.gz ICMGESJSETZHGZ-QGTPRVQTSA-N 1 3 353.507 0.816 20 0 FCADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCN2CCOC2=O)CC1 ZINC000076324888 663212952 /nfs/dbraw/zinc/21/29/52/663212952.db2.gz DLBASWBKDKGIHU-UHFFFAOYSA-N 1 3 354.495 0.855 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891481818 663409005 /nfs/dbraw/zinc/40/90/05/663409005.db2.gz HKKQWOUBTBVXAE-OAHLLOKOSA-N 1 3 353.511 0.890 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@H]21 ZINC000933847657 663444626 /nfs/dbraw/zinc/44/46/26/663444626.db2.gz RVYPCMJEUHHEBI-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@H]21 ZINC000933847657 663444628 /nfs/dbraw/zinc/44/46/28/663444628.db2.gz RVYPCMJEUHHEBI-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892090093 663474909 /nfs/dbraw/zinc/47/49/09/663474909.db2.gz CMRFLJFHRMSDJT-LSDHHAIUSA-N 1 3 351.495 0.500 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000892648550 664059138 /nfs/dbraw/zinc/05/91/38/664059138.db2.gz FGIOPKNXHMUATN-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000892648550 664059141 /nfs/dbraw/zinc/05/91/41/664059141.db2.gz FGIOPKNXHMUATN-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCCN(CCCO)C1 ZINC000892758055 664137542 /nfs/dbraw/zinc/13/75/42/664137542.db2.gz GWTNHTDGQWAKTE-HZPDHXFCSA-N 1 3 354.495 0.291 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892944933 664177203 /nfs/dbraw/zinc/17/72/03/664177203.db2.gz XCUKPMQXQFSIOQ-BRWVUGGUSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892944933 664177204 /nfs/dbraw/zinc/17/72/04/664177204.db2.gz XCUKPMQXQFSIOQ-BRWVUGGUSA-N 1 3 354.495 0.338 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCSC1 ZINC000893418506 664356757 /nfs/dbraw/zinc/35/67/57/664356757.db2.gz YHVYPXXVJRLNMH-INMHGKMJSA-N 1 3 356.536 0.664 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)N(C)C ZINC000976609506 664392273 /nfs/dbraw/zinc/39/22/73/664392273.db2.gz NNALZEKTLLRSRF-SJRVDFGRSA-N 1 3 350.507 0.630 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)N(C)C ZINC000976609506 664392276 /nfs/dbraw/zinc/39/22/76/664392276.db2.gz NNALZEKTLLRSRF-SJRVDFGRSA-N 1 3 350.507 0.630 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000985442814 665167638 /nfs/dbraw/zinc/16/76/38/665167638.db2.gz SKXQFOBQYPLAPD-HLLBOEOZSA-N 1 3 371.547 0.684 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000985442814 665167639 /nfs/dbraw/zinc/16/76/39/665167639.db2.gz SKXQFOBQYPLAPD-HLLBOEOZSA-N 1 3 371.547 0.684 20 0 FCADHO CN(C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@H+](C)C2CCC2)c1 ZINC000907400337 666128874 /nfs/dbraw/zinc/12/88/74/666128874.db2.gz MLIWNOFVGROXEP-UHFFFAOYSA-N 1 3 368.503 0.949 20 0 FCADHO CN(C)CCNS(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000907400337 666128878 /nfs/dbraw/zinc/12/88/78/666128878.db2.gz MLIWNOFVGROXEP-UHFFFAOYSA-N 1 3 368.503 0.949 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000911529219 666362204 /nfs/dbraw/zinc/36/22/04/666362204.db2.gz AIQSXZJWODDLEN-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942816198 666751329 /nfs/dbraw/zinc/75/13/29/666751329.db2.gz PWKRGJROMBSCAN-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942816198 666751332 /nfs/dbraw/zinc/75/13/32/666751332.db2.gz PWKRGJROMBSCAN-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCO[C@H]3CCOC3)CC2)CC1 ZINC000915501056 666873056 /nfs/dbraw/zinc/87/30/56/666873056.db2.gz YIPVBTREKUCSRD-KRWDZBQOSA-N 1 3 354.495 0.650 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000734274695 666958519 /nfs/dbraw/zinc/95/85/19/666958519.db2.gz LIYDVCQENMZMIR-DOTOQJQBSA-N 1 3 354.495 0.602 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H](O)COc1ccc(F)cc1 ZINC000923346255 667827116 /nfs/dbraw/zinc/82/71/16/667827116.db2.gz QOXQYDFIJSRMJT-HZPDHXFCSA-N 1 3 353.438 0.885 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000761676983 667893454 /nfs/dbraw/zinc/89/34/54/667893454.db2.gz GBQYCYPVOWFGHU-JKSUJKDBSA-N 1 3 354.495 0.384 20 0 FCADHO CC[NH+](CC)C[C@H]1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000743387042 668047454 /nfs/dbraw/zinc/04/74/54/668047454.db2.gz CXCKOPRAWRVIQD-OAHLLOKOSA-N 1 3 351.495 0.624 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCCCC1 ZINC000788252024 668821437 /nfs/dbraw/zinc/82/14/37/668821437.db2.gz NLAYBJIKJHCHEQ-YOEHRIQHSA-N 1 3 356.536 0.531 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000788484825 668829961 /nfs/dbraw/zinc/82/99/61/668829961.db2.gz PFFLAHDSFCCDBM-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N1CCCCC1 ZINC000793701383 668942980 /nfs/dbraw/zinc/94/29/80/668942980.db2.gz PYGVQOJPNMOIEB-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N1CCCCC1 ZINC000793701383 668942986 /nfs/dbraw/zinc/94/29/86/668942986.db2.gz PYGVQOJPNMOIEB-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000793704857 668943559 /nfs/dbraw/zinc/94/35/59/668943559.db2.gz CVNYIOTXASQJAZ-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO CN1CCN(CC[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1(C)C ZINC000819287916 668994243 /nfs/dbraw/zinc/99/42/43/668994243.db2.gz SENZKGVEOHUYHB-HNNXBMFYSA-N 1 3 358.527 0.878 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804048877 669353860 /nfs/dbraw/zinc/35/38/60/669353860.db2.gz ABZLISOHJSJUEA-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C(=O)CCN3CCOCC3)CC2)CC1 ZINC000817658581 670023520 /nfs/dbraw/zinc/02/35/20/670023520.db2.gz FFMXJQHCERBQSV-UHFFFAOYSA-N 1 3 352.523 0.727 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C(=O)CCN3CCOCC3)CC2)CC1 ZINC000817658581 670023523 /nfs/dbraw/zinc/02/35/23/670023523.db2.gz FFMXJQHCERBQSV-UHFFFAOYSA-N 1 3 352.523 0.727 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000817946213 670050109 /nfs/dbraw/zinc/05/01/09/670050109.db2.gz UQOMUVNHQBUHBV-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000842014884 670625963 /nfs/dbraw/zinc/62/59/63/670625963.db2.gz GCPPFDWSUAWABL-DOTOQJQBSA-N 1 3 350.507 0.968 20 0 FCADHO Cc1ccc(NC(=O)CN(C)C2CCC([NH3+])CC2)cc1S(N)(=O)=O ZINC000843355237 670804792 /nfs/dbraw/zinc/80/47/92/670804792.db2.gz NYKYBVHCMIWLMS-UHFFFAOYSA-N 1 3 354.476 0.783 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000968015872 675178624 /nfs/dbraw/zinc/17/86/24/675178624.db2.gz SANICWUUGUTARF-BFYDXBDKSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000968015872 675178626 /nfs/dbraw/zinc/17/86/26/675178626.db2.gz SANICWUUGUTARF-BFYDXBDKSA-N 1 3 350.507 0.728 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000849051251 671316400 /nfs/dbraw/zinc/31/64/00/671316400.db2.gz CSLIROYUTHFPTP-OLZOCXBDSA-N 1 3 351.417 0.848 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC000903522151 675938086 /nfs/dbraw/zinc/93/80/86/675938086.db2.gz NISSLVIIUXABLP-APWZRJJASA-N 1 3 350.507 0.919 20 0 FCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000863754744 672150136 /nfs/dbraw/zinc/15/01/36/672150136.db2.gz VOOOAVBLWVSVJM-LBPRGKRZSA-N 1 3 356.417 0.661 20 0 FCADHO CC[C@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159512 676051719 /nfs/dbraw/zinc/05/17/19/676051719.db2.gz BHAXKMCUNZMOFP-FVQBIDKESA-N 1 3 350.507 0.951 20 0 FCADHO CC[C@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159512 676051720 /nfs/dbraw/zinc/05/17/20/676051720.db2.gz BHAXKMCUNZMOFP-FVQBIDKESA-N 1 3 350.507 0.951 20 0 FCADHO Cc1cc(Cl)ncc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130548485 673361506 /nfs/dbraw/zinc/36/15/06/673361506.db2.gz BJKPCANVALVWSD-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO CN(C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560392 673462372 /nfs/dbraw/zinc/46/23/72/673462372.db2.gz WULPOIOTZSLCFG-CABCVRRESA-N 1 3 352.479 0.086 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000884576174 673463152 /nfs/dbraw/zinc/46/31/52/673463152.db2.gz BKBHGEZIMFDPQI-APWZRJJASA-N 1 3 350.507 0.827 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884664669 673470631 /nfs/dbraw/zinc/47/06/31/673470631.db2.gz RPRDFGWIGAEPMW-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000884787721 673482211 /nfs/dbraw/zinc/48/22/11/673482211.db2.gz ZWVNPODGPBQYRC-ZBFHGGJFSA-N 1 3 352.479 0.086 20 0 FCADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000884787718 673482372 /nfs/dbraw/zinc/48/23/72/673482372.db2.gz ZWVNPODGPBQYRC-GDBMZVCRSA-N 1 3 352.479 0.086 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885192947 673507709 /nfs/dbraw/zinc/50/77/09/673507709.db2.gz MDLSYQPOTPKZHD-UHFFFAOYSA-N 1 3 354.495 0.333 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCC(C)CC3)CC2)CC[N@@H+]1C ZINC001011207978 675376535 /nfs/dbraw/zinc/37/65/35/675376535.db2.gz FEMHYEVWJINQGB-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCC(C)CC3)CC2)CC[N@H+]1C ZINC001011207978 675376540 /nfs/dbraw/zinc/37/65/40/675376540.db2.gz FEMHYEVWJINQGB-IAGOWNOFSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC001011211559 675377250 /nfs/dbraw/zinc/37/72/50/675377250.db2.gz AOWSWWTZAFLPOB-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC[N@H+]1C ZINC001011211559 675377253 /nfs/dbraw/zinc/37/72/53/675377253.db2.gz AOWSWWTZAFLPOB-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001772503057 1167729374 /nfs/dbraw/zinc/72/93/74/1167729374.db2.gz PMUFSADORQZEOM-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000897517528 1192288247 /nfs/dbraw/zinc/28/82/47/1192288247.db2.gz AXBHMGVYSUUWNI-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000897517528 1192288260 /nfs/dbraw/zinc/28/82/60/1192288260.db2.gz AXBHMGVYSUUWNI-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C1CCC1 ZINC001021941819 1170329882 /nfs/dbraw/zinc/32/98/82/1170329882.db2.gz TYLLSWWNMJAMIW-DOTOQJQBSA-N 1 3 360.502 0.626 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218759 1170766094 /nfs/dbraw/zinc/76/60/94/1170766094.db2.gz DXCVSDDNCGIDPD-YESZJQIVSA-N 1 3 360.502 0.626 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3nccs3)C2)C1 ZINC001691268595 1171003073 /nfs/dbraw/zinc/00/30/73/1171003073.db2.gz VKBQJEHIKLWAKY-BFHYXJOUSA-N 1 3 365.503 0.908 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3nccs3)C2)C1 ZINC001691268595 1171003081 /nfs/dbraw/zinc/00/30/81/1171003081.db2.gz VKBQJEHIKLWAKY-BFHYXJOUSA-N 1 3 365.503 0.908 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNCc1nccn1C ZINC001691327733 1171108752 /nfs/dbraw/zinc/10/87/52/1171108752.db2.gz COTDDZDSZFKBIB-HZPDHXFCSA-N 1 3 363.506 0.715 20 0 FCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1OCC ZINC001691338183 1171145390 /nfs/dbraw/zinc/14/53/90/1171145390.db2.gz YBYJICRKZHCIAB-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC000972434471 1172137034 /nfs/dbraw/zinc/13/70/34/1172137034.db2.gz SYIPHRHUKZBHRZ-XLNGHYISSA-N 1 3 359.474 0.742 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC000972434471 1172137039 /nfs/dbraw/zinc/13/70/39/1172137039.db2.gz SYIPHRHUKZBHRZ-XLNGHYISSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000897669443 1192840575 /nfs/dbraw/zinc/84/05/75/1192840575.db2.gz UQTBWLGQSOYNQG-RDJZCZTQSA-N 1 3 371.485 0.719 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N1CCCCC1 ZINC000842015409 1192853178 /nfs/dbraw/zinc/85/31/78/1192853178.db2.gz KZPDMNDFNMMKHU-BPQIPLTHSA-N 1 3 358.486 0.930 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389543 1180210888 /nfs/dbraw/zinc/21/08/88/1180210888.db2.gz NMMBHIBYUVVWKZ-JKSUJKDBSA-N 1 3 365.522 0.713 20 0 FCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001691481367 1180532319 /nfs/dbraw/zinc/53/23/19/1180532319.db2.gz FMOUQBGLVRNYHB-MSOLQXFVSA-N 1 3 360.502 0.858 20 0 FCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001691481367 1180532355 /nfs/dbraw/zinc/53/23/55/1180532355.db2.gz FMOUQBGLVRNYHB-MSOLQXFVSA-N 1 3 360.502 0.858 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1)[NH+](C)C ZINC001024999612 1181844189 /nfs/dbraw/zinc/84/41/89/1181844189.db2.gz WXEZIIGFXPFPNM-BZUAXINKSA-N 1 3 368.522 0.135 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729620 1182401694 /nfs/dbraw/zinc/40/16/94/1182401694.db2.gz XCEIHNZUKHLGIE-HUUCEWRRSA-N 1 3 364.494 0.734 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765438 1182484981 /nfs/dbraw/zinc/48/49/81/1182484981.db2.gz CALVRSMGYSFVDK-DLBZAZTESA-N 1 3 367.538 0.470 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001104938851 1183012315 /nfs/dbraw/zinc/01/23/15/1183012315.db2.gz FLEGDRCYZSRTSI-HZPDHXFCSA-N 1 3 366.506 0.551 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001211661700 1183783208 /nfs/dbraw/zinc/78/32/08/1183783208.db2.gz HEXSYFOUJLXYFY-RCCFBDPRSA-N 1 3 358.486 0.801 20 0 FCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC000975425307 1183866707 /nfs/dbraw/zinc/86/67/07/1183866707.db2.gz SLVWLOUTCROEBP-DJIMGWMZSA-N 1 3 359.474 0.886 20 0 FCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC000975425307 1183866708 /nfs/dbraw/zinc/86/67/08/1183866708.db2.gz SLVWLOUTCROEBP-DJIMGWMZSA-N 1 3 359.474 0.886 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732405 1187519134 /nfs/dbraw/zinc/51/91/34/1187519134.db2.gz FTTDKZHUOJRINM-GBESFXJTSA-N 1 3 363.502 0.918 20 0 FCADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373031 1187695395 /nfs/dbraw/zinc/69/53/95/1187695395.db2.gz OXLDQJNEIPNCFG-QYZOEREBSA-N 1 3 359.470 0.515 20 0 FCADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373031 1187695401 /nfs/dbraw/zinc/69/54/01/1187695401.db2.gz OXLDQJNEIPNCFG-QYZOEREBSA-N 1 3 359.470 0.515 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)CC1 ZINC001270236578 1188057590 /nfs/dbraw/zinc/05/75/90/1188057590.db2.gz BXQAXVGHMYVUTF-IBGZPJMESA-N 1 3 366.506 0.110 20 0 FCADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000382765335 1188311594 /nfs/dbraw/zinc/31/15/94/1188311594.db2.gz RVHYXPJUQCYWCG-SJORKVTESA-N 1 3 367.515 0.729 20 0 FCADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000382765335 1188311600 /nfs/dbraw/zinc/31/16/00/1188311600.db2.gz RVHYXPJUQCYWCG-SJORKVTESA-N 1 3 367.515 0.729 20 0 FCADHO CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C1CC1 ZINC001112536225 1188354586 /nfs/dbraw/zinc/35/45/86/1188354586.db2.gz XWVCROIGQMXURV-LIRRHRJNSA-N 1 3 359.474 0.791 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000550413850 1188367134 /nfs/dbraw/zinc/36/71/34/1188367134.db2.gz DQNGVLXCMBLLAO-CRAIPNDOSA-N 1 3 360.502 0.874 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000550413850 1188367138 /nfs/dbraw/zinc/36/71/38/1188367138.db2.gz DQNGVLXCMBLLAO-CRAIPNDOSA-N 1 3 360.502 0.874 20 0 FCADHO CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)CC[NH+]1CCCC1)C2 ZINC001271060992 1189545497 /nfs/dbraw/zinc/54/54/97/1189545497.db2.gz DMXKGCFZKMRPEM-LJQANCHMSA-N 1 3 366.506 0.111 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1CCN1CCNC1=O ZINC001087699870 1189778472 /nfs/dbraw/zinc/77/84/72/1189778472.db2.gz PLYTVZSASJIUAG-LUKYLMHMSA-N 1 3 365.522 0.711 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1CCN1CCNC1=O ZINC001087699870 1189778486 /nfs/dbraw/zinc/77/84/86/1189778486.db2.gz PLYTVZSASJIUAG-LUKYLMHMSA-N 1 3 365.522 0.711 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000896748651 1190121403 /nfs/dbraw/zinc/12/14/03/1190121403.db2.gz KPDQJDYWUZNGGC-RCCFBDPRSA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896748651 1190121406 /nfs/dbraw/zinc/12/14/06/1190121406.db2.gz KPDQJDYWUZNGGC-RCCFBDPRSA-N 1 3 366.506 0.480 20 0 FCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010461 1190209152 /nfs/dbraw/zinc/20/91/52/1190209152.db2.gz VZBKLRZWEBTJKH-IXDOHACOSA-N 1 3 362.518 0.907 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088095350 1190561433 /nfs/dbraw/zinc/56/14/33/1190561433.db2.gz JHOSAKIMNOTOJX-ZIFCJYIRSA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088095350 1190561446 /nfs/dbraw/zinc/56/14/46/1190561446.db2.gz JHOSAKIMNOTOJX-ZIFCJYIRSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130468 1190631623 /nfs/dbraw/zinc/63/16/23/1190631623.db2.gz ORLDALRROURVCF-JQHSSLGASA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001075876555 1190795993 /nfs/dbraw/zinc/79/59/93/1190795993.db2.gz RAZSBXUOKYMBOP-OKZBNKHCSA-N 1 3 360.506 0.789 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001075876555 1190795995 /nfs/dbraw/zinc/79/59/95/1190795995.db2.gz RAZSBXUOKYMBOP-OKZBNKHCSA-N 1 3 360.506 0.789 20 0 FCADHO O=C(CCN1CC[NH2+]CC1)c1ccc2nc(O[C@@H]3CNC[C@@H]3F)oc2c1 ZINC001218000366 1224135406 /nfs/dbraw/zinc/13/54/06/1224135406.db2.gz WNXPTJMRONZSIH-SUMWQHHRSA-N 1 3 362.405 0.995 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000550780617 1193787315 /nfs/dbraw/zinc/78/73/15/1193787315.db2.gz IMSXQCPJLSLUFM-IAGOWNOFSA-N 1 3 367.538 0.119 20 0 FCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1)N(C)C ZINC001691601602 1193791205 /nfs/dbraw/zinc/79/12/05/1193791205.db2.gz HSTVXIMKNVJGMJ-BFHYXJOUSA-N 1 3 351.451 0.828 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000551151919 1193835990 /nfs/dbraw/zinc/83/59/90/1193835990.db2.gz LDXHGLMECWJUGL-JKSUJKDBSA-N 1 3 369.554 0.079 20 0 FCADHO C[NH+](C)CCCC(=O)N1CCO[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001218550606 1224171626 /nfs/dbraw/zinc/17/16/26/1224171626.db2.gz GNTLEQILLBBXLL-YESZJQIVSA-N 1 3 366.506 0.156 20 0 FCADHO CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658759 1193861493 /nfs/dbraw/zinc/86/14/93/1193861493.db2.gz JOBWOVDSKCUISD-OHDICMOHSA-N 1 3 368.522 0.040 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@@H]2O)n1 ZINC001083470409 1193867464 /nfs/dbraw/zinc/86/74/64/1193867464.db2.gz QEXWADFGUOWPDV-SJORKVTESA-N 1 3 363.506 0.656 20 0 FCADHO CCOC(=O)c1oc2nccnc2c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218567389 1224174005 /nfs/dbraw/zinc/17/40/05/1224174005.db2.gz FACXMHOXVSWDOI-BMLIUANNSA-N 1 3 359.386 0.537 20 0 FCADHO CC(C)[C@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105669269 1193967266 /nfs/dbraw/zinc/96/72/66/1193967266.db2.gz QOCKYGFJOGOBLT-RGCFKVTRSA-N 1 3 368.522 0.170 20 0 FCADHO CCOC(=O)c1cnn2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cc12 ZINC001218614424 1224182048 /nfs/dbraw/zinc/18/20/48/1224182048.db2.gz JJFHKDKFZBVOTB-KZULUSFZSA-N 1 3 357.414 0.649 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C[NH+](C)C ZINC000899157770 1194116777 /nfs/dbraw/zinc/11/67/77/1194116777.db2.gz MCIVHMBBNCTZQT-ZIAGYGMSSA-N 1 3 358.450 0.073 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C[NH+](C)C ZINC000899157770 1194116781 /nfs/dbraw/zinc/11/67/81/1194116781.db2.gz MCIVHMBBNCTZQT-ZIAGYGMSSA-N 1 3 358.450 0.073 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[NH2+]1 ZINC000842267277 1194143929 /nfs/dbraw/zinc/14/39/29/1194143929.db2.gz WFNJSWSRPCUFIM-FUHWJXTLSA-N 1 3 360.502 0.876 20 0 FCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696365 1224197972 /nfs/dbraw/zinc/19/79/72/1224197972.db2.gz TZLUADGAUOTGEU-HNNXBMFYSA-N 1 3 362.478 0.238 20 0 FCADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218710860 1224201616 /nfs/dbraw/zinc/20/16/16/1224201616.db2.gz MYEALQPNJSFMDC-VXGBXAGGSA-N 1 3 357.418 0.580 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218728008 1224206406 /nfs/dbraw/zinc/20/64/06/1224206406.db2.gz QRUSRYXVZBMTPO-CFVMTHIKSA-N 1 3 363.462 0.639 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001691626839 1194322726 /nfs/dbraw/zinc/32/27/26/1194322726.db2.gz PVRPKLUYPPJQFZ-YQQAZPJKSA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(CCN4CCNC4=O)C[C@H]32)CC1 ZINC001076323688 1194396801 /nfs/dbraw/zinc/39/68/01/1194396801.db2.gz DOJSMUUQOQNXDZ-DLBZAZTESA-N 1 3 363.506 0.276 20 0 FCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001691630278 1194584278 /nfs/dbraw/zinc/58/42/78/1194584278.db2.gz LNOHVDHJLFDPTG-ZNMIVQPWSA-N 1 3 352.479 0.350 20 0 FCADHO O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002951 1195137870 /nfs/dbraw/zinc/13/78/70/1195137870.db2.gz MZIFCTTWAJPJJI-GUDVDZBRSA-N 1 3 365.518 0.696 20 0 FCADHO C[NH+](C)C[C@@H](O)CNC[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 ZINC000905347242 1195581669 /nfs/dbraw/zinc/58/16/69/1195581669.db2.gz XKDTVJMBWKRKTO-HKUYNNGSSA-N 1 3 365.474 0.662 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219025213 1224299261 /nfs/dbraw/zinc/29/92/61/1224299261.db2.gz ATYBGWLIRBISBW-CQSZACIVSA-N 1 3 369.429 0.045 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1=O ZINC000908240047 1195735315 /nfs/dbraw/zinc/73/53/15/1195735315.db2.gz VXPCLRQZHHNLSL-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000911327062 1195934152 /nfs/dbraw/zinc/93/41/52/1195934152.db2.gz ANNKAUOOQFMHNT-KRWDZBQOSA-N 1 3 373.501 0.607 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911336449 1195936347 /nfs/dbraw/zinc/93/63/47/1195936347.db2.gz IUVQVMILQCPNRC-KBAYOESNSA-N 1 3 372.469 0.097 20 0 FCADHO N=c1c2cc(N)ccc2on1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219138811 1224364390 /nfs/dbraw/zinc/36/43/90/1224364390.db2.gz YMNUWNGQWHTRJW-KBPBESRZSA-N 1 3 374.445 0.383 20 0 FCADHO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C)no1 ZINC001105946051 1196749666 /nfs/dbraw/zinc/74/96/66/1196749666.db2.gz JSNLQJKHZPUWPC-BPLDGKMQSA-N 1 3 363.462 0.700 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280125 1224412369 /nfs/dbraw/zinc/41/23/69/1224412369.db2.gz ADAUINZPSICWLS-HNNXBMFYSA-N 1 3 360.437 0.796 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106249573 1197782449 /nfs/dbraw/zinc/78/24/49/1197782449.db2.gz LBVSVQMVZHSQGK-BJZITVGISA-N 1 3 364.534 0.879 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567226 1224513051 /nfs/dbraw/zinc/51/30/51/1224513051.db2.gz BRDDOCJPGUNOML-SFHVURJKSA-N 1 3 364.490 0.470 20 0 FCADHO CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C)OCC2 ZINC001169096908 1199045857 /nfs/dbraw/zinc/04/58/57/1199045857.db2.gz ZRFLDYCMQBLTLW-NXOAAHMSSA-N 1 3 361.490 0.800 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+]1CCCCC1 ZINC000766880144 1199101135 /nfs/dbraw/zinc/10/11/35/1199101135.db2.gz JXMNGBMJKHBQGI-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000767945904 1200043784 /nfs/dbraw/zinc/04/37/84/1200043784.db2.gz UQROYNSTPZXHSP-ZJPYXAASSA-N 1 3 366.506 0.527 20 0 FCADHO N[C@H](C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743968 1224588952 /nfs/dbraw/zinc/58/89/52/1224588952.db2.gz QAXPFKBOZUNFJR-HOTGVXAUSA-N 1 3 367.490 0.664 20 0 FCADHO Cn1cnnc1CNC[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563649 1200793497 /nfs/dbraw/zinc/79/34/97/1200793497.db2.gz GPPYYMDUOVDJRQ-YJBOKZPZSA-N 1 3 364.494 0.112 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787109266 1200863078 /nfs/dbraw/zinc/86/30/78/1200863078.db2.gz RDFKFQBRYRXYJV-KRWDZBQOSA-N 1 3 366.506 0.299 20 0 FCADHO N[C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1Cc2ccccc2C1 ZINC001219837137 1224647666 /nfs/dbraw/zinc/64/76/66/1224647666.db2.gz HWEVGCLQLMJHMO-HEFCMCLBSA-N 1 3 359.470 0.240 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865614 1224660714 /nfs/dbraw/zinc/66/07/14/1224660714.db2.gz RTABNXABLOZRBZ-XLAORIBOSA-N 1 3 374.485 0.208 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129899650 1201432098 /nfs/dbraw/zinc/43/20/98/1201432098.db2.gz DROQGPIILCPBRN-IKGGRYGDSA-N 1 3 366.510 0.632 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011971 1201471178 /nfs/dbraw/zinc/47/11/78/1201471178.db2.gz HEDSOAUEMLDENI-XHSDSOJGSA-N 1 3 364.494 0.386 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012081 1201471234 /nfs/dbraw/zinc/47/12/34/1201471234.db2.gz NPSAIZDJXRAMNX-OAGGEKHMSA-N 1 3 364.494 0.386 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCCCCOC)[C@@H](n2ccnn2)C1 ZINC001130047443 1201486361 /nfs/dbraw/zinc/48/63/61/1201486361.db2.gz BERDOODHBZTFON-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130695419 1202757274 /nfs/dbraw/zinc/75/72/74/1202757274.db2.gz RBNZZUVJOAKWRK-SOLBZPMBSA-N 1 3 365.522 0.807 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130734432 1202768686 /nfs/dbraw/zinc/76/86/86/1202768686.db2.gz PGHDXEGGGHIEEP-JQHSSLGASA-N 1 3 363.506 0.825 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001130736352 1202768969 /nfs/dbraw/zinc/76/89/69/1202768969.db2.gz CJMIAXKATSTESD-SOLBZPMBSA-N 1 3 365.522 0.805 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001130944105 1202827161 /nfs/dbraw/zinc/82/71/61/1202827161.db2.gz VHABMSZJEQSPFS-ZACQAIPSSA-N 1 3 363.506 0.823 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010520 1202844045 /nfs/dbraw/zinc/84/40/45/1202844045.db2.gz OXEWLEVEJJFTMX-IAGOWNOFSA-N 1 3 363.506 0.825 20 0 FCADHO COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010113 1202844128 /nfs/dbraw/zinc/84/41/28/1202844128.db2.gz ARMZXIYGCRYZRO-ARFHVFGLSA-N 1 3 363.506 0.823 20 0 FCADHO Cc1ncc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)cn1 ZINC001131061779 1202854162 /nfs/dbraw/zinc/85/41/62/1202854162.db2.gz KUSYDZHBZPOXMK-IAGOWNOFSA-N 1 3 371.489 0.554 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131115723 1202865020 /nfs/dbraw/zinc/86/50/20/1202865020.db2.gz WYYLDXJZFKMWOP-BRWVUGGUSA-N 1 3 365.522 0.807 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604717 1202918590 /nfs/dbraw/zinc/91/85/90/1202918590.db2.gz DDOWWXOIEIKSND-APWZRJJASA-N 1 3 366.506 0.204 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H]2CCNC2=O)CC1 ZINC001131596931 1202919196 /nfs/dbraw/zinc/91/91/96/1202919196.db2.gz BKOGNWANHARWFX-RYRKJORJSA-N 1 3 366.506 0.202 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1 ZINC001131597210 1202919512 /nfs/dbraw/zinc/91/95/12/1202919512.db2.gz QSGKMTIRGNBYPN-KYJSFNMBSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813327211 1202993268 /nfs/dbraw/zinc/99/32/68/1202993268.db2.gz YZQHLEKYIUILJN-TZMCWYRMSA-N 1 3 373.457 0.454 20 0 FCADHO Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001086746514 1203070431 /nfs/dbraw/zinc/07/04/31/1203070431.db2.gz BDGQILDNFRJASO-GXTWGEPZSA-N 1 3 354.418 0.546 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[C@@H]1[NH3+] ZINC000817926554 1203126609 /nfs/dbraw/zinc/12/66/09/1203126609.db2.gz MXXWPBWAHPOBIA-WMZOPIPTSA-N 1 3 360.502 0.815 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158872 1224791898 /nfs/dbraw/zinc/79/18/98/1224791898.db2.gz JGMZYSGCUSDIKK-VCBZYWHSSA-N 1 3 374.489 0.352 20 0 FCADHO C[C@H](CCCC(C)(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220242839 1224813687 /nfs/dbraw/zinc/81/36/87/1224813687.db2.gz IUMVEXKWKANIEG-PMPSAXMXSA-N 1 3 370.538 0.880 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCOCCc2ccccc2)C[C@@H]1O ZINC001220273085 1224818074 /nfs/dbraw/zinc/81/80/74/1224818074.db2.gz BEQCDCQEPYURJI-MOPGFXCFSA-N 1 3 363.502 0.749 20 0 FCADHO O=C(N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353877 1224839866 /nfs/dbraw/zinc/83/98/66/1224839866.db2.gz LNRHWEOPPIEEPJ-LTIDMASMSA-N 1 3 361.442 0.285 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742961 1204840108 /nfs/dbraw/zinc/84/01/08/1204840108.db2.gz GYRDCFISAXHZRQ-SYNHAJSKSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742961 1204840109 /nfs/dbraw/zinc/84/01/09/1204840109.db2.gz GYRDCFISAXHZRQ-SYNHAJSKSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049343 1205140125 /nfs/dbraw/zinc/14/01/25/1205140125.db2.gz AFBYTJBFRVYEGM-LIVBEALHSA-N 1 3 371.485 0.886 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049343 1205140127 /nfs/dbraw/zinc/14/01/27/1205140127.db2.gz AFBYTJBFRVYEGM-LIVBEALHSA-N 1 3 371.485 0.886 20 0 FCADHO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@H](N)CCC[NH3+])OC(C)(C)O1 ZINC001220466278 1224881715 /nfs/dbraw/zinc/88/17/15/1224881715.db2.gz ABTYATBUWQGGLV-HZSPNIEDSA-N 1 3 373.494 0.811 20 0 FCADHO C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773703 1205353783 /nfs/dbraw/zinc/35/37/83/1205353783.db2.gz QUFGTRBWXTWEAP-BZUAXINKSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968155 1205967855 /nfs/dbraw/zinc/96/78/55/1205967855.db2.gz NRRKUPKJOQMXFI-RVKKMQEKSA-N 1 3 360.502 0.962 20 0 FCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CNCc1cn(C)nn1 ZINC001094137811 1206191312 /nfs/dbraw/zinc/19/13/12/1206191312.db2.gz XTZJSXSLGZSARQ-HUUCEWRRSA-N 1 3 364.494 0.110 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169136 1206258420 /nfs/dbraw/zinc/25/84/20/1206258420.db2.gz DLSTWLXFEKGDEO-ROUUACIJSA-N 1 3 372.513 0.964 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172169136 1206258421 /nfs/dbraw/zinc/25/84/21/1206258421.db2.gz DLSTWLXFEKGDEO-ROUUACIJSA-N 1 3 372.513 0.964 20 0 FCADHO COCCC[NH+]1CCC(N[C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)CC1 ZINC001172245345 1206260436 /nfs/dbraw/zinc/26/04/36/1206260436.db2.gz RRQVKENFGIMVJV-VSZNYVQBSA-N 1 3 372.506 0.747 20 0 FCADHO COc1cc(C)nc(N(C(=O)C2(O)CCN(C)CC2)C2CC[NH2+]CC2)n1 ZINC001182032928 1206419020 /nfs/dbraw/zinc/41/90/20/1206419020.db2.gz JQXGQNYUWNTFBD-UHFFFAOYSA-N 1 3 363.462 0.335 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccnc3)C2)CC[N@@H+]1C ZINC001182676635 1206441042 /nfs/dbraw/zinc/44/10/42/1206441042.db2.gz OZRDQGRNFRWBGC-DJIMGWMZSA-N 1 3 359.474 0.229 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCc3cccnc3)C2)CC[N@H+]1C ZINC001182676635 1206441044 /nfs/dbraw/zinc/44/10/44/1206441044.db2.gz OZRDQGRNFRWBGC-DJIMGWMZSA-N 1 3 359.474 0.229 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610023 1207466850 /nfs/dbraw/zinc/46/68/50/1207466850.db2.gz JVPZIKAJDVOXLH-KZIZELGASA-N 1 3 363.502 0.807 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610023 1207466852 /nfs/dbraw/zinc/46/68/52/1207466852.db2.gz JVPZIKAJDVOXLH-KZIZELGASA-N 1 3 363.502 0.807 20 0 FCADHO COCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609498 1207466870 /nfs/dbraw/zinc/46/68/70/1207466870.db2.gz FCASNYPNIQYFLC-VVJOJPPRSA-N 1 3 363.502 0.809 20 0 FCADHO COCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609498 1207466872 /nfs/dbraw/zinc/46/68/72/1207466872.db2.gz FCASNYPNIQYFLC-VVJOJPPRSA-N 1 3 363.502 0.809 20 0 FCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306480 1208071221 /nfs/dbraw/zinc/07/12/21/1208071221.db2.gz FWPHOILKWQDEKH-KZNAEPCWSA-N 1 3 371.522 0.465 20 0 FCADHO O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220736212 1225045353 /nfs/dbraw/zinc/04/53/53/1225045353.db2.gz DTMGFHMDVIPTKY-ZWKOTPCHSA-N 1 3 358.486 0.882 20 0 FCADHO O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220736212 1225045365 /nfs/dbraw/zinc/04/53/65/1225045365.db2.gz DTMGFHMDVIPTKY-ZWKOTPCHSA-N 1 3 358.486 0.882 20 0 FCADHO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)CN3CCOCC3)C2)cc1 ZINC001198688410 1208283502 /nfs/dbraw/zinc/28/35/02/1208283502.db2.gz FFWZAKBNXLRNPM-BHIYHBOVSA-N 1 3 361.486 0.625 20 0 FCADHO Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)CN3CCOCC3)C2)cc1 ZINC001198688410 1208283507 /nfs/dbraw/zinc/28/35/07/1208283507.db2.gz FFWZAKBNXLRNPM-BHIYHBOVSA-N 1 3 361.486 0.625 20 0 FCADHO CN1CCN(c2ccncc2C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001199360939 1208343318 /nfs/dbraw/zinc/34/33/18/1208343318.db2.gz YHDNCMGKORJNTM-WKILWMFISA-N 1 3 373.501 0.944 20 0 FCADHO Cc1cc(C)c(CN2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(C)c1 ZINC001220764640 1225060350 /nfs/dbraw/zinc/06/03/50/1225060350.db2.gz QYPMJUOLVPNLTO-MOPGFXCFSA-N 1 3 363.502 0.851 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001489206089 1208669620 /nfs/dbraw/zinc/66/96/20/1208669620.db2.gz KVDGVHFTXPEFHQ-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001489206089 1208669626 /nfs/dbraw/zinc/66/96/26/1208669626.db2.gz KVDGVHFTXPEFHQ-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207290 1208671743 /nfs/dbraw/zinc/67/17/43/1208671743.db2.gz UCLKNKCEHRJHJI-SQNIBIBYSA-N 1 3 363.506 0.366 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001489207290 1208671747 /nfs/dbraw/zinc/67/17/47/1208671747.db2.gz UCLKNKCEHRJHJI-SQNIBIBYSA-N 1 3 363.506 0.366 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1O ZINC001489382287 1208804774 /nfs/dbraw/zinc/80/47/74/1208804774.db2.gz ZCELBRIAPXUUED-HZPDHXFCSA-N 1 3 370.538 0.384 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1O ZINC001489382287 1208804777 /nfs/dbraw/zinc/80/47/77/1208804777.db2.gz ZCELBRIAPXUUED-HZPDHXFCSA-N 1 3 370.538 0.384 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851689628 1209514869 /nfs/dbraw/zinc/51/48/69/1209514869.db2.gz OICJDIOMOGXCOP-MSOLQXFVSA-N 1 3 371.485 0.230 20 0 FCADHO O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220924596 1225143237 /nfs/dbraw/zinc/14/32/37/1225143237.db2.gz YNYSYELUAFBGSG-KRWDZBQOSA-N 1 3 374.460 0.603 20 0 FCADHO O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220929525 1225146393 /nfs/dbraw/zinc/14/63/93/1225146393.db2.gz BJCPPQKRWFKHJZ-MRXNPFEDSA-N 1 3 358.490 0.683 20 0 FCADHO O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220929525 1225146398 /nfs/dbraw/zinc/14/63/98/1225146398.db2.gz BJCPPQKRWFKHJZ-MRXNPFEDSA-N 1 3 358.490 0.683 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861573572 1209871884 /nfs/dbraw/zinc/87/18/84/1209871884.db2.gz JLXKVNKQAXUCCE-KZNAEPCWSA-N 1 3 366.506 0.650 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2F)CC1 ZINC000868244104 1210046902 /nfs/dbraw/zinc/04/69/02/1210046902.db2.gz RMOHOTUMOBQVMM-UHFFFAOYSA-N 1 3 363.437 0.338 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000868287443 1210049544 /nfs/dbraw/zinc/04/95/44/1210049544.db2.gz YVYNDACMKGJCJA-CABCVRRESA-N 1 3 359.474 0.715 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000868310542 1210051803 /nfs/dbraw/zinc/05/18/03/1210051803.db2.gz VEXVILDJOUHTFO-UHFFFAOYSA-N 1 3 373.501 0.583 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CCC(C)([NH+]3CCCC3)CC1)C2=O ZINC000872643668 1210199032 /nfs/dbraw/zinc/19/90/32/1210199032.db2.gz ADSLVJLCYSNDDD-UHFFFAOYSA-N 1 3 363.506 0.910 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)cn1 ZINC000873101143 1210233509 /nfs/dbraw/zinc/23/35/09/1210233509.db2.gz AFHZOIFJANPLSK-INIZCTEOSA-N 1 3 370.457 0.214 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000888887438 1210594105 /nfs/dbraw/zinc/59/41/05/1210594105.db2.gz NXIFIGLLYXXQKV-HZPDHXFCSA-N 1 3 369.510 0.249 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000888887438 1210594109 /nfs/dbraw/zinc/59/41/09/1210594109.db2.gz NXIFIGLLYXXQKV-HZPDHXFCSA-N 1 3 369.510 0.249 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000888887436 1210594194 /nfs/dbraw/zinc/59/41/94/1210594194.db2.gz NXIFIGLLYXXQKV-CVEARBPZSA-N 1 3 369.510 0.249 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000888887436 1210594197 /nfs/dbraw/zinc/59/41/97/1210594197.db2.gz NXIFIGLLYXXQKV-CVEARBPZSA-N 1 3 369.510 0.249 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884234212 1210724916 /nfs/dbraw/zinc/72/49/16/1210724916.db2.gz MAERPXISGAEBMS-MRXNPFEDSA-N 1 3 360.506 0.247 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884509358 1210742101 /nfs/dbraw/zinc/74/21/01/1210742101.db2.gz DJUSILNHAVZFBY-IIAWOOMASA-N 1 3 359.474 0.671 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000884577384 1210755165 /nfs/dbraw/zinc/75/51/65/1210755165.db2.gz DOFIQAUOJBYGLC-CRAIPNDOSA-N 1 3 358.486 0.604 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884577324 1210755822 /nfs/dbraw/zinc/75/58/22/1210755822.db2.gz CJFNPLLLAOCSJD-MOPGFXCFSA-N 1 3 370.497 0.904 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000884623504 1210765072 /nfs/dbraw/zinc/76/50/72/1210765072.db2.gz FVNWWKPCRSIRII-HOCLYGCPSA-N 1 3 364.490 0.028 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000884640665 1210770665 /nfs/dbraw/zinc/77/06/65/1210770665.db2.gz LUXYERIKSKJFJT-QGZVFWFLSA-N 1 3 358.486 0.808 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000884640665 1210770674 /nfs/dbraw/zinc/77/06/74/1210770674.db2.gz LUXYERIKSKJFJT-QGZVFWFLSA-N 1 3 358.486 0.808 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000884669975 1210775411 /nfs/dbraw/zinc/77/54/11/1210775411.db2.gz LVEQPDDKNUUJJN-MRXNPFEDSA-N 1 3 367.538 0.106 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000884690846 1210781115 /nfs/dbraw/zinc/78/11/15/1210781115.db2.gz NNISDVGLZRGVDA-CRAIPNDOSA-N 1 3 367.453 0.935 20 0 FCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000884706550 1210785020 /nfs/dbraw/zinc/78/50/20/1210785020.db2.gz GYRUGSVPEUMQPR-LSDHHAIUSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706602 1210785089 /nfs/dbraw/zinc/78/50/89/1210785089.db2.gz IIFDZNWEJXRXJV-HOTGVXAUSA-N 1 3 368.522 0.940 20 0 FCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137883 1210811889 /nfs/dbraw/zinc/81/18/89/1210811889.db2.gz KPLQCHNUPMGYMJ-CABCVRRESA-N 1 3 366.506 0.250 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000885162336 1210814033 /nfs/dbraw/zinc/81/40/33/1210814033.db2.gz KZYXRKOWQFMLGA-ROUUACIJSA-N 1 3 356.470 0.514 20 0 FCADHO CCN(C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000887067933 1210845045 /nfs/dbraw/zinc/84/50/45/1210845045.db2.gz BYZAPWITFODNBW-QZTJIDSGSA-N 1 3 358.486 0.930 20 0 FCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000889771192 1210950362 /nfs/dbraw/zinc/95/03/62/1210950362.db2.gz XYMWPIPASYHIJD-SBHAEUEKSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000889771192 1210950374 /nfs/dbraw/zinc/95/03/74/1210950374.db2.gz XYMWPIPASYHIJD-SBHAEUEKSA-N 1 3 373.497 0.681 20 0 FCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C ZINC001221187627 1225259841 /nfs/dbraw/zinc/25/98/41/1225259841.db2.gz CFUBTGFYZRBEKH-KKUMJFAQSA-N 1 3 372.510 0.287 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143006 1211179448 /nfs/dbraw/zinc/17/94/48/1211179448.db2.gz QLKNPXQSKTYUNN-UYAOXDASSA-N 1 3 364.534 0.585 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2=O)CC1 ZINC001275143006 1211179451 /nfs/dbraw/zinc/17/94/51/1211179451.db2.gz QLKNPXQSKTYUNN-UYAOXDASSA-N 1 3 364.534 0.585 20 0 FCADHO Cc1nn(C)c(C)c1CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275162482 1211186345 /nfs/dbraw/zinc/18/63/45/1211186345.db2.gz VGQVMZLBDXAUCD-IBGZPJMESA-N 1 3 361.490 0.940 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CN(C)CCN3C)C2)C1 ZINC001275176158 1211189371 /nfs/dbraw/zinc/18/93/71/1211189371.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 1 3 365.566 0.498 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CN(C)CCN3C)C2)C1 ZINC001275176158 1211189373 /nfs/dbraw/zinc/18/93/73/1211189373.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 1 3 365.566 0.498 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CN(C)CCN3C)C2)C1 ZINC001275176154 1211189590 /nfs/dbraw/zinc/18/95/90/1211189590.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 1 3 365.566 0.498 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CN(C)CCN3C)C2)C1 ZINC001275176154 1211189592 /nfs/dbraw/zinc/18/95/92/1211189592.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 1 3 365.566 0.498 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(Cc1ccc(CO)cc1)C2 ZINC001275177331 1211190190 /nfs/dbraw/zinc/19/01/90/1211190190.db2.gz PBEQFZUUSIJUFE-FQEVSTJZSA-N 1 3 361.486 0.791 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3cccc4nonc43)C2)OCC1=O ZINC001275180240 1211192322 /nfs/dbraw/zinc/19/23/22/1211192322.db2.gz XZBPMCOWWKIDFN-SFHVURJKSA-N 1 3 359.430 0.588 20 0 FCADHO COc1cc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)ccn1 ZINC001275404807 1211232244 /nfs/dbraw/zinc/23/22/44/1211232244.db2.gz FNHBAZLIBNICQK-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO COc1cccc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001275959083 1211318239 /nfs/dbraw/zinc/31/82/39/1211318239.db2.gz PVTAKHAYKNWVTK-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2)c1 ZINC000545882336 1211425747 /nfs/dbraw/zinc/42/57/47/1211425747.db2.gz NLUAWNDRRRUWNZ-HXUWFJFHSA-N 1 3 360.502 0.690 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)c1 ZINC000545882336 1211425749 /nfs/dbraw/zinc/42/57/49/1211425749.db2.gz NLUAWNDRRRUWNZ-HXUWFJFHSA-N 1 3 360.502 0.690 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000924670730 1211476604 /nfs/dbraw/zinc/47/66/04/1211476604.db2.gz HZCJWGBFGMXBMM-NVXWUHKLSA-N 1 3 364.490 0.894 20 0 FCADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000924668922 1211476964 /nfs/dbraw/zinc/47/69/64/1211476964.db2.gz SEKGOFIQASIQBD-UONOGXRCSA-N 1 3 359.474 0.893 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000927881425 1211589290 /nfs/dbraw/zinc/58/92/90/1211589290.db2.gz BRERAUKWSOCIQO-MRXNPFEDSA-N 1 3 373.501 0.964 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221398765 1225306191 /nfs/dbraw/zinc/30/61/91/1225306191.db2.gz FGKHRIPGHIFJFF-DLBZAZTESA-N 1 3 366.469 0.360 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221399241 1225306227 /nfs/dbraw/zinc/30/62/27/1225306227.db2.gz JFKJUJSTDGGQEH-ZWKOTPCHSA-N 1 3 365.481 0.965 20 0 FCADHO C[NH+](C)CC1(O)CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000931486157 1211757391 /nfs/dbraw/zinc/75/73/91/1211757391.db2.gz MTXJXSJPNODTIA-UHFFFAOYSA-N 1 3 362.474 0.791 20 0 FCADHO COc1cccc(OC)c1OC[C@H](O)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931485909 1211757721 /nfs/dbraw/zinc/75/77/21/1211757721.db2.gz SGOZEJIESFRXTI-OAHLLOKOSA-N 1 3 368.474 0.832 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933849676 1211848555 /nfs/dbraw/zinc/84/85/55/1211848555.db2.gz WTTNTBSOLSIPFG-UHFFFAOYSA-N 1 3 368.522 0.140 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933849676 1211848558 /nfs/dbraw/zinc/84/85/58/1211848558.db2.gz WTTNTBSOLSIPFG-UHFFFAOYSA-N 1 3 368.522 0.140 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1ccncc1)C1CC1 ZINC000934222981 1211859232 /nfs/dbraw/zinc/85/92/32/1211859232.db2.gz JUWTWVMBWALMQU-QGZVFWFLSA-N 1 3 361.490 0.601 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2CCN2CCNC2=O)CC[N@@H+]1C ZINC000968864450 1212158016 /nfs/dbraw/zinc/15/80/16/1212158016.db2.gz WZYIADRJESLDIK-IXDOHACOSA-N 1 3 365.522 0.713 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2CCN2CCNC2=O)CC[N@H+]1C ZINC000968864450 1212158020 /nfs/dbraw/zinc/15/80/20/1212158020.db2.gz WZYIADRJESLDIK-IXDOHACOSA-N 1 3 365.522 0.713 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001111281115 1212232172 /nfs/dbraw/zinc/23/21/72/1212232172.db2.gz GUQJRJLZMASWPA-XDNAFOTISA-N 1 3 363.502 0.999 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221654400 1225419589 /nfs/dbraw/zinc/41/95/89/1225419589.db2.gz IVHISEDVGMBDDF-IXDOHACOSA-N 1 3 363.506 0.507 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221654400 1225419594 /nfs/dbraw/zinc/41/95/94/1225419594.db2.gz IVHISEDVGMBDDF-IXDOHACOSA-N 1 3 363.506 0.507 20 0 FCADHO CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21)N(C)C ZINC000960568559 1213823099 /nfs/dbraw/zinc/82/30/99/1213823099.db2.gz GCCIOXCXMASIGG-IXDOHACOSA-N 1 3 366.506 0.107 20 0 FCADHO CC[C@H](C(=O)N1CCO[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21)N(C)C ZINC000960568104 1213823358 /nfs/dbraw/zinc/82/33/58/1213823358.db2.gz BECDQRNFKJRLLA-YYIAUSFCSA-N 1 3 368.522 0.351 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@@H+]1C ZINC001014306750 1213936817 /nfs/dbraw/zinc/93/68/17/1213936817.db2.gz VKFTUQIJMKYFEO-JNNRSPCRSA-N 1 3 359.474 0.932 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(C(=O)Cc2c[nH]cn2)CC3)CC[N@H+]1C ZINC001014306750 1213936825 /nfs/dbraw/zinc/93/68/25/1213936825.db2.gz VKFTUQIJMKYFEO-JNNRSPCRSA-N 1 3 359.474 0.932 20 0 FCADHO C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862643 1225510392 /nfs/dbraw/zinc/51/03/92/1225510392.db2.gz HULDDWKJIWVVFA-LZLYRXPVSA-N 1 3 363.506 0.752 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1)N(C)C ZINC000961668490 1214263772 /nfs/dbraw/zinc/26/37/72/1214263772.db2.gz FUSVFJXUOCTWHW-RZFLPCETSA-N 1 3 364.534 0.974 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1)N(C)C ZINC000961668490 1214263778 /nfs/dbraw/zinc/26/37/78/1214263778.db2.gz FUSVFJXUOCTWHW-RZFLPCETSA-N 1 3 364.534 0.974 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871008 1225515959 /nfs/dbraw/zinc/51/59/59/1225515959.db2.gz RPGJZUINHQVJOY-CEXWTWQISA-N 1 3 361.486 0.902 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000964214108 1214916605 /nfs/dbraw/zinc/91/66/05/1214916605.db2.gz SVTCGHGPQPPMKP-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000964214108 1214916611 /nfs/dbraw/zinc/91/66/11/1214916611.db2.gz SVTCGHGPQPPMKP-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001000359623 1216041737 /nfs/dbraw/zinc/04/17/37/1216041737.db2.gz UHPSRKUZQPZHTC-MOPGFXCFSA-N 1 3 370.497 0.755 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001000359623 1216041742 /nfs/dbraw/zinc/04/17/42/1216041742.db2.gz UHPSRKUZQPZHTC-MOPGFXCFSA-N 1 3 370.497 0.755 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@@H+]1C ZINC001050050855 1216274555 /nfs/dbraw/zinc/27/45/55/1216274555.db2.gz IZNHLZXVMQROMD-WNRNVDISSA-N 1 3 360.506 0.931 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(CCn4cncn4)C[C@H]32)CC[N@H+]1C ZINC001050050855 1216274567 /nfs/dbraw/zinc/27/45/67/1216274567.db2.gz IZNHLZXVMQROMD-WNRNVDISSA-N 1 3 360.506 0.931 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050523840 1216331549 /nfs/dbraw/zinc/33/15/49/1216331549.db2.gz KDWAAFJFFPTGOL-BBWFWOEESA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@H]2CCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050523840 1216331555 /nfs/dbraw/zinc/33/15/55/1216331555.db2.gz KDWAAFJFFPTGOL-BBWFWOEESA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC001051624209 1216468507 /nfs/dbraw/zinc/46/85/07/1216468507.db2.gz NGFCOHCNSRANHQ-FGTMMUONSA-N 1 3 363.506 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3cn(C)nc3C)C2)CC[N@H+]1C ZINC001051624209 1216468513 /nfs/dbraw/zinc/46/85/13/1216468513.db2.gz NGFCOHCNSRANHQ-FGTMMUONSA-N 1 3 363.506 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC001051625092 1216470593 /nfs/dbraw/zinc/47/05/93/1216470593.db2.gz XKALZJFBDNXLJL-FGTMMUONSA-N 1 3 361.490 0.832 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCc3cnc(C)nc3)C2)CC[N@H+]1C ZINC001051625092 1216470602 /nfs/dbraw/zinc/47/06/02/1216470602.db2.gz XKALZJFBDNXLJL-FGTMMUONSA-N 1 3 361.490 0.832 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068901434 1216767089 /nfs/dbraw/zinc/76/70/89/1216767089.db2.gz IVBAYDBQULKBPR-OWCLPIDISA-N 1 3 366.506 0.153 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068901434 1216767092 /nfs/dbraw/zinc/76/70/92/1216767092.db2.gz IVBAYDBQULKBPR-OWCLPIDISA-N 1 3 366.506 0.153 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(CCN4CCNC4=O)C3)C2)CC[N@@H+]1C ZINC001041297510 1217271044 /nfs/dbraw/zinc/27/10/44/1217271044.db2.gz QFJKNTOCODBMHB-MDZRGWNJSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(CCN4CCNC4=O)C3)C2)CC[N@H+]1C ZINC001041297510 1217271052 /nfs/dbraw/zinc/27/10/52/1217271052.db2.gz QFJKNTOCODBMHB-MDZRGWNJSA-N 1 3 363.506 0.276 20 0 FCADHO CNC(=O)CN1CC[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC001276981863 1225784477 /nfs/dbraw/zinc/78/44/77/1225784477.db2.gz IKUZEJDUKABAAW-FXAWDEMLSA-N 1 3 358.486 0.612 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900497977 1217999315 /nfs/dbraw/zinc/99/93/15/1217999315.db2.gz QLRKJEGRMOTZSZ-MRXNPFEDSA-N 1 3 364.494 0.117 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900575430 1218007911 /nfs/dbraw/zinc/00/79/11/1218007911.db2.gz WVHQNBZYCLQNMN-UHFFFAOYSA-N 1 3 364.494 0.071 20 0 FCADHO C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800082 1218038674 /nfs/dbraw/zinc/03/86/74/1218038674.db2.gz BBRPYOCJVNGTAH-WBVHZDCISA-N 1 3 360.506 0.198 20 0 FCADHO C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800082 1218038679 /nfs/dbraw/zinc/03/86/79/1218038679.db2.gz BBRPYOCJVNGTAH-WBVHZDCISA-N 1 3 360.506 0.198 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001096355862 1218262849 /nfs/dbraw/zinc/26/28/49/1218262849.db2.gz FHOSZNZVXPRACX-UGUYLWEFSA-N 1 3 356.474 0.583 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000803995635 1218579170 /nfs/dbraw/zinc/57/91/70/1218579170.db2.gz JLJXSBSOMQHENE-IRXDYDNUSA-N 1 3 366.506 0.347 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001226333869 1225840491 /nfs/dbraw/zinc/84/04/91/1225840491.db2.gz OTXIKMUYZQAADD-GBJTYRQASA-N 1 3 367.494 0.189 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)CC[N@H+]1C ZINC001226333869 1225840494 /nfs/dbraw/zinc/84/04/94/1225840494.db2.gz OTXIKMUYZQAADD-GBJTYRQASA-N 1 3 367.494 0.189 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226781884 1225854328 /nfs/dbraw/zinc/85/43/28/1225854328.db2.gz DPKKJUULAZEUAN-ZIAGYGMSSA-N 1 3 367.494 0.333 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001226818293 1225855126 /nfs/dbraw/zinc/85/51/26/1225855126.db2.gz MFBFCKSERRVQII-KZNAEPCWSA-N 1 3 363.506 0.745 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226932920 1225858002 /nfs/dbraw/zinc/85/80/02/1225858002.db2.gz URJBSDAZBQLXBV-NUJGCVRESA-N 1 3 370.538 0.742 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001226921607 1225858065 /nfs/dbraw/zinc/85/80/65/1225858065.db2.gz HNOVWLFEXXYOCN-RKVPGOIHSA-N 1 3 366.506 0.739 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226942385 1225858767 /nfs/dbraw/zinc/85/87/67/1225858767.db2.gz YNEOPQNKPZHITP-KURKYZTESA-N 1 3 370.538 0.742 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804051105 1219103383 /nfs/dbraw/zinc/10/33/83/1219103383.db2.gz NEDUCXRAWAHLAT-YYIAUSFCSA-N 1 3 364.490 0.051 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804051105 1219103385 /nfs/dbraw/zinc/10/33/85/1219103385.db2.gz NEDUCXRAWAHLAT-YYIAUSFCSA-N 1 3 364.490 0.051 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061665 1219117097 /nfs/dbraw/zinc/11/70/97/1219117097.db2.gz WBENAPOVEMYVES-PMPSAXMXSA-N 1 3 366.506 0.202 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061665 1219117100 /nfs/dbraw/zinc/11/71/00/1219117100.db2.gz WBENAPOVEMYVES-PMPSAXMXSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000804062210 1219117607 /nfs/dbraw/zinc/11/76/07/1219117607.db2.gz DDXHBZTUVKRVLO-IRXDYDNUSA-N 1 3 368.522 0.591 20 0 FCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070173772 1219264543 /nfs/dbraw/zinc/26/45/43/1219264543.db2.gz LPAYHGPMZUDSPW-OAGGEKHMSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070173772 1219264546 /nfs/dbraw/zinc/26/45/46/1219264546.db2.gz LPAYHGPMZUDSPW-OAGGEKHMSA-N 1 3 368.522 0.448 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001227614237 1225880116 /nfs/dbraw/zinc/88/01/16/1225880116.db2.gz UOESOVFFGBYVCS-HQWNSDKXSA-N 1 3 364.490 0.003 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]C[C@@H]2CCOC2)c1 ZINC001070541305 1219459951 /nfs/dbraw/zinc/45/99/51/1219459951.db2.gz VCULCAGFNNUUMH-JLJPHGGASA-N 1 3 358.446 0.306 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001070705239 1219534004 /nfs/dbraw/zinc/53/40/04/1219534004.db2.gz KJWCPSXYXMHRNX-GVDBMIGSSA-N 1 3 363.506 0.417 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001228270460 1225906512 /nfs/dbraw/zinc/90/65/12/1225906512.db2.gz QWPISOFDFYBDFM-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001071062372 1219597972 /nfs/dbraw/zinc/59/79/72/1219597972.db2.gz ZGZNXAXXVQQEMT-QBIMZIAESA-N 1 3 366.506 0.330 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001228445339 1225924963 /nfs/dbraw/zinc/92/49/63/1225924963.db2.gz OPRDNNHKQSCAMB-JFIYKMOQSA-N 1 3 368.522 0.448 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)C1 ZINC001099122445 1219921664 /nfs/dbraw/zinc/92/16/64/1219921664.db2.gz UCSIBYOAXBMBAS-ZWOKBUDYSA-N 1 3 362.518 0.921 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)C1 ZINC001099122445 1219921665 /nfs/dbraw/zinc/92/16/65/1219921665.db2.gz UCSIBYOAXBMBAS-ZWOKBUDYSA-N 1 3 362.518 0.921 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443496 1220347448 /nfs/dbraw/zinc/34/74/48/1220347448.db2.gz HSPHNODFJKIICU-LMMKCTJWSA-N 1 3 371.522 0.132 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101443496 1220347452 /nfs/dbraw/zinc/34/74/52/1220347452.db2.gz HSPHNODFJKIICU-LMMKCTJWSA-N 1 3 371.522 0.132 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015455 1220462615 /nfs/dbraw/zinc/46/26/15/1220462615.db2.gz GFTKKMBHKGQJCZ-OAGGEKHMSA-N 1 3 371.501 0.376 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102015455 1220462617 /nfs/dbraw/zinc/46/26/17/1220462617.db2.gz GFTKKMBHKGQJCZ-OAGGEKHMSA-N 1 3 371.501 0.376 20 0 FCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489256 1220652457 /nfs/dbraw/zinc/65/24/57/1220652457.db2.gz ZVMJLYKNEBIVNA-HZPDHXFCSA-N 1 3 363.506 0.715 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531738 1220684523 /nfs/dbraw/zinc/68/45/23/1220684523.db2.gz COQZXHLMJYBQKH-CZUORRHYSA-N 1 3 365.478 0.097 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531738 1220684526 /nfs/dbraw/zinc/68/45/26/1220684526.db2.gz COQZXHLMJYBQKH-CZUORRHYSA-N 1 3 365.478 0.097 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102532647 1220685221 /nfs/dbraw/zinc/68/52/21/1220685221.db2.gz XSBMNJWOTKQTIH-BMFZPTHFSA-N 1 3 360.462 0.202 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001102532647 1220685223 /nfs/dbraw/zinc/68/52/23/1220685223.db2.gz XSBMNJWOTKQTIH-BMFZPTHFSA-N 1 3 360.462 0.202 20 0 FCADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156405 1220841873 /nfs/dbraw/zinc/84/18/73/1220841873.db2.gz BFVCPEBARSSOMU-KFWWJZLASA-N 1 3 366.506 0.596 20 0 FCADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103156405 1220841874 /nfs/dbraw/zinc/84/18/74/1220841874.db2.gz BFVCPEBARSSOMU-KFWWJZLASA-N 1 3 366.506 0.596 20 0 FCADHO Cc1ncc(CN2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)cn1 ZINC001103643805 1220926280 /nfs/dbraw/zinc/92/62/80/1220926280.db2.gz RCKOGJUBEASQFQ-CRAIPNDOSA-N 1 3 363.506 0.937 20 0 FCADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654819 1220929458 /nfs/dbraw/zinc/92/94/58/1220929458.db2.gz DAPPZLOBQBDULA-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103719259 1220952172 /nfs/dbraw/zinc/95/21/72/1220952172.db2.gz WXPKFWXKYHJOQE-NXHRZFHOSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103719259 1220952175 /nfs/dbraw/zinc/95/21/75/1220952175.db2.gz WXPKFWXKYHJOQE-NXHRZFHOSA-N 1 3 364.534 0.929 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103755374 1220966531 /nfs/dbraw/zinc/96/65/31/1220966531.db2.gz FAPLDRQXQFESAQ-KURKYZTESA-N 1 3 365.522 0.658 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001103755374 1220966542 /nfs/dbraw/zinc/96/65/42/1220966542.db2.gz FAPLDRQXQFESAQ-KURKYZTESA-N 1 3 365.522 0.658 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N1CCOCC1 ZINC001103999869 1220996429 /nfs/dbraw/zinc/99/64/29/1220996429.db2.gz NIHVTOLRCLDGJP-ZACQAIPSSA-N 1 3 366.506 0.014 20 0 FCADHO COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001104000019 1220996448 /nfs/dbraw/zinc/99/64/48/1220996448.db2.gz SISHHLGWJUFSRX-ZACQAIPSSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CCNCc1cnnn1C ZINC001104202897 1221021177 /nfs/dbraw/zinc/02/11/77/1221021177.db2.gz VDXSZASBVVSTMA-KYJSFNMBSA-N 1 3 360.506 0.731 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC001112399290 1221252476 /nfs/dbraw/zinc/25/24/76/1221252476.db2.gz LLWCLCSFHJNIQR-HQRMLTQVSA-N 1 3 362.518 0.777 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001120676220 1222114443 /nfs/dbraw/zinc/11/44/43/1222114443.db2.gz VQOQWBHYUNYKHV-GVDBMIGSSA-N 1 3 365.522 0.761 20 0 FCADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001138465804 1222510146 /nfs/dbraw/zinc/51/01/46/1222510146.db2.gz UCRURFQGFLQKOF-UHFFFAOYSA-N 1 3 373.457 0.520 20 0 FCADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001138465804 1222510149 /nfs/dbraw/zinc/51/01/49/1222510149.db2.gz UCRURFQGFLQKOF-UHFFFAOYSA-N 1 3 373.457 0.520 20 0 FCADHO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N3CCN(C)CC3)nc2)O1 ZINC001232361868 1226148941 /nfs/dbraw/zinc/14/89/41/1226148941.db2.gz YIBIVEWCQRCNJP-KZNAEPCWSA-N 1 3 373.501 0.653 20 0 FCADHO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N3CC[NH+](C)CC3)nc2)O1 ZINC001232361868 1226148945 /nfs/dbraw/zinc/14/89/45/1226148945.db2.gz YIBIVEWCQRCNJP-KZNAEPCWSA-N 1 3 373.501 0.653 20 0 FCADHO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N3CCN(C)CC3)nc2)O1 ZINC001232361868 1226148946 /nfs/dbraw/zinc/14/89/46/1226148946.db2.gz YIBIVEWCQRCNJP-KZNAEPCWSA-N 1 3 373.501 0.653 20 0 FCADHO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(N3CCN(C)CC3)nc2)O1 ZINC001232361868 1226148948 /nfs/dbraw/zinc/14/89/48/1226148948.db2.gz YIBIVEWCQRCNJP-KZNAEPCWSA-N 1 3 373.501 0.653 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1C[NH+](C)C ZINC000839483694 1222741572 /nfs/dbraw/zinc/74/15/72/1222741572.db2.gz FIDQGPGAVRFBER-QZTJIDSGSA-N 1 3 374.485 0.975 20 0 FCADHO CC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001277712570 1226168611 /nfs/dbraw/zinc/16/86/11/1226168611.db2.gz JWVJDENMCYKGSJ-QUCCMNQESA-N 1 3 366.550 0.852 20 0 FCADHO CC[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001277712570 1226168614 /nfs/dbraw/zinc/16/86/14/1226168614.db2.gz JWVJDENMCYKGSJ-QUCCMNQESA-N 1 3 366.550 0.852 20 0 FCADHO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC[C@H](N4CC(C[NH3+])C4)C3)c12 ZINC001155372908 1223034058 /nfs/dbraw/zinc/03/40/58/1223034058.db2.gz KXIJPVAWFCUDCA-ZDUSSCGKSA-N 1 3 358.446 0.994 20 0 FCADHO N[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C1CC[NH2+]CC1 ZINC001157629703 1223080066 /nfs/dbraw/zinc/08/00/66/1223080066.db2.gz PZMOTIQVJHPFRD-GOSISDBHSA-N 1 3 360.458 0.386 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001157720214 1223080909 /nfs/dbraw/zinc/08/09/09/1223080909.db2.gz CRMPVWIXEXXFSO-KRWDZBQOSA-N 1 3 360.458 0.229 20 0 FCADHO Cc1ccc([C@H](C(=O)N(C)C[C@@H]2CNCCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720604 1223081213 /nfs/dbraw/zinc/08/12/13/1223081213.db2.gz MKGNONXEBJUMMV-RBUKOAKNSA-N 1 3 360.502 0.906 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001157721396 1223081343 /nfs/dbraw/zinc/08/13/43/1223081343.db2.gz XLFYPGSMOOFREM-OAHLLOKOSA-N 1 3 357.454 0.955 20 0 FCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1 ZINC001158534890 1223101644 /nfs/dbraw/zinc/10/16/44/1223101644.db2.gz VHHCLZCIJGVFBY-PHXBYCTMSA-N 1 3 359.470 0.935 20 0 FCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533456 1223101773 /nfs/dbraw/zinc/10/17/73/1223101773.db2.gz LWWAMZJOQCPOOS-HLNWXESRSA-N 1 3 359.470 0.900 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158683147 1223104887 /nfs/dbraw/zinc/10/48/87/1223104887.db2.gz WCXZSJNDDTXQOT-WNRNVDISSA-N 1 3 362.474 0.813 20 0 FCADHO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](N)Cc1cccc(O)c1)CC2 ZINC001158890948 1223112056 /nfs/dbraw/zinc/11/20/56/1223112056.db2.gz QXPWFDJRFKONQY-KRWDZBQOSA-N 1 3 374.485 0.465 20 0 FCADHO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H](N)Cc1cccc(O)c1)CC2 ZINC001158890948 1223112059 /nfs/dbraw/zinc/11/20/59/1223112059.db2.gz QXPWFDJRFKONQY-KRWDZBQOSA-N 1 3 374.485 0.465 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159031644 1223116286 /nfs/dbraw/zinc/11/62/86/1223116286.db2.gz ZZZQNFUNAXLBRZ-MRXNPFEDSA-N 1 3 359.474 0.489 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159145982 1223118878 /nfs/dbraw/zinc/11/88/78/1223118878.db2.gz KSCDCRFFFMDHLF-TXPKVOOTSA-N 1 3 362.474 0.924 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159225217 1223121243 /nfs/dbraw/zinc/12/12/43/1223121243.db2.gz PIFFXUMSDSWOEQ-ULQDDVLXSA-N 1 3 360.502 0.863 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159225217 1223121246 /nfs/dbraw/zinc/12/12/46/1223121246.db2.gz PIFFXUMSDSWOEQ-ULQDDVLXSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(CNC1CC[NH2+]CC1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667138 1223133181 /nfs/dbraw/zinc/13/31/81/1223133181.db2.gz SUXGMRIIRUDJKO-OALUTQOASA-N 1 3 373.501 0.225 20 0 FCADHO N[C@@H](CC[NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001159888684 1223138708 /nfs/dbraw/zinc/13/87/08/1223138708.db2.gz VBNIWGMVKCMUEF-RDJZCZTQSA-N 1 3 367.444 0.817 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160420719 1223158337 /nfs/dbraw/zinc/15/83/37/1223158337.db2.gz JNBYPOIRULVWPX-ZDUSSCGKSA-N 1 3 358.417 0.447 20 0 FCADHO O=C(N1CCC2(CC1)C(=O)Nc1c2cccc1F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160420863 1223158489 /nfs/dbraw/zinc/15/84/89/1223158489.db2.gz LBOOEEJGPSWVSZ-ZUOKHONESA-N 1 3 372.444 0.837 20 0 FCADHO N[C@H](C(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001160443965 1223160204 /nfs/dbraw/zinc/16/02/04/1223160204.db2.gz SDLOTPPWUUHVEI-IBGZPJMESA-N 1 3 356.470 0.894 20 0 FCADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)CC1 ZINC001160457141 1223160464 /nfs/dbraw/zinc/16/04/64/1223160464.db2.gz YVLSIABZOBVHHD-INIZCTEOSA-N 1 3 361.490 0.767 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160523450 1223163301 /nfs/dbraw/zinc/16/33/01/1223163301.db2.gz BYZKSDBDWBQYLJ-SQNIBIBYSA-N 1 3 373.501 0.845 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)C3(N)Cc4ccccc4C3)C[C@H]1C[NH2+]CC2 ZINC001160811407 1223174781 /nfs/dbraw/zinc/17/47/81/1223174781.db2.gz PGIVEHACPYTXPL-VQIMIIECSA-N 1 3 357.454 0.484 20 0 FCADHO O=C(N1CCC2(CC1)OC(=O)c1ccncc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161011155 1223183277 /nfs/dbraw/zinc/18/32/77/1223183277.db2.gz RDKXGTVYHNFEPC-FZKQIMNGSA-N 1 3 356.426 0.269 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274152 1223193840 /nfs/dbraw/zinc/19/38/40/1223193840.db2.gz PCLLFBXAXPAYLF-ZVZYQTTQSA-N 1 3 361.490 0.652 20 0 FCADHO COc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)CC2)cc1 ZINC001161303110 1223195144 /nfs/dbraw/zinc/19/51/44/1223195144.db2.gz AUTQTJASUKUJOX-KRWDZBQOSA-N 1 3 360.458 0.307 20 0 FCADHO COc1cc(O[C@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C2)ccn1 ZINC001161393576 1223197915 /nfs/dbraw/zinc/19/79/15/1223197915.db2.gz IDHSYSSMVWJXIN-HOTGVXAUSA-N 1 3 360.458 0.944 20 0 FCADHO COc1cc(O[C@H]2CCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C2)ccn1 ZINC001161393576 1223197920 /nfs/dbraw/zinc/19/79/20/1223197920.db2.gz IDHSYSSMVWJXIN-HOTGVXAUSA-N 1 3 360.458 0.944 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161439543 1223199059 /nfs/dbraw/zinc/19/90/59/1223199059.db2.gz VOTPKFGSGGHPAX-WRWLIDTKSA-N 1 3 356.470 0.559 20 0 FCADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)C1 ZINC001161489194 1223202053 /nfs/dbraw/zinc/20/20/53/1223202053.db2.gz LGXSJLWMYXHUCR-KXBFYZLASA-N 1 3 361.490 0.896 20 0 FCADHO [NH3+]C1(C(=O)NCc2ccccc2)CCN(c2ncc3c(n2)CCNC3)CC1 ZINC001161522648 1223203277 /nfs/dbraw/zinc/20/32/77/1223203277.db2.gz WSDVAGIRLZILSQ-UHFFFAOYSA-N 1 3 366.469 0.736 20 0 FCADHO c1cc(NCc2nnn3c2CNCCC3)cn2nnc([C@H]3CCC[NH2+]3)c12 ZINC001162971795 1223222806 /nfs/dbraw/zinc/22/28/06/1223222806.db2.gz NYLOQZCNAYDQLE-CYBMUJFWSA-N 1 3 353.434 0.851 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1nn(-c2cc(C3C[NH2+]C3)ncn2)c2c1CNCC2 ZINC001165934756 1223261662 /nfs/dbraw/zinc/26/16/62/1223261662.db2.gz DMIVVAMKSOETFQ-GFCCVEGCSA-N 1 3 367.457 0.619 20 0 FCADHO NCc1cc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)ncn1 ZINC001166492416 1223279708 /nfs/dbraw/zinc/27/97/08/1223279708.db2.gz JRJRYUWWKKYQLE-UHFFFAOYSA-N 1 3 351.418 0.753 20 0 FCADHO CCn1ccnc1CN1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001207140694 1223419990 /nfs/dbraw/zinc/41/99/90/1223419990.db2.gz BEXKEPGXMXICFW-UHFFFAOYSA-N 1 3 363.506 0.906 20 0 FCADHO CCn1ccnc1CN1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001207140694 1223419993 /nfs/dbraw/zinc/41/99/93/1223419993.db2.gz BEXKEPGXMXICFW-UHFFFAOYSA-N 1 3 363.506 0.906 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207617032 1223461419 /nfs/dbraw/zinc/46/14/19/1223461419.db2.gz MNXIFJKHXJVGLX-BPQIPLTHSA-N 1 3 368.522 0.450 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207617032 1223461423 /nfs/dbraw/zinc/46/14/23/1223461423.db2.gz MNXIFJKHXJVGLX-BPQIPLTHSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001208074168 1223513957 /nfs/dbraw/zinc/51/39/57/1223513957.db2.gz UAECNSBTFILKJU-YESZJQIVSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001208074168 1223513959 /nfs/dbraw/zinc/51/39/59/1223513959.db2.gz UAECNSBTFILKJU-YESZJQIVSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NCCCOC)C2)CC[N@@H+]1C ZINC001208074167 1223514152 /nfs/dbraw/zinc/51/41/52/1223514152.db2.gz UAECNSBTFILKJU-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NCCCOC)C2)CC[N@H+]1C ZINC001208074167 1223514154 /nfs/dbraw/zinc/51/41/54/1223514154.db2.gz UAECNSBTFILKJU-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3c[nH]c4cccnc34)C2)OCC1=O ZINC001276628835 1223605486 /nfs/dbraw/zinc/60/54/86/1223605486.db2.gz CDYXVIDJXICMNR-LJQANCHMSA-N 1 3 357.458 0.928 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1cnccc1N)CC2 ZINC001209730233 1223644769 /nfs/dbraw/zinc/64/47/69/1223644769.db2.gz IHQHZIHNCIXEMO-UHFFFAOYSA-N 1 3 360.506 0.164 20 0 FCADHO Nc1cc[nH+]cc1CN1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001209731031 1223645388 /nfs/dbraw/zinc/64/53/88/1223645388.db2.gz SSKDJNXWRXIYKE-APWZRJJASA-N 1 3 360.458 0.867 20 0 FCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209829913 1223651945 /nfs/dbraw/zinc/65/19/45/1223651945.db2.gz NBTMVTGRPSWLLY-CRAIPNDOSA-N 1 3 363.506 0.510 20 0 FCADHO CCOCCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213456008 1223801109 /nfs/dbraw/zinc/80/11/09/1223801109.db2.gz ZEZXBTLNGPPPLA-KZNAEPCWSA-N 1 3 371.522 0.729 20 0 FCADHO CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214338383 1223902245 /nfs/dbraw/zinc/90/22/45/1223902245.db2.gz PPELEIFXAFPWJE-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214847544 1223948153 /nfs/dbraw/zinc/94/81/53/1223948153.db2.gz IZYYHECNKKIHFT-OWCLPIDISA-N 1 3 366.506 0.202 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889131 1223952283 /nfs/dbraw/zinc/95/22/83/1223952283.db2.gz IDNZCLYKRAVBQI-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889131 1223952287 /nfs/dbraw/zinc/95/22/87/1223952287.db2.gz IDNZCLYKRAVBQI-IXDOHACOSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)NC1CC1 ZINC001214948750 1223958776 /nfs/dbraw/zinc/95/87/76/1223958776.db2.gz YUMYDCFEJNWZQY-BFYDXBDKSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC(=O)NC(C)(C)C ZINC001215423200 1223999035 /nfs/dbraw/zinc/99/90/35/1223999035.db2.gz BHERACKRRIHVAS-ZIAGYGMSSA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCc2ccccc21 ZINC001215463346 1224000559 /nfs/dbraw/zinc/00/05/59/1224000559.db2.gz SLXIIMGSTBVYMZ-NVXWUHKLSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC(=O)NC1CCCC1 ZINC001215460953 1224000799 /nfs/dbraw/zinc/00/07/99/1224000799.db2.gz KPPCAZHFVAVFNZ-UKRRQHHQSA-N 1 3 367.494 0.143 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1)[NH+](CC)CC ZINC001215519010 1224003858 /nfs/dbraw/zinc/00/38/58/1224003858.db2.gz UOIMUVYJUGUDTQ-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1)[NH+]1CCCC1 ZINC001215599094 1224008951 /nfs/dbraw/zinc/00/89/51/1224008951.db2.gz QTJCNVSWTOWCHE-SOLBZPMBSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216092051 1224034121 /nfs/dbraw/zinc/03/41/21/1224034121.db2.gz ZPMIATIOTQENNU-BFYDXBDKSA-N 1 3 368.522 0.448 20 0 FCADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216348133 1224045970 /nfs/dbraw/zinc/04/59/70/1224045970.db2.gz HVAPLKOHZPLWMN-HUUCEWRRSA-N 1 3 369.510 0.520 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216464552 1224052684 /nfs/dbraw/zinc/05/26/84/1224052684.db2.gz QCGDKXRJSFVSDI-NVXWUHKLSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1ccccc1 ZINC001216753991 1224068463 /nfs/dbraw/zinc/06/84/63/1224068463.db2.gz CQWMKMHRPGWGGJ-BPQIPLTHSA-N 1 3 358.486 0.691 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1ccccc1 ZINC001216753991 1224068467 /nfs/dbraw/zinc/06/84/67/1224068467.db2.gz CQWMKMHRPGWGGJ-BPQIPLTHSA-N 1 3 358.486 0.691 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)Nc1ccc(O)cc1 ZINC001216752080 1224068634 /nfs/dbraw/zinc/06/86/34/1224068634.db2.gz GIVCKBMMKCIOJP-CKEIUWERSA-N 1 3 360.458 0.719 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)Nc1ccc(O)cc1 ZINC001216752080 1224068636 /nfs/dbraw/zinc/06/86/36/1224068636.db2.gz GIVCKBMMKCIOJP-CKEIUWERSA-N 1 3 360.458 0.719 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216851803 1224079028 /nfs/dbraw/zinc/07/90/28/1224079028.db2.gz ISGKFFJSAKUIAP-SOLBZPMBSA-N 1 3 371.522 0.320 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN4C(=O)OC[C@H]4C3)CC2)CC1 ZINC000847584270 1245345908 /nfs/dbraw/zinc/34/59/08/1245345908.db2.gz QJVAAMFLSVLYKC-QGZVFWFLSA-N 1 3 364.490 0.846 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892410039 1245459742 /nfs/dbraw/zinc/45/97/42/1245459742.db2.gz FNADBBLWKVKFEA-KRWDZBQOSA-N 1 3 363.506 0.608 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517085 1245504742 /nfs/dbraw/zinc/50/47/42/1245504742.db2.gz GWZRXUNRJKOCRI-IAGOWNOFSA-N 1 3 362.474 0.202 20 0 FCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000923321513 1245708823 /nfs/dbraw/zinc/70/88/23/1245708823.db2.gz GPZAMPSBWJEWKM-ROUUACIJSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000923321513 1245708829 /nfs/dbraw/zinc/70/88/29/1245708829.db2.gz GPZAMPSBWJEWKM-ROUUACIJSA-N 1 3 366.506 0.792 20 0 FCADHO NCC(C[NH3+])NCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000923354566 1245710958 /nfs/dbraw/zinc/71/09/58/1245710958.db2.gz SIJFSWSMJKZYPL-UHFFFAOYSA-N 1 3 355.486 0.360 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COCc2ccccc21 ZINC001327820995 1265435209 /nfs/dbraw/zinc/43/52/09/1265435209.db2.gz RJIDMTDWXRKDJC-KRWDZBQOSA-N 1 3 362.474 0.326 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC001327830390 1265438038 /nfs/dbraw/zinc/43/80/38/1265438038.db2.gz QNJSUYNOJSOVGY-IXDOHACOSA-N 1 3 362.478 0.110 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001329052856 1265682537 /nfs/dbraw/zinc/68/25/37/1265682537.db2.gz DBTRRUXXAGWEMZ-UHFFFAOYSA-N 1 3 363.506 0.551 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CN(CC)CC)CC[N@@H+]1C ZINC001061605261 1254189100 /nfs/dbraw/zinc/18/91/00/1254189100.db2.gz RGFYSUXUAPCUEQ-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CN(CC)CC)CC[N@H+]1C ZINC001061605261 1254189110 /nfs/dbraw/zinc/18/91/10/1254189110.db2.gz RGFYSUXUAPCUEQ-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]2C1)N(C)C ZINC001520267710 1265893637 /nfs/dbraw/zinc/89/36/37/1265893637.db2.gz WIPGGBQKVMYQHZ-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1)N(C)C ZINC001520267710 1265893646 /nfs/dbraw/zinc/89/36/46/1265893646.db2.gz WIPGGBQKVMYQHZ-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO O=C1NC2(CO1)CCN(C/C=C/C[NH+]1CCC3(COC(=O)N3)CC1)CC2 ZINC001329987039 1265915362 /nfs/dbraw/zinc/91/53/62/1265915362.db2.gz GZOLGNGSAWRYNV-OWOJBTEDSA-N 1 3 364.446 0.691 20 0 FCADHO O=C1NC2(CO1)CCN(C/C=C\C[NH+]1CCC3(COC(=O)N3)CC1)CC2 ZINC001329987040 1265915383 /nfs/dbraw/zinc/91/53/83/1265915383.db2.gz GZOLGNGSAWRYNV-UPHRSURJSA-N 1 3 364.446 0.691 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077778588 1254981285 /nfs/dbraw/zinc/98/12/85/1254981285.db2.gz RQHFQBXRAFDDBU-CEXWTWQISA-N 1 3 367.534 0.821 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222984 1255336110 /nfs/dbraw/zinc/33/61/10/1255336110.db2.gz ZUASXZCSNDZDPI-BHIYHBOVSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)c1 ZINC001078222984 1255336117 /nfs/dbraw/zinc/33/61/17/1255336117.db2.gz ZUASXZCSNDZDPI-BHIYHBOVSA-N 1 3 361.486 0.950 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC(N)=O)C2)C1 ZINC001079162380 1255462635 /nfs/dbraw/zinc/46/26/35/1255462635.db2.gz JAZVFHKZDUYFHY-BHYGNILZSA-N 1 3 362.449 0.537 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC(N)=O)C2)C1 ZINC001079162380 1255462641 /nfs/dbraw/zinc/46/26/41/1255462641.db2.gz JAZVFHKZDUYFHY-BHYGNILZSA-N 1 3 362.449 0.537 20 0 FCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245594 1255485748 /nfs/dbraw/zinc/48/57/48/1255485748.db2.gz BDNODXNIZWUUNC-RYQLBKOJSA-N 1 3 365.518 0.791 20 0 FCADHO C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037436 1255719806 /nfs/dbraw/zinc/71/98/06/1255719806.db2.gz KXUQSOFWFVGUQX-OWCLPIDISA-N 1 3 358.490 0.830 20 0 FCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081682437 1256332939 /nfs/dbraw/zinc/33/29/39/1256332939.db2.gz LEDXFRTWLLTSLP-MKXGPGLRSA-N 1 3 365.518 0.959 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC001330527385 1266051205 /nfs/dbraw/zinc/05/12/05/1266051205.db2.gz FQONXKZXSLNKHN-SFHVURJKSA-N 1 3 374.485 0.174 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082511945 1256796884 /nfs/dbraw/zinc/79/68/84/1256796884.db2.gz ABVJRJMHYKGBLW-QLFBSQMISA-N 1 3 364.490 0.493 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082557128 1256852802 /nfs/dbraw/zinc/85/28/02/1256852802.db2.gz PRNJBYNLPQGXGU-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO Cc1oncc1CN[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653467 1256957833 /nfs/dbraw/zinc/95/78/33/1256957833.db2.gz LZUCBKYKYQFAGK-MESWHDRRSA-N 1 3 360.458 0.783 20 0 FCADHO Cc1oncc1CN[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653467 1256957840 /nfs/dbraw/zinc/95/78/40/1256957840.db2.gz LZUCBKYKYQFAGK-MESWHDRRSA-N 1 3 360.458 0.783 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001082653372 1256958126 /nfs/dbraw/zinc/95/81/26/1256958126.db2.gz HWKNJUIURWOZBW-LGFHUAIBSA-N 1 3 356.470 0.881 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)cc1=O ZINC001082742522 1257023825 /nfs/dbraw/zinc/02/38/25/1257023825.db2.gz IQCRECABPNUGQX-SQWLQELKSA-N 1 3 363.458 0.927 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)cc1=O ZINC001082742522 1257023833 /nfs/dbraw/zinc/02/38/33/1257023833.db2.gz IQCRECABPNUGQX-SQWLQELKSA-N 1 3 363.458 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NCc1ccnn1C ZINC001082798512 1257057633 /nfs/dbraw/zinc/05/76/33/1257057633.db2.gz YFEYOTNDJQDGIQ-RHSMWYFYSA-N 1 3 359.478 0.429 20 0 FCADHO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@H]2C)on1 ZINC001082923372 1257146145 /nfs/dbraw/zinc/14/61/45/1257146145.db2.gz GVPBSUZTZFAGKK-IIAWOOMASA-N 1 3 366.462 0.588 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)c1 ZINC001084088205 1257913287 /nfs/dbraw/zinc/91/32/87/1257913287.db2.gz WBNAYTSRNORBNM-MOPGFXCFSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)c1 ZINC001084088205 1257913294 /nfs/dbraw/zinc/91/32/94/1257913294.db2.gz WBNAYTSRNORBNM-MOPGFXCFSA-N 1 3 361.486 0.950 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331185082 1266165672 /nfs/dbraw/zinc/16/56/72/1266165672.db2.gz OCVRVXCAJOYDJS-FGTMMUONSA-N 1 3 373.501 0.748 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001084631056 1258210370 /nfs/dbraw/zinc/21/03/70/1258210370.db2.gz AEWSDKPKMTTYBN-KZNAEPCWSA-N 1 3 361.490 0.119 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C[C@@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001084630685 1258210661 /nfs/dbraw/zinc/21/06/61/1258210661.db2.gz QFPVDEGTDAAQOC-IXDOHACOSA-N 1 3 358.490 0.640 20 0 FCADHO CN(C)c1ccncc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088173181 1258692010 /nfs/dbraw/zinc/69/20/10/1258692010.db2.gz VYZZXWDMQZFVFZ-CABCVRRESA-N 1 3 371.485 0.820 20 0 FCADHO CN(C)c1ccncc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088173181 1258692015 /nfs/dbraw/zinc/69/20/15/1258692015.db2.gz VYZZXWDMQZFVFZ-CABCVRRESA-N 1 3 371.485 0.820 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001088211563 1258734397 /nfs/dbraw/zinc/73/43/97/1258734397.db2.gz PWYZVLMFMYTHJQ-FGTMMUONSA-N 1 3 362.518 0.921 20 0 FCADHO Cc1cc(NC(=O)CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001100343755 1258908844 /nfs/dbraw/zinc/90/88/44/1258908844.db2.gz RFUJLSLHJKAKLB-XSCHDIRWSA-N 1 3 363.462 0.746 20 0 FCADHO Cc1cc(NC(=O)CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001100343755 1258908849 /nfs/dbraw/zinc/90/88/49/1258908849.db2.gz RFUJLSLHJKAKLB-XSCHDIRWSA-N 1 3 363.462 0.746 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105662634 1258923125 /nfs/dbraw/zinc/92/31/25/1258923125.db2.gz POOHHOXYAPHJAD-OHDICMOHSA-N 1 3 368.522 0.040 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1)N(C)C ZINC001106673827 1258939356 /nfs/dbraw/zinc/93/93/56/1258939356.db2.gz NDHXZQHCMRBMBU-INMHGKMJSA-N 1 3 368.522 0.306 20 0 FCADHO COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705005 1258943639 /nfs/dbraw/zinc/94/36/39/1258943639.db2.gz NAGAJYVHWAQETM-RBSFLKMASA-N 1 3 365.478 0.178 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106909091 1258994137 /nfs/dbraw/zinc/99/41/37/1258994137.db2.gz DSEPJVNHUSSVHK-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129220213 1259347578 /nfs/dbraw/zinc/34/75/78/1259347578.db2.gz REHFBOOGDKFRGB-MSOLQXFVSA-N 1 3 356.474 0.814 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001200536249 1259416278 /nfs/dbraw/zinc/41/62/78/1259416278.db2.gz CCEZWYQZBSVGHU-DJIMGWMZSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001200536249 1259416285 /nfs/dbraw/zinc/41/62/85/1259416285.db2.gz CCEZWYQZBSVGHU-DJIMGWMZSA-N 1 3 366.506 0.060 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1cccc(N)n1)CC2 ZINC001233369902 1259548755 /nfs/dbraw/zinc/54/87/55/1259548755.db2.gz HTVJZWIPVKWWDG-UHFFFAOYSA-N 1 3 360.506 0.334 20 0 FCADHO COC(=O)c1ccnc(CN2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)c1 ZINC001236028988 1259587632 /nfs/dbraw/zinc/58/76/32/1259587632.db2.gz WMVBPFSIAAXYMY-DEWZPKMOSA-N 1 3 359.426 0.699 20 0 FCADHO C[C@H]1CCCN1C(=O)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246729864 1259670090 /nfs/dbraw/zinc/67/00/90/1259670090.db2.gz PWTLUTDLGKNUBY-UONOGXRCSA-N 1 3 358.490 0.420 20 0 FCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740568 1259675257 /nfs/dbraw/zinc/67/52/57/1259675257.db2.gz MTPOFOZSARAIMT-PEJOBZMASA-N 1 3 359.474 0.684 20 0 FCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740568 1259675264 /nfs/dbraw/zinc/67/52/64/1259675264.db2.gz MTPOFOZSARAIMT-PEJOBZMASA-N 1 3 359.474 0.684 20 0 FCADHO O=C(NC1CCCC1)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246745706 1259678589 /nfs/dbraw/zinc/67/85/89/1259678589.db2.gz FZUUHABTXFMRLJ-AWEZNQCLSA-N 1 3 358.490 0.468 20 0 FCADHO O=C1N(Cc2cccnc2)CC[C@@]12CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752304 1259679307 /nfs/dbraw/zinc/67/93/07/1259679307.db2.gz ZCXZIUDIEKZDQS-UYAOXDASSA-N 1 3 369.513 0.990 20 0 FCADHO O=C1N(c2cncnc2)CC[C@]12CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765384 1259683755 /nfs/dbraw/zinc/68/37/55/1259683755.db2.gz JMQLBAYIUXWIOH-QAPCUYQASA-N 1 3 356.474 0.390 20 0 FCADHO O=C1N(c2cncnc2)CC[C@]12CCCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246765386 1259685222 /nfs/dbraw/zinc/68/52/22/1259685222.db2.gz JMQLBAYIUXWIOH-YJBOKZPZSA-N 1 3 356.474 0.390 20 0 FCADHO O=C1NC[C@@H](c2nc(-c3ccc4c(n3)CCNC4)no2)C12CC[NH2+]CC2 ZINC001247656472 1259705935 /nfs/dbraw/zinc/70/59/35/1259705935.db2.gz FWQVODGMZNBIOQ-LBPRGKRZSA-N 1 3 354.414 0.361 20 0 FCADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC3(O)CCOCC3)CC[C@@H]21 ZINC001252961221 1259815432 /nfs/dbraw/zinc/81/54/32/1259815432.db2.gz HXXHODBROXQYPV-SQNIBIBYSA-N 1 3 363.506 0.993 20 0 FCADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC3(O)CCOCC3)CC[C@@H]21 ZINC001252961221 1259815446 /nfs/dbraw/zinc/81/54/46/1259815446.db2.gz HXXHODBROXQYPV-SQNIBIBYSA-N 1 3 363.506 0.993 20 0 FCADHO C[N@@H+]1CCC[C@@H](N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517508 1259887689 /nfs/dbraw/zinc/88/76/89/1259887689.db2.gz HSYNOGKRUNXTHZ-BGTYHANMSA-N 1 3 359.474 0.923 20 0 FCADHO C[N@H+]1CCC[C@@H](N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001254517508 1259887696 /nfs/dbraw/zinc/88/76/96/1259887696.db2.gz HSYNOGKRUNXTHZ-BGTYHANMSA-N 1 3 359.474 0.923 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254523657 1259889963 /nfs/dbraw/zinc/88/99/63/1259889963.db2.gz UYDQUFOILBQYJA-QGZVFWFLSA-N 1 3 360.502 0.821 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254523657 1259889973 /nfs/dbraw/zinc/88/99/73/1259889973.db2.gz UYDQUFOILBQYJA-QGZVFWFLSA-N 1 3 360.502 0.821 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335987024 1259931774 /nfs/dbraw/zinc/93/17/74/1259931774.db2.gz RKNLYVIZDWRZCZ-LZZBAHKZSA-N 1 3 351.495 0.498 20 0 FCADHO CC[NH+](CC)CCC(=O)N1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272643218 1260471328 /nfs/dbraw/zinc/47/13/28/1260471328.db2.gz YRYIWYBSPSDODC-IBGZPJMESA-N 1 3 368.522 0.357 20 0 FCADHO C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3CCN3C3CCCCC3)C[C@H](C1)O2 ZINC001273140318 1260607009 /nfs/dbraw/zinc/60/70/09/1260607009.db2.gz GOEFGHHEEXLURX-OTWHNJEPSA-N 1 3 364.534 0.867 20 0 FCADHO CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cc[nH]c4)CC3)[C@@H]2C1 ZINC001279309974 1260834110 /nfs/dbraw/zinc/83/41/10/1260834110.db2.gz QSORNTJIODFJSA-HZPDHXFCSA-N 1 3 359.474 0.115 20 0 FCADHO CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cc[nH]c4)CC3)[C@@H]2C1 ZINC001279309974 1260834117 /nfs/dbraw/zinc/83/41/17/1260834117.db2.gz QSORNTJIODFJSA-HZPDHXFCSA-N 1 3 359.474 0.115 20 0 FCADHO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001279573375 1260895278 /nfs/dbraw/zinc/89/52/78/1260895278.db2.gz BIVBHOILWYENIX-UHFFFAOYSA-N 1 3 358.446 0.991 20 0 FCADHO C[C@@H]1C[C@H]1CN1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825483 1260939124 /nfs/dbraw/zinc/93/91/24/1260939124.db2.gz XRZRQRLMZCEEPO-HIFRSBDPSA-N 1 3 361.494 0.981 20 0 FCADHO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(CCC4CCOCC4)C[C@H]23)CC1 ZINC001279895870 1260954253 /nfs/dbraw/zinc/95/42/53/1260954253.db2.gz DBKCRXCFNZUDCD-DLBZAZTESA-N 1 3 364.490 0.700 20 0 FCADHO CN1CCC([N@@H+]2C[C@@H]3OCCN(C(=O)[C@@H]4CC5CCN4CC5)[C@H]3C2)CC1 ZINC001280070665 1260989976 /nfs/dbraw/zinc/98/99/76/1260989976.db2.gz WXFJKKWFBYSKFD-FHWLQOOXSA-N 1 3 362.518 0.477 20 0 FCADHO CN1CCC([N@H+]2C[C@@H]3OCCN(C(=O)[C@@H]4CC5CCN4CC5)[C@H]3C2)CC1 ZINC001280070665 1260989987 /nfs/dbraw/zinc/98/99/87/1260989987.db2.gz WXFJKKWFBYSKFD-FHWLQOOXSA-N 1 3 362.518 0.477 20 0 FCADHO C[NH+]1CCC(N2C[C@@H]3OCCN(C(=O)[C@@H]4CC5CCN4CC5)[C@H]3C2)CC1 ZINC001280070665 1260989990 /nfs/dbraw/zinc/98/99/90/1260989990.db2.gz WXFJKKWFBYSKFD-FHWLQOOXSA-N 1 3 362.518 0.477 20 0 FCADHO Cn1cncc1N1CC[N@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001280119638 1261009452 /nfs/dbraw/zinc/00/94/52/1261009452.db2.gz ABAIIEKZZDOREM-GOSISDBHSA-N 1 3 357.462 0.478 20 0 FCADHO Cn1cncc1N1CC[N@@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001280119638 1261009456 /nfs/dbraw/zinc/00/94/56/1261009456.db2.gz ABAIIEKZZDOREM-GOSISDBHSA-N 1 3 357.462 0.478 20 0 FCADHO C[NH+]1CCC(C)(CN2CC[C@@H]3C[C@@]32C(=O)N2CCn3cnnc3C2)CC1 ZINC001280211580 1261033727 /nfs/dbraw/zinc/03/37/27/1261033727.db2.gz XGNIWONHWJBUNX-BEFAXECRSA-N 1 3 358.490 0.817 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281852077 1261234949 /nfs/dbraw/zinc/23/49/49/1261234949.db2.gz PZSMQDZATADYPV-BRWVUGGUSA-N 1 3 368.522 0.543 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OC)N(C)C ZINC001281863893 1261241864 /nfs/dbraw/zinc/24/18/64/1261241864.db2.gz RNBXETBAKLNFMI-OWCLPIDISA-N 1 3 366.506 0.297 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1)N(C)C ZINC001282305392 1261410324 /nfs/dbraw/zinc/41/03/24/1261410324.db2.gz WXRYVERYGGXQLC-IXDOHACOSA-N 1 3 364.534 0.975 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472504255 1261471543 /nfs/dbraw/zinc/47/15/43/1261471543.db2.gz YIQAWBLLZJIPBY-KRWDZBQOSA-N 1 3 371.485 0.675 20 0 FCADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn2c1OCCC2 ZINC001475211119 1261524022 /nfs/dbraw/zinc/52/40/22/1261524022.db2.gz UPTRUWBYUPYMRY-UHFFFAOYSA-N 1 3 371.507 0.312 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001316704283 1263429815 /nfs/dbraw/zinc/42/98/15/1263429815.db2.gz OWNXLDBPZLOIGU-KFWWJZLASA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001580385600 1278205243 /nfs/dbraw/zinc/20/52/43/1278205243.db2.gz PWHDOQOFUQYUTQ-FVQBIDKESA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001580385600 1278205252 /nfs/dbraw/zinc/20/52/52/1278205252.db2.gz PWHDOQOFUQYUTQ-FVQBIDKESA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001580385600 1278205260 /nfs/dbraw/zinc/20/52/60/1278205260.db2.gz PWHDOQOFUQYUTQ-FVQBIDKESA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001580385600 1278205266 /nfs/dbraw/zinc/20/52/66/1278205266.db2.gz PWHDOQOFUQYUTQ-FVQBIDKESA-N 1 3 369.473 0.897 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC001320359198 1263788268 /nfs/dbraw/zinc/78/82/68/1263788268.db2.gz IZPXHIRBQJZTSF-HXUWFJFHSA-N 1 3 371.529 0.440 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC001320359198 1263788272 /nfs/dbraw/zinc/78/82/72/1263788272.db2.gz IZPXHIRBQJZTSF-HXUWFJFHSA-N 1 3 371.529 0.440 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)CC1 ZINC001322370307 1264186230 /nfs/dbraw/zinc/18/62/30/1264186230.db2.gz DKOMCVCOIDYAQY-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1(C)C ZINC001322960088 1264302158 /nfs/dbraw/zinc/30/21/58/1264302158.db2.gz XOSVANBMYBJHSX-HOTGVXAUSA-N 1 3 367.538 0.118 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513418080 1265110697 /nfs/dbraw/zinc/11/06/97/1265110697.db2.gz HRWYNMZHTYJFKQ-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001514018735 1265315437 /nfs/dbraw/zinc/31/54/37/1265315437.db2.gz FSYKYOVTWUZUKM-JFIYKMOQSA-N 1 3 352.523 0.974 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001327546797 1265355160 /nfs/dbraw/zinc/35/51/60/1265355160.db2.gz YLZSCMGQRQWQRC-KRWDZBQOSA-N 1 3 362.474 0.331 20 0 FCADHO O=C1NCC2(CCN(C/C=C\C[NH+]3CCC4(CNC(=O)O4)CC3)CC2)O1 ZINC001332727921 1266468533 /nfs/dbraw/zinc/46/85/33/1266468533.db2.gz IWMBXUPTDIMGBI-UPHRSURJSA-N 1 3 364.446 0.691 20 0 FCADHO COC(=O)[C@H]1CN(C)CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001333039601 1266527525 /nfs/dbraw/zinc/52/75/25/1266527525.db2.gz XCYINBYPBFUGRH-ICSRJNTNSA-N 1 3 361.486 0.660 20 0 FCADHO COC(=O)[C@H]1CN(C)CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001333039601 1266527529 /nfs/dbraw/zinc/52/75/29/1266527529.db2.gz XCYINBYPBFUGRH-ICSRJNTNSA-N 1 3 361.486 0.660 20 0 FCADHO O=C(c1cccc2c1CNC2)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636430 1266660445 /nfs/dbraw/zinc/66/04/45/1266660445.db2.gz SFWSZDSAESRRLH-ROUUACIJSA-N 1 3 369.469 0.650 20 0 FCADHO O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001524009208 1266675945 /nfs/dbraw/zinc/67/59/45/1266675945.db2.gz PQUFJFJTGWVUOB-DLBZAZTESA-N 1 3 359.474 0.162 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001334007082 1266775663 /nfs/dbraw/zinc/77/56/63/1266775663.db2.gz ZIARVFKLGOLJAP-JNSHFYNHSA-N 1 3 368.428 0.709 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(c3nnc(-c4cn[nH]n4)n3C)CC2)CC1 ZINC001338309760 1267905209 /nfs/dbraw/zinc/90/52/09/1267905209.db2.gz GAKZCIIATLAXAC-UHFFFAOYSA-N 1 3 359.482 0.597 20 0 FCADHO CCN1CCC([N@H+]2CCCN(c3nnc(-c4cn[nH]n4)n3C)CC2)CC1 ZINC001338309760 1267905216 /nfs/dbraw/zinc/90/52/16/1267905216.db2.gz GAKZCIIATLAXAC-UHFFFAOYSA-N 1 3 359.482 0.597 20 0 FCADHO CC[NH+]1CCC(N2CCCN(c3nnc(-c4cn[nH]n4)n3C)CC2)CC1 ZINC001338309760 1267905226 /nfs/dbraw/zinc/90/52/26/1267905226.db2.gz GAKZCIIATLAXAC-UHFFFAOYSA-N 1 3 359.482 0.597 20 0 FCADHO CN1CCN([C@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC001549999241 1268042838 /nfs/dbraw/zinc/04/28/38/1268042838.db2.gz CJYWKLKULRRXSI-SFHVURJKSA-N 1 3 364.534 0.870 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@@H]4C[NH2+]C[C@@]4(C)C3)ccc2[nH]c1=O ZINC001550115743 1268076659 /nfs/dbraw/zinc/07/66/59/1268076659.db2.gz DDCWWPCVLWLKRI-LIRRHRJNSA-N 1 3 357.458 0.985 20 0 FCADHO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCNC[C@@H](O)C3)cc2)CC1 ZINC001550727986 1268157840 /nfs/dbraw/zinc/15/78/40/1268157840.db2.gz XCTIHYWDUSWUSZ-MRXNPFEDSA-N 1 3 362.474 0.635 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)N(C)C1 ZINC001550762518 1268164156 /nfs/dbraw/zinc/16/41/56/1268164156.db2.gz POSYPHWMEAIJQA-OWCLPIDISA-N 1 3 354.495 0.506 20 0 FCADHO Cc1cccc(CNC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC001550913861 1268184088 /nfs/dbraw/zinc/18/40/88/1268184088.db2.gz QCDFEIWXPLVXLK-PXNSSMCTSA-N 1 3 358.486 0.848 20 0 FCADHO Cc1cccn2c(=O)cc(CN[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)nc12 ZINC001550914742 1268184276 /nfs/dbraw/zinc/18/42/76/1268184276.db2.gz ZEUDBODLCIDIRK-VQIMIIECSA-N 1 3 369.469 0.739 20 0 FCADHO Cc1ccsc1CNC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912593 1268184567 /nfs/dbraw/zinc/18/45/67/1268184567.db2.gz IMBLQCNHRXTOOQ-KSSFIOAISA-N 1 3 364.515 0.909 20 0 FCADHO CN1C[C@@H](O)C[C@@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275662 1268220972 /nfs/dbraw/zinc/22/09/72/1268220972.db2.gz WEFOULPGDYUCAR-NDUQDZPOSA-N 1 3 354.495 0.384 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001551276655 1268221538 /nfs/dbraw/zinc/22/15/38/1268221538.db2.gz HHCSWKYPPZCZNM-DHADLLTHSA-N 1 3 366.506 0.480 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001551276655 1268221547 /nfs/dbraw/zinc/22/15/47/1268221547.db2.gz HHCSWKYPPZCZNM-DHADLLTHSA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001551468856 1268258359 /nfs/dbraw/zinc/25/83/59/1268258359.db2.gz UUBGDTZCKJHCTF-MOPGFXCFSA-N 1 3 373.501 0.052 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551560799 1268270882 /nfs/dbraw/zinc/27/08/82/1268270882.db2.gz LXXUWIAFBRRVRF-XBFCOCLRSA-N 1 3 350.385 0.500 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2occc(=O)c2c1 ZINC001339799326 1268334252 /nfs/dbraw/zinc/33/42/52/1268334252.db2.gz RCTHALPGRYYBEJ-UHFFFAOYSA-N 1 3 374.441 0.683 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552153388 1268394702 /nfs/dbraw/zinc/39/47/02/1268394702.db2.gz DSQRCPCKXIGBCL-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)CC1 ZINC001552168341 1268400697 /nfs/dbraw/zinc/40/06/97/1268400697.db2.gz UTRICFYAXYOOMS-FHLIZLRMSA-N 1 3 362.522 0.174 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)C[C@H](C)O1 ZINC001552283480 1268431636 /nfs/dbraw/zinc/43/16/36/1268431636.db2.gz STLBQZHIQPIIEJ-JZXOWHBKSA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)C[C@H](C)O1 ZINC001552283890 1268433433 /nfs/dbraw/zinc/43/34/33/1268433433.db2.gz VIOWFZLBOSEXPL-HNAWSFBYSA-N 1 3 365.518 0.960 20 0 FCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)C[C@@H]2C1 ZINC001552337684 1268444830 /nfs/dbraw/zinc/44/48/30/1268444830.db2.gz GEJPVIJHAXPXTB-QSJFSLAZSA-N 1 3 361.494 0.814 20 0 FCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)C[C@@H]2C1 ZINC001552337684 1268444834 /nfs/dbraw/zinc/44/48/34/1268444834.db2.gz GEJPVIJHAXPXTB-QSJFSLAZSA-N 1 3 361.494 0.814 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001340197957 1268466807 /nfs/dbraw/zinc/46/68/07/1268466807.db2.gz CTMBPVCIFYWZBQ-UHFFFAOYSA-N 1 3 366.462 0.276 20 0 FCADHO CN1CC[C@]2(C(=O)NCC3(N4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368422 1268639124 /nfs/dbraw/zinc/63/91/24/1268639124.db2.gz GSMLDZOJIHQKEZ-XLIONFOSSA-N 1 3 364.534 0.679 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405050 1268645516 /nfs/dbraw/zinc/64/55/16/1268645516.db2.gz CVAPQVPJHCWVRT-GBESFXJTSA-N 1 3 358.486 0.570 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@]23CC[C@H]2CC[NH2+]3)CC1 ZINC001553541187 1268665609 /nfs/dbraw/zinc/66/56/09/1268665609.db2.gz KAKPDKFTKHIUQL-MAUKXSAKSA-N 1 3 363.506 0.644 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001565779353 1269492927 /nfs/dbraw/zinc/49/29/27/1269492927.db2.gz FARPFLXMEDQBLM-RBSFLKMASA-N 1 3 369.510 0.387 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925184 1269520818 /nfs/dbraw/zinc/52/08/18/1269520818.db2.gz WNUACOOGKVBALM-FHLIZLRMSA-N 1 3 363.506 0.823 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001565925185 1269520971 /nfs/dbraw/zinc/52/09/71/1269520971.db2.gz WNUACOOGKVBALM-JCGIZDLHSA-N 1 3 363.506 0.823 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O)N(C)C ZINC001343606000 1269960573 /nfs/dbraw/zinc/96/05/73/1269960573.db2.gz RYDFKGKZRZTKQA-SOLBZPMBSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OC)N(C)C ZINC001572971460 1270429967 /nfs/dbraw/zinc/42/99/67/1270429967.db2.gz NJRIHRPLQMTVHE-IXDOHACOSA-N 1 3 368.522 0.401 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001573006262 1270490088 /nfs/dbraw/zinc/49/00/88/1270490088.db2.gz XAAJHWVHPUCTCD-ZACQAIPSSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001573006262 1270490091 /nfs/dbraw/zinc/49/00/91/1270490091.db2.gz XAAJHWVHPUCTCD-ZACQAIPSSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001573066855 1270588117 /nfs/dbraw/zinc/58/81/17/1270588117.db2.gz DWZNYEHVCCNLON-BRWVUGGUSA-N 1 3 364.534 0.974 20 0 FCADHO O=C(NC[C@]1(O)CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001580635365 1278596284 /nfs/dbraw/zinc/59/62/84/1278596284.db2.gz NLXGMUGCIDUZEG-RDJZCZTQSA-N 1 3 353.413 0.984 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3CC[NH3+])C2)CC1 ZINC001575700577 1272322085 /nfs/dbraw/zinc/32/20/85/1272322085.db2.gz RJDALCFMDOLMPV-QGZVFWFLSA-N 1 3 361.538 0.794 20 0 FCADHO C[C@H](NCc1c[nH]nn1)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001575702095 1272323263 /nfs/dbraw/zinc/32/32/63/1272323263.db2.gz KMBFZNVONQUEJC-HOCLYGCPSA-N 1 3 350.467 0.386 20 0 FCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[NH+](C)C ZINC001576505713 1273374286 /nfs/dbraw/zinc/37/42/86/1273374286.db2.gz KPNIMHPEWOPOCX-CMPLNLGQSA-N 1 3 351.480 0.863 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)C1CC([NH2+]CCc2cn[nH]n2)C1 ZINC001576711694 1273581889 /nfs/dbraw/zinc/58/18/89/1273581889.db2.gz ICDQEUXVAKXNNL-UHFFFAOYSA-N 1 3 364.494 0.285 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)C1CC([NH2+]CCc2c[nH]nn2)C1 ZINC001576711694 1273581898 /nfs/dbraw/zinc/58/18/98/1273581898.db2.gz ICDQEUXVAKXNNL-UHFFFAOYSA-N 1 3 364.494 0.285 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794281 1273695601 /nfs/dbraw/zinc/69/56/01/1273695601.db2.gz DRANWKAQOAIHBF-GJZGRUSLSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794281 1273695609 /nfs/dbraw/zinc/69/56/09/1273695609.db2.gz DRANWKAQOAIHBF-GJZGRUSLSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794281 1273695618 /nfs/dbraw/zinc/69/56/18/1273695618.db2.gz DRANWKAQOAIHBF-GJZGRUSLSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794281 1273695629 /nfs/dbraw/zinc/69/56/29/1273695629.db2.gz DRANWKAQOAIHBF-GJZGRUSLSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794283 1273695902 /nfs/dbraw/zinc/69/59/02/1273695902.db2.gz DRANWKAQOAIHBF-LSDHHAIUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576794283 1273695909 /nfs/dbraw/zinc/69/59/09/1273695909.db2.gz DRANWKAQOAIHBF-LSDHHAIUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794283 1273695919 /nfs/dbraw/zinc/69/59/19/1273695919.db2.gz DRANWKAQOAIHBF-LSDHHAIUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576794283 1273695929 /nfs/dbraw/zinc/69/59/29/1273695929.db2.gz DRANWKAQOAIHBF-LSDHHAIUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576815320 1273734330 /nfs/dbraw/zinc/73/43/30/1273734330.db2.gz DLGSLBAKIHVTAG-ZDUSSCGKSA-N 1 3 363.441 0.942 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001576839704 1273776025 /nfs/dbraw/zinc/77/60/25/1273776025.db2.gz UBLILBYDOLZBKD-HOTGVXAUSA-N 1 3 350.467 0.386 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001576839704 1273776034 /nfs/dbraw/zinc/77/60/34/1273776034.db2.gz UBLILBYDOLZBKD-HOTGVXAUSA-N 1 3 350.467 0.386 20 0 FCADHO O=C(NCc1cn(C2C[NH2+]C2)nn1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001580727692 1278817217 /nfs/dbraw/zinc/81/72/17/1278817217.db2.gz YRSOYUMVBRNTAW-HNNXBMFYSA-N 1 3 355.446 0.496 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@H]2CCCN(CCc3c[nH]nn3)C2)CC1 ZINC001576884742 1273874954 /nfs/dbraw/zinc/87/49/54/1273874954.db2.gz ZCMFTPCOOHYUEE-HNNXBMFYSA-N 1 3 350.467 0.039 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577670458 1274696481 /nfs/dbraw/zinc/69/64/81/1274696481.db2.gz ULRNQGOLGYBJSC-INIZCTEOSA-N 1 3 372.477 0.737 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577670458 1274696487 /nfs/dbraw/zinc/69/64/87/1274696487.db2.gz ULRNQGOLGYBJSC-INIZCTEOSA-N 1 3 372.477 0.737 20 0 FCADHO CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH2+]CC2)CC1 ZINC001577775479 1274866783 /nfs/dbraw/zinc/86/67/83/1274866783.db2.gz HFJYVOBXTRBBCJ-KRWDZBQOSA-N 1 3 363.554 0.912 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577869482 1275052403 /nfs/dbraw/zinc/05/24/03/1275052403.db2.gz FBQIXHIYGJBUDG-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577869482 1275052410 /nfs/dbraw/zinc/05/24/10/1275052410.db2.gz FBQIXHIYGJBUDG-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[NH+](C)CCCOc1cnccc1CNC(=O)c1[nH]nc2c1CNCC2 ZINC001578416848 1275785540 /nfs/dbraw/zinc/78/55/40/1275785540.db2.gz HFDBHBKYMVRFNN-UHFFFAOYSA-N 1 3 358.446 0.711 20 0 FCADHO C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1CNCCO1 ZINC001578416777 1275786407 /nfs/dbraw/zinc/78/64/07/1275786407.db2.gz BTGMZNIUMRVKSC-OAHLLOKOSA-N 1 3 351.451 0.200 20 0 FCADHO C[NH+]1CCC(CNC(=O)c2cccc3c2CNC3)(N2CCOCC2)CC1 ZINC001578525294 1275957302 /nfs/dbraw/zinc/95/73/02/1275957302.db2.gz UTRHSQLHSXTMEZ-UHFFFAOYSA-N 1 3 358.486 0.816 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001578976155 1276526007 /nfs/dbraw/zinc/52/60/07/1276526007.db2.gz PHJYBNITDHGKJT-MRXNPFEDSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578976416 1276527747 /nfs/dbraw/zinc/52/77/47/1276527747.db2.gz ZAHJDLIYCMDLKL-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578976416 1276527753 /nfs/dbraw/zinc/52/77/53/1276527753.db2.gz ZAHJDLIYCMDLKL-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001578976825 1276530514 /nfs/dbraw/zinc/53/05/14/1276530514.db2.gz GLSGZSIXROQTQQ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001578977661 1276531257 /nfs/dbraw/zinc/53/12/57/1276531257.db2.gz UHQRTEXYWJOZJR-OAHLLOKOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001578977661 1276531262 /nfs/dbraw/zinc/53/12/62/1276531262.db2.gz UHQRTEXYWJOZJR-OAHLLOKOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578987965 1276559002 /nfs/dbraw/zinc/55/90/02/1276559002.db2.gz JNOAMMZYSSICPY-FZNQNYSPSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578987965 1276559006 /nfs/dbraw/zinc/55/90/06/1276559006.db2.gz JNOAMMZYSSICPY-FZNQNYSPSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001578987949 1276560471 /nfs/dbraw/zinc/56/04/71/1276560471.db2.gz IGHWDNXZJMDQAH-HDJSIYSDSA-N 1 3 361.425 0.694 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001578987949 1276560475 /nfs/dbraw/zinc/56/04/75/1276560475.db2.gz IGHWDNXZJMDQAH-HDJSIYSDSA-N 1 3 361.425 0.694 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578988514 1276561968 /nfs/dbraw/zinc/56/19/68/1276561968.db2.gz ZAHJDLIYCMDLKL-KOMQPUFPSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578988514 1276561972 /nfs/dbraw/zinc/56/19/72/1276561972.db2.gz ZAHJDLIYCMDLKL-KOMQPUFPSA-N 1 3 357.462 0.803 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001579022200 1276600732 /nfs/dbraw/zinc/60/07/32/1276600732.db2.gz TZDXUTNIUVWKJG-OWCLPIDISA-N 1 3 366.510 0.881 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC001579275513 1277082169 /nfs/dbraw/zinc/08/21/69/1277082169.db2.gz XIBAISZAXKLEBT-KRWDZBQOSA-N 1 3 358.442 0.927 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579331188 1277160738 /nfs/dbraw/zinc/16/07/38/1277160738.db2.gz AROJKIKMQBEMIL-AWEZNQCLSA-N 1 3 355.446 0.557 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579331188 1277160740 /nfs/dbraw/zinc/16/07/40/1277160740.db2.gz AROJKIKMQBEMIL-AWEZNQCLSA-N 1 3 355.446 0.557 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335035 1277173103 /nfs/dbraw/zinc/17/31/03/1277173103.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NCC[NH+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335035 1277173106 /nfs/dbraw/zinc/17/31/06/1277173106.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335035 1277173108 /nfs/dbraw/zinc/17/31/08/1277173108.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579335035 1277173110 /nfs/dbraw/zinc/17/31/10/1277173110.db2.gz LZRQPYXIRXJZQU-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338222 1277181334 /nfs/dbraw/zinc/18/13/34/1277181334.db2.gz JVAPRRDCQJKDQX-BMFZPTHFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579338222 1277181335 /nfs/dbraw/zinc/18/13/35/1277181335.db2.gz JVAPRRDCQJKDQX-BMFZPTHFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338222 1277181338 /nfs/dbraw/zinc/18/13/38/1277181338.db2.gz JVAPRRDCQJKDQX-BMFZPTHFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579338222 1277181340 /nfs/dbraw/zinc/18/13/40/1277181340.db2.gz JVAPRRDCQJKDQX-BMFZPTHFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339770 1277183759 /nfs/dbraw/zinc/18/37/59/1277183759.db2.gz LYJDMTSEHGKJHO-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339770 1277183760 /nfs/dbraw/zinc/18/37/60/1277183760.db2.gz LYJDMTSEHGKJHO-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339770 1277183761 /nfs/dbraw/zinc/18/37/61/1277183761.db2.gz LYJDMTSEHGKJHO-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339770 1277183762 /nfs/dbraw/zinc/18/37/62/1277183762.db2.gz LYJDMTSEHGKJHO-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1-c1nnn[n-]1 ZINC001580014790 1277990748 /nfs/dbraw/zinc/99/07/48/1277990748.db2.gz JRIJJHBKAKZMMA-LBPRGKRZSA-N 1 3 361.450 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1-c1nn[n-]n1 ZINC001580014790 1277990751 /nfs/dbraw/zinc/99/07/51/1277990751.db2.gz JRIJJHBKAKZMMA-LBPRGKRZSA-N 1 3 361.450 0.421 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580280023 1278080732 /nfs/dbraw/zinc/08/07/32/1278080732.db2.gz QVPRUOBWDMTVCJ-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580280023 1278080738 /nfs/dbraw/zinc/08/07/38/1278080738.db2.gz QVPRUOBWDMTVCJ-SUMWQHHRSA-N 1 3 369.473 0.803 20 0 FCADHO Cc1cc(N[C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988775 1279188449 /nfs/dbraw/zinc/18/84/49/1279188449.db2.gz URQHAOMJPZKJDO-BLLLJJGKSA-N 1 3 374.493 0.885 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581026424 1279259375 /nfs/dbraw/zinc/25/93/75/1279259375.db2.gz GNDZCAWTULPXEU-UHFFFAOYSA-N 1 3 372.477 0.737 20 0 FCADHO Cc1cc(NCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581028298 1279264960 /nfs/dbraw/zinc/26/49/60/1279264960.db2.gz PCWWXMINZRYCMI-KBPBESRZSA-N 1 3 372.477 0.735 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001715202436 1287346907 /nfs/dbraw/zinc/34/69/07/1287346907.db2.gz UICGNGZOJLSHTM-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001715202436 1287346908 /nfs/dbraw/zinc/34/69/08/1287346908.db2.gz UICGNGZOJLSHTM-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001589826960 1283064167 /nfs/dbraw/zinc/06/41/67/1283064167.db2.gz MYIGUNKBHFXVLU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](CC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001589826960 1283064173 /nfs/dbraw/zinc/06/41/73/1283064173.db2.gz MYIGUNKBHFXVLU-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO COc1ccc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC001591599935 1284763620 /nfs/dbraw/zinc/76/36/20/1284763620.db2.gz VIABXFGXARWTDZ-UHFFFAOYSA-N 1 3 373.461 0.423 20 0 FCADHO Cc1cc(NCCCNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001592046585 1285088592 /nfs/dbraw/zinc/08/85/92/1285088592.db2.gz CNTNNXIDLQYYPI-HNNXBMFYSA-N 1 3 360.466 0.496 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001735931740 1289046932 /nfs/dbraw/zinc/04/69/32/1289046932.db2.gz KSRXEZWTHDRHFY-OAGGEKHMSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001735931740 1289046943 /nfs/dbraw/zinc/04/69/43/1289046943.db2.gz KSRXEZWTHDRHFY-OAGGEKHMSA-N 1 3 366.506 0.031 20 0 FCADHO C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284583 1289050354 /nfs/dbraw/zinc/05/03/54/1289050354.db2.gz UXILANTZKMGYKJ-HOCLYGCPSA-N 1 3 360.462 0.928 20 0 FCADHO C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284583 1289050360 /nfs/dbraw/zinc/05/03/60/1289050360.db2.gz UXILANTZKMGYKJ-HOCLYGCPSA-N 1 3 360.462 0.928 20 0 FCADHO CC[C@@H](C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1)OC ZINC001707178204 1286491637 /nfs/dbraw/zinc/49/16/37/1286491637.db2.gz IISCOMBKECACFG-VHDGCEQUSA-N 1 3 365.478 0.653 20 0 FCADHO CC[C@@H](C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1)OC ZINC001707178204 1286491639 /nfs/dbraw/zinc/49/16/39/1286491639.db2.gz IISCOMBKECACFG-VHDGCEQUSA-N 1 3 365.478 0.653 20 0 FCADHO CCN1CCN([C@@H]2CCN(c3nnc(C)n3CC[NH+]3CCCC3)C2)CC1 ZINC001710287511 1287171065 /nfs/dbraw/zinc/17/10/65/1287171065.db2.gz BIUBUITYYJIJEF-GOSISDBHSA-N 1 3 361.538 0.899 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)Cc3c[nH]cn3)CC2)CC[N@@H+]1C ZINC001721316281 1288330214 /nfs/dbraw/zinc/33/02/14/1288330214.db2.gz KLFJZDKLTYKZQK-RHSMWYFYSA-N 1 3 361.490 0.989 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)Cc3c[nH]cn3)CC2)CC[N@H+]1C ZINC001721316281 1288330222 /nfs/dbraw/zinc/33/02/22/1288330222.db2.gz KLFJZDKLTYKZQK-RHSMWYFYSA-N 1 3 361.490 0.989 20 0 FCADHO O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001607096080 1288660152 /nfs/dbraw/zinc/66/01/52/1288660152.db2.gz AANRYCPENLNRHE-IAGOWNOFSA-N 1 3 372.473 0.928 20 0 FCADHO c1cc(-c2nnn[n-]2)cc(C2([NH2+]C[C@@H]3CC4(C[NH2+]C4)CO3)CCOCC2)c1 ZINC001607113872 1288668198 /nfs/dbraw/zinc/66/81/98/1288668198.db2.gz XXIJFGNLNWGIFF-INIZCTEOSA-N 1 3 370.457 0.841 20 0 FCADHO c1cc(-c2nn[n-]n2)cc(C2([NH2+]C[C@@H]3CC4(C[NH2+]C4)CO3)CCOCC2)c1 ZINC001607113872 1288668206 /nfs/dbraw/zinc/66/82/06/1288668206.db2.gz XXIJFGNLNWGIFF-INIZCTEOSA-N 1 3 370.457 0.841 20 0 FCADHO CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609227815 1288999033 /nfs/dbraw/zinc/99/90/33/1288999033.db2.gz OPCBBQZUGXUEPZ-INIZCTEOSA-N 1 3 360.462 0.928 20 0 FCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001692084025 1289389810 /nfs/dbraw/zinc/38/98/10/1289389810.db2.gz RPCQMFPWLZNUHD-MCIONIFRSA-N 1 3 355.483 0.128 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001698720670 1289533101 /nfs/dbraw/zinc/53/31/01/1289533101.db2.gz CAOMJVKVNFRDKV-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001698720670 1289533103 /nfs/dbraw/zinc/53/31/03/1289533103.db2.gz CAOMJVKVNFRDKV-OIISXLGYSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CNCC(=O)NCc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699363376 1289551177 /nfs/dbraw/zinc/55/11/77/1289551177.db2.gz QFYTYBRJMYDBIT-CKEIUWERSA-N 1 3 364.465 0.876 20 0 FCADHO C[C@H](CNCC(=O)NCc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699363376 1289551181 /nfs/dbraw/zinc/55/11/81/1289551181.db2.gz QFYTYBRJMYDBIT-CKEIUWERSA-N 1 3 364.465 0.876 20 0 FCADHO CCN(C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699751220 1289565559 /nfs/dbraw/zinc/56/55/59/1289565559.db2.gz ODWRXOXEJOALQU-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699751220 1289565565 /nfs/dbraw/zinc/56/55/65/1289565565.db2.gz ODWRXOXEJOALQU-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CN(CC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CCC1 ZINC001739640198 1290281111 /nfs/dbraw/zinc/28/11/11/1290281111.db2.gz WXHKMBXUDLGFEH-SJORKVTESA-N 1 3 366.506 0.035 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001676422620 1292202827 /nfs/dbraw/zinc/20/28/27/1292202827.db2.gz XRHKYKIBYUXODQ-RHSMWYFYSA-N 1 3 354.495 0.242 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001689067135 1294591015 /nfs/dbraw/zinc/59/10/15/1294591015.db2.gz QPDCWKQUFPECNJ-BZUAXINKSA-N 1 3 370.538 0.694 20 0 FCADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001689099948 1294617090 /nfs/dbraw/zinc/61/70/90/1294617090.db2.gz LFXZOTYWOPYJHN-ILXRZTDVSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@H](O)COCC(F)(F)F ZINC001689314585 1294738287 /nfs/dbraw/zinc/73/82/87/1294738287.db2.gz CHIAAEXRPOPJDM-AGIUHOORSA-N 1 3 355.401 0.457 20 0 FCADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866619 721111168 /nfs/dbraw/zinc/11/11/68/721111168.db2.gz UGOSRUDTKNCJEV-QZTJIDSGSA-N 1 3 366.469 0.997 20 0 FCADHO Cn1cc(CN2CC[C@@H]3CN(c4cc(C5C[NH2+]C5)ncn4)C[C@H]3C2)cn1 ZINC001164767976 721248352 /nfs/dbraw/zinc/24/83/52/721248352.db2.gz XIROHAVXLXSWKK-NVXWUHKLSA-N 1 3 353.474 0.855 20 0 FCADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883614 721400531 /nfs/dbraw/zinc/40/05/31/721400531.db2.gz BGAJPIIEHGNGMQ-HKUYNNGSSA-N 1 3 360.506 0.701 20 0 FCADHO CN1CCN(c2ccc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nn2)CC1 ZINC001164927070 721850496 /nfs/dbraw/zinc/85/04/96/721850496.db2.gz JISDKOWVSBVPAE-DLBZAZTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927070 721850497 /nfs/dbraw/zinc/85/04/97/721850497.db2.gz JISDKOWVSBVPAE-DLBZAZTESA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927070 721850499 /nfs/dbraw/zinc/85/04/99/721850499.db2.gz JISDKOWVSBVPAE-DLBZAZTESA-N 1 3 359.522 0.443 20 0 FCADHO C[C@H](O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001099327532 844025762 /nfs/dbraw/zinc/02/57/62/844025762.db2.gz BKUZTJTURBDIKY-IACUBPJLSA-N 1 3 367.412 0.457 20 0 FCADHO O=C(CN1CCCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099344037 844036714 /nfs/dbraw/zinc/03/67/14/844036714.db2.gz WEUXVDZSWUWQDB-CHWSQXEVSA-N 1 3 360.384 0.353 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101345087 844153509 /nfs/dbraw/zinc/15/35/09/844153509.db2.gz STTRQNHVDIQNME-QAPCUYQASA-N 1 3 351.495 0.134 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368820 844163268 /nfs/dbraw/zinc/16/32/68/844163268.db2.gz PEGPFBDDMOCMGR-VCBZYWHSSA-N 1 3 350.507 0.633 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368820 844163276 /nfs/dbraw/zinc/16/32/76/844163276.db2.gz PEGPFBDDMOCMGR-VCBZYWHSSA-N 1 3 350.507 0.633 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443661 844187264 /nfs/dbraw/zinc/18/72/64/844187264.db2.gz NIYNLWCKUFKUPT-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443661 844187270 /nfs/dbraw/zinc/18/72/70/844187270.db2.gz NIYNLWCKUFKUPT-MDZRGWNJSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065205271 836820570 /nfs/dbraw/zinc/82/05/70/836820570.db2.gz BHNVWYABWGSSOP-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065205271 836820576 /nfs/dbraw/zinc/82/05/76/836820576.db2.gz BHNVWYABWGSSOP-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219296 838821903 /nfs/dbraw/zinc/82/19/03/838821903.db2.gz PIOFKTXBYWQMPH-GVDBMIGSSA-N 1 3 351.491 0.593 20 0 FCADHO CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)[C@H](C)C1 ZINC001102015891 844375519 /nfs/dbraw/zinc/37/55/19/844375519.db2.gz URYWWTRKVNUFLE-OAGGEKHMSA-N 1 3 358.502 0.829 20 0 FCADHO CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)[C@H](C)C1 ZINC001102015891 844375529 /nfs/dbraw/zinc/37/55/29/844375529.db2.gz URYWWTRKVNUFLE-OAGGEKHMSA-N 1 3 358.502 0.829 20 0 FCADHO CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171462 844434133 /nfs/dbraw/zinc/43/41/33/844434133.db2.gz YXIVGCIUKLOWJB-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171462 844434136 /nfs/dbraw/zinc/43/41/36/844434136.db2.gz YXIVGCIUKLOWJB-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213404 844445654 /nfs/dbraw/zinc/44/56/54/844445654.db2.gz DWGGFDOJOODUHC-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102213405 844446365 /nfs/dbraw/zinc/44/63/65/844446365.db2.gz DWGGFDOJOODUHC-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](CN1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102294457 844459735 /nfs/dbraw/zinc/45/97/35/844459735.db2.gz ZARKKDIDVYFZJE-BZUAXINKSA-N 1 3 361.552 0.693 20 0 FCADHO C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289837 844460170 /nfs/dbraw/zinc/46/01/70/844460170.db2.gz TVXYSFXPZRLPDZ-BZUAXINKSA-N 1 3 371.547 0.447 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001102330147 844468035 /nfs/dbraw/zinc/46/80/35/844468035.db2.gz FIQHKGNYTQBIJQ-BZUAXINKSA-N 1 3 353.511 0.282 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)N(C)C ZINC001102330147 844468040 /nfs/dbraw/zinc/46/80/40/844468040.db2.gz FIQHKGNYTQBIJQ-BZUAXINKSA-N 1 3 353.511 0.282 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368232 844476802 /nfs/dbraw/zinc/47/68/02/844476802.db2.gz LYRGCYZNDZHPFM-HLLBOEOZSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368232 844476804 /nfs/dbraw/zinc/47/68/04/844476804.db2.gz LYRGCYZNDZHPFM-HLLBOEOZSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368319 844478274 /nfs/dbraw/zinc/47/82/74/844478274.db2.gz PNMPWGQKEFJVRS-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368319 844478279 /nfs/dbraw/zinc/47/82/79/844478279.db2.gz PNMPWGQKEFJVRS-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369842 844478363 /nfs/dbraw/zinc/47/83/63/844478363.db2.gz IHXCOAAFIYJHHI-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369842 844478365 /nfs/dbraw/zinc/47/83/65/844478365.db2.gz IHXCOAAFIYJHHI-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082559727 840465350 /nfs/dbraw/zinc/46/53/50/840465350.db2.gz NRICCGICUIFNBZ-XYPHTWIQSA-N 1 3 371.547 0.588 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082561608 840466179 /nfs/dbraw/zinc/46/61/79/840466179.db2.gz DZQVWALNKUHMTG-IJEWVQPXSA-N 1 3 357.520 0.342 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082561868 840466756 /nfs/dbraw/zinc/46/67/56/840466756.db2.gz XDMJXJMWGMCVOL-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082920105 840602003 /nfs/dbraw/zinc/60/20/03/840602003.db2.gz QNQBMWDEBXILJZ-IXDOHACOSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082920105 840602007 /nfs/dbraw/zinc/60/20/07/840602007.db2.gz QNQBMWDEBXILJZ-IXDOHACOSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001082944022 840616689 /nfs/dbraw/zinc/61/66/89/840616689.db2.gz ZSJUYZXQYHNQRD-JFIYKMOQSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)C1=O ZINC001082941914 840616966 /nfs/dbraw/zinc/61/69/66/840616966.db2.gz UNFYRWBMSSFNSM-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001082944023 840617055 /nfs/dbraw/zinc/61/70/55/840617055.db2.gz ZSJUYZXQYHNQRD-NUJGCVRESA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578271 844572824 /nfs/dbraw/zinc/57/28/24/844572824.db2.gz TVBANOOWBYECNU-HYVNUMGLSA-N 1 3 350.507 0.491 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578271 844572826 /nfs/dbraw/zinc/57/28/26/844572826.db2.gz TVBANOOWBYECNU-HYVNUMGLSA-N 1 3 350.507 0.491 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102582966 844577114 /nfs/dbraw/zinc/57/71/14/844577114.db2.gz HFNUBONSWJFPGU-BRWVUGGUSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596475 844586890 /nfs/dbraw/zinc/58/68/90/844586890.db2.gz HQWPEESEURWDFH-ZACQAIPSSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563428 841172853 /nfs/dbraw/zinc/17/28/53/841172853.db2.gz PIOFKTXBYWQMPH-BBWFWOEESA-N 1 3 351.491 0.593 20 0 FCADHO CN(C)CC1(C[N@@H+]2CC[C@@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862473 861230592 /nfs/dbraw/zinc/23/05/92/861230592.db2.gz HZFVVXVDLCMLQU-LJQANCHMSA-N 1 3 351.491 0.811 20 0 FCADHO CN(C)CC1(C[N@H+]2CC[C@@]3(C2)CN(C2COC2)C(=O)CO3)CCCC1 ZINC001275862473 861230606 /nfs/dbraw/zinc/23/06/06/861230606.db2.gz HZFVVXVDLCMLQU-LJQANCHMSA-N 1 3 351.491 0.811 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087084733 842277275 /nfs/dbraw/zinc/27/72/75/842277275.db2.gz QGTXYAHZAHBRHM-VHDGCEQUSA-N 1 3 355.508 0.831 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1CC1CCS(=O)(=O)CC1 ZINC001087829594 842443320 /nfs/dbraw/zinc/44/33/20/842443320.db2.gz MLAAOMVFMXMSFP-DLBZAZTESA-N 1 3 371.547 0.876 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001087829594 842443323 /nfs/dbraw/zinc/44/33/23/842443323.db2.gz MLAAOMVFMXMSFP-DLBZAZTESA-N 1 3 371.547 0.876 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001087829594 842443330 /nfs/dbraw/zinc/44/33/30/842443330.db2.gz MLAAOMVFMXMSFP-DLBZAZTESA-N 1 3 371.547 0.876 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092658265 843269376 /nfs/dbraw/zinc/26/93/76/843269376.db2.gz NPFQVXJRRRAOJF-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092658265 843269387 /nfs/dbraw/zinc/26/93/87/843269387.db2.gz NPFQVXJRRRAOJF-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083847 844697736 /nfs/dbraw/zinc/69/77/36/844697736.db2.gz LTALXOBTURMFER-BRWVUGGUSA-N 1 3 352.523 0.785 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083847 844697740 /nfs/dbraw/zinc/69/77/40/844697740.db2.gz LTALXOBTURMFER-BRWVUGGUSA-N 1 3 352.523 0.785 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185626 844719070 /nfs/dbraw/zinc/71/90/70/844719070.db2.gz HSEYTEWPMDROQD-HZPDHXFCSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438670 844759282 /nfs/dbraw/zinc/75/92/82/844759282.db2.gz VTZDEXFLQUQRKO-OAGGEKHMSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438670 844759291 /nfs/dbraw/zinc/75/92/91/844759291.db2.gz VTZDEXFLQUQRKO-OAGGEKHMSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103644586 844794276 /nfs/dbraw/zinc/79/42/76/844794276.db2.gz HBTXQYDBQDTNAH-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103644586 844794283 /nfs/dbraw/zinc/79/42/83/844794283.db2.gz HBTXQYDBQDTNAH-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104290478 844890961 /nfs/dbraw/zinc/89/09/61/844890961.db2.gz AHWLLLNDSGJEMQ-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001104346517 844895713 /nfs/dbraw/zinc/89/57/13/844895713.db2.gz FIDOFJZAWFDURM-DJIMGWMZSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001104641246 844929067 /nfs/dbraw/zinc/92/90/67/844929067.db2.gz HAQGIIAJQHGMOF-BZUAXINKSA-N 1 3 361.552 0.691 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104676643 844931587 /nfs/dbraw/zinc/93/15/87/844931587.db2.gz SHHQUBCQIGWEDE-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832860 844950408 /nfs/dbraw/zinc/95/04/08/844950408.db2.gz XXAHXDUIMUZQIT-KZNAEPCWSA-N 1 3 355.523 0.800 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001105064203 844976582 /nfs/dbraw/zinc/97/65/82/844976582.db2.gz CFECMTGJIUONEB-NVXWUHKLSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001105067259 844977182 /nfs/dbraw/zinc/97/71/82/844977182.db2.gz UFMMKHPZNDCHRS-HZPDHXFCSA-N 1 3 353.511 0.426 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCOCCO ZINC001106134002 845109955 /nfs/dbraw/zinc/10/99/55/845109955.db2.gz VENUPSDMNJQKND-IAGOWNOFSA-N 1 3 355.523 0.944 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106249557 845142995 /nfs/dbraw/zinc/14/29/95/845142995.db2.gz KVHKOJHPYFTBAU-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106249535 845143016 /nfs/dbraw/zinc/14/30/16/845143016.db2.gz JUGJBRQFURXXFB-DDUZABMNSA-N 1 3 350.507 0.632 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1)N(C)C ZINC001106282229 845148083 /nfs/dbraw/zinc/14/80/83/845148083.db2.gz ZLFGSVFSNDBFHS-KYJSFNMBSA-N 1 3 352.523 0.783 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1)N(C)C ZINC001106633949 845209478 /nfs/dbraw/zinc/20/94/78/845209478.db2.gz XRRMDQSMXGUPLZ-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)N(C)C ZINC001106633336 845209576 /nfs/dbraw/zinc/20/95/76/845209576.db2.gz GCPVCUSNYAYVHG-BZUAXINKSA-N 1 3 353.511 0.282 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106664861 845218825 /nfs/dbraw/zinc/21/88/25/845218825.db2.gz AKQBJXBHNQARMK-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106665318 845219405 /nfs/dbraw/zinc/21/94/05/845219405.db2.gz SEDDJCFVTSWMCH-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666855 845220087 /nfs/dbraw/zinc/22/00/87/845220087.db2.gz XELHPKSIEUIFSN-GVDBMIGSSA-N 1 3 352.523 0.785 20 0 FCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668427 845220407 /nfs/dbraw/zinc/22/04/07/845220407.db2.gz KEGXJUZSKLOYEE-HZPDHXFCSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705038 845229235 /nfs/dbraw/zinc/22/92/35/845229235.db2.gz OPCCZKJQUFDAHJ-BFYDXBDKSA-N 1 3 352.479 0.670 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCOCC)[C@H](C)C1 ZINC001106905955 845282912 /nfs/dbraw/zinc/28/29/12/845282912.db2.gz PMESJHZEJLMIRL-HZPDHXFCSA-N 1 3 356.511 0.165 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106908319 845284603 /nfs/dbraw/zinc/28/46/03/845284603.db2.gz WIZSZIZACCBXNS-HUUCEWRRSA-N 1 3 352.479 0.161 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534122 845394453 /nfs/dbraw/zinc/39/44/53/845394453.db2.gz YKXCXSZFINIYRC-DODZYUBVSA-N 1 3 355.523 0.941 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534122 845394456 /nfs/dbraw/zinc/39/44/56/845394456.db2.gz YKXCXSZFINIYRC-DODZYUBVSA-N 1 3 355.523 0.941 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@H](O)COC(C)(C)C)C2)OCC1=O ZINC001276798139 861612927 /nfs/dbraw/zinc/61/29/27/861612927.db2.gz AYKDBNXPTOTROQ-YJBOKZPZSA-N 1 3 357.495 0.027 20 0 FCADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961194 846002639 /nfs/dbraw/zinc/00/26/39/846002639.db2.gz VTALXPKQWQWTBX-TWMKSMIVSA-N 1 3 357.495 0.074 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001112009897 846293977 /nfs/dbraw/zinc/29/39/77/846293977.db2.gz ZFSPSZBGWHEGPS-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001112009897 846293989 /nfs/dbraw/zinc/29/39/89/846293989.db2.gz ZFSPSZBGWHEGPS-BXWFABGCSA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112196656 846455394 /nfs/dbraw/zinc/45/53/94/846455394.db2.gz XFIDYBYUUFVAKE-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112196656 846455401 /nfs/dbraw/zinc/45/54/01/846455401.db2.gz XFIDYBYUUFVAKE-MGPQQGTHSA-N 1 3 369.428 0.705 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1 ZINC001112436998 846504806 /nfs/dbraw/zinc/50/48/06/846504806.db2.gz RPSCRNLYZTXLTL-BXWFABGCSA-N 1 3 355.523 0.942 20 0 FCADHO C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2)C(N)=O ZINC001112506876 846509796 /nfs/dbraw/zinc/50/97/96/846509796.db2.gz JOIHHDBTYRQXCH-VCBZYWHSSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2)C(N)=O ZINC001112530047 846516358 /nfs/dbraw/zinc/51/63/58/846516358.db2.gz AJCHIBOQWHEDJM-DOXZYTNZSA-N 1 3 350.507 0.810 20 0 FCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC001117847291 847183613 /nfs/dbraw/zinc/18/36/13/847183613.db2.gz PGLUJTZOIQQMDR-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001120556238 848240750 /nfs/dbraw/zinc/24/07/50/848240750.db2.gz RWYZUNZGEDLKSB-CVEARBPZSA-N 1 3 352.479 0.404 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1=O ZINC001120602489 848251038 /nfs/dbraw/zinc/25/10/38/848251038.db2.gz HTDZMNFPIZPMBG-IAGOWNOFSA-N 1 3 353.438 0.628 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CC1 ZINC001122009388 848433950 /nfs/dbraw/zinc/43/39/50/848433950.db2.gz NUPOFEORUSSYDV-ZJPYXAASSA-N 1 3 352.523 0.676 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983151 848926333 /nfs/dbraw/zinc/92/63/33/848926333.db2.gz PEKFPCKVVKDXST-CVEARBPZSA-N 1 3 352.483 0.386 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130081547 848941790 /nfs/dbraw/zinc/94/17/90/848941790.db2.gz VBYZZYVHOGUOCR-OLZOCXBDSA-N 1 3 362.400 0.914 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130081547 848941797 /nfs/dbraw/zinc/94/17/97/848941797.db2.gz VBYZZYVHOGUOCR-OLZOCXBDSA-N 1 3 362.400 0.914 20 0 FCADHO CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[n-]1)[NH+](C)C ZINC001130238191 848984284 /nfs/dbraw/zinc/98/42/84/848984284.db2.gz YFFXTGRUTFLUPA-IHRRRGAJSA-N 1 3 352.483 0.632 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001130695304 849027951 /nfs/dbraw/zinc/02/79/51/849027951.db2.gz MGIDGZOXAAOASN-YQQAZPJKSA-N 1 3 351.495 0.681 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)N(C)C ZINC001131558103 849123473 /nfs/dbraw/zinc/12/34/73/849123473.db2.gz HNXMMNDPPQAXRB-KURKYZTESA-N 1 3 355.523 0.941 20 0 FCADHO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001142767443 849460604 /nfs/dbraw/zinc/46/06/04/849460604.db2.gz HXHCPNOLFRLVJA-MRXNPFEDSA-N 1 3 374.551 0.235 20 0 FCADHO O=C(N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157923550 850004463 /nfs/dbraw/zinc/00/44/63/850004463.db2.gz FFCHDQXHZVXSQX-ZMJPVWNMSA-N 1 3 353.360 0.439 20 0 FCADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158027418 850013798 /nfs/dbraw/zinc/01/37/98/850013798.db2.gz FMFAKHHXTNIRMH-NVXWUHKLSA-N 1 3 369.531 0.536 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241002 850027108 /nfs/dbraw/zinc/02/71/08/850027108.db2.gz POSPEOARGVVHBB-QWRGUYRKSA-N 1 3 365.400 0.438 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158248958 850028372 /nfs/dbraw/zinc/02/83/72/850028372.db2.gz KCAHVJYFBLFLLY-GARJFASQSA-N 1 3 350.385 0.514 20 0 FCADHO CC(C)Oc1ncnc2c1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158959417 850086890 /nfs/dbraw/zinc/08/68/90/850086890.db2.gz POMAFYOVYOQJGN-ZDUSSCGKSA-N 1 3 353.492 0.210 20 0 FCADHO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001159625511 850124569 /nfs/dbraw/zinc/12/45/69/850124569.db2.gz XDBYFRBHTWCVMK-JFIYKMOQSA-N 1 3 351.491 0.905 20 0 FCADHO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001159625511 850124574 /nfs/dbraw/zinc/12/45/74/850124574.db2.gz XDBYFRBHTWCVMK-JFIYKMOQSA-N 1 3 351.491 0.905 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159710955 850131239 /nfs/dbraw/zinc/13/12/39/850131239.db2.gz KVHFKKCGMQMZSG-CYBMUJFWSA-N 1 3 365.503 0.664 20 0 FCADHO CS(=O)(=O)N1C[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]2c2ccccc21 ZINC001160201238 850159149 /nfs/dbraw/zinc/15/91/49/850159149.db2.gz DVNFWTCHULRHMN-NWANDNLSSA-N 1 3 366.487 0.074 20 0 FCADHO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160271694 850163670 /nfs/dbraw/zinc/16/36/70/850163670.db2.gz WRVIMYSWFKNZRO-HUUCEWRRSA-N 1 3 354.495 0.176 20 0 FCADHO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160271695 850164075 /nfs/dbraw/zinc/16/40/75/850164075.db2.gz WRVIMYSWFKNZRO-LSDHHAIUSA-N 1 3 354.495 0.176 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160843565 850203093 /nfs/dbraw/zinc/20/30/93/850203093.db2.gz QDKQPPLVBXYQDX-LBPRGKRZSA-N 1 3 360.384 0.600 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161150603 850234632 /nfs/dbraw/zinc/23/46/32/850234632.db2.gz KVZZOIKCHPXGJH-SFYZADRCSA-N 1 3 352.386 0.219 20 0 FCADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001161157945 850236176 /nfs/dbraw/zinc/23/61/76/850236176.db2.gz MEEPTKCOXUFCME-SFHVURJKSA-N 1 3 351.422 0.752 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161529462 850269122 /nfs/dbraw/zinc/26/91/22/850269122.db2.gz DFEWJTHUZYGEGJ-VOAKCMCISA-N 1 3 362.565 0.253 20 0 FCADHO COC(=O)[C@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1c1ccccc1 ZINC001161563404 850271222 /nfs/dbraw/zinc/27/12/22/850271222.db2.gz BRBAQBKVOCCYGM-KKUMJFAQSA-N 1 3 351.472 0.768 20 0 FCADHO CN1CCN(C(=[NH2+])Nc2nc(Cl)cc([C@@H]3CCC(=O)NC3)n2)CC1 ZINC001168735322 850591424 /nfs/dbraw/zinc/59/14/24/850591424.db2.gz OCQMEOABXFSWCL-SNVBAGLBSA-N 1 3 351.842 0.718 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCC3CCC3)[C@@H]2C)CC[N@@H+]1C ZINC001178731158 850921237 /nfs/dbraw/zinc/92/12/37/850921237.db2.gz NCYKFDMBUDUZCA-WTTBNOFXSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCC3CCC3)[C@@H]2C)CC[N@H+]1C ZINC001178731158 850921248 /nfs/dbraw/zinc/92/12/48/850921248.db2.gz NCYKFDMBUDUZCA-WTTBNOFXSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCOCCOC)C[C@H]32)CC[N@@H+]1C ZINC001187971550 851632667 /nfs/dbraw/zinc/63/26/67/851632667.db2.gz PPWWCFCPSIOWQP-WNRNVDISSA-N 1 3 353.507 0.912 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCOCCOC)C[C@H]32)CC[N@H+]1C ZINC001187971550 851632673 /nfs/dbraw/zinc/63/26/73/851632673.db2.gz PPWWCFCPSIOWQP-WNRNVDISSA-N 1 3 353.507 0.912 20 0 FCADHO COCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001190222052 851879100 /nfs/dbraw/zinc/87/91/00/851879100.db2.gz YIHLUEBTZWTHQF-KURKYZTESA-N 1 3 353.507 0.912 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)CCCCC1 ZINC001194960668 852679801 /nfs/dbraw/zinc/67/98/01/852679801.db2.gz BVICPYYEORPQJU-GVDBMIGSSA-N 1 3 353.507 0.696 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)[NH+](C)C ZINC001195981074 852860249 /nfs/dbraw/zinc/86/02/49/852860249.db2.gz NUJQVKYMWXWQNB-KZNAEPCWSA-N 1 3 355.523 0.941 20 0 FCADHO CC[NH+](CC)CCCNC(=S)N1CCC(=O)N(CCN(C)C)CC1 ZINC001196675127 852994944 /nfs/dbraw/zinc/99/49/44/852994944.db2.gz GUVCVUIFLZROMX-UHFFFAOYSA-N 1 3 357.568 0.689 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198028446 853207160 /nfs/dbraw/zinc/20/71/60/853207160.db2.gz ABSKJIWOYDXLFP-KZNAEPCWSA-N 1 3 355.523 0.821 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198028446 853207164 /nfs/dbraw/zinc/20/71/64/853207164.db2.gz ABSKJIWOYDXLFP-KZNAEPCWSA-N 1 3 355.523 0.821 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001199017414 853355229 /nfs/dbraw/zinc/35/52/29/853355229.db2.gz GODAFMGVUALMJN-RCCFBDPRSA-N 1 3 353.507 0.840 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205519462 853620436 /nfs/dbraw/zinc/62/04/36/853620436.db2.gz OOBQSVLDXDWTCL-IXDOHACOSA-N 1 3 353.507 0.647 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494237 853942467 /nfs/dbraw/zinc/94/24/67/853942467.db2.gz MDTANOIRHPFXAK-FRRDWIJNSA-N 1 3 355.401 0.314 20 0 FCADHO CN(C)C(=O)COC[C@]12COC[C@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC001209451677 854028183 /nfs/dbraw/zinc/02/81/83/854028183.db2.gz NOPPJMDYRGTHOM-MJGOQNOKSA-N 1 3 353.507 0.916 20 0 FCADHO C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330243 854102024 /nfs/dbraw/zinc/10/20/24/854102024.db2.gz TXVQMRXSPGPVGL-IXDOHACOSA-N 1 3 351.491 0.714 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1C ZINC001210484760 854114299 /nfs/dbraw/zinc/11/42/99/854114299.db2.gz BTWBKCXYWWUGML-IXDOHACOSA-N 1 3 359.511 0.179 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1C ZINC001210484760 854114304 /nfs/dbraw/zinc/11/43/04/854114304.db2.gz BTWBKCXYWWUGML-IXDOHACOSA-N 1 3 359.511 0.179 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293364 854430471 /nfs/dbraw/zinc/43/04/71/854430471.db2.gz IRRZJACHORHFMF-RCCFBDPRSA-N 1 3 353.507 0.960 20 0 FCADHO COCCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455491 854623690 /nfs/dbraw/zinc/62/36/90/854623690.db2.gz DNQUOFDZRZKNRB-GVDBMIGSSA-N 1 3 357.495 0.339 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CC1 ZINC001213728768 854739793 /nfs/dbraw/zinc/73/97/93/854739793.db2.gz RZZDDTGLJOGSHD-BRWVUGGUSA-N 1 3 351.491 0.713 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214847387 855022139 /nfs/dbraw/zinc/02/21/39/855022139.db2.gz CVXLMGUCXCCMAM-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001214855803 855023249 /nfs/dbraw/zinc/02/32/49/855023249.db2.gz OCMYKIUCECWXMC-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001214855803 855023260 /nfs/dbraw/zinc/02/32/60/855023260.db2.gz OCMYKIUCECWXMC-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948073 855038888 /nfs/dbraw/zinc/03/88/88/855038888.db2.gz KEAWEIAFUCTCEL-HZPDHXFCSA-N 1 3 350.507 0.825 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215380799 855106323 /nfs/dbraw/zinc/10/63/23/855106323.db2.gz AGGPRBOHLYRITH-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001215380799 855106332 /nfs/dbraw/zinc/10/63/32/855106332.db2.gz AGGPRBOHLYRITH-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215536884 855125903 /nfs/dbraw/zinc/12/59/03/855125903.db2.gz XXUNXXPZGGPUNT-OWCLPIDISA-N 1 3 371.547 0.732 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215539916 855126145 /nfs/dbraw/zinc/12/61/45/855126145.db2.gz CLHAHCWXQPRQBH-LBTNJELSSA-N 1 3 356.486 0.772 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1)N(C)C ZINC001215571350 855129085 /nfs/dbraw/zinc/12/90/85/855129085.db2.gz LSNBIKUQDDXFBZ-KFWWJZLASA-N 1 3 359.536 0.588 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001215598456 855131664 /nfs/dbraw/zinc/13/16/64/855131664.db2.gz BGFSCECRCRFNPT-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCS(=O)(=O)CCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215681012 855135739 /nfs/dbraw/zinc/13/57/39/855135739.db2.gz PNGGMVZPGCQITJ-GDBMZVCRSA-N 1 3 370.519 0.994 20 0 FCADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215778611 855144702 /nfs/dbraw/zinc/14/47/02/855144702.db2.gz UUOQKUGMUQMRHL-RHSMWYFYSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215774214 855144731 /nfs/dbraw/zinc/14/47/31/855144731.db2.gz LLKBGSFUDAZGHA-OIISXLGYSA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215774214 855144733 /nfs/dbraw/zinc/14/47/33/855144733.db2.gz LLKBGSFUDAZGHA-OIISXLGYSA-N 1 3 350.507 0.964 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC(F)(F)F)C1 ZINC001216226571 855182147 /nfs/dbraw/zinc/18/21/47/855182147.db2.gz XQTDWBBDAVCRHB-CHWSQXEVSA-N 1 3 366.428 0.785 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC(F)(F)F)C1 ZINC001216226571 855182148 /nfs/dbraw/zinc/18/21/48/855182148.db2.gz XQTDWBBDAVCRHB-CHWSQXEVSA-N 1 3 366.428 0.785 20 0 FCADHO CCC(C)(C)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405244 855199517 /nfs/dbraw/zinc/19/95/17/855199517.db2.gz IYZDRCJJKFWHAI-HUUCEWRRSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001216754385 855232503 /nfs/dbraw/zinc/23/25/03/855232503.db2.gz RWQTYQNJZFVWBN-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCCC(C)(C)C ZINC001216754385 855232512 /nfs/dbraw/zinc/23/25/12/855232512.db2.gz RWQTYQNJZFVWBN-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001216844481 855257030 /nfs/dbraw/zinc/25/70/30/855257030.db2.gz COQIOZVETFJRCT-BZUAXINKSA-N 1 3 359.536 0.732 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218183812 855405359 /nfs/dbraw/zinc/40/53/59/855405359.db2.gz DMVSHZZZFORUBB-URLYPYJESA-N 1 3 350.419 0.423 20 0 FCADHO Nc1ccc(I)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218505393 855431169 /nfs/dbraw/zinc/43/11/69/855431169.db2.gz FFZJORUMCNYTFV-SSDOTTSWSA-N 1 3 373.198 0.016 20 0 FCADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Br)ccc1O ZINC001218513219 855432459 /nfs/dbraw/zinc/43/24/59/855432459.db2.gz FBQUOXTXHBWIRH-VIFPVBQESA-N 1 3 358.240 0.239 20 0 FCADHO N[C@@H](C(=O)Nc1nnc2c[nH]cc(Br)c1-2)C1CC[NH2+]CC1 ZINC001218610141 855449495 /nfs/dbraw/zinc/44/94/95/855449495.db2.gz FYUZQJFSHFFWRQ-LLVKDONJSA-N 1 3 353.224 0.986 20 0 FCADHO O=C(Nc1nnc2c[nH]cc(Br)c1-2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218610604 855449532 /nfs/dbraw/zinc/44/95/32/855449532.db2.gz KIXLMMSHLSMLME-XLKFXECMSA-N 1 3 365.235 0.858 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(I)c2nccn2c1 ZINC001218677752 855462698 /nfs/dbraw/zinc/46/26/98/855462698.db2.gz RHHNRQLPHGVONW-JTQLQIEISA-N 1 3 373.198 0.944 20 0 FCADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncc(O)cc1Br ZINC001218701947 855466259 /nfs/dbraw/zinc/46/62/59/855466259.db2.gz LEUZSFLIWXLYFH-LLVKDONJSA-N 1 3 358.240 0.239 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cn(CCF)cn1 ZINC001218743972 855473076 /nfs/dbraw/zinc/47/30/76/855473076.db2.gz QFQUYDLREWKZJR-STQMWFEESA-N 1 3 354.430 0.238 20 0 FCADHO COC(=O)c1nc(Br)sc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218779222 855478444 /nfs/dbraw/zinc/47/84/44/855478444.db2.gz WYGXEOGXXFESIQ-RXMQYKEDSA-N 1 3 351.226 0.697 20 0 FCADHO COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001219169725 855571106 /nfs/dbraw/zinc/57/11/06/855571106.db2.gz IXCXMZNFLYOUMF-AWEZNQCLSA-N 1 3 350.419 0.315 20 0 FCADHO O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001219565603 855716542 /nfs/dbraw/zinc/71/65/42/855716542.db2.gz KRCRZKJCWOCVPO-GFCCVEGCSA-N 1 3 350.854 0.024 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccc(S(C)(=O)=O)cn1 ZINC001219716308 855783645 /nfs/dbraw/zinc/78/36/45/855783645.db2.gz JMSLLFJGMQRGHP-HNNXBMFYSA-N 1 3 356.492 0.597 20 0 FCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220024803 855924446 /nfs/dbraw/zinc/92/44/46/855924446.db2.gz BZLCEUKSYVHWEX-VHSXEESVSA-N 1 3 354.476 0.934 20 0 FCADHO CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001220218683 856016678 /nfs/dbraw/zinc/01/66/78/856016678.db2.gz BNEFSJPQOQEYJH-KKUMJFAQSA-N 1 3 354.495 0.508 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)nn1 ZINC001220368934 856087122 /nfs/dbraw/zinc/08/71/22/856087122.db2.gz PMIIWAXJVQSTGV-STQMWFEESA-N 1 3 368.869 0.194 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)CC1 ZINC001220642681 856217040 /nfs/dbraw/zinc/21/70/40/856217040.db2.gz IIJHKAGNPBAILY-MSOLQXFVSA-N 1 3 353.507 0.839 20 0 FCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898277 856363586 /nfs/dbraw/zinc/36/35/86/856363586.db2.gz DPDCDORMUSJMEM-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001220923317 856376865 /nfs/dbraw/zinc/37/68/65/856376865.db2.gz DXYLUSYKSJXNLA-MRXNPFEDSA-N 1 3 350.438 0.860 20 0 FCADHO COc1cccc(C2(NC(=O)[C@@H](N)CC[S@@](C)=O)CC[NH2+]CC2)c1 ZINC001221095535 856461400 /nfs/dbraw/zinc/46/14/00/856461400.db2.gz AGCNDDMHCLYWKZ-IZHWHUGBSA-N 1 3 353.488 0.486 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222809436 856874889 /nfs/dbraw/zinc/87/48/89/856874889.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 1 3 353.507 0.793 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222809436 856874895 /nfs/dbraw/zinc/87/48/95/856874895.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 1 3 353.507 0.793 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222809436 856874901 /nfs/dbraw/zinc/87/49/01/856874901.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 1 3 353.507 0.793 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222809436 856874909 /nfs/dbraw/zinc/87/49/09/856874909.db2.gz CTANTHYUDJTAGH-KURKYZTESA-N 1 3 353.507 0.793 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228647700 857221345 /nfs/dbraw/zinc/22/13/45/857221345.db2.gz WXZVOBPIZBTIRN-OAGGEKHMSA-N 1 3 356.511 0.496 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)C1 ZINC001229692052 857282037 /nfs/dbraw/zinc/28/20/37/857282037.db2.gz DEDPXSATQBJCEJ-BRWVUGGUSA-N 1 3 350.507 0.871 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC2CC2)C1 ZINC001229692052 857282044 /nfs/dbraw/zinc/28/20/44/857282044.db2.gz DEDPXSATQBJCEJ-BRWVUGGUSA-N 1 3 350.507 0.871 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001229746402 857285326 /nfs/dbraw/zinc/28/53/26/857285326.db2.gz MXWZRYCCESNBBJ-KFWWJZLASA-N 1 3 352.479 0.493 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229868827 857290086 /nfs/dbraw/zinc/29/00/86/857290086.db2.gz PPOQYZYPRPRJRB-IAGOWNOFSA-N 1 3 356.511 0.498 20 0 FCADHO COC(=O)c1cncc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238242190 857465365 /nfs/dbraw/zinc/46/53/65/857465365.db2.gz NIVQBVHVCLZZPQ-ZDUSSCGKSA-N 1 3 368.459 0.021 20 0 FCADHO COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244210 857466027 /nfs/dbraw/zinc/46/60/27/857466027.db2.gz XXDPHVOOVAMJHK-LLVKDONJSA-N 1 3 373.500 0.687 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1F ZINC001238243958 857466218 /nfs/dbraw/zinc/46/62/18/857466218.db2.gz XBCLWCJNTCUATH-GFCCVEGCSA-N 1 3 357.451 0.987 20 0 FCADHO COc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cc1F ZINC001238243958 857466220 /nfs/dbraw/zinc/46/62/20/857466220.db2.gz XBCLWCJNTCUATH-GFCCVEGCSA-N 1 3 357.451 0.987 20 0 FCADHO O=S(=O)([C@@H]1CC[NH2+]C1)N1CCCn2cnc(CNC3CCCC3)c2C1 ZINC001239082796 857510471 /nfs/dbraw/zinc/51/04/71/857510471.db2.gz OBYIYAWUVYDNHP-OAHLLOKOSA-N 1 3 367.519 0.813 20 0 FCADHO CCOC(=O)C1CCC(O)(CN2CC[NH2+]C[C@]3(CCCCN3)C2)CC1 ZINC001246022795 857564376 /nfs/dbraw/zinc/56/43/76/857564376.db2.gz BMVFAIUPLGUAQM-CUYAVPTFSA-N 1 3 353.507 0.888 20 0 FCADHO CCOC(=O)[C@@]12CN([C@H]3CC[C@@H](C(=O)OC)NC3)C[C@@H]1C[NH2+]CCC2 ZINC001246599132 857586286 /nfs/dbraw/zinc/58/62/86/857586286.db2.gz ATXDEDMYQNHCIK-XSWJXKHESA-N 1 3 353.463 0.145 20 0 FCADHO C[C@@H]1C[C@H](N2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246700548 857592751 /nfs/dbraw/zinc/59/27/51/857592751.db2.gz GYBYYHGOGWDTHS-RXYDEIHYSA-N 1 3 351.491 0.998 20 0 FCADHO O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCCNC2)O1)N1CCCC1 ZINC001246729233 857594113 /nfs/dbraw/zinc/59/41/13/857594113.db2.gz JQIYKWLSKBKFJH-BSDSXHPESA-N 1 3 351.491 0.999 20 0 FCADHO O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCCNC2)O1)N1CCCC1 ZINC001246729233 857594117 /nfs/dbraw/zinc/59/41/17/857594117.db2.gz JQIYKWLSKBKFJH-BSDSXHPESA-N 1 3 351.491 0.999 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CCN(C(=S)NCC[NH+](C)C)CC2 ZINC001249834489 857651243 /nfs/dbraw/zinc/65/12/43/857651243.db2.gz MEFAVRLTRAHANZ-UHFFFAOYSA-N 1 3 365.547 0.247 20 0 FCADHO CC(C)N1CCN(CC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)CC1 ZINC001251627304 857736553 /nfs/dbraw/zinc/73/65/53/857736553.db2.gz MSTTXFRXHZRQJI-ZDUSSCGKSA-N 1 3 359.408 0.880 20 0 FCADHO CCOC(=O)CN1CCC(N2CCC([NH3+])(CC(=O)OCC)CC2)CC1 ZINC001254402390 857969198 /nfs/dbraw/zinc/96/91/98/857969198.db2.gz UDXZVGRHANCBRT-UHFFFAOYSA-N 1 3 355.479 0.760 20 0 FCADHO CCOC(=O)CN1CCC([NH+]2CCC(N)(CC(=O)OCC)CC2)CC1 ZINC001254402390 857969207 /nfs/dbraw/zinc/96/92/07/857969207.db2.gz UDXZVGRHANCBRT-UHFFFAOYSA-N 1 3 355.479 0.760 20 0 FCADHO CN1CCC[C@@H]([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001254513355 857976328 /nfs/dbraw/zinc/97/63/28/857976328.db2.gz XAZGOSWBDUUNDU-MRXNPFEDSA-N 1 3 352.504 0.890 20 0 FCADHO Cn1cnc(S(=O)(=O)N2CCC3(CN(CC4CC[NH2+]CC4)C3)C2)c1 ZINC001279615198 862980553 /nfs/dbraw/zinc/98/05/53/862980553.db2.gz NMSAEENYYMMWSU-UHFFFAOYSA-N 1 3 353.492 0.116 20 0 FCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)N(CCC[NH3+])CCCN(C)C ZINC001257924115 858165898 /nfs/dbraw/zinc/16/58/98/858165898.db2.gz UAWWHLASILXALM-HNNXBMFYSA-N 1 3 365.540 0.345 20 0 FCADHO Cn1c(C2CC[NH+](CCO)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001262888599 859062864 /nfs/dbraw/zinc/06/28/64/859062864.db2.gz ZBJZOMXNIOUVSQ-UHFFFAOYSA-N 1 3 350.511 0.907 20 0 FCADHO CCN(CC)CC(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001270357260 859732425 /nfs/dbraw/zinc/73/24/25/859732425.db2.gz BAVBFHJMJSQAOM-GOSISDBHSA-N 1 3 352.479 0.258 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)N1CCCC1 ZINC001273500743 860510032 /nfs/dbraw/zinc/51/00/32/860510032.db2.gz HMHYCJHWZVMTFX-HKUYNNGSSA-N 1 3 352.523 0.726 20 0 FCADHO CC(C)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)CC1 ZINC001273848446 860617275 /nfs/dbraw/zinc/61/72/75/860617275.db2.gz QVKZUUHYBWKFNX-ROUUACIJSA-N 1 3 351.539 0.249 20 0 FCADHO CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275097211 860932190 /nfs/dbraw/zinc/93/21/90/860932190.db2.gz ARWYWRUUUPORMG-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275097211 860932203 /nfs/dbraw/zinc/93/22/03/860932203.db2.gz ARWYWRUUUPORMG-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286682 861011661 /nfs/dbraw/zinc/01/16/61/861011661.db2.gz BCVOFAZRTVWLJI-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCN3CCOCC3)CC2)C1=O ZINC001275286682 861011672 /nfs/dbraw/zinc/01/16/72/861011672.db2.gz BCVOFAZRTVWLJI-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC001279914693 863133642 /nfs/dbraw/zinc/13/36/42/863133642.db2.gz UWLDZPBLDWYEMJ-ALXJQNPVSA-N 1 3 352.523 0.833 20 0 FCADHO COCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280094910 863261591 /nfs/dbraw/zinc/26/15/91/863261591.db2.gz CBWUFPGJIDWZRO-MLHJIOFPSA-N 1 3 353.507 0.789 20 0 FCADHO COCCN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@H]1CCCN(C)C1)C2 ZINC001280259754 863367418 /nfs/dbraw/zinc/36/74/18/863367418.db2.gz ZVUGTIDENBMQGU-IRXDYDNUSA-N 1 3 353.507 0.772 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OC ZINC001281848909 863820052 /nfs/dbraw/zinc/82/00/52/863820052.db2.gz YAFCZVKBSHIYJY-BFYDXBDKSA-N 1 3 356.511 0.256 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001289535515 865123505 /nfs/dbraw/zinc/12/35/05/865123505.db2.gz IAHZVOIFWRVMBC-HZPDHXFCSA-N 1 3 354.495 0.155 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]2C1)N(C)C ZINC001290540452 865443959 /nfs/dbraw/zinc/44/39/59/865443959.db2.gz WIPGGBQKVMYQHZ-IKGGRYGDSA-N 1 3 352.523 0.975 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1)N(C)C ZINC001290540452 865443962 /nfs/dbraw/zinc/44/39/62/865443962.db2.gz WIPGGBQKVMYQHZ-IKGGRYGDSA-N 1 3 352.523 0.975 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001350033021 866494948 /nfs/dbraw/zinc/49/49/48/866494948.db2.gz UPVBYTUTGJCUDV-KGLIPLIRSA-N 1 3 354.495 0.378 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)C1 ZINC001316596995 867361475 /nfs/dbraw/zinc/36/14/75/867361475.db2.gz SCVCFHJTKFWDNC-JHJVBQTASA-N 1 3 366.428 0.832 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325398557 869876035 /nfs/dbraw/zinc/87/60/35/869876035.db2.gz BATVBLPYZDKXON-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)NCCN1CCC(C)CC1)CC[NH2+]CC2 ZINC001325862026 870066484 /nfs/dbraw/zinc/06/64/84/870066484.db2.gz FXZRSEMZQDAQHO-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCNS(C)(=O)=O)CC2)CC1 ZINC001327619859 870975248 /nfs/dbraw/zinc/97/52/48/870975248.db2.gz WQURIBTXKBWYMR-UHFFFAOYSA-N 1 3 374.551 0.190 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001345184272 871217014 /nfs/dbraw/zinc/21/70/14/871217014.db2.gz HEKKEXYZRQYSBH-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CC(C)CO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001328387268 871402276 /nfs/dbraw/zinc/40/22/76/871402276.db2.gz VRFQGMBTXHFJNM-INIZCTEOSA-N 1 3 356.511 0.212 20 0 FCADHO CC(=O)N1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001328495299 871462719 /nfs/dbraw/zinc/46/27/19/871462719.db2.gz VHYYCAOBBAEOHX-MRXNPFEDSA-N 1 3 351.495 0.465 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001346265014 871737669 /nfs/dbraw/zinc/73/76/69/871737669.db2.gz RTZNBFVSMILSBK-CVEARBPZSA-N 1 3 353.511 0.761 20 0 FCADHO COCC(C)(C)N1CCN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001348664102 872756137 /nfs/dbraw/zinc/75/61/37/872756137.db2.gz LSONFUUICSWWDB-INIZCTEOSA-N 1 3 355.527 0.375 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331222576 873018242 /nfs/dbraw/zinc/01/82/42/873018242.db2.gz XGKUYXNWEKDHQK-OTVXOJSOSA-N 1 3 350.438 0.569 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)N1CCCCC1 ZINC001331469497 873116839 /nfs/dbraw/zinc/11/68/39/873116839.db2.gz HHLYOPHDTVOSBZ-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713104 949592639 /nfs/dbraw/zinc/59/26/39/949592639.db2.gz VYDRWWMHNCWHNE-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713104 949592653 /nfs/dbraw/zinc/59/26/53/949592653.db2.gz VYDRWWMHNCWHNE-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713104 949592674 /nfs/dbraw/zinc/59/26/74/949592674.db2.gz VYDRWWMHNCWHNE-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713104 949592692 /nfs/dbraw/zinc/59/26/92/949592692.db2.gz VYDRWWMHNCWHNE-CJNGLKHVSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575908402 950362732 /nfs/dbraw/zinc/36/27/32/950362732.db2.gz BWEMONMVOPDADP-CZUORRHYSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908402 950362753 /nfs/dbraw/zinc/36/27/53/950362753.db2.gz BWEMONMVOPDADP-CZUORRHYSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575908404 950366058 /nfs/dbraw/zinc/36/60/58/950366058.db2.gz BWEMONMVOPDADP-XJKSGUPXSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908404 950366082 /nfs/dbraw/zinc/36/60/82/950366082.db2.gz BWEMONMVOPDADP-XJKSGUPXSA-N 1 3 357.462 0.897 20 0 FCADHO CN(C)C/C=C/C(=O)Nc1nc(CNC(=O)/C=C/C[NH+](C)C)cs1 ZINC000265667773 210192695 /nfs/dbraw/zinc/19/26/95/210192695.db2.gz GNGXDSYRDGQVEY-KQQUZDAGSA-N 1 3 351.476 0.933 20 0 FCADHO CN(C)C/C=C/C(=O)NCc1csc(NC(=O)/C=C/C[NH+](C)C)n1 ZINC000265667773 210192699 /nfs/dbraw/zinc/19/26/99/210192699.db2.gz GNGXDSYRDGQVEY-KQQUZDAGSA-N 1 3 351.476 0.933 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331466915 215001455 /nfs/dbraw/zinc/00/14/55/215001455.db2.gz VKKBATPNCCWSRO-DRRXZNNHSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000332156682 215103358 /nfs/dbraw/zinc/10/33/58/215103358.db2.gz ONTXAVCTFFVVQK-GPMSIDNRSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000332156684 215103655 /nfs/dbraw/zinc/10/36/55/215103655.db2.gz ONTXAVCTFFVVQK-JTDSTZFVSA-N 1 3 350.507 0.920 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000333258748 215255549 /nfs/dbraw/zinc/25/55/49/215255549.db2.gz DOSBWVNNXMWMDM-GDBMZVCRSA-N 1 3 359.478 0.834 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cnc(N4CCNCC4)nc3)CC[C@H]21 ZINC000333258748 215255552 /nfs/dbraw/zinc/25/55/52/215255552.db2.gz DOSBWVNNXMWMDM-GDBMZVCRSA-N 1 3 359.478 0.834 20 0 FCADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333279526 215258147 /nfs/dbraw/zinc/25/81/47/215258147.db2.gz HIYJZYLFBVUSEY-ZBFHGGJFSA-N 1 3 359.478 0.977 20 0 FCADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333298080 215260452 /nfs/dbraw/zinc/26/04/52/215260452.db2.gz KANAQZPUBDYWJV-HOCLYGCPSA-N 1 3 359.478 0.977 20 0 FCADHO COCCN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333714747 215312427 /nfs/dbraw/zinc/31/24/27/215312427.db2.gz SVRZWFKRSPJFHC-WWDZGPRUSA-N 1 3 367.538 0.565 20 0 FCADHO CC(C)N1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC1 ZINC000333873299 215327490 /nfs/dbraw/zinc/32/74/90/215327490.db2.gz UWZRHKAALZKPMF-AEFFLSMTSA-N 1 3 365.522 0.759 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000333855635 215325226 /nfs/dbraw/zinc/32/52/26/215325226.db2.gz QVWONLPGBIOODP-DLBZAZTESA-N 1 3 365.522 0.842 20 0 FCADHO C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C[C@H]1[NH+](C)C ZINC000334128385 215347316 /nfs/dbraw/zinc/34/73/16/215347316.db2.gz RHZYCDJRHKATRP-IAGOWNOFSA-N 1 3 367.538 0.375 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000283940927 213039439 /nfs/dbraw/zinc/03/94/39/213039439.db2.gz FYRWLESGXCJQNA-UHFFFAOYSA-N 1 3 350.463 0.263 20 0 FCADHO COC[C@@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312013 212713186 /nfs/dbraw/zinc/71/31/86/212713186.db2.gz ZEMLLRYZVDLHRT-GOEBONIOSA-N 1 3 373.519 0.575 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000246479922 209389766 /nfs/dbraw/zinc/38/97/66/209389766.db2.gz RMJQXJFLIUROLR-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000246479922 209389772 /nfs/dbraw/zinc/38/97/72/209389772.db2.gz RMJQXJFLIUROLR-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)CCn1c2cc(NC(=O)CNC[C@@H]3CCCO3)ccc2oc1=O ZINC000236990118 209346055 /nfs/dbraw/zinc/34/60/55/209346055.db2.gz WNHUUQPGRJXMGM-AWEZNQCLSA-N 1 3 362.430 0.863 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236841105 209343869 /nfs/dbraw/zinc/34/38/69/209343869.db2.gz BAXIEBSMYHYHPV-ALOPSCKCSA-N 1 3 350.507 0.920 20 0 FCADHO COCCN(C)CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192167485 209297454 /nfs/dbraw/zinc/29/74/54/209297454.db2.gz RHIXKJKHRXNNCR-UHFFFAOYSA-N 1 3 355.527 0.234 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368992163 216330470 /nfs/dbraw/zinc/33/04/70/216330470.db2.gz MDGITJPZOZXKGZ-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368992163 216330473 /nfs/dbraw/zinc/33/04/73/216330473.db2.gz MDGITJPZOZXKGZ-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO COC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000187492572 209212940 /nfs/dbraw/zinc/21/29/40/209212940.db2.gz KUWRERRRCKKFKT-CRAIPNDOSA-N 1 3 368.522 0.990 20 0 FCADHO COC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000187492622 209212318 /nfs/dbraw/zinc/21/23/18/209212318.db2.gz KUWRERRRCKKFKT-YJBOKZPZSA-N 1 3 368.522 0.990 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000414914367 245333160 /nfs/dbraw/zinc/33/31/60/245333160.db2.gz KOHYWJBCEKLUFU-KRWDZBQOSA-N 1 3 350.488 0.898 20 0 FCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414942744 245337460 /nfs/dbraw/zinc/33/74/60/245337460.db2.gz MWWIHBLBCAWTGO-QGZVFWFLSA-N 1 3 362.474 0.744 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000415273750 245374319 /nfs/dbraw/zinc/37/43/19/245374319.db2.gz SNRLZTXYFOMHHM-KRWDZBQOSA-N 1 3 373.501 0.712 20 0 FCADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415325374 245385991 /nfs/dbraw/zinc/38/59/91/245385991.db2.gz INUGZPNRONXBRE-MRXNPFEDSA-N 1 3 360.458 0.968 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415357568 245397049 /nfs/dbraw/zinc/39/70/49/245397049.db2.gz SGDBWYKRZWRENL-HNNXBMFYSA-N 1 3 362.499 0.776 20 0 FCADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000374917405 217189746 /nfs/dbraw/zinc/18/97/46/217189746.db2.gz UTTLJMDBAULPTD-MSOLQXFVSA-N 1 3 351.539 0.108 20 0 FCADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000374917405 217189748 /nfs/dbraw/zinc/18/97/48/217189748.db2.gz UTTLJMDBAULPTD-MSOLQXFVSA-N 1 3 351.539 0.108 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(C)CC1 ZINC000419162922 246025433 /nfs/dbraw/zinc/02/54/33/246025433.db2.gz VQEOOQRBVRSDOE-WCXIOVBPSA-N 1 3 350.507 0.727 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000419138060 246011916 /nfs/dbraw/zinc/01/19/16/246011916.db2.gz RYKBSYCCMASJQJ-UHFFFAOYSA-N 1 3 352.504 0.754 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419144334 246013815 /nfs/dbraw/zinc/01/38/15/246013815.db2.gz GRXIIPUANJIJBN-CABCVRRESA-N 1 3 364.515 0.945 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419163860 246027400 /nfs/dbraw/zinc/02/74/00/246027400.db2.gz KWJRZIOVKJCPBD-QGZVFWFLSA-N 1 3 362.474 0.072 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419194719 246046424 /nfs/dbraw/zinc/04/64/24/246046424.db2.gz TXGPLXAFBFNNPS-GOSISDBHSA-N 1 3 358.486 0.944 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419170574 246033170 /nfs/dbraw/zinc/03/31/70/246033170.db2.gz NWIZKTUCAFQYAG-GVDBMIGSSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419214965 246058822 /nfs/dbraw/zinc/05/88/22/246058822.db2.gz NITLZYYVFLOZNH-SJORKVTESA-N 1 3 374.485 0.311 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419216360 246058919 /nfs/dbraw/zinc/05/89/19/246058919.db2.gz PCSHRYMHQUDYFC-INIZCTEOSA-N 1 3 362.474 0.454 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419223464 246061037 /nfs/dbraw/zinc/06/10/37/246061037.db2.gz DAMBXHVHIMUISW-CGTJXYLNSA-N 1 3 358.486 0.881 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000419219152 246063056 /nfs/dbraw/zinc/06/30/56/246063056.db2.gz SSYGGTWIRSKEIE-WBVHZDCISA-N 1 3 360.458 0.064 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419225188 246063619 /nfs/dbraw/zinc/06/36/19/246063619.db2.gz GRWNGDICVXLCKE-BPQIPLTHSA-N 1 3 358.486 0.881 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419225460 246064496 /nfs/dbraw/zinc/06/44/96/246064496.db2.gz HBQNBHJRRBVQDW-NJAFHUGGSA-N 1 3 358.486 0.963 20 0 FCADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419229637 246066814 /nfs/dbraw/zinc/06/68/14/246066814.db2.gz PBMDQZBLCDRWJR-WBVHZDCISA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000419201812 246050758 /nfs/dbraw/zinc/05/07/58/246050758.db2.gz GNWHILYZNCMGIJ-HOTGVXAUSA-N 1 3 362.474 0.629 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419233883 246071071 /nfs/dbraw/zinc/07/10/71/246071071.db2.gz WVPZNORLGKCKKC-UAGQMJEPSA-N 1 3 350.507 0.871 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419240223 246074286 /nfs/dbraw/zinc/07/42/86/246074286.db2.gz QYSONUHJHDJJMT-ZFWWWQNUSA-N 1 3 354.495 0.596 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000419338465 246102735 /nfs/dbraw/zinc/10/27/35/246102735.db2.gz CAIAVRUVKNDURJ-GOSISDBHSA-N 1 3 360.502 0.924 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CCC(C)CC1 ZINC000419375435 246122117 /nfs/dbraw/zinc/12/21/17/246122117.db2.gz RMRJIRCKSKNEAJ-BRWVUGGUSA-N 1 3 352.523 0.973 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373043 246122339 /nfs/dbraw/zinc/12/23/39/246122339.db2.gz MAJMHAMATVGDJE-ZWKOTPCHSA-N 1 3 372.513 0.836 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377696 246124295 /nfs/dbraw/zinc/12/42/95/246124295.db2.gz UGOACRBWQGADHO-PBHICJAKSA-N 1 3 358.486 0.459 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000419377752 246125348 /nfs/dbraw/zinc/12/53/48/246125348.db2.gz UOGNDPPBBUWHPD-SFHVURJKSA-N 1 3 372.513 0.836 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419380046 246125782 /nfs/dbraw/zinc/12/57/82/246125782.db2.gz WXCNUQSWPFRBKT-KRWDZBQOSA-N 1 3 358.486 0.412 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381547 246125790 /nfs/dbraw/zinc/12/57/90/246125790.db2.gz YIUKBCPZELHTEA-IRXDYDNUSA-N 1 3 358.486 0.588 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389430 246130682 /nfs/dbraw/zinc/13/06/82/246130682.db2.gz HOSUERYUTYJNAT-ZWKOTPCHSA-N 1 3 360.502 0.863 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000419402595 246137681 /nfs/dbraw/zinc/13/76/81/246137681.db2.gz CIAKFBKBVRUWPA-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419423953 246157007 /nfs/dbraw/zinc/15/70/07/246157007.db2.gz NSFVWOFOOJJJII-GOSISDBHSA-N 1 3 374.485 0.046 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419530362 246193253 /nfs/dbraw/zinc/19/32/53/246193253.db2.gz ZCAQLUFECJGZSH-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419504114 246183848 /nfs/dbraw/zinc/18/38/48/246183848.db2.gz FXVHGPNBWINWOS-ROUUACIJSA-N 1 3 358.486 0.965 20 0 FCADHO NC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419504114 246183851 /nfs/dbraw/zinc/18/38/51/246183851.db2.gz FXVHGPNBWINWOS-ROUUACIJSA-N 1 3 358.486 0.965 20 0 FCADHO COCCN(C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528321 246192793 /nfs/dbraw/zinc/19/27/93/246192793.db2.gz CAMNZOGAIXQJNE-IAGOWNOFSA-N 1 3 362.474 0.290 20 0 FCADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccccc1 ZINC000419652920 246232014 /nfs/dbraw/zinc/23/20/14/246232014.db2.gz QHNGMWJUHWSMMZ-AWEZNQCLSA-N 1 3 350.463 0.012 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419660961 246235841 /nfs/dbraw/zinc/23/58/41/246235841.db2.gz DIWCPANEGMVNDK-ZIAGYGMSSA-N 1 3 354.495 0.454 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000419664649 246238208 /nfs/dbraw/zinc/23/82/08/246238208.db2.gz MMVMLYKUQFKZOD-HZPDHXFCSA-N 1 3 359.474 0.800 20 0 FCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419678424 246243370 /nfs/dbraw/zinc/24/33/70/246243370.db2.gz DQUBGSTWMUXRQT-JKSUJKDBSA-N 1 3 366.506 0.381 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419677939 246244081 /nfs/dbraw/zinc/24/40/81/246244081.db2.gz DDURTXMGVGUXPP-MRXNPFEDSA-N 1 3 368.522 0.579 20 0 FCADHO [NH3+]C[C@H](NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1)C1CCCC1 ZINC000419680846 246245897 /nfs/dbraw/zinc/24/58/97/246245897.db2.gz HSDRRTCKOLIKKS-INIZCTEOSA-N 1 3 366.506 0.381 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419720070 246269963 /nfs/dbraw/zinc/26/99/63/246269963.db2.gz DMJIAAFVWZALDW-JKSUJKDBSA-N 1 3 354.495 0.189 20 0 FCADHO NC1(CNC(=O)C(=O)NC[C@@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000419722170 246269977 /nfs/dbraw/zinc/26/99/77/246269977.db2.gz LLOFWFRJXMSIRV-KRWDZBQOSA-N 1 3 374.485 0.391 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419695997 246254150 /nfs/dbraw/zinc/25/41/50/246254150.db2.gz NTLDLHYXYSAPIC-KRWDZBQOSA-N 1 3 373.501 0.811 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701230 246256109 /nfs/dbraw/zinc/25/61/09/246256109.db2.gz YWGKSSVMZJCMAH-GUTXKFCHSA-N 1 3 352.479 0.349 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)CCCC2)CC1 ZINC000419753289 246282764 /nfs/dbraw/zinc/28/27/64/246282764.db2.gz NRNOWXLAZHFZPH-MRXNPFEDSA-N 1 3 366.506 0.380 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419761527 246288747 /nfs/dbraw/zinc/28/87/47/246288747.db2.gz KJKAWXRSXVXVMU-QZTJIDSGSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000419740776 246278349 /nfs/dbraw/zinc/27/83/49/246278349.db2.gz YDHLUUHUZZHUTH-AEGPPILISA-N 1 3 352.479 0.349 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419840595 246314803 /nfs/dbraw/zinc/31/48/03/246314803.db2.gz DJQVAXWLBGSVOU-GJZGRUSLSA-N 1 3 354.495 0.060 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419860229 246329210 /nfs/dbraw/zinc/32/92/10/246329210.db2.gz KRCWEYSHQZYXNF-MSOLQXFVSA-N 1 3 373.501 0.748 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419882960 246348345 /nfs/dbraw/zinc/34/83/45/246348345.db2.gz CVIXMOPBNYSMCU-UHFFFAOYSA-N 1 3 360.502 0.879 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000419947909 246382612 /nfs/dbraw/zinc/38/26/12/246382612.db2.gz YCDDIELAFGFARX-HNNXBMFYSA-N 1 3 361.490 0.858 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972896 246395814 /nfs/dbraw/zinc/39/58/14/246395814.db2.gz ZYEZGBYMMMKCHP-IAGOWNOFSA-N 1 3 368.522 0.579 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419980265 246399351 /nfs/dbraw/zinc/39/93/51/246399351.db2.gz QQIYEHYTLZPGJF-INIZCTEOSA-N 1 3 370.444 0.955 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420043630 246431471 /nfs/dbraw/zinc/43/14/71/246431471.db2.gz SBKYOTANZRKLAD-GJZGRUSLSA-N 1 3 354.495 0.550 20 0 FCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423231637 246983037 /nfs/dbraw/zinc/98/30/37/246983037.db2.gz AVUNNURLDZGIAC-QGZVFWFLSA-N 1 3 362.474 0.283 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423595300 247067656 /nfs/dbraw/zinc/06/76/56/247067656.db2.gz PSHVLWSGLGXSCD-HNNXBMFYSA-N 1 3 350.463 0.770 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000423690905 247111407 /nfs/dbraw/zinc/11/14/07/247111407.db2.gz ZFWYQHNZOAIXOV-HOCLYGCPSA-N 1 3 354.495 0.284 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423645529 247089803 /nfs/dbraw/zinc/08/98/03/247089803.db2.gz KUUDUMIVVHFIRE-FHWLQOOXSA-N 1 3 370.497 0.917 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423645529 247089807 /nfs/dbraw/zinc/08/98/07/247089807.db2.gz KUUDUMIVVHFIRE-FHWLQOOXSA-N 1 3 370.497 0.917 20 0 FCADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423740440 247135008 /nfs/dbraw/zinc/13/50/08/247135008.db2.gz XDZFDBLTVNJWFG-AEFFLSMTSA-N 1 3 371.485 0.577 20 0 FCADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424518712 247249738 /nfs/dbraw/zinc/24/97/38/247249738.db2.gz IKSGXPGZTLGBHG-RCCFBDPRSA-N 1 3 356.470 0.588 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000424444565 247217221 /nfs/dbraw/zinc/21/72/21/247217221.db2.gz CPWIOPZDCIZOGW-HNNXBMFYSA-N 1 3 361.490 0.392 20 0 FCADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000424455141 247224925 /nfs/dbraw/zinc/22/49/25/247224925.db2.gz MVOJYICEZBYWNF-UHFFFAOYSA-N 1 3 362.474 0.697 20 0 FCADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000424455141 247224929 /nfs/dbraw/zinc/22/49/29/247224929.db2.gz MVOJYICEZBYWNF-UHFFFAOYSA-N 1 3 362.474 0.697 20 0 FCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424543773 247257765 /nfs/dbraw/zinc/25/77/65/247257765.db2.gz JTAJEJPVFSEZPA-RBUKOAKNSA-N 1 3 368.481 0.755 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403407 247337457 /nfs/dbraw/zinc/33/74/57/247337457.db2.gz OCNLGXIINVYNQU-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425403407 247337462 /nfs/dbraw/zinc/33/74/62/247337462.db2.gz OCNLGXIINVYNQU-YESZJQIVSA-N 1 3 350.507 0.729 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000425322410 247323885 /nfs/dbraw/zinc/32/38/85/247323885.db2.gz TUYQDAOELWOLFH-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425322410 247323890 /nfs/dbraw/zinc/32/38/90/247323890.db2.gz TUYQDAOELWOLFH-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425322410 247323892 /nfs/dbraw/zinc/32/38/92/247323892.db2.gz TUYQDAOELWOLFH-HZPDHXFCSA-N 1 3 354.495 0.156 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000436062491 248031109 /nfs/dbraw/zinc/03/11/09/248031109.db2.gz RJGDEWVNNWZBAB-OAHLLOKOSA-N 1 3 372.469 0.992 20 0 FCADHO CN1CCN(CCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1(C)C ZINC000440987744 248230045 /nfs/dbraw/zinc/23/00/45/248230045.db2.gz XITXTABCBZVFEJ-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO CCN1CCC(NC(=O)CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253162 248245133 /nfs/dbraw/zinc/24/51/33/248245133.db2.gz AKXJDFIVTYXRNM-KZNAEPCWSA-N 1 3 352.523 0.770 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000271125728 211339969 /nfs/dbraw/zinc/33/99/69/211339969.db2.gz KPTPVCINACBRJH-SFHVURJKSA-N 1 3 364.490 0.733 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000270973652 211310195 /nfs/dbraw/zinc/31/01/95/211310195.db2.gz KENYMQUONPNKIA-HUUCEWRRSA-N 1 3 362.474 0.857 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000270973652 211310199 /nfs/dbraw/zinc/31/01/99/211310199.db2.gz KENYMQUONPNKIA-HUUCEWRRSA-N 1 3 362.474 0.857 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)c2ccoc2CC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000270817305 211275542 /nfs/dbraw/zinc/27/55/42/211275542.db2.gz NJPFBIQDJWBSSG-HUUCEWRRSA-N 1 3 362.474 0.761 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)Cc2occc2C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000270817305 211275545 /nfs/dbraw/zinc/27/55/45/211275545.db2.gz NJPFBIQDJWBSSG-HUUCEWRRSA-N 1 3 362.474 0.761 20 0 FCADHO CN(Cc1cccc(C[N@H+](C)CC(C)(CO)CO)c1)CC(C)(CO)CO ZINC000270357327 211190057 /nfs/dbraw/zinc/19/00/57/211190057.db2.gz VUMUTDAFCIBESN-UHFFFAOYSA-N 1 3 368.518 0.532 20 0 FCADHO CN(Cc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1)CC(C)(CO)CO ZINC000270357327 211190061 /nfs/dbraw/zinc/19/00/61/211190061.db2.gz VUMUTDAFCIBESN-UHFFFAOYSA-N 1 3 368.518 0.532 20 0 FCADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000470007383 250021139 /nfs/dbraw/zinc/02/11/39/250021139.db2.gz BJGPXUFQWVZRQI-GDBMZVCRSA-N 1 3 363.458 0.914 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000472759452 250179784 /nfs/dbraw/zinc/17/97/84/250179784.db2.gz ZXVPRUUITOVXFQ-DOTOQJQBSA-N 1 3 357.568 0.749 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539420 250340006 /nfs/dbraw/zinc/34/00/06/250340006.db2.gz JFARQSHCAXNGIQ-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000481539420 250340008 /nfs/dbraw/zinc/34/00/08/250340008.db2.gz JFARQSHCAXNGIQ-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000077761694 208075400 /nfs/dbraw/zinc/07/54/00/208075400.db2.gz IYUDWOZUORXICY-UHFFFAOYSA-N 1 3 361.490 0.833 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c(OCCN(C)C)c1 ZINC000118971288 208353181 /nfs/dbraw/zinc/35/31/81/208353181.db2.gz BYCZTXLRTRZZOO-OAHLLOKOSA-N 1 3 362.474 0.942 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c(OCCN(C)C)c1 ZINC000118971288 208353184 /nfs/dbraw/zinc/35/31/84/208353184.db2.gz BYCZTXLRTRZZOO-OAHLLOKOSA-N 1 3 362.474 0.942 20 0 FCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000118955161 208352361 /nfs/dbraw/zinc/35/23/61/208352361.db2.gz AGRYJENJUROIPP-UHFFFAOYSA-N 1 3 350.463 0.942 20 0 FCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000120363316 208382528 /nfs/dbraw/zinc/38/25/28/208382528.db2.gz XMGKJZZCUPAXEF-UHFFFAOYSA-N 1 3 360.458 0.916 20 0 FCADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176410090 209001521 /nfs/dbraw/zinc/00/15/21/209001521.db2.gz PYKVKSXITLLEKH-KRWDZBQOSA-N 1 3 367.538 0.376 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000173921759 229210870 /nfs/dbraw/zinc/21/08/70/229210870.db2.gz KAYJPTYMTGGTGG-HNNXBMFYSA-N 1 3 352.483 0.803 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000173921759 229210873 /nfs/dbraw/zinc/21/08/73/229210873.db2.gz KAYJPTYMTGGTGG-HNNXBMFYSA-N 1 3 352.483 0.803 20 0 FCADHO CC1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]CC1 ZINC000562817253 491191721 /nfs/dbraw/zinc/19/17/21/491191721.db2.gz VPQGXMLZWOKLSK-UHFFFAOYSA-N 1 3 351.495 0.326 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562831764 491194797 /nfs/dbraw/zinc/19/47/97/491194797.db2.gz RSTPTNQGNPAJLM-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CN1CCN(CCC(C)(C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000184417540 488396294 /nfs/dbraw/zinc/39/62/94/488396294.db2.gz MTOVNQGVPMOARM-UHFFFAOYSA-N 1 3 365.526 0.982 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000185819459 488403150 /nfs/dbraw/zinc/40/31/50/488403150.db2.gz LENKHAIDIDSOIY-MRXNPFEDSA-N 1 3 355.527 0.422 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000569831456 491196177 /nfs/dbraw/zinc/19/61/77/491196177.db2.gz HANWNORKZZLFGL-SFHVURJKSA-N 1 3 370.563 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](CO)O1 ZINC000189183275 488414305 /nfs/dbraw/zinc/41/43/05/488414305.db2.gz UOSQFRMKTFUYEN-PBHICJAKSA-N 1 3 354.495 0.336 20 0 FCADHO CCN1CCN(c2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc2)CC1 ZINC000236995232 488453813 /nfs/dbraw/zinc/45/38/13/488453813.db2.gz KMIVHEQVVJNZAF-UHFFFAOYSA-N 1 3 359.518 0.854 20 0 FCADHO CC1CCN(CC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000236840952 488453879 /nfs/dbraw/zinc/45/38/79/488453879.db2.gz APWSQDPVIARUCA-IAGOWNOFSA-N 1 3 350.507 0.825 20 0 FCADHO CC[N@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000103313675 488501019 /nfs/dbraw/zinc/50/10/19/488501019.db2.gz NDFDNZGTXKFMOU-UHFFFAOYSA-N 1 3 351.495 0.420 20 0 FCADHO CC[N@@H+](CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000103313675 488501020 /nfs/dbraw/zinc/50/10/20/488501020.db2.gz NDFDNZGTXKFMOU-UHFFFAOYSA-N 1 3 351.495 0.420 20 0 FCADHO C[NH+]1CCC(CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000103320857 488501214 /nfs/dbraw/zinc/50/12/14/488501214.db2.gz DCKWUVSCIVBINI-UHFFFAOYSA-N 1 3 365.522 0.668 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105223181 488508238 /nfs/dbraw/zinc/50/82/38/488508238.db2.gz MGCLHJUCZBEZOG-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000249501078 488510314 /nfs/dbraw/zinc/51/03/14/488510314.db2.gz XFLMYZKEZKBYEZ-ZACQAIPSSA-N 1 3 368.522 0.437 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108570904 488520285 /nfs/dbraw/zinc/52/02/85/488520285.db2.gz OLCTZJJBZCHXQR-IAGOWNOFSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108570904 488520286 /nfs/dbraw/zinc/52/02/86/488520286.db2.gz OLCTZJJBZCHXQR-IAGOWNOFSA-N 1 3 365.522 0.713 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261671604 488530089 /nfs/dbraw/zinc/53/00/89/488530089.db2.gz GGOUYXCNVOGOMX-LJQANCHMSA-N 1 3 360.502 0.804 20 0 FCADHO CC(C)N1CCC[C@H](N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261843560 488537937 /nfs/dbraw/zinc/53/79/37/488537937.db2.gz LSXATZGWJMAZKO-IKGGRYGDSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000114378451 488539774 /nfs/dbraw/zinc/53/97/74/488539774.db2.gz XFJMXOUJZOXRCP-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CCOC(=O)Cn1nc(C)c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000262020225 488546480 /nfs/dbraw/zinc/54/64/80/488546480.db2.gz WASKEHZLXIEQGR-OAHLLOKOSA-N 1 3 365.478 0.350 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000262598834 488580000 /nfs/dbraw/zinc/58/00/00/488580000.db2.gz WNYZKFKZTYEFNH-YYIAUSFCSA-N 1 3 350.507 0.905 20 0 FCADHO CN(C)CCOc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccn1 ZINC000272656111 488595547 /nfs/dbraw/zinc/59/55/47/488595547.db2.gz GTOIHZWEOHEDKG-KRWDZBQOSA-N 1 3 364.490 0.989 20 0 FCADHO CN(C)CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccn1 ZINC000272656111 488595548 /nfs/dbraw/zinc/59/55/48/488595548.db2.gz GTOIHZWEOHEDKG-KRWDZBQOSA-N 1 3 364.490 0.989 20 0 FCADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262827969 488595866 /nfs/dbraw/zinc/59/58/66/488595866.db2.gz HNPKZTBPDVITTG-QGZVFWFLSA-N 1 3 362.474 0.492 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1c(C)cc(O)cc1=O ZINC000125131733 488598085 /nfs/dbraw/zinc/59/80/85/488598085.db2.gz HKLCAYCIVOGSHN-INIZCTEOSA-N 1 3 364.490 0.737 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1c(C)cc(O)cc1=O ZINC000125131733 488598086 /nfs/dbraw/zinc/59/80/86/488598086.db2.gz HKLCAYCIVOGSHN-INIZCTEOSA-N 1 3 364.490 0.737 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000130571173 488638542 /nfs/dbraw/zinc/63/85/42/488638542.db2.gz RRXAZKZHCGFQJM-UHFFFAOYSA-N 1 3 360.380 0.994 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCC[C@@H](C)C1 ZINC000134144538 488665145 /nfs/dbraw/zinc/66/51/45/488665145.db2.gz FAQITUCFDDSOQC-CABCVRRESA-N 1 3 364.494 0.620 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000139006751 488683461 /nfs/dbraw/zinc/68/34/61/488683461.db2.gz CESDEZAOTZVBBT-QGZVFWFLSA-N 1 3 365.522 0.809 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000139006751 488683463 /nfs/dbraw/zinc/68/34/63/488683463.db2.gz CESDEZAOTZVBBT-QGZVFWFLSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000153574872 488732692 /nfs/dbraw/zinc/73/26/92/488732692.db2.gz WCVIWVORUYRCKT-RDJZCZTQSA-N 1 3 354.495 0.459 20 0 FCADHO CSC[C@@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000158199186 488776558 /nfs/dbraw/zinc/77/65/58/488776558.db2.gz YYRYCEKJIDSVDX-KRWDZBQOSA-N 1 3 358.552 0.958 20 0 FCADHO O=C(C[C@H]1CNCCO1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168098084 488812564 /nfs/dbraw/zinc/81/25/64/488812564.db2.gz DFQNYYFEWNXYNU-OALUTQOASA-N 1 3 361.486 0.927 20 0 FCADHO CCn1ccnc1CN(C(=O)CCOC1CNC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157616 491223426 /nfs/dbraw/zinc/22/34/26/491223426.db2.gz JEJDKKOFVLQVNH-INIZCTEOSA-N 1 3 361.490 0.752 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000563211188 491227711 /nfs/dbraw/zinc/22/77/11/491227711.db2.gz OLKMZUVRMBBSGI-FCEWJHQRSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000364877852 489013448 /nfs/dbraw/zinc/01/34/48/489013448.db2.gz AGJHMRQUQIUNFW-UHFFFAOYSA-N 1 3 351.495 0.419 20 0 FCADHO CN1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000570294904 491231797 /nfs/dbraw/zinc/23/17/97/491231797.db2.gz XHUKAWUNKXHERU-YDHLFZDLSA-N 1 3 350.488 0.725 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000289599291 489080772 /nfs/dbraw/zinc/08/07/72/489080772.db2.gz WMPOTCGDJTZDDD-UHFFFAOYSA-N 1 3 360.502 0.960 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331379899 489203755 /nfs/dbraw/zinc/20/37/55/489203755.db2.gz GECSJXAQINVJIS-QEOTZNIISA-N 1 3 350.507 0.537 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331449695 489213377 /nfs/dbraw/zinc/21/33/77/489213377.db2.gz YZFPJJBYEFCKHJ-JYJNAYRXSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331449695 489213379 /nfs/dbraw/zinc/21/33/79/489213379.db2.gz YZFPJJBYEFCKHJ-JYJNAYRXSA-N 1 3 350.507 0.966 20 0 FCADHO COCCN1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000369682394 489263154 /nfs/dbraw/zinc/26/31/54/489263154.db2.gz SCUQVXILXJBCOK-UHFFFAOYSA-N 1 3 364.494 1.382 20 0 FCADHO CC[NH+](CC)CCSCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000570520017 491247071 /nfs/dbraw/zinc/24/70/71/491247071.db2.gz QCQVELBMJNDIGJ-HNNXBMFYSA-N 1 3 354.524 0.975 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000285878625 489329802 /nfs/dbraw/zinc/32/98/02/489329802.db2.gz BWOVXGHFIAOEMZ-KRWDZBQOSA-N 1 3 352.454 0.815 20 0 FCADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)CC1 ZINC000370692471 489390450 /nfs/dbraw/zinc/39/04/50/489390450.db2.gz SKAQYWRVNNPQFB-UHFFFAOYSA-N 1 3 352.523 0.726 20 0 FCADHO C[C@H](CNC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000362896045 489403812 /nfs/dbraw/zinc/40/38/12/489403812.db2.gz GTSVCESKVJSVKE-KURKYZTESA-N 1 3 367.538 0.111 20 0 FCADHO C[NH+](C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCCC1 ZINC000563549579 491254368 /nfs/dbraw/zinc/25/43/68/491254368.db2.gz ZYZAUDPNIAEMDY-OWCLPIDISA-N 1 3 351.495 0.450 20 0 FCADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183138 489435042 /nfs/dbraw/zinc/43/50/42/489435042.db2.gz OHRZHFBACJNJLA-ROUUACIJSA-N 1 3 366.506 0.603 20 0 FCADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183138 489435045 /nfs/dbraw/zinc/43/50/45/489435045.db2.gz OHRZHFBACJNJLA-ROUUACIJSA-N 1 3 366.506 0.603 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021151 489439043 /nfs/dbraw/zinc/43/90/43/489439043.db2.gz XQHUVNWAPVDDRL-IRXDYDNUSA-N 1 3 353.511 0.129 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021151 489439045 /nfs/dbraw/zinc/43/90/45/489439045.db2.gz XQHUVNWAPVDDRL-IRXDYDNUSA-N 1 3 353.511 0.129 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021574 489439276 /nfs/dbraw/zinc/43/92/76/489439276.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 1 3 353.511 0.175 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021574 489439278 /nfs/dbraw/zinc/43/92/78/489439278.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 1 3 353.511 0.175 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000371240120 489469933 /nfs/dbraw/zinc/46/99/33/489469933.db2.gz BJENCJZYIUETRD-FQEVSTJZSA-N 1 3 371.529 0.440 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000371240120 489469936 /nfs/dbraw/zinc/46/99/36/489469936.db2.gz BJENCJZYIUETRD-FQEVSTJZSA-N 1 3 371.529 0.440 20 0 FCADHO CN(C)C1(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000563581498 491256045 /nfs/dbraw/zinc/25/60/45/491256045.db2.gz QAVWOXDZTQNYFA-IBGZPJMESA-N 1 3 371.529 0.775 20 0 FCADHO CCN1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000371558157 489488162 /nfs/dbraw/zinc/48/81/62/489488162.db2.gz PIELFGUUAUCHCW-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000371558157 489488163 /nfs/dbraw/zinc/48/81/63/489488163.db2.gz PIELFGUUAUCHCW-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423101586 489493793 /nfs/dbraw/zinc/49/37/93/489493793.db2.gz WCEDDFQPQLYUAS-IYBDPMFKSA-N 1 3 362.449 0.394 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423163811 489498948 /nfs/dbraw/zinc/49/89/48/489498948.db2.gz NLXSVJTWYZQAAR-MRXNPFEDSA-N 1 3 364.465 0.784 20 0 FCADHO COC(=O)c1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1C ZINC000414477322 489501053 /nfs/dbraw/zinc/50/10/53/489501053.db2.gz BFTDKGSNDSDESG-UHFFFAOYSA-N 1 3 364.490 0.698 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000423210113 489502621 /nfs/dbraw/zinc/50/26/21/489502621.db2.gz JSDNJXVUCSYELP-HZPDHXFCSA-N 1 3 356.511 0.387 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000570712527 491259390 /nfs/dbraw/zinc/25/93/90/491259390.db2.gz WLRPEFYYUVNCNF-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000570712527 491259392 /nfs/dbraw/zinc/25/93/92/491259392.db2.gz WLRPEFYYUVNCNF-KRWDZBQOSA-N 1 3 365.522 0.810 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423213548 489503430 /nfs/dbraw/zinc/50/34/30/489503430.db2.gz NMFLZHQJVFPSCL-DLBZAZTESA-N 1 3 362.449 0.633 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000423218108 489503804 /nfs/dbraw/zinc/50/38/04/489503804.db2.gz UWOJZYJMKBWTTR-GOEBONIOSA-N 1 3 354.495 0.141 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000423219156 489504839 /nfs/dbraw/zinc/50/48/39/489504839.db2.gz WHAUAGSTYGLOSW-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423231636 489505910 /nfs/dbraw/zinc/50/59/10/489505910.db2.gz AVUNNURLDZGIAC-KRWDZBQOSA-N 1 3 362.474 0.283 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000423261678 489508462 /nfs/dbraw/zinc/50/84/62/489508462.db2.gz SQKXOPRIFIPEKX-RBUKOAKNSA-N 1 3 372.513 0.953 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423270044 489509795 /nfs/dbraw/zinc/50/97/95/489509795.db2.gz WJPVHAPADPLMCY-UHFFFAOYSA-N 1 3 368.522 0.405 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423270401 489510036 /nfs/dbraw/zinc/51/00/36/489510036.db2.gz WNTJMZNPLOURTI-UHFFFAOYSA-N 1 3 354.495 0.015 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000415374731 489516416 /nfs/dbraw/zinc/51/64/16/489516416.db2.gz ZCYBKPLZXGRWBQ-UHFFFAOYSA-N 1 3 361.490 0.881 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1F ZINC000415374061 489516567 /nfs/dbraw/zinc/51/65/67/489516567.db2.gz ILGYZZRPTMFOCW-ZDUSSCGKSA-N 1 3 352.410 0.573 20 0 FCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN[C@H](C)C3)cc2)CC1 ZINC000415448300 489521992 /nfs/dbraw/zinc/52/19/92/489521992.db2.gz XVKOHKCRKDDWDM-MRXNPFEDSA-N 1 3 373.501 0.583 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)c2)CC1 ZINC000415486975 489525140 /nfs/dbraw/zinc/52/51/40/489525140.db2.gz GEEVVLPKGXKSCI-SFHVURJKSA-N 1 3 373.501 0.977 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415514449 489526152 /nfs/dbraw/zinc/52/61/52/489526152.db2.gz ZOWFNVVAGPZBAY-OAHLLOKOSA-N 1 3 373.501 0.868 20 0 FCADHO C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425860745 489534277 /nfs/dbraw/zinc/53/42/77/489534277.db2.gz HNTGZAQSENYRSK-PKOBYXMFSA-N 1 3 370.497 0.930 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415603352 489535819 /nfs/dbraw/zinc/53/58/19/489535819.db2.gz NMAUGCGVMVXMOH-LJQANCHMSA-N 1 3 360.458 0.778 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000563686859 491263229 /nfs/dbraw/zinc/26/32/29/491263229.db2.gz JPYSFSXZOOPERK-UHFFFAOYSA-N 1 3 370.538 0.602 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000563686859 491263231 /nfs/dbraw/zinc/26/32/31/491263231.db2.gz JPYSFSXZOOPERK-UHFFFAOYSA-N 1 3 370.538 0.602 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000415814767 489554878 /nfs/dbraw/zinc/55/48/78/489554878.db2.gz JGWKWFRZPCYXFJ-QAPCUYQASA-N 1 3 371.485 0.587 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415867495 489561794 /nfs/dbraw/zinc/56/17/94/489561794.db2.gz PLETWKZTHUPCBB-QGZVFWFLSA-N 1 3 360.458 0.368 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1OCCN(C)C ZINC000415876094 489562809 /nfs/dbraw/zinc/56/28/09/489562809.db2.gz ZTLKZUVPBWKUNU-CVEARBPZSA-N 1 3 374.485 0.942 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000563704971 491264332 /nfs/dbraw/zinc/26/43/32/491264332.db2.gz APSMIMRVOXIHCE-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CSC1(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[NH+](C)CC1 ZINC000427151574 489596551 /nfs/dbraw/zinc/59/65/51/489596551.db2.gz WPNQTUXPCDOOSB-AWEZNQCLSA-N 1 3 356.536 0.340 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455672878 489597846 /nfs/dbraw/zinc/59/78/46/489597846.db2.gz WFGURQIRCIVWFL-HNNXBMFYSA-N 1 3 352.483 0.659 20 0 FCADHO C[C@@H]1CN(CCC[NH2+]C2CCN(CCN3CCOCC3)CC2)CCCO1 ZINC000372887860 489647880 /nfs/dbraw/zinc/64/78/80/489647880.db2.gz AKLIUWDDRKEGGU-LJQANCHMSA-N 1 3 368.566 0.874 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417426417 489651907 /nfs/dbraw/zinc/65/19/07/489651907.db2.gz GNXOTXRDSJOKKM-JKSUJKDBSA-N 1 3 353.511 0.700 20 0 FCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000417472015 489655376 /nfs/dbraw/zinc/65/53/76/489655376.db2.gz HZJGTSBDOGDOIT-LSDHHAIUSA-N 1 3 361.490 0.870 20 0 FCADHO C[C@@H]1NCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H]1C ZINC000417472011 489655621 /nfs/dbraw/zinc/65/56/21/489655621.db2.gz HZJGTSBDOGDOIT-GJZGRUSLSA-N 1 3 361.490 0.870 20 0 FCADHO COCC[N@H+](C)CC[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000417497466 489656068 /nfs/dbraw/zinc/65/60/68/489656068.db2.gz BBTGARGSKRGLBL-MSOLQXFVSA-N 1 3 364.490 0.984 20 0 FCADHO COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000417497466 489656071 /nfs/dbraw/zinc/65/60/71/489656071.db2.gz BBTGARGSKRGLBL-MSOLQXFVSA-N 1 3 364.490 0.984 20 0 FCADHO COC[C@@]1(CNC(=O)NCC(C)(C)N2CCC(OC)CC2)CCC[NH2+]1 ZINC000417548370 489658526 /nfs/dbraw/zinc/65/85/26/489658526.db2.gz QMURZMBBTKYJHM-SFHVURJKSA-N 1 3 356.511 0.944 20 0 FCADHO COc1cc(NC(=O)NC[C@]2(O)CCN(C)C2)ccc1OCC[NH+](C)C ZINC000417681355 489661146 /nfs/dbraw/zinc/66/11/46/489661146.db2.gz JQJPDQXONWWZIY-GOSISDBHSA-N 1 3 366.462 0.824 20 0 FCADHO COC[C@]1(CNC(=O)NC2CCN(CCOC(C)C)CC2)CCC[NH2+]1 ZINC000417815173 489666959 /nfs/dbraw/zinc/66/69/59/489666959.db2.gz SLCBVKFMVRTGGD-GOSISDBHSA-N 1 3 356.511 0.944 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373128099 489671020 /nfs/dbraw/zinc/67/10/20/489671020.db2.gz YIHDHQAEJMPLNA-SJORKVTESA-N 1 3 353.511 0.129 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373128099 489671022 /nfs/dbraw/zinc/67/10/22/489671022.db2.gz YIHDHQAEJMPLNA-SJORKVTESA-N 1 3 353.511 0.129 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCN1C ZINC000418001086 489674705 /nfs/dbraw/zinc/67/47/05/489674705.db2.gz KHLSDOXAAXMHLU-YYIAUSFCSA-N 1 3 365.522 0.759 20 0 FCADHO C[C@@H]1[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCN1C ZINC000417993667 489674852 /nfs/dbraw/zinc/67/48/52/489674852.db2.gz AUGGKTLCNGUJIM-UPJWGTAASA-N 1 3 351.417 0.604 20 0 FCADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404017 489681414 /nfs/dbraw/zinc/68/14/14/489681414.db2.gz AXTWBOFJGANIIY-HOTGVXAUSA-N 1 3 365.522 0.700 20 0 FCADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404017 489681416 /nfs/dbraw/zinc/68/14/16/489681416.db2.gz AXTWBOFJGANIIY-HOTGVXAUSA-N 1 3 365.522 0.700 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000458411123 489681865 /nfs/dbraw/zinc/68/18/65/489681865.db2.gz AQLDUSALITTWIM-MRXNPFEDSA-N 1 3 355.527 0.422 20 0 FCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000458411123 489681868 /nfs/dbraw/zinc/68/18/68/489681868.db2.gz AQLDUSALITTWIM-MRXNPFEDSA-N 1 3 355.527 0.422 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000418295975 489689592 /nfs/dbraw/zinc/68/95/92/489689592.db2.gz IMNQUXUSKHTSSQ-UHFFFAOYSA-N 1 3 363.506 0.674 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418558991 489707093 /nfs/dbraw/zinc/70/70/93/489707093.db2.gz CGUAQMJLROPLBY-WOSRLPQWSA-N 1 3 354.401 0.698 20 0 FCADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418562246 489707293 /nfs/dbraw/zinc/70/72/93/489707293.db2.gz QTISSHVYWRPKOO-QZTJIDSGSA-N 1 3 364.490 0.754 20 0 FCADHO COC[C@]1(CNC(=O)NC(C)(C)CCN2CCN(C)CC2)CCC[NH2+]1 ZINC000418650804 489715465 /nfs/dbraw/zinc/71/54/65/489715465.db2.gz GREGTLJQCPMQPI-GOSISDBHSA-N 1 3 355.527 0.470 20 0 FCADHO CCN1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000459046556 489715757 /nfs/dbraw/zinc/71/57/57/489715757.db2.gz LZABUOOIROAPBJ-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CCN1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000459046556 489715761 /nfs/dbraw/zinc/71/57/61/489715761.db2.gz LZABUOOIROAPBJ-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459152753 489720364 /nfs/dbraw/zinc/72/03/64/489720364.db2.gz JDRBWOSGGXZIAK-KRWDZBQOSA-N 1 3 365.522 0.809 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459152753 489720368 /nfs/dbraw/zinc/72/03/68/489720368.db2.gz JDRBWOSGGXZIAK-KRWDZBQOSA-N 1 3 365.522 0.809 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418734532 489721290 /nfs/dbraw/zinc/72/12/90/489721290.db2.gz SOPURYHVQMQZHF-KVSKMBFKSA-N 1 3 364.465 0.885 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418758144 489723490 /nfs/dbraw/zinc/72/34/90/489723490.db2.gz ZWKUVRVPKAMSEN-INIZCTEOSA-N 1 3 351.495 0.468 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418772470 489724646 /nfs/dbraw/zinc/72/46/46/489724646.db2.gz WRECSLRMRGNNBJ-MRXNPFEDSA-N 1 3 369.460 0.942 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000418824054 489739945 /nfs/dbraw/zinc/73/99/45/489739945.db2.gz AKRQKAIRYSIRMF-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000418829951 489743514 /nfs/dbraw/zinc/74/35/14/489743514.db2.gz FHOJWAOTRTXBAH-FXAWDEMLSA-N 1 3 360.502 0.781 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430545173 489745261 /nfs/dbraw/zinc/74/52/61/489745261.db2.gz HLOYDROBFZFGFV-OAHLLOKOSA-N 1 3 356.492 0.968 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836081 489746332 /nfs/dbraw/zinc/74/63/32/489746332.db2.gz PAUMOEIZEJCJJK-KBPBESRZSA-N 1 3 354.495 0.596 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000418834950 489746468 /nfs/dbraw/zinc/74/64/68/489746468.db2.gz MUUZEXIRHUWWDE-HUUCEWRRSA-N 1 3 354.495 0.332 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418849811 489755448 /nfs/dbraw/zinc/75/54/48/489755448.db2.gz NIUWHSSVLWMFAK-SQNIBIBYSA-N 1 3 360.502 0.909 20 0 FCADHO C[C@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430632677 489759454 /nfs/dbraw/zinc/75/94/54/489759454.db2.gz ZAOPKQNWAFQKGN-STQMWFEESA-N 1 3 368.503 0.570 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000418856025 489759642 /nfs/dbraw/zinc/75/96/42/489759642.db2.gz WFBXBNWIDKLRGS-QZTJIDSGSA-N 1 3 360.502 0.863 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000418855265 489759654 /nfs/dbraw/zinc/75/96/54/489759654.db2.gz UPKBUBJWEDAZGK-VJANTYMQSA-N 1 3 372.513 0.861 20 0 FCADHO Cc1c(C(=O)NC[C@]2(N(C)C)CCSC2)nnn1C1CC[NH2+]CC1 ZINC000430681655 489764487 /nfs/dbraw/zinc/76/44/87/489764487.db2.gz FIRPZMWJVKHRMS-MRXNPFEDSA-N 1 3 352.508 0.678 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418883635 489774862 /nfs/dbraw/zinc/77/48/62/489774862.db2.gz VLBFRVVBSRLBLJ-DOTOQJQBSA-N 1 3 368.522 0.627 20 0 FCADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033416 489785544 /nfs/dbraw/zinc/78/55/44/489785544.db2.gz PAAFZKBYRNRAAY-KRWDZBQOSA-N 1 3 352.523 0.535 20 0 FCADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000431030515 489785744 /nfs/dbraw/zinc/78/57/44/489785744.db2.gz NYDZFCFMQOPDTK-UHFFFAOYSA-N 1 3 362.518 0.923 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459908585 489787367 /nfs/dbraw/zinc/78/73/67/489787367.db2.gz QPIISSOCBNGGGE-SJORKVTESA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459908585 489787371 /nfs/dbraw/zinc/78/73/71/489787371.db2.gz QPIISSOCBNGGGE-SJORKVTESA-N 1 3 352.523 0.975 20 0 FCADHO CCCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC[NH2+]CC1 ZINC000431088860 489787815 /nfs/dbraw/zinc/78/78/15/489787815.db2.gz XQLSHXSBPOUQJZ-UHFFFAOYSA-N 1 3 362.478 0.288 20 0 FCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431092363 489789052 /nfs/dbraw/zinc/78/90/52/489789052.db2.gz AWMKCMFAJKCMAK-CYBMUJFWSA-N 1 3 355.401 0.316 20 0 FCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418950414 489801811 /nfs/dbraw/zinc/80/18/11/489801811.db2.gz HCYONHLFYSYPAM-ZACQAIPSSA-N 1 3 368.522 0.360 20 0 FCADHO CN(C)[C@H](CNC(=O)CN(C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000475041530 489803649 /nfs/dbraw/zinc/80/36/49/489803649.db2.gz ZVTKCFMJXJONCX-LJQANCHMSA-N 1 3 362.518 0.794 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@@H+]1C ZINC000418970105 489807327 /nfs/dbraw/zinc/80/73/27/489807327.db2.gz WCHDMDIFSBTAKO-UICACZKSSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@H+]1C ZINC000418970105 489807331 /nfs/dbraw/zinc/80/73/31/489807331.db2.gz WCHDMDIFSBTAKO-UICACZKSSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419020431 489820803 /nfs/dbraw/zinc/82/08/03/489820803.db2.gz FTZPYEFDYBSUBD-CABCVRRESA-N 1 3 354.495 0.189 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000419026332 489823699 /nfs/dbraw/zinc/82/36/99/489823699.db2.gz NLXQBKUDZGPJPL-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419033594 489825928 /nfs/dbraw/zinc/82/59/28/489825928.db2.gz LPNOWPMRZOPQJY-OAHLLOKOSA-N 1 3 370.563 0.826 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419033140 489826810 /nfs/dbraw/zinc/82/68/10/489826810.db2.gz XVBHSRQTLUWIKS-HZPDHXFCSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000419047679 489834197 /nfs/dbraw/zinc/83/41/97/489834197.db2.gz YOFPOGRUNHHUKN-JKSUJKDBSA-N 1 3 368.522 0.578 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000460055265 489835628 /nfs/dbraw/zinc/83/56/28/489835628.db2.gz FXWYALPCZIOSNZ-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000460055265 489835631 /nfs/dbraw/zinc/83/56/31/489835631.db2.gz FXWYALPCZIOSNZ-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419051892 489835784 /nfs/dbraw/zinc/83/57/84/489835784.db2.gz CFONKDYAQJKNTO-FGTMMUONSA-N 1 3 374.485 0.199 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419056062 489837489 /nfs/dbraw/zinc/83/74/89/489837489.db2.gz KQXDHNFXTRCOFV-DJIMGWMZSA-N 1 3 362.474 0.103 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419072260 489845360 /nfs/dbraw/zinc/84/53/60/489845360.db2.gz BFJXXKYEOBKHST-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419079962 489848527 /nfs/dbraw/zinc/84/85/27/489848527.db2.gz NYGBTTPTALMKHL-HZMVEIRTSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419097130 489853954 /nfs/dbraw/zinc/85/39/54/489853954.db2.gz DJFKQOYXEKKPTL-MRXNPFEDSA-N 1 3 368.522 0.724 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419099490 489855335 /nfs/dbraw/zinc/85/53/35/489855335.db2.gz DUXCCGXVTRWJJC-IAGOWNOFSA-N 1 3 358.486 0.881 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000460264115 489859195 /nfs/dbraw/zinc/85/91/95/489859195.db2.gz VZLUETOURVPOLY-LJQANCHMSA-N 1 3 364.490 0.883 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)[C@H](C)C1 ZINC000460265762 489860562 /nfs/dbraw/zinc/86/05/62/489860562.db2.gz ZEMCFGBMSIVQEB-SOLBZPMBSA-N 1 3 356.511 0.489 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)[C@H](C)C1 ZINC000460265762 489860566 /nfs/dbraw/zinc/86/05/66/489860566.db2.gz ZEMCFGBMSIVQEB-SOLBZPMBSA-N 1 3 356.511 0.489 20 0 FCADHO [NH3+]C1CCN(CCCC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000433180947 489871172 /nfs/dbraw/zinc/87/11/72/489871172.db2.gz WQQNZMDLZZSZHY-UHFFFAOYSA-N 1 3 352.523 0.761 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030662 489886804 /nfs/dbraw/zinc/88/68/04/489886804.db2.gz GPWDWFKXPXHSTG-KBXIAJHMSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030662 489886808 /nfs/dbraw/zinc/88/68/08/489886808.db2.gz GPWDWFKXPXHSTG-KBXIAJHMSA-N 1 3 354.495 0.452 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420031613 489887106 /nfs/dbraw/zinc/88/71/06/489887106.db2.gz HKAWPNWRGRTINR-DZGCQCFKSA-N 1 3 354.495 0.548 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433608763 489892813 /nfs/dbraw/zinc/89/28/13/489892813.db2.gz LPTUGCWJQCPXEI-WBVHZDCISA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433608763 489892817 /nfs/dbraw/zinc/89/28/17/489892817.db2.gz LPTUGCWJQCPXEI-WBVHZDCISA-N 1 3 365.522 0.890 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000420066567 489901647 /nfs/dbraw/zinc/90/16/47/489901647.db2.gz RCYIJBCGDKLEQY-QGZVFWFLSA-N 1 3 362.474 0.439 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000555965682 491286337 /nfs/dbraw/zinc/28/63/37/491286337.db2.gz VITKTQTVSHUOJG-KRWDZBQOSA-N 1 3 367.538 0.119 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@@H](C)O1 ZINC000420088785 489907472 /nfs/dbraw/zinc/90/74/72/489907472.db2.gz INQARNYWRQEJAW-HUUCEWRRSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000461520756 489916155 /nfs/dbraw/zinc/91/61/55/489916155.db2.gz PPMKCMDOOPSQPF-KRWDZBQOSA-N 1 3 353.467 0.134 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576195 489924176 /nfs/dbraw/zinc/92/41/76/489924176.db2.gz AIMIIUIIRBVILA-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576195 489924177 /nfs/dbraw/zinc/92/41/77/489924177.db2.gz AIMIIUIIRBVILA-SJORKVTESA-N 1 3 368.522 0.356 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132895 489924947 /nfs/dbraw/zinc/92/49/47/489924947.db2.gz SQPXQLRQPJCLBP-ZFWWWQNUSA-N 1 3 352.504 0.895 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000477067974 489938943 /nfs/dbraw/zinc/93/89/43/489938943.db2.gz PJGHVZCBRUCCQJ-HOTGVXAUSA-N 1 3 356.511 0.450 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000462010582 489950474 /nfs/dbraw/zinc/95/04/74/489950474.db2.gz NZYGWMMYMNFMOJ-JKSUJKDBSA-N 1 3 353.511 0.663 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000462010582 489950478 /nfs/dbraw/zinc/95/04/78/489950478.db2.gz NZYGWMMYMNFMOJ-JKSUJKDBSA-N 1 3 353.511 0.663 20 0 FCADHO C[C@H](CN1CCOCC1)N(C)C[C@H](C)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713775 489950949 /nfs/dbraw/zinc/95/09/49/489950949.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 1 3 370.582 0.928 20 0 FCADHO C[C@H](CN1CCOCC1)N(C)C[C@H](C)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713775 489950952 /nfs/dbraw/zinc/95/09/52/489950952.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 1 3 370.582 0.928 20 0 FCADHO C[C@H](CN(C)[C@@H](C)CN1CCOCC1)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713775 489950954 /nfs/dbraw/zinc/95/09/54/489950954.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 1 3 370.582 0.928 20 0 FCADHO C[C@H](CN(C)[C@@H](C)CN1CCOCC1)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434713775 489950957 /nfs/dbraw/zinc/95/09/57/489950957.db2.gz KHBXVDOUWYMFOY-ACDBMABISA-N 1 3 370.582 0.928 20 0 FCADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420297666 489960950 /nfs/dbraw/zinc/96/09/50/489960950.db2.gz RIZJEJKSBJNROO-YJBOKZPZSA-N 1 3 358.486 0.747 20 0 FCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCCN1CCCCCC1=O ZINC000420332422 489963541 /nfs/dbraw/zinc/96/35/41/489963541.db2.gz JMOKXLQXVPJQBB-CALCHBBNSA-N 1 3 350.507 0.827 20 0 FCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000420338726 489964667 /nfs/dbraw/zinc/96/46/67/489964667.db2.gz NSWUXBUMMVBWGI-IYBDPMFKSA-N 1 3 360.458 0.495 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000571204123 491292478 /nfs/dbraw/zinc/29/24/78/491292478.db2.gz QFGQEKSRYHDZDJ-QGZVFWFLSA-N 1 3 359.474 0.593 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000571204122 491292536 /nfs/dbraw/zinc/29/25/36/491292536.db2.gz QFGQEKSRYHDZDJ-KRWDZBQOSA-N 1 3 359.474 0.593 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477652882 489981567 /nfs/dbraw/zinc/98/15/67/489981567.db2.gz NTXXJRSLIHCBKH-INIZCTEOSA-N 1 3 354.495 0.156 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962006 489987916 /nfs/dbraw/zinc/98/79/16/489987916.db2.gz SRUQFWJVWUSVIB-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378001945 489994426 /nfs/dbraw/zinc/99/44/26/489994426.db2.gz KVJWVJPLBPZWCC-OAHLLOKOSA-N 1 3 367.538 0.959 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000556085949 491293986 /nfs/dbraw/zinc/29/39/86/491293986.db2.gz YSWAXLJQDRGXJJ-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000556085949 491293988 /nfs/dbraw/zinc/29/39/88/491293988.db2.gz YSWAXLJQDRGXJJ-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000491057759 490075249 /nfs/dbraw/zinc/07/52/49/490075249.db2.gz WVCAEFDZRGSVMB-UHFFFAOYSA-N 1 3 355.527 0.914 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000491057759 490075254 /nfs/dbraw/zinc/07/52/54/490075254.db2.gz WVCAEFDZRGSVMB-UHFFFAOYSA-N 1 3 355.527 0.914 20 0 FCADHO CCOC(=O)[C@@](C)(O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000519782628 490082210 /nfs/dbraw/zinc/08/22/10/490082210.db2.gz UWRMJBXQLQLNKN-IBGZPJMESA-N 1 3 369.506 0.613 20 0 FCADHO CC[NH+]1CCN(CCCCNC(=O)N2CCN(C[C@@H](C)O)CC2)CC1 ZINC000479650906 490112642 /nfs/dbraw/zinc/11/26/42/490112642.db2.gz VKDXUBZQOFSABG-QGZVFWFLSA-N 1 3 355.527 0.112 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000479670465 490114446 /nfs/dbraw/zinc/11/44/46/490114446.db2.gz CPIINDOHMIZWLV-ZWKOTPCHSA-N 1 3 369.554 0.501 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000520236553 490119937 /nfs/dbraw/zinc/11/99/37/490119937.db2.gz GDADYRBAKFZCLJ-UHFFFAOYSA-N 1 3 353.511 0.570 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@@H]2CCCN2C)CC1=O ZINC000422012805 490125745 /nfs/dbraw/zinc/12/57/45/490125745.db2.gz CJCMUQZBIPCLSQ-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C[C@@H]2CCCN2C)CC1=O ZINC000422012805 490125750 /nfs/dbraw/zinc/12/57/50/490125750.db2.gz CJCMUQZBIPCLSQ-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465868922 490148430 /nfs/dbraw/zinc/14/84/30/490148430.db2.gz GTLLAQUBNCETAT-MRXNPFEDSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950510 490156331 /nfs/dbraw/zinc/15/63/31/490156331.db2.gz OVHHTSFXZKVBGV-HOTGVXAUSA-N 1 3 353.511 0.747 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950510 490156338 /nfs/dbraw/zinc/15/63/38/490156338.db2.gz OVHHTSFXZKVBGV-HOTGVXAUSA-N 1 3 353.511 0.747 20 0 FCADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608407 490169952 /nfs/dbraw/zinc/16/99/52/490169952.db2.gz XZZAEKKVRASREZ-PMACEKPBSA-N 1 3 359.470 0.196 20 0 FCADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608407 490169957 /nfs/dbraw/zinc/16/99/57/490169957.db2.gz XZZAEKKVRASREZ-PMACEKPBSA-N 1 3 359.470 0.196 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603728 490216276 /nfs/dbraw/zinc/21/62/76/490216276.db2.gz APVUMJYAYKPYEQ-PKOBYXMFSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000480603728 490216282 /nfs/dbraw/zinc/21/62/82/490216282.db2.gz APVUMJYAYKPYEQ-PKOBYXMFSA-N 1 3 354.539 0.877 20 0 FCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000507411213 490217363 /nfs/dbraw/zinc/21/73/63/490217363.db2.gz WSXJICZYNKACAW-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000507411213 490217369 /nfs/dbraw/zinc/21/73/69/490217369.db2.gz WSXJICZYNKACAW-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000521868896 490303811 /nfs/dbraw/zinc/30/38/11/490303811.db2.gz YCNWUILMMPJFCP-UHFFFAOYSA-N 1 3 360.502 0.819 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436510 490350548 /nfs/dbraw/zinc/35/05/48/490350548.db2.gz NLNNTGNYNIKZIR-IRXDYDNUSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000448436510 490350555 /nfs/dbraw/zinc/35/05/55/490350555.db2.gz NLNNTGNYNIKZIR-IRXDYDNUSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1C[C@H](C)N(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422638683 490437907 /nfs/dbraw/zinc/43/79/07/490437907.db2.gz QXEDYZSSDLJVTG-HZSPNIEDSA-N 1 3 362.478 0.129 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804355 491330528 /nfs/dbraw/zinc/33/05/28/491330528.db2.gz OMXZTDSTRXFUMH-WBVHZDCISA-N 1 3 350.507 0.633 20 0 FCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000535720682 490517645 /nfs/dbraw/zinc/51/76/45/490517645.db2.gz GFOHRJYHWQJYGR-QGZVFWFLSA-N 1 3 359.474 0.905 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500460296 490518935 /nfs/dbraw/zinc/51/89/35/490518935.db2.gz XQXHGVSRUIZQSJ-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000524465281 490539912 /nfs/dbraw/zinc/53/99/12/490539912.db2.gz QBQQGQKXUSWIKJ-HNNXBMFYSA-N 1 3 351.495 0.465 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000556796031 491337317 /nfs/dbraw/zinc/33/73/17/491337317.db2.gz TWDCVXWZZBHYNV-KRWDZBQOSA-N 1 3 368.522 0.500 20 0 FCADHO CC(C)N1CCN(CCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000501125799 490580870 /nfs/dbraw/zinc/58/08/70/490580870.db2.gz KAJSTNXFFYEZAH-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564934419 491338231 /nfs/dbraw/zinc/33/82/31/491338231.db2.gz NQFHVADTXSIXHI-KRWDZBQOSA-N 1 3 364.465 0.974 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501598653 490620582 /nfs/dbraw/zinc/62/05/82/490620582.db2.gz OGRZWBOAWYWXCQ-INIZCTEOSA-N 1 3 366.506 0.158 20 0 FCADHO CCC[C@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CCN1CCOC ZINC000501607182 490622959 /nfs/dbraw/zinc/62/29/59/490622959.db2.gz ZQWMGVYQPMJKIJ-SFHVURJKSA-N 1 3 354.539 0.973 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619630 490623882 /nfs/dbraw/zinc/62/38/82/490623882.db2.gz CQXMJFJLEKSDGB-KYJSFNMBSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619630 490623887 /nfs/dbraw/zinc/62/38/87/490623887.db2.gz CQXMJFJLEKSDGB-KYJSFNMBSA-N 1 3 362.518 0.966 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000525884469 490645724 /nfs/dbraw/zinc/64/57/24/490645724.db2.gz FEPPXNPTXMQXHA-UHFFFAOYSA-N 1 3 363.462 0.999 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000537159583 490654319 /nfs/dbraw/zinc/65/43/19/490654319.db2.gz ZWKWZUUUWNSHDD-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H]1CCN(C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000537159583 490654323 /nfs/dbraw/zinc/65/43/23/490654323.db2.gz ZWKWZUUUWNSHDD-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCC(C)CC1 ZINC000550337672 490661616 /nfs/dbraw/zinc/66/16/16/490661616.db2.gz LVFCBROKQXAKHO-HNNXBMFYSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512216026 490664905 /nfs/dbraw/zinc/66/49/05/490664905.db2.gz ABDZBQBHXLNQJT-GOSISDBHSA-N 1 3 369.554 0.550 20 0 FCADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512216026 490664911 /nfs/dbraw/zinc/66/49/11/490664911.db2.gz ABDZBQBHXLNQJT-GOSISDBHSA-N 1 3 369.554 0.550 20 0 FCADHO NS(=O)(=O)c1ccc(OCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000564989126 491344569 /nfs/dbraw/zinc/34/45/69/491344569.db2.gz RCJKPJWMIVVHQE-CQSZACIVSA-N 1 3 369.487 0.400 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000526074988 490673529 /nfs/dbraw/zinc/67/35/29/490673529.db2.gz WYFRCYWRFVPWED-KRWDZBQOSA-N 1 3 355.527 0.375 20 0 FCADHO C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000526131905 490678295 /nfs/dbraw/zinc/67/82/95/490678295.db2.gz AIKWGRKODYYYQX-CQSZACIVSA-N 1 3 364.494 0.744 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000512530021 490687193 /nfs/dbraw/zinc/68/71/93/490687193.db2.gz XTSHLLHBOODRKW-KRWDZBQOSA-N 1 3 364.490 0.845 20 0 FCADHO CC[N@@H+]1CCC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512665683 490692087 /nfs/dbraw/zinc/69/20/87/490692087.db2.gz HBMNETSBUUCCBT-KRWDZBQOSA-N 1 3 355.527 0.160 20 0 FCADHO CC[N@H+]1CCC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512665683 490692089 /nfs/dbraw/zinc/69/20/89/490692089.db2.gz HBMNETSBUUCCBT-KRWDZBQOSA-N 1 3 355.527 0.160 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000502795965 490721713 /nfs/dbraw/zinc/72/17/13/490721713.db2.gz NAOMEEQSVVCDQL-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000502795965 490721716 /nfs/dbraw/zinc/72/17/16/490721716.db2.gz NAOMEEQSVVCDQL-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000502795965 490721720 /nfs/dbraw/zinc/72/17/20/490721720.db2.gz NAOMEEQSVVCDQL-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H]1CCN(C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000502795967 490721824 /nfs/dbraw/zinc/72/18/24/490721824.db2.gz NAOMEEQSVVCDQL-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000502795967 490721826 /nfs/dbraw/zinc/72/18/26/490721826.db2.gz NAOMEEQSVVCDQL-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000502795967 490721827 /nfs/dbraw/zinc/72/18/27/490721827.db2.gz NAOMEEQSVVCDQL-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO COC(=O)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000503356376 490752643 /nfs/dbraw/zinc/75/26/43/490752643.db2.gz FTPTUMGGZHJLEO-INIZCTEOSA-N 1 3 368.478 0.128 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cn1 ZINC000514601259 490774155 /nfs/dbraw/zinc/77/41/55/490774155.db2.gz ZTUQYAXJSCLKSH-UKRRQHHQSA-N 1 3 350.467 0.407 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000514601257 490774209 /nfs/dbraw/zinc/77/42/09/490774209.db2.gz ZTUQYAXJSCLKSH-DZGCQCFKSA-N 1 3 350.467 0.407 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000514661655 490778666 /nfs/dbraw/zinc/77/86/66/490778666.db2.gz KBXPVAPWAISKMZ-GJZGRUSLSA-N 1 3 360.458 0.906 20 0 FCADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000514864586 490794182 /nfs/dbraw/zinc/79/41/82/490794182.db2.gz HSVMSWUTRPRARE-FUHWJXTLSA-N 1 3 372.517 0.978 20 0 FCADHO COCCN(C)C[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000514947259 490799702 /nfs/dbraw/zinc/79/97/02/490799702.db2.gz SSXTZRJKJQURDX-GOSISDBHSA-N 1 3 356.555 0.275 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049584 490804977 /nfs/dbraw/zinc/80/49/77/490804977.db2.gz AEXKNGIGPQMBDQ-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@]1(CO)CN(C/C=C\C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753329 490826293 /nfs/dbraw/zinc/82/62/93/490826293.db2.gz WDBFPSDKOZEPNL-DQTQQJQMSA-N 1 3 370.534 0.168 20 0 FCADHO C[C@]1(CO)CN(C/C=C\C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753329 490826295 /nfs/dbraw/zinc/82/62/95/490826295.db2.gz WDBFPSDKOZEPNL-DQTQQJQMSA-N 1 3 370.534 0.168 20 0 FCADHO COc1ccc(C[NH+](C)C)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516091232 490850112 /nfs/dbraw/zinc/85/01/12/490850112.db2.gz GCOLOIXNOXOKTA-UONOGXRCSA-N 1 3 361.446 0.533 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000557245656 491361621 /nfs/dbraw/zinc/36/16/21/491361621.db2.gz WXMSARXGJVTEKZ-HXUWFJFHSA-N 1 3 358.486 0.967 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(ccn4CCC[NH3+])c3)CCN2C1=O ZINC000565237008 491363226 /nfs/dbraw/zinc/36/32/26/491363226.db2.gz OTBPFAQCPDULII-HZPDHXFCSA-N 1 3 355.442 0.374 20 0 FCADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C(=O)NC1C[NH2+]C1 ZINC000517092548 490894911 /nfs/dbraw/zinc/89/49/11/490894911.db2.gz APUNXEIGMNCKJY-UHFFFAOYSA-N 1 3 357.458 0.245 20 0 FCADHO C[C@H]1C[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCN1C ZINC000517821311 490922479 /nfs/dbraw/zinc/92/24/79/490922479.db2.gz RRQUPTKONPAECT-JKSUJKDBSA-N 1 3 353.511 0.761 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000518134222 490931307 /nfs/dbraw/zinc/93/13/07/490931307.db2.gz JXWOLDVUXVJLNN-HNNXBMFYSA-N 1 3 361.494 0.986 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000518134222 490931309 /nfs/dbraw/zinc/93/13/09/490931309.db2.gz JXWOLDVUXVJLNN-HNNXBMFYSA-N 1 3 361.494 0.986 20 0 FCADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)NC2CNC2)C1 ZINC000557295450 491365936 /nfs/dbraw/zinc/36/59/36/491365936.db2.gz GUXMMGPNOSPQAI-HUUCEWRRSA-N 1 3 358.486 0.869 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000531233125 490947415 /nfs/dbraw/zinc/94/74/15/490947415.db2.gz UFWILTFMASOMCP-UHFFFAOYSA-N 1 3 362.478 0.877 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000519207167 490965327 /nfs/dbraw/zinc/96/53/27/490965327.db2.gz QXNNCPZZQINAFP-QGZVFWFLSA-N 1 3 357.543 0.478 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000519207166 490965397 /nfs/dbraw/zinc/96/53/97/490965397.db2.gz QXNNCPZZQINAFP-KRWDZBQOSA-N 1 3 357.543 0.478 20 0 FCADHO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC000544685790 490976658 /nfs/dbraw/zinc/97/66/58/490976658.db2.gz RJJKYTSNPGHNBM-BZUAXINKSA-N 1 3 368.547 0.435 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)O[C@H](CO)C3)CC2)CC1 ZINC000519612374 490979911 /nfs/dbraw/zinc/97/99/11/490979911.db2.gz LUNABBZHCXAPRH-YJBOKZPZSA-N 1 3 353.507 0.791 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419904 491375355 /nfs/dbraw/zinc/37/53/55/491375355.db2.gz LPFGMRVZKCZGDE-ZOWXZIJZSA-N 1 3 366.428 0.471 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419902 491375492 /nfs/dbraw/zinc/37/54/92/491375492.db2.gz LPFGMRVZKCZGDE-LALPHHSUSA-N 1 3 366.428 0.471 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000572509524 491375494 /nfs/dbraw/zinc/37/54/94/491375494.db2.gz NUDCGWQSQCBYRP-HOTGVXAUSA-N 1 3 356.511 0.402 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000572509524 491375495 /nfs/dbraw/zinc/37/54/95/491375495.db2.gz NUDCGWQSQCBYRP-HOTGVXAUSA-N 1 3 356.511 0.402 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432519 491376161 /nfs/dbraw/zinc/37/61/61/491376161.db2.gz VEVRSUYTOXLICR-KURKYZTESA-N 1 3 371.485 0.777 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CCN2C1=O ZINC000565432521 491376519 /nfs/dbraw/zinc/37/65/19/491376519.db2.gz VEVRSUYTOXLICR-KZNAEPCWSA-N 1 3 371.485 0.777 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000572527492 491376577 /nfs/dbraw/zinc/37/65/77/491376577.db2.gz YEROKRKZYBTJKY-OAHLLOKOSA-N 1 3 362.478 0.737 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(C)C1CC1 ZINC000557561598 491383265 /nfs/dbraw/zinc/38/32/65/491383265.db2.gz OHMDCVSBUPEYAC-GJZGRUSLSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000565615496 491389401 /nfs/dbraw/zinc/38/94/01/491389401.db2.gz FYHYJVCXVBQQDN-JKSUJKDBSA-N 1 3 356.511 0.450 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000565615496 491389404 /nfs/dbraw/zinc/38/94/04/491389404.db2.gz FYHYJVCXVBQQDN-JKSUJKDBSA-N 1 3 356.511 0.450 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000572762136 491392231 /nfs/dbraw/zinc/39/22/31/491392231.db2.gz DUZFBPXWDBRGPA-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO CN1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000565823300 491401391 /nfs/dbraw/zinc/40/13/91/491401391.db2.gz KFAGUVHQGXGHFK-HNNXBMFYSA-N 1 3 355.552 0.632 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000558007569 491408293 /nfs/dbraw/zinc/40/82/93/491408293.db2.gz VMNSCNPNWMLDAA-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000558007569 491408294 /nfs/dbraw/zinc/40/82/94/491408294.db2.gz VMNSCNPNWMLDAA-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000558010419 491408867 /nfs/dbraw/zinc/40/88/67/491408867.db2.gz JODAQDFGCFLQPQ-INIZCTEOSA-N 1 3 356.511 0.402 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000558010419 491408869 /nfs/dbraw/zinc/40/88/69/491408869.db2.gz JODAQDFGCFLQPQ-INIZCTEOSA-N 1 3 356.511 0.402 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000566288851 491432951 /nfs/dbraw/zinc/43/29/51/491432951.db2.gz NCURUQFPUVKXFR-OWCLPIDISA-N 1 3 364.494 0.649 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000566296931 491433625 /nfs/dbraw/zinc/43/36/25/491433625.db2.gz AACINJNCNQMGGG-KRWDZBQOSA-N 1 3 362.522 0.352 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000566396678 491440982 /nfs/dbraw/zinc/44/09/82/491440982.db2.gz FDYSPMWLZIVLNH-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000566396678 491440984 /nfs/dbraw/zinc/44/09/84/491440984.db2.gz FDYSPMWLZIVLNH-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000573793498 491455073 /nfs/dbraw/zinc/45/50/73/491455073.db2.gz XOBCZYLLGFORBR-OAHLLOKOSA-N 1 3 364.465 0.913 20 0 FCADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310681 491464020 /nfs/dbraw/zinc/46/40/20/491464020.db2.gz CJCBORPNSQJFED-FQEVSTJZSA-N 1 3 372.517 0.933 20 0 FCADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310681 491464021 /nfs/dbraw/zinc/46/40/21/491464021.db2.gz CJCBORPNSQJFED-FQEVSTJZSA-N 1 3 372.517 0.933 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000574045663 491470733 /nfs/dbraw/zinc/47/07/33/491470733.db2.gz VACMHARMULIIED-UHFFFAOYSA-N 1 3 360.462 0.329 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574179961 491479812 /nfs/dbraw/zinc/47/98/12/491479812.db2.gz AIDAUNHAHAPEOM-RCJHGTSTSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559588535 491483250 /nfs/dbraw/zinc/48/32/50/491483250.db2.gz OMRLXMBZEZDVMV-OAHLLOKOSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559588535 491483252 /nfs/dbraw/zinc/48/32/52/491483252.db2.gz OMRLXMBZEZDVMV-OAHLLOKOSA-N 1 3 350.507 0.966 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000567067002 491483673 /nfs/dbraw/zinc/48/36/73/491483673.db2.gz LMPZJNHAJAZXGW-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000567194297 491491976 /nfs/dbraw/zinc/49/19/76/491491976.db2.gz RQKKACOBIYYQEQ-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO Cc1nn(C)c(N2CCOCC2)c1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000567281762 491496821 /nfs/dbraw/zinc/49/68/21/491496821.db2.gz MWPIJCSTYBRZCV-UHFFFAOYSA-N 1 3 364.538 0.634 20 0 FCADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000567286856 491497315 /nfs/dbraw/zinc/49/73/15/491497315.db2.gz ZMJVXTBHQGLCSI-PMACEKPBSA-N 1 3 374.529 0.682 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000559763633 491497473 /nfs/dbraw/zinc/49/74/73/491497473.db2.gz QUOKPPUAGSKDIS-SJORKVTESA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000559763633 491497474 /nfs/dbraw/zinc/49/74/74/491497474.db2.gz QUOKPPUAGSKDIS-SJORKVTESA-N 1 3 352.523 0.929 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCSC1 ZINC000559868396 491506908 /nfs/dbraw/zinc/50/69/08/491506908.db2.gz QJRSTIJWRRUCQW-KRWDZBQOSA-N 1 3 356.536 0.483 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567522075 491511816 /nfs/dbraw/zinc/51/18/16/491511816.db2.gz FGOKQZCLOUVZKS-HZPDHXFCSA-N 1 3 353.511 0.603 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529275 491512149 /nfs/dbraw/zinc/51/21/49/491512149.db2.gz LXHLNYATNWMCSX-CRAIPNDOSA-N 1 3 370.563 0.778 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)NCC(C)(C)N2CCN(C)CC2)CCCO1 ZINC000683373594 493347824 /nfs/dbraw/zinc/34/78/24/493347824.db2.gz FPGFZRSRIDSXJG-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)N2CCN(C)CC2)CCCO1 ZINC000683373594 493347826 /nfs/dbraw/zinc/34/78/26/493347826.db2.gz FPGFZRSRIDSXJG-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)N3CCNCC3)CC2)CC1 ZINC000567894859 491539051 /nfs/dbraw/zinc/53/90/51/491539051.db2.gz ZEJXWYVTKOQMDJ-UHFFFAOYSA-N 1 3 351.539 0.158 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000575174431 491543771 /nfs/dbraw/zinc/54/37/71/491543771.db2.gz FFNSRWDYSRUGBY-FGTMMUONSA-N 1 3 355.523 0.691 20 0 FCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000575321354 491548634 /nfs/dbraw/zinc/54/86/34/491548634.db2.gz YLOQAPUNRUZXTA-IAGOWNOFSA-N 1 3 368.522 0.404 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000568207896 491559554 /nfs/dbraw/zinc/55/95/54/491559554.db2.gz RKDAVRYOGYKGEP-GOSISDBHSA-N 1 3 371.485 0.941 20 0 FCADHO CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)C1CC1 ZINC000561010452 491569629 /nfs/dbraw/zinc/56/96/29/491569629.db2.gz GBPWNTOUSCQEDN-UHFFFAOYSA-N 1 3 368.522 0.593 20 0 FCADHO CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)C1CC1 ZINC000561010452 491569630 /nfs/dbraw/zinc/56/96/30/491569630.db2.gz GBPWNTOUSCQEDN-UHFFFAOYSA-N 1 3 368.522 0.593 20 0 FCADHO CCN(CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000561014308 491570148 /nfs/dbraw/zinc/57/01/48/491570148.db2.gz GZTDIRISAMDYCG-UHFFFAOYSA-N 1 3 366.506 0.348 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576044286 491577756 /nfs/dbraw/zinc/57/77/56/491577756.db2.gz NZYGNCUDYKSAJE-KURKYZTESA-N 1 3 372.517 0.835 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000568501509 491580924 /nfs/dbraw/zinc/58/09/24/491580924.db2.gz PBNBKMJSSDLTEI-RHSMWYFYSA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568501509 491580927 /nfs/dbraw/zinc/58/09/27/491580927.db2.gz PBNBKMJSSDLTEI-RHSMWYFYSA-N 1 3 358.442 0.938 20 0 FCADHO O=c1onc(-c2ccccc2)n1C[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000568501509 491580930 /nfs/dbraw/zinc/58/09/30/491580930.db2.gz PBNBKMJSSDLTEI-RHSMWYFYSA-N 1 3 358.442 0.938 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000577163162 491596873 /nfs/dbraw/zinc/59/68/73/491596873.db2.gz YMWOCGHAKYLBEP-INIZCTEOSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)C[C@H](C)O1 ZINC000576330391 491605159 /nfs/dbraw/zinc/60/51/59/491605159.db2.gz MZGIZAUERARXOX-JZXOWHBKSA-N 1 3 367.538 0.421 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000568745673 491605393 /nfs/dbraw/zinc/60/53/93/491605393.db2.gz YUUNXOXHHRHSOZ-UXLLHSPISA-N 1 3 366.506 0.202 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(COC)C(=O)OC)CC2)CC1 ZINC000577230188 491605424 /nfs/dbraw/zinc/60/54/24/491605424.db2.gz JHWCFJGRASHMMX-IBGZPJMESA-N 1 3 369.506 0.877 20 0 FCADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576837914 491649196 /nfs/dbraw/zinc/64/91/96/491649196.db2.gz LPEJRUYSTMTROC-DOMZBBRYSA-N 1 3 356.426 0.878 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC2CC[NH2+]CC2)o1 ZINC000578427546 491677021 /nfs/dbraw/zinc/67/70/21/491677021.db2.gz ZFPHRBYWFJFPEY-UHFFFAOYSA-N 1 3 350.463 0.594 20 0 FCADHO O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000578497240 491678315 /nfs/dbraw/zinc/67/83/15/491678315.db2.gz IQKSYFWIOKCUJE-ROUUACIJSA-N 1 3 362.518 0.921 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579106577 491690969 /nfs/dbraw/zinc/69/09/69/491690969.db2.gz XYDCPPYULKZSAD-MRXNPFEDSA-N 1 3 354.495 0.250 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579147905 491692117 /nfs/dbraw/zinc/69/21/17/491692117.db2.gz WZWVIIQZNCHMMK-GJZGRUSLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](NC(=O)C(=O)NC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579147905 491692118 /nfs/dbraw/zinc/69/21/18/491692118.db2.gz WZWVIIQZNCHMMK-GJZGRUSLSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000579392505 491697043 /nfs/dbraw/zinc/69/70/43/491697043.db2.gz CSLMTZQDJMBMTO-SJORKVTESA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000579392505 491697044 /nfs/dbraw/zinc/69/70/44/491697044.db2.gz CSLMTZQDJMBMTO-SJORKVTESA-N 1 3 368.522 0.402 20 0 FCADHO NC[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590127 491701095 /nfs/dbraw/zinc/70/10/95/491701095.db2.gz KLWIMVAAWVSJPM-BZSNNMDCSA-N 1 3 371.485 0.476 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@H]1C[NH3+] ZINC000579607390 491701428 /nfs/dbraw/zinc/70/14/28/491701428.db2.gz WEKDRAPBBJCHHV-BRWVUGGUSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579736115 491704275 /nfs/dbraw/zinc/70/42/75/491704275.db2.gz XYRDCJKNLNEQJM-QRJUGERDSA-N 1 3 351.495 0.306 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579736115 491704276 /nfs/dbraw/zinc/70/42/76/491704276.db2.gz XYRDCJKNLNEQJM-QRJUGERDSA-N 1 3 351.495 0.306 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579736119 491704374 /nfs/dbraw/zinc/70/43/74/491704374.db2.gz XYRDCJKNLNEQJM-ZVDSWSACSA-N 1 3 351.495 0.306 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579736119 491704375 /nfs/dbraw/zinc/70/43/75/491704375.db2.gz XYRDCJKNLNEQJM-ZVDSWSACSA-N 1 3 351.495 0.306 20 0 FCADHO C[NH+](C)[C@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000580214759 491721880 /nfs/dbraw/zinc/72/18/80/491721880.db2.gz FCXWTXMBFMKKIE-OALUTQOASA-N 1 3 360.502 0.722 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000587100110 491734831 /nfs/dbraw/zinc/73/48/31/491734831.db2.gz OUUYWZDMRJSAAG-ZACQAIPSSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000587100110 491734832 /nfs/dbraw/zinc/73/48/32/491734832.db2.gz OUUYWZDMRJSAAG-ZACQAIPSSA-N 1 3 365.522 0.855 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000580710251 491742310 /nfs/dbraw/zinc/74/23/10/491742310.db2.gz XLHNCTOXXBKVOK-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580785574 491745667 /nfs/dbraw/zinc/74/56/67/491745667.db2.gz GHNXEPWEAVEGDK-HYVNUMGLSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580785574 491745669 /nfs/dbraw/zinc/74/56/69/491745669.db2.gz GHNXEPWEAVEGDK-HYVNUMGLSA-N 1 3 359.474 0.460 20 0 FCADHO CC(=O)Nc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000580812344 491746958 /nfs/dbraw/zinc/74/69/58/491746958.db2.gz ZASJOYLNKHRMAA-UHFFFAOYSA-N 1 3 363.462 0.535 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCCC1 ZINC000581724378 491784269 /nfs/dbraw/zinc/78/42/69/491784269.db2.gz ZMZJJVOYUOWBOA-OAHLLOKOSA-N 1 3 368.547 0.723 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000581839542 491787124 /nfs/dbraw/zinc/78/71/24/491787124.db2.gz LSOGUPFFAUHFSY-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582122839 491798843 /nfs/dbraw/zinc/79/88/43/491798843.db2.gz GOBRPKBXEBUKSA-IAGOWNOFSA-N 1 3 374.485 0.488 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CCCC1 ZINC000582523025 491816101 /nfs/dbraw/zinc/81/61/01/491816101.db2.gz DKCLTGLFWBVXNX-CQSZACIVSA-N 1 3 362.478 0.689 20 0 FCADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CCN2C1=O ZINC000582914924 491832354 /nfs/dbraw/zinc/83/23/54/491832354.db2.gz HNJWKQCLUHEDLR-RCCFBDPRSA-N 1 3 371.485 0.604 20 0 FCADHO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000583637172 491849236 /nfs/dbraw/zinc/84/92/36/491849236.db2.gz DPFLIGAFEABPRM-BLNMRFBMSA-N 1 3 351.495 0.462 20 0 FCADHO C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H](C)C[NH2+]1 ZINC000583637175 491849280 /nfs/dbraw/zinc/84/92/80/491849280.db2.gz DPFLIGAFEABPRM-YZDRTPDPSA-N 1 3 351.495 0.462 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(CC3CC3)C2)CC1=O ZINC000594871816 491869068 /nfs/dbraw/zinc/86/90/68/491869068.db2.gz GAEORKMDILNVQT-OKZBNKHCSA-N 1 3 362.518 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(CC3CC3)C2)CC1=O ZINC000594871816 491869070 /nfs/dbraw/zinc/86/90/70/491869070.db2.gz GAEORKMDILNVQT-OKZBNKHCSA-N 1 3 362.518 0.920 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271355 491909727 /nfs/dbraw/zinc/90/97/27/491909727.db2.gz QTQIAFXXOVLZDZ-QBPKDAKJSA-N 1 3 357.458 0.086 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000612546247 491932153 /nfs/dbraw/zinc/93/21/53/491932153.db2.gz QQRWUAKSUOSICF-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594283 491935999 /nfs/dbraw/zinc/93/59/99/491935999.db2.gz JBXXAAASMWCSCZ-QGZVFWFLSA-N 1 3 368.522 0.546 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612776357 491950163 /nfs/dbraw/zinc/95/01/63/491950163.db2.gz KFXFELJQNITOQS-QGZVFWFLSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612780001 491950258 /nfs/dbraw/zinc/95/02/58/491950258.db2.gz CJWDPRULDILPMY-KRWDZBQOSA-N 1 3 350.507 0.777 20 0 FCADHO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612919893 491958697 /nfs/dbraw/zinc/95/86/97/491958697.db2.gz ZSKJROLPRSCLSV-GDBMZVCRSA-N 1 3 361.494 0.446 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969772 491960306 /nfs/dbraw/zinc/96/03/06/491960306.db2.gz GEXGFUXHDNWZIU-HNNXBMFYSA-N 1 3 351.495 0.370 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000597226097 492023638 /nfs/dbraw/zinc/02/36/38/492023638.db2.gz QZZDPMPIOPIMCD-SJORKVTESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000597226097 492023639 /nfs/dbraw/zinc/02/36/39/492023639.db2.gz QZZDPMPIOPIMCD-SJORKVTESA-N 1 3 365.522 0.855 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604640645 492066129 /nfs/dbraw/zinc/06/61/29/492066129.db2.gz YANWOBFUNJWUQU-KRWDZBQOSA-N 1 3 355.527 0.376 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604640645 492066131 /nfs/dbraw/zinc/06/61/31/492066131.db2.gz YANWOBFUNJWUQU-KRWDZBQOSA-N 1 3 355.527 0.376 20 0 FCADHO CN1CCN(CCCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000608328148 492172794 /nfs/dbraw/zinc/17/27/94/492172794.db2.gz JBUDFQSNESPOJX-UHFFFAOYSA-N 1 3 351.499 0.594 20 0 FCADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627489215 492320213 /nfs/dbraw/zinc/32/02/13/492320213.db2.gz VIMIERHTIQWTSN-UHFFFAOYSA-N 1 3 370.538 0.827 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000642094918 492333839 /nfs/dbraw/zinc/33/38/39/492333839.db2.gz ROONYMSLJCJXOC-SQNIBIBYSA-N 1 3 358.486 0.486 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N(C)Cc1ccccc1 ZINC000642262560 492346634 /nfs/dbraw/zinc/34/66/34/492346634.db2.gz BFWHTVFCBXIRDX-BPQIPLTHSA-N 1 3 358.486 0.834 20 0 FCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634703077 492360249 /nfs/dbraw/zinc/36/02/49/492360249.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 1 3 374.529 0.800 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000654856096 492361162 /nfs/dbraw/zinc/36/11/62/492361162.db2.gz QJVODXQQHOBWRY-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642645419 492369744 /nfs/dbraw/zinc/36/97/44/492369744.db2.gz KBSYTBWUJUYBEE-OAGGEKHMSA-N 1 3 354.495 0.332 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642645038 492370284 /nfs/dbraw/zinc/37/02/84/492370284.db2.gz GCSAADZBWIDGIJ-ZACQAIPSSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000642686017 492373503 /nfs/dbraw/zinc/37/35/03/492373503.db2.gz BUIDVDYOXPDGHU-SJLPKXTDSA-N 1 3 374.485 0.454 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642732201 492382662 /nfs/dbraw/zinc/38/26/62/492382662.db2.gz YEXQVEHDSRCGQA-INIZCTEOSA-N 1 3 350.507 0.827 20 0 FCADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977116 492390795 /nfs/dbraw/zinc/39/07/95/492390795.db2.gz XYRXXKQNNADJPD-IRXDYDNUSA-N 1 3 350.507 0.827 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC000655018919 492392044 /nfs/dbraw/zinc/39/20/44/492392044.db2.gz LWZRIWOGZKRUAL-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839153 492422550 /nfs/dbraw/zinc/42/25/50/492422550.db2.gz OMYRUIIECNBOPH-KXBFYZLASA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621840365 492423369 /nfs/dbraw/zinc/42/33/69/492423369.db2.gz HSGXAZJLCSWICN-OXJNMPFZSA-N 1 3 374.485 0.583 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622014186 492440464 /nfs/dbraw/zinc/44/04/64/492440464.db2.gz ASDZHOHCYARHHN-HOCLYGCPSA-N 1 3 355.508 0.563 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635551053 492468514 /nfs/dbraw/zinc/46/85/14/492468514.db2.gz JUYPEKGADWPSPG-GOSISDBHSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635551053 492468517 /nfs/dbraw/zinc/46/85/17/492468517.db2.gz JUYPEKGADWPSPG-GOSISDBHSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635551053 492468519 /nfs/dbraw/zinc/46/85/19/492468519.db2.gz JUYPEKGADWPSPG-GOSISDBHSA-N 1 3 366.550 0.972 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000643503514 492483799 /nfs/dbraw/zinc/48/37/99/492483799.db2.gz LNUYVVJIFPJITO-GOEBONIOSA-N 1 3 352.479 0.038 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643511189 492485290 /nfs/dbraw/zinc/48/52/90/492485290.db2.gz OSAJEVNOEFEQKK-DLBZAZTESA-N 1 3 368.522 0.261 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643511190 492485301 /nfs/dbraw/zinc/48/53/01/492485301.db2.gz OSAJEVNOEFEQKK-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531756 492490769 /nfs/dbraw/zinc/49/07/69/492490769.db2.gz GHAMHPKMZARPDJ-ZWKOTPCHSA-N 1 3 358.486 0.787 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532538 492493126 /nfs/dbraw/zinc/49/31/26/492493126.db2.gz TYPJCXCTJYDZCC-FCGDIQPGSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000643532538 492493129 /nfs/dbraw/zinc/49/31/29/492493129.db2.gz TYPJCXCTJYDZCC-FCGDIQPGSA-N 1 3 370.497 0.882 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccco1 ZINC000643590318 492501925 /nfs/dbraw/zinc/50/19/25/492501925.db2.gz OHWVFFNSHNVNBH-NVXWUHKLSA-N 1 3 362.474 0.770 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649318517 492530595 /nfs/dbraw/zinc/53/05/95/492530595.db2.gz RGHRKKWFQBMTBD-QGZVFWFLSA-N 1 3 358.486 0.542 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649318516 492531270 /nfs/dbraw/zinc/53/12/70/492531270.db2.gz RGHRKKWFQBMTBD-KRWDZBQOSA-N 1 3 358.486 0.542 20 0 FCADHO COC1CC[NH+](C(C)(C)CNC(=O)CN2CCCC[C@@H](N)C2=O)CC1 ZINC000649328322 492535779 /nfs/dbraw/zinc/53/57/79/492535779.db2.gz OQHFVSCRFXPCLQ-OAHLLOKOSA-N 1 3 354.495 0.332 20 0 FCADHO O=C(NCC1(N2CCCCC2)CCOCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649333733 492536802 /nfs/dbraw/zinc/53/68/02/492536802.db2.gz SUAKJXPZNJKOMH-OAHLLOKOSA-N 1 3 362.478 0.577 20 0 FCADHO CN1CCC[C@H](N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)C1 ZINC000649352918 492546194 /nfs/dbraw/zinc/54/61/94/492546194.db2.gz UIWWDNBEVKEDOH-KRWDZBQOSA-N 1 3 360.506 0.200 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCSC1 ZINC000656299370 492576925 /nfs/dbraw/zinc/57/69/25/492576925.db2.gz RGVHJKHMBUNZJP-MPGHIAIKSA-N 1 3 368.547 0.673 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355409 492610563 /nfs/dbraw/zinc/61/05/63/492610563.db2.gz KSSCCSLICIZEHL-WCXIOVBPSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355409 492610567 /nfs/dbraw/zinc/61/05/67/492610567.db2.gz KSSCCSLICIZEHL-WCXIOVBPSA-N 1 3 350.507 0.918 20 0 FCADHO O=C(C1CCCCC1)N1CCN(CC[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629569172 492647927 /nfs/dbraw/zinc/64/79/27/492647927.db2.gz WGHRBJRJOFFGDW-LJQANCHMSA-N 1 3 366.550 0.757 20 0 FCADHO NC(=O)C1CCN(Cc2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629579483 492656457 /nfs/dbraw/zinc/65/64/57/492656457.db2.gz DJYQYDLIFBHMGF-FQEVSTJZSA-N 1 3 374.529 0.930 20 0 FCADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000624615018 492667019 /nfs/dbraw/zinc/66/70/19/492667019.db2.gz JJRSNJXEKCPCJB-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000624615018 492667022 /nfs/dbraw/zinc/66/70/22/492667022.db2.gz JJRSNJXEKCPCJB-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624787025 492684279 /nfs/dbraw/zinc/68/42/79/492684279.db2.gz OLALZXBITBMCMD-HOCLYGCPSA-N 1 3 351.495 0.765 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624787025 492684282 /nfs/dbraw/zinc/68/42/82/492684282.db2.gz OLALZXBITBMCMD-HOCLYGCPSA-N 1 3 351.495 0.765 20 0 FCADHO CCN1C[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC000651317228 492741751 /nfs/dbraw/zinc/74/17/51/492741751.db2.gz GQEKPYFKOVXHMJ-SJORKVTESA-N 1 3 367.538 0.912 20 0 FCADHO CCN1C[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC000651317228 492741755 /nfs/dbraw/zinc/74/17/55/492741755.db2.gz GQEKPYFKOVXHMJ-SJORKVTESA-N 1 3 367.538 0.912 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610943 492791289 /nfs/dbraw/zinc/79/12/89/492791289.db2.gz AEFGFURJCAYXJY-JZXOWHBKSA-N 1 3 366.506 0.582 20 0 FCADHO Cc1ncc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000637229455 492794455 /nfs/dbraw/zinc/79/44/55/492794455.db2.gz QVZBRIKACUIVNV-LBPRGKRZSA-N 1 3 355.508 0.581 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870637 492806227 /nfs/dbraw/zinc/80/62/27/492806227.db2.gz OWCDFNYTTSKBDC-KRWDZBQOSA-N 1 3 373.501 0.921 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870637 492806230 /nfs/dbraw/zinc/80/62/30/492806230.db2.gz OWCDFNYTTSKBDC-KRWDZBQOSA-N 1 3 373.501 0.921 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000657870151 492806532 /nfs/dbraw/zinc/80/65/32/492806532.db2.gz DTOHBBSFPHXJCO-UHFFFAOYSA-N 1 3 359.474 0.673 20 0 FCADHO O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000657874137 492807371 /nfs/dbraw/zinc/80/73/71/492807371.db2.gz OTDVCIUSTFTLRS-SFHVURJKSA-N 1 3 371.485 0.817 20 0 FCADHO CCN(CC)CCN(CCOC)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917888 492883413 /nfs/dbraw/zinc/88/34/13/492883413.db2.gz QQLREGKJZRQSBT-UHFFFAOYSA-N 1 3 350.529 0.205 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)nn1 ZINC000652268567 492902913 /nfs/dbraw/zinc/90/29/13/492902913.db2.gz CEPDBLMTGAWSEK-HNNXBMFYSA-N 1 3 361.425 0.881 20 0 FCADHO CN(CCN1CCN(C(=O)CN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000638099072 492904435 /nfs/dbraw/zinc/90/44/35/492904435.db2.gz FHAZIJXRKIESGL-UHFFFAOYSA-N 1 3 359.518 0.168 20 0 FCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000638108111 492907786 /nfs/dbraw/zinc/90/77/86/492907786.db2.gz LAHGQKPNDJNNBX-QFBILLFUSA-N 1 3 362.474 0.361 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000652390336 492922548 /nfs/dbraw/zinc/92/25/48/492922548.db2.gz JKJNKJNYNYEXPJ-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000632160822 492940714 /nfs/dbraw/zinc/94/07/14/492940714.db2.gz LEQLKBPHDPKQGX-QZTJIDSGSA-N 1 3 372.579 0.760 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000645786895 492974953 /nfs/dbraw/zinc/97/49/53/492974953.db2.gz IDWGFJFOAFNNEB-QZTJIDSGSA-N 1 3 358.486 0.883 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652666889 492982410 /nfs/dbraw/zinc/98/24/10/492982410.db2.gz WQLOEAZCCMQIFA-GOSISDBHSA-N 1 3 360.502 0.781 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903949 492985786 /nfs/dbraw/zinc/98/57/86/492985786.db2.gz JGDQJSSBMOPPAU-SJLPKXTDSA-N 1 3 369.473 0.817 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)C2)nn1 ZINC000638903949 492985790 /nfs/dbraw/zinc/98/57/90/492985790.db2.gz JGDQJSSBMOPPAU-SJLPKXTDSA-N 1 3 369.473 0.817 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652680924 492987987 /nfs/dbraw/zinc/98/79/87/492987987.db2.gz VIOPHWIOPUBSFK-BBWFWOEESA-N 1 3 368.522 0.579 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693220 492991886 /nfs/dbraw/zinc/99/18/86/492991886.db2.gz PPEBSOJPAZSLQL-ULQDDVLXSA-N 1 3 368.522 0.579 20 0 FCADHO CN1CCC[C@@H](N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003163 492998811 /nfs/dbraw/zinc/99/88/11/492998811.db2.gz VCVINLINPWAVDG-QZTJIDSGSA-N 1 3 360.506 0.660 20 0 FCADHO CO[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCOCC1 ZINC000639262610 493002965 /nfs/dbraw/zinc/00/29/65/493002965.db2.gz ZQXHZZSVPCAVRX-GOSISDBHSA-N 1 3 355.523 0.814 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652737499 493014351 /nfs/dbraw/zinc/01/43/51/493014351.db2.gz LXSIOIZSEMABLH-IAGOWNOFSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCNC2)C1CC[NH+](C)CC1 ZINC000626817372 493025612 /nfs/dbraw/zinc/02/56/12/493025612.db2.gz UFJDHYOUYIOWHZ-CYBMUJFWSA-N 1 3 360.458 0.954 20 0 FCADHO CN(CCN1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000653117884 493073818 /nfs/dbraw/zinc/07/38/18/493073818.db2.gz YLBMQWYWVWGRAR-IBGZPJMESA-N 1 3 361.534 0.542 20 0 FCADHO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000626980307 493074147 /nfs/dbraw/zinc/07/41/47/493074147.db2.gz QNTRRZPSQBGULB-IAGOWNOFSA-N 1 3 353.511 0.032 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1=O ZINC000653183287 493081970 /nfs/dbraw/zinc/08/19/70/493081970.db2.gz BYEZCILLXSBPSZ-YLFCFFPRSA-N 1 3 366.506 0.141 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633103395 493127229 /nfs/dbraw/zinc/12/72/29/493127229.db2.gz RHCATSFWIFYDSS-GASCZTMLSA-N 1 3 350.488 0.601 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104667 493128012 /nfs/dbraw/zinc/12/80/12/493128012.db2.gz HCSJRYLXBFIQBB-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000633104667 493128015 /nfs/dbraw/zinc/12/80/15/493128015.db2.gz HCSJRYLXBFIQBB-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000633117755 493133112 /nfs/dbraw/zinc/13/31/12/493133112.db2.gz FZMJRGKNUIBECO-NJAFHUGGSA-N 1 3 358.486 0.710 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000633117754 493133304 /nfs/dbraw/zinc/13/33/04/493133304.db2.gz FZMJRGKNUIBECO-KBAYOESNSA-N 1 3 358.486 0.710 20 0 FCADHO CCN(CCN)C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000627304079 493143160 /nfs/dbraw/zinc/14/31/60/493143160.db2.gz LCNAPSMUCSOZIH-UHFFFAOYSA-N 1 3 362.474 0.585 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCN1C ZINC000627305010 493143373 /nfs/dbraw/zinc/14/33/73/493143373.db2.gz LJDYWHOHZBYVRZ-YVECIDJPSA-N 1 3 364.412 0.571 20 0 FCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000659095311 493149721 /nfs/dbraw/zinc/14/97/21/493149721.db2.gz BOURKCSBZIYYTA-ZIAGYGMSSA-N 1 3 359.474 0.825 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc2)CC1 ZINC000659113767 493160043 /nfs/dbraw/zinc/16/00/43/493160043.db2.gz HAQUKUFHKIRHCH-OAHLLOKOSA-N 1 3 361.490 0.487 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000659113652 493160468 /nfs/dbraw/zinc/16/04/68/493160468.db2.gz XLSOXOHUZKHCSH-OAHLLOKOSA-N 1 3 373.501 0.881 20 0 FCADHO CCC[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000647091726 493161441 /nfs/dbraw/zinc/16/14/41/493161441.db2.gz FEEYVZQSTBJTDV-ARFHVFGLSA-N 1 3 351.495 0.463 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091853 493162328 /nfs/dbraw/zinc/16/23/28/493162328.db2.gz QUKDIIDFQWCOBO-YESZJQIVSA-N 1 3 363.506 0.608 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)Cn2cc(CC[NH3+])nn2)CC1 ZINC000641030511 493162952 /nfs/dbraw/zinc/16/29/52/493162952.db2.gz XUPKMWGAGPVUQI-UHFFFAOYSA-N 1 3 356.474 0.822 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627365081 493180336 /nfs/dbraw/zinc/18/03/36/493180336.db2.gz FFQWCWVMALPWID-WCQYABFASA-N 1 3 364.412 0.573 20 0 FCADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659611979 493220703 /nfs/dbraw/zinc/22/07/03/493220703.db2.gz UVMIHAGXESCJQO-IKGGRYGDSA-N 1 3 365.522 0.761 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000672697707 493235512 /nfs/dbraw/zinc/23/55/12/493235512.db2.gz WVOQZXNGEYNCHQ-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000666924833 493237773 /nfs/dbraw/zinc/23/77/73/493237773.db2.gz MBERRTQUPJMIGP-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000666924833 493237776 /nfs/dbraw/zinc/23/77/76/493237776.db2.gz MBERRTQUPJMIGP-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C ZINC000659678411 493247494 /nfs/dbraw/zinc/24/74/94/493247494.db2.gz MDUHPLNMBXYWLB-HYVNUMGLSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000672854797 493259029 /nfs/dbraw/zinc/25/90/29/493259029.db2.gz KWXQBURMNOILTM-MRXNPFEDSA-N 1 3 367.538 0.118 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659711972 493267688 /nfs/dbraw/zinc/26/76/88/493267688.db2.gz DWGDMXIECJTUDV-UHFFFAOYSA-N 1 3 361.490 0.526 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659712070 493267749 /nfs/dbraw/zinc/26/77/49/493267749.db2.gz CRJXEPZCPZRRPW-SFHVURJKSA-N 1 3 373.501 0.668 20 0 FCADHO Cc1cc(NC(=O)C(=O)NCC2CC[NH2+]CC2)ccc1OCCN(C)C ZINC000667240023 493267875 /nfs/dbraw/zinc/26/78/75/493267875.db2.gz IZDYIYOVFFYCPL-UHFFFAOYSA-N 1 3 362.474 0.990 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718564 493270201 /nfs/dbraw/zinc/27/02/01/493270201.db2.gz RGGHYFIEBBDOAV-CJNGLKHVSA-N 1 3 366.506 0.454 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659728506 493275267 /nfs/dbraw/zinc/27/52/67/493275267.db2.gz JSVHEIFWGUNURH-YJBOKZPZSA-N 1 3 373.501 0.606 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659729352 493275886 /nfs/dbraw/zinc/27/58/86/493275886.db2.gz QZLQMFDPYXOBTA-CABCVRRESA-N 1 3 361.490 0.652 20 0 FCADHO C[C@@H](NC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C1CC[NH+](C)CC1 ZINC000682193435 493276732 /nfs/dbraw/zinc/27/67/32/493276732.db2.gz UKPXRJCJZMWHKG-CYBMUJFWSA-N 1 3 350.467 0.230 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659735036 493278695 /nfs/dbraw/zinc/27/86/95/493278695.db2.gz CITSUUIHWWZHSS-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659739285 493280505 /nfs/dbraw/zinc/28/05/05/493280505.db2.gz QHMSZYYUYLEBPA-BPUTZDHNSA-N 1 3 352.479 0.084 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000667538627 493289198 /nfs/dbraw/zinc/28/91/98/493289198.db2.gz JAHPPAHRWYBURO-WMLDXEAASA-N 1 3 360.458 0.776 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660055082 493320279 /nfs/dbraw/zinc/32/02/79/493320279.db2.gz CEAPBTJQLGOZRM-GVDBMIGSSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668548018 493374221 /nfs/dbraw/zinc/37/42/21/493374221.db2.gz DFWIQYPRCJBVSH-HOTGVXAUSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668548018 493374224 /nfs/dbraw/zinc/37/42/24/493374224.db2.gz DFWIQYPRCJBVSH-HOTGVXAUSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000668584451 493379455 /nfs/dbraw/zinc/37/94/55/493379455.db2.gz CULXDOTYPZZEPT-ULQDDVLXSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000668584451 493379457 /nfs/dbraw/zinc/37/94/57/493379457.db2.gz CULXDOTYPZZEPT-ULQDDVLXSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585542 493380309 /nfs/dbraw/zinc/38/03/09/493380309.db2.gz PPDZMJIJHARBRY-IKGGRYGDSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668585542 493380312 /nfs/dbraw/zinc/38/03/12/493380312.db2.gz PPDZMJIJHARBRY-IKGGRYGDSA-N 1 3 364.490 0.099 20 0 FCADHO CCN1CCC(NC(=O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000661082805 493407564 /nfs/dbraw/zinc/40/75/64/493407564.db2.gz DEXIJEWFHUPRQP-GOSISDBHSA-N 1 3 353.507 0.744 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668777298 493408819 /nfs/dbraw/zinc/40/88/19/493408819.db2.gz USJRVBBIALVYSU-GDBMZVCRSA-N 1 3 354.495 0.202 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668777298 493408821 /nfs/dbraw/zinc/40/88/21/493408821.db2.gz USJRVBBIALVYSU-GDBMZVCRSA-N 1 3 354.495 0.202 20 0 FCADHO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000685131250 493450382 /nfs/dbraw/zinc/45/03/82/493450382.db2.gz GDSGBIFVVWIYPE-UHFFFAOYSA-N 1 3 373.461 0.206 20 0 FCADHO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000685131250 493450384 /nfs/dbraw/zinc/45/03/84/493450384.db2.gz GDSGBIFVVWIYPE-UHFFFAOYSA-N 1 3 373.461 0.206 20 0 FCADHO CN(CCCNC(=O)C(=O)Nc1ccnn1-c1ccncc1)CC[NH+](C)C ZINC000685131250 493450386 /nfs/dbraw/zinc/45/03/86/493450386.db2.gz GDSGBIFVVWIYPE-UHFFFAOYSA-N 1 3 373.461 0.206 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306593 493473516 /nfs/dbraw/zinc/47/35/16/493473516.db2.gz GXJSTRIOCWUWLQ-PBHICJAKSA-N 1 3 357.458 0.329 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685520297 493501149 /nfs/dbraw/zinc/50/11/49/493501149.db2.gz BTBFFMVCADNXAV-QGZVFWFLSA-N 1 3 373.501 0.967 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295937 493504323 /nfs/dbraw/zinc/50/43/23/493504323.db2.gz JDTWGECYOIRWKI-QAPCUYQASA-N 1 3 350.507 0.777 20 0 FCADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000662296753 493504715 /nfs/dbraw/zinc/50/47/15/493504715.db2.gz MZMWYEULZQUNEK-SFHVURJKSA-N 1 3 362.518 0.779 20 0 FCADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685647947 493507864 /nfs/dbraw/zinc/50/78/64/493507864.db2.gz GUWTYGNMAREYOE-MRXNPFEDSA-N 1 3 353.488 0.758 20 0 FCADHO CN1CCN(CCCNC(=O)c2cn(CC[NH3+])nn2)[C@H](c2ccccc2)C1 ZINC000662382884 493511115 /nfs/dbraw/zinc/51/11/15/493511115.db2.gz CYGSERJGQYHXJK-SFHVURJKSA-N 1 3 371.489 0.345 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662715629 493534406 /nfs/dbraw/zinc/53/44/06/493534406.db2.gz LAFGFKDWFJVZTE-OAHLLOKOSA-N 1 3 362.396 0.295 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000662755541 493539310 /nfs/dbraw/zinc/53/93/10/493539310.db2.gz CYWZHUSVPFWKAC-QRVBRYPASA-N 1 3 360.502 0.845 20 0 FCADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000662758783 493539862 /nfs/dbraw/zinc/53/98/62/493539862.db2.gz TUJDNNADCIZWAU-RTBURBONSA-N 1 3 360.502 0.674 20 0 FCADHO CC1(C)NC(=O)CC[C@H]1NCC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)COC1 ZINC000670101964 493545422 /nfs/dbraw/zinc/54/54/22/493545422.db2.gz HZJDDRQNIAGPFK-OKILXGFUSA-N 1 3 366.506 0.297 20 0 FCADHO CC1(C)NC(=O)CC[C@H]1[NH2+]CC1(CN[C@H]2CCC(=O)NC2(C)C)COC1 ZINC000670101964 493545425 /nfs/dbraw/zinc/54/54/25/493545425.db2.gz HZJDDRQNIAGPFK-OKILXGFUSA-N 1 3 366.506 0.297 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000670509457 493576222 /nfs/dbraw/zinc/57/62/22/493576222.db2.gz BYJVOVXMTBPOKM-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000670983495 493619271 /nfs/dbraw/zinc/61/92/71/493619271.db2.gz ITNGWNXITZHPMY-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000670984503 493619506 /nfs/dbraw/zinc/61/95/06/493619506.db2.gz MYDYFULBNYEHSG-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO COc1ccc(C)cc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000671139461 493642291 /nfs/dbraw/zinc/64/22/91/493642291.db2.gz FOWMDYMGHRLNIP-UHFFFAOYSA-N 1 3 364.490 0.572 20 0 FCADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H]1O ZINC000664475734 493662278 /nfs/dbraw/zinc/66/22/78/493662278.db2.gz TZFAKYIPXVYQFC-TWMKSMIVSA-N 1 3 354.495 0.071 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671404581 493666872 /nfs/dbraw/zinc/66/68/72/493666872.db2.gz NUKXQTMBTYXDRE-SJORKVTESA-N 1 3 373.501 0.967 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000665271273 493708032 /nfs/dbraw/zinc/70/80/32/493708032.db2.gz KNGSOEKUZSDMIA-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665271273 493708034 /nfs/dbraw/zinc/70/80/34/493708034.db2.gz KNGSOEKUZSDMIA-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000665461221 493715971 /nfs/dbraw/zinc/71/59/71/493715971.db2.gz GZKDLLYJDRGRBK-ZWKOTPCHSA-N 1 3 366.506 0.338 20 0 FCADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CN(C)CCO1 ZINC000681216639 493750958 /nfs/dbraw/zinc/75/09/58/493750958.db2.gz IFQNZCVTBIXCDD-SZMVWBNQSA-N 1 3 367.538 0.515 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304756 493751658 /nfs/dbraw/zinc/75/16/58/493751658.db2.gz JITJHQNYUDNULW-ZWKOTPCHSA-N 1 3 362.518 0.777 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304756 493751660 /nfs/dbraw/zinc/75/16/60/493751660.db2.gz JITJHQNYUDNULW-ZWKOTPCHSA-N 1 3 362.518 0.777 20 0 FCADHO CC(C)(CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C[NH+]1CCCC1 ZINC000672311184 493754842 /nfs/dbraw/zinc/75/48/42/493754842.db2.gz ZNRVCMLNEDZXBK-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000666152415 493760448 /nfs/dbraw/zinc/76/04/48/493760448.db2.gz XCMFJPPUULPQFJ-LJQANCHMSA-N 1 3 361.490 0.659 20 0 FCADHO C[N@H+]1CC[C@@](O)(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000666152415 493760449 /nfs/dbraw/zinc/76/04/49/493760449.db2.gz XCMFJPPUULPQFJ-LJQANCHMSA-N 1 3 361.490 0.659 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410471516 528147634 /nfs/dbraw/zinc/14/76/34/528147634.db2.gz QJLGGYKEVFNWLV-SJORKVTESA-N 1 3 368.522 0.498 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413591981 528825823 /nfs/dbraw/zinc/82/58/23/528825823.db2.gz VTEOFMAWMNEGBA-QGZVFWFLSA-N 1 3 369.554 0.811 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413591981 528825825 /nfs/dbraw/zinc/82/58/25/528825825.db2.gz VTEOFMAWMNEGBA-QGZVFWFLSA-N 1 3 369.554 0.811 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423504850 535063275 /nfs/dbraw/zinc/06/32/75/535063275.db2.gz LDRFWFUDOPPRDQ-DLBZAZTESA-N 1 3 364.465 0.877 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419908855 535159762 /nfs/dbraw/zinc/15/97/62/535159762.db2.gz JYRZSZYIAIYNIC-IYBDPMFKSA-N 1 3 368.522 0.450 20 0 FCADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419231478 535193793 /nfs/dbraw/zinc/19/37/93/535193793.db2.gz RWVFHBXXKBSCOW-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419284164 535219059 /nfs/dbraw/zinc/21/90/59/535219059.db2.gz KJVIMXBMVILQNO-SJORKVTESA-N 1 3 368.522 0.579 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419761646 535297067 /nfs/dbraw/zinc/29/70/67/535297067.db2.gz KUSCZFUAJGKZDF-IRXDYDNUSA-N 1 3 368.522 0.579 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419761127 535297648 /nfs/dbraw/zinc/29/76/48/535297648.db2.gz JTOBNLWTSNVMMH-IRXDYDNUSA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419587896 535501572 /nfs/dbraw/zinc/50/15/72/535501572.db2.gz NWUGHCMWPULJHW-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423522845 535572292 /nfs/dbraw/zinc/57/22/92/535572292.db2.gz HSNTUEYFDLZHOD-ZWKOTPCHSA-N 1 3 360.502 0.863 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419945036 535594821 /nfs/dbraw/zinc/59/48/21/535594821.db2.gz BWPMGHCGVNXXCN-RDJZCZTQSA-N 1 3 361.490 0.606 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389427 535669699 /nfs/dbraw/zinc/66/96/99/535669699.db2.gz HOSUERYUTYJNAT-MSOLQXFVSA-N 1 3 360.502 0.863 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419824363 535709442 /nfs/dbraw/zinc/70/94/42/535709442.db2.gz MRAUMLQYQBEXPK-IKGGRYGDSA-N 1 3 367.538 0.010 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419835894 535709468 /nfs/dbraw/zinc/70/94/68/535709468.db2.gz VHJKTQLUHNHBGM-OAHLLOKOSA-N 1 3 355.527 0.010 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419822490 535709652 /nfs/dbraw/zinc/70/96/52/535709652.db2.gz LOMDWFVHSODTAN-IKGGRYGDSA-N 1 3 367.538 0.105 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419822489 535710036 /nfs/dbraw/zinc/71/00/36/535710036.db2.gz LOMDWFVHSODTAN-BRWVUGGUSA-N 1 3 367.538 0.105 20 0 FCADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCC[NH3+] ZINC000419841009 535862817 /nfs/dbraw/zinc/86/28/17/535862817.db2.gz STYZPLZYPWYZNB-UHFFFAOYSA-N 1 3 360.380 0.671 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419937383 535863164 /nfs/dbraw/zinc/86/31/64/535863164.db2.gz NIOBXTATQNQLHU-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423366087 535865739 /nfs/dbraw/zinc/86/57/39/535865739.db2.gz LFYRZQAOHDYJSP-HNNXBMFYSA-N 1 3 350.463 0.757 20 0 FCADHO CN1CCN(c2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cn2)CC1 ZINC000423718467 536422229 /nfs/dbraw/zinc/42/22/29/536422229.db2.gz BCNUSRIGVBVGND-UHFFFAOYSA-N 1 3 360.506 0.975 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419753635 536747132 /nfs/dbraw/zinc/74/71/32/536747132.db2.gz OAXSKUWFHUDGSW-MRXNPFEDSA-N 1 3 370.538 0.824 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000419757556 536747356 /nfs/dbraw/zinc/74/73/56/536747356.db2.gz UQAQSDDUTYGJIH-LSDHHAIUSA-N 1 3 368.522 0.578 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419757554 536747397 /nfs/dbraw/zinc/74/73/97/536747397.db2.gz UQAQSDDUTYGJIH-HUUCEWRRSA-N 1 3 368.522 0.578 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423267131 536840645 /nfs/dbraw/zinc/84/06/45/536840645.db2.gz SUHODSJPBXNSLG-MRXNPFEDSA-N 1 3 368.522 0.260 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424503134 536857288 /nfs/dbraw/zinc/85/72/88/536857288.db2.gz HNHBZRVXDLXVCZ-OAHLLOKOSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000550653520 547095103 /nfs/dbraw/zinc/09/51/03/547095103.db2.gz KMSVYXWLYCCVLH-OAHLLOKOSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC000550843530 547111046 /nfs/dbraw/zinc/11/10/46/547111046.db2.gz TUVYSOVACURGEA-SFHVURJKSA-N 1 3 370.563 0.919 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000551332786 547142275 /nfs/dbraw/zinc/14/22/75/547142275.db2.gz QKHLCGVVJYJSCX-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000551332786 547142278 /nfs/dbraw/zinc/14/22/78/547142278.db2.gz QKHLCGVVJYJSCX-INIZCTEOSA-N 1 3 354.495 0.158 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000553686782 547300294 /nfs/dbraw/zinc/30/02/94/547300294.db2.gz JZEOZXPBSZROJF-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000553686782 547300299 /nfs/dbraw/zinc/30/02/99/547300299.db2.gz JZEOZXPBSZROJF-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000475723657 547334615 /nfs/dbraw/zinc/33/46/15/547334615.db2.gz PWSHROFIEFHUGT-AKHDSKFASA-N 1 3 357.539 0.889 20 0 FCADHO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821351864 606635100 /nfs/dbraw/zinc/63/51/00/606635100.db2.gz VYBLMVTWHBSSNI-OAHLLOKOSA-N 1 3 358.450 0.961 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821351059 606635117 /nfs/dbraw/zinc/63/51/17/606635117.db2.gz JTTOTZVOPZIADO-STQMWFEESA-N 1 3 363.470 0.051 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821351059 606635118 /nfs/dbraw/zinc/63/51/18/606635118.db2.gz JTTOTZVOPZIADO-STQMWFEESA-N 1 3 363.470 0.051 20 0 FCADHO COCCN1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891440305 663393472 /nfs/dbraw/zinc/39/34/72/663393472.db2.gz XFLOPDBDCUZUMP-DGCLKSJQSA-N 1 3 352.401 0.876 20 0 FCADHO COCCN1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891440304 663393548 /nfs/dbraw/zinc/39/35/48/663393548.db2.gz XFLOPDBDCUZUMP-AAEUAGOBSA-N 1 3 352.401 0.876 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891483845 663408931 /nfs/dbraw/zinc/40/89/31/663408931.db2.gz RZJZCVQUCIKOHM-OAGGEKHMSA-N 1 3 351.495 0.465 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1C(F)(F)F ZINC000891513854 663410810 /nfs/dbraw/zinc/41/08/10/663410810.db2.gz IALMBCGLEWTSHY-XQHKEYJVSA-N 1 3 350.385 0.628 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC000972993146 664038807 /nfs/dbraw/zinc/03/88/07/664038807.db2.gz YHKXZBSAHGPTLN-IXDOHACOSA-N 1 3 350.507 0.728 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCCN(CCCO)C1 ZINC000892758053 664137509 /nfs/dbraw/zinc/13/75/09/664137509.db2.gz GWTNHTDGQWAKTE-CVEARBPZSA-N 1 3 354.495 0.291 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000892920550 664154411 /nfs/dbraw/zinc/15/44/11/664154411.db2.gz WFVGHWBKXWHORK-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC000977796498 664424347 /nfs/dbraw/zinc/42/43/47/664424347.db2.gz CPZOYRJALDLXEE-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC000977796498 664424349 /nfs/dbraw/zinc/42/43/49/664424349.db2.gz CPZOYRJALDLXEE-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000888169350 665284899 /nfs/dbraw/zinc/28/48/99/665284899.db2.gz HNDPEGRIPHFEAK-HOTGVXAUSA-N 1 3 353.511 0.868 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000888169350 665284900 /nfs/dbraw/zinc/28/49/00/665284900.db2.gz HNDPEGRIPHFEAK-HOTGVXAUSA-N 1 3 353.511 0.868 20 0 FCADHO CC(C)N1CC[NH+](CCC(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000907837698 666165345 /nfs/dbraw/zinc/16/53/45/666165345.db2.gz VOWWBJGJSYHAEN-UHFFFAOYSA-N 1 3 354.539 0.972 20 0 FCADHO C[NH+]1CCC(N(CCO)C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000911939513 666383672 /nfs/dbraw/zinc/38/36/72/666383672.db2.gz VOTOMKUOVPXCLT-UHFFFAOYSA-N 1 3 353.507 0.937 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)CC[N@@H+]1C ZINC000991492670 666539460 /nfs/dbraw/zinc/53/94/60/666539460.db2.gz OKPTUEBRXOFDSU-BBWFWOEESA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)CC[N@H+]1C ZINC000991492670 666539467 /nfs/dbraw/zinc/53/94/67/666539467.db2.gz OKPTUEBRXOFDSU-BBWFWOEESA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@H](C(=O)N1CC2CN(C(=O)[C@@H](CC)[NH+](C)C)CC2(C)C1)N(C)C ZINC000993072752 666779105 /nfs/dbraw/zinc/77/91/05/666779105.db2.gz NDJBWXBIWOTNIW-BWRBCVJASA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000944029847 666813487 /nfs/dbraw/zinc/81/34/87/666813487.db2.gz BAVKJHHEFOGKJC-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000944029847 666813491 /nfs/dbraw/zinc/81/34/91/666813491.db2.gz BAVKJHHEFOGKJC-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994031512 666959010 /nfs/dbraw/zinc/95/90/10/666959010.db2.gz IJTRVLUHWSLAAJ-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994031512 666959013 /nfs/dbraw/zinc/95/90/13/666959013.db2.gz IJTRVLUHWSLAAJ-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)N(C)C ZINC000997872924 667178491 /nfs/dbraw/zinc/17/84/91/667178491.db2.gz YLRWSBPSBVSJMR-TWMKSMIVSA-N 1 3 350.507 0.917 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC001002262068 667527798 /nfs/dbraw/zinc/52/77/98/667527798.db2.gz BYBFSZVFXMJHMX-BBWFWOEESA-N 1 3 350.507 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC001002262068 667527802 /nfs/dbraw/zinc/52/78/02/667527802.db2.gz BYBFSZVFXMJHMX-BBWFWOEESA-N 1 3 350.507 0.632 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCCCN(CCO)C2)CC1 ZINC001034209094 667749285 /nfs/dbraw/zinc/74/92/85/667749285.db2.gz GUKWFLXPDNGHOF-KSZLIROESA-N 1 3 353.507 0.696 20 0 FCADHO COc1cc(CNC(=O)CN2CC[C@H](CC[NH3+])C2)cc(OC)c1OC ZINC000923486008 667840543 /nfs/dbraw/zinc/84/05/43/667840543.db2.gz AWJLWODCKDDJDE-ZDUSSCGKSA-N 1 3 351.447 0.999 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001006183434 667856321 /nfs/dbraw/zinc/85/63/21/667856321.db2.gz KNRJVYPUJMZVTF-BHYGNILZSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001006183434 667856326 /nfs/dbraw/zinc/85/63/26/667856326.db2.gz KNRJVYPUJMZVTF-BHYGNILZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000788484823 668829849 /nfs/dbraw/zinc/82/98/49/668829849.db2.gz PFFLAHDSFCCDBM-HNNXBMFYSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCCCC1 ZINC000793701412 668942892 /nfs/dbraw/zinc/94/28/92/668942892.db2.gz QDZIBTHXHOUCIN-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000817287128 670006355 /nfs/dbraw/zinc/00/63/55/670006355.db2.gz KLWPIEUREKOELL-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO CCN1CCC([N@H+]2CCCN(CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000817287128 670006357 /nfs/dbraw/zinc/00/63/57/670006357.db2.gz KLWPIEUREKOELL-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO COC(=O)CC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCOCC1 ZINC000843389212 670811501 /nfs/dbraw/zinc/81/15/01/670811501.db2.gz UFJPYAQBYCSGME-ROUUACIJSA-N 1 3 350.459 0.961 20 0 FCADHO COC(=O)CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCOCC1 ZINC000843389212 670811507 /nfs/dbraw/zinc/81/15/07/670811507.db2.gz UFJPYAQBYCSGME-ROUUACIJSA-N 1 3 350.459 0.961 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(=O)N(C)C[C@@H]3C)CC2)CC1 ZINC000847851071 671230412 /nfs/dbraw/zinc/23/04/12/671230412.db2.gz VESIWSZPLVPCNV-HNNXBMFYSA-N 1 3 350.507 0.872 20 0 FCADHO CCS(=O)(=O)NCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849057906 671316334 /nfs/dbraw/zinc/31/63/34/671316334.db2.gz ALTRPCOHWSXIAX-UHFFFAOYSA-N 1 3 367.519 0.704 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000850748920 671406969 /nfs/dbraw/zinc/40/69/69/671406969.db2.gz LJGHWLSRHOAIQS-UHFFFAOYSA-N 1 3 351.451 0.508 20 0 FCADHO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2c(s1)CCNC2 ZINC000864335681 672191025 /nfs/dbraw/zinc/19/10/25/672191025.db2.gz VINIZLSVIILYAT-DYVFJYSZSA-N 1 3 362.499 0.770 20 0 FCADHO CN1CCN(C2CCN(C(=S)NCC3CC[NH+](C)CC3)CC2)CC1 ZINC000865268008 672236153 /nfs/dbraw/zinc/23/61/53/672236153.db2.gz ZMFDJQNRJHXHOT-UHFFFAOYSA-N 1 3 353.580 0.915 20 0 FCADHO CN(C)CC[NH+]1CCC(CNCc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865451168 672243152 /nfs/dbraw/zinc/24/31/52/672243152.db2.gz KBQYFHAIKDBYMI-GOSISDBHSA-N 1 3 350.511 0.820 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923625483 672521751 /nfs/dbraw/zinc/52/17/51/672521751.db2.gz PHWYJQOCBYLHQW-UHFFFAOYSA-N 1 3 360.446 0.733 20 0 FCADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873328926 672714130 /nfs/dbraw/zinc/71/41/30/672714130.db2.gz RWLCEPOYFRSCGZ-AWEZNQCLSA-N 1 3 350.467 0.725 20 0 FCADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050525407 676085407 /nfs/dbraw/zinc/08/54/07/676085407.db2.gz WPQUBIWNVNFUNK-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050525407 676085409 /nfs/dbraw/zinc/08/54/09/676085409.db2.gz WPQUBIWNVNFUNK-BZUAXINKSA-N 1 3 350.507 0.728 20 0 FCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000879249469 673107251 /nfs/dbraw/zinc/10/72/51/673107251.db2.gz QTFITSQLMCHQNV-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000130603728 673362076 /nfs/dbraw/zinc/36/20/76/673362076.db2.gz BXFDSJBNSCVDBV-UHFFFAOYSA-N 1 3 350.467 0.183 20 0 FCADHO COCC[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000884235740 673441033 /nfs/dbraw/zinc/44/10/33/673441033.db2.gz CMONCFQNFRJBPB-KRWDZBQOSA-N 1 3 350.463 0.615 20 0 FCADHO CN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1(C[NH3+])CCCCC1 ZINC000884560395 673462344 /nfs/dbraw/zinc/46/23/44/673462344.db2.gz WULPOIOTZSLCFG-LSDHHAIUSA-N 1 3 352.479 0.086 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884577903 673463670 /nfs/dbraw/zinc/46/36/70/673463670.db2.gz OGHOASIVFYVTME-VQIMIIECSA-N 1 3 350.507 0.969 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000884787459 673482359 /nfs/dbraw/zinc/48/23/59/673482359.db2.gz SJOTWGCHHHPDCH-GRYCIOLGSA-N 1 3 350.385 0.183 20 0 FCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000884973705 673494633 /nfs/dbraw/zinc/49/46/33/673494633.db2.gz CTUQEFBYXJLDFA-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1C[N@H+](CCCN2C(=O)N[C@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741573 673762415 /nfs/dbraw/zinc/76/24/15/673762415.db2.gz GJABVUTYYNQTNS-HZPDHXFCSA-N 1 3 352.479 0.894 20 0 FCADHO C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741573 673762416 /nfs/dbraw/zinc/76/24/16/673762416.db2.gz GJABVUTYYNQTNS-HZPDHXFCSA-N 1 3 352.479 0.894 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926380091 673827997 /nfs/dbraw/zinc/82/79/97/673827997.db2.gz KVMPBLNZNIJJEJ-AWEZNQCLSA-N 1 3 352.504 0.836 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001046329257 675708874 /nfs/dbraw/zinc/70/88/74/675708874.db2.gz NGLLWLGMUNREAA-GPMSIDNRSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001046329257 675708876 /nfs/dbraw/zinc/70/88/76/675708876.db2.gz NGLLWLGMUNREAA-GPMSIDNRSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703867 1170108111 /nfs/dbraw/zinc/10/81/11/1170108111.db2.gz PCBCNWKDYPZELO-BFHYXJOUSA-N 1 3 369.510 0.387 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001266703867 1170108116 /nfs/dbraw/zinc/10/81/16/1170108116.db2.gz PCBCNWKDYPZELO-BFHYXJOUSA-N 1 3 369.510 0.387 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001022219326 1170767697 /nfs/dbraw/zinc/76/76/97/1170767697.db2.gz QTINZSFSRRLUJP-BBWFWOEESA-N 1 3 360.502 0.482 20 0 FCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC001691229993 1170874983 /nfs/dbraw/zinc/87/49/83/1170874983.db2.gz OGMXPDHRDILCQF-LSDHHAIUSA-N 1 3 364.490 0.494 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](OCC)C1 ZINC001691335326 1171134024 /nfs/dbraw/zinc/13/40/24/1171134024.db2.gz BCLOYKQBEHUYED-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001022720015 1171811970 /nfs/dbraw/zinc/81/19/70/1171811970.db2.gz DXDFGQSCAAIENZ-YESZJQIVSA-N 1 3 360.502 0.483 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892452396 1181041280 /nfs/dbraw/zinc/04/12/80/1181041280.db2.gz ORYRJJNOJWUJKW-UHFFFAOYSA-N 1 3 363.506 0.868 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)C2)C1 ZINC000892520711 1181713496 /nfs/dbraw/zinc/71/34/96/1181713496.db2.gz RYXQHOMMHSOYEP-IBGZPJMESA-N 1 3 369.473 0.963 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cccc(-n4cc(CN)nn4)c3)C2)C1 ZINC000892520711 1181713501 /nfs/dbraw/zinc/71/35/01/1181713501.db2.gz RYXQHOMMHSOYEP-IBGZPJMESA-N 1 3 369.473 0.963 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)N(C)C ZINC000972992143 1181856565 /nfs/dbraw/zinc/85/65/65/1181856565.db2.gz JPPCAFZZLXDDQI-KURKYZTESA-N 1 3 364.534 0.974 20 0 FCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC000972994503 1181865411 /nfs/dbraw/zinc/86/54/11/1181865411.db2.gz LKPCHNXEKQKPAM-KZNAEPCWSA-N 1 3 362.518 0.728 20 0 FCADHO Cc1cc(NC(=O)CNCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001104621606 1182291724 /nfs/dbraw/zinc/29/17/24/1182291724.db2.gz IFXDJAPDZHWOBL-UKRRQHHQSA-N 1 3 365.478 0.947 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001104679140 1182360120 /nfs/dbraw/zinc/36/01/20/1182360120.db2.gz GVAPADGYAPGEBM-GVDBMIGSSA-N 1 3 365.522 0.428 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001104680921 1182362338 /nfs/dbraw/zinc/36/23/38/1182362338.db2.gz ZHHQDHOXJYWPJX-JFIYKMOQSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765441 1182485130 /nfs/dbraw/zinc/48/51/30/1182485130.db2.gz CALVRSMGYSFVDK-SJORKVTESA-N 1 3 367.538 0.470 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001691766612 1183243588 /nfs/dbraw/zinc/24/35/88/1183243588.db2.gz XVPWIQHIQQKXHS-RRFJBIMHSA-N 1 3 356.511 0.291 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC000974583214 1183362448 /nfs/dbraw/zinc/36/24/48/1183362448.db2.gz HAAIRTRXVLVNEP-BRWVUGGUSA-N 1 3 362.518 0.728 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211740 1183774777 /nfs/dbraw/zinc/77/47/77/1183774777.db2.gz RVHREGZCQOGHHB-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211740 1183774785 /nfs/dbraw/zinc/77/47/85/1183774785.db2.gz RVHREGZCQOGHHB-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000975408396 1183859098 /nfs/dbraw/zinc/85/90/98/1183859098.db2.gz DEPDPOYVCFJJEK-GDBMZVCRSA-N 1 3 357.458 0.640 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976109681 1185887195 /nfs/dbraw/zinc/88/71/95/1185887195.db2.gz KLHMWUZZPAVPBK-ZOBUZTSGSA-N 1 3 359.474 0.743 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@@H]32)C1 ZINC000976109681 1185887198 /nfs/dbraw/zinc/88/71/98/1185887198.db2.gz KLHMWUZZPAVPBK-ZOBUZTSGSA-N 1 3 359.474 0.743 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC3(C2)CCCN(CCO)C3)CC1 ZINC000981774682 1186515819 /nfs/dbraw/zinc/51/58/19/1186515819.db2.gz FVZFSFVBRQZONH-MSOLQXFVSA-N 1 3 365.518 0.650 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000398086379 1188029537 /nfs/dbraw/zinc/02/95/37/1188029537.db2.gz ULFHIDOPIYZKKN-PVAVHDDUSA-N 1 3 367.515 0.775 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000550372597 1188343191 /nfs/dbraw/zinc/34/31/91/1188343191.db2.gz NKHTTZBJQMCXSE-UHFFFAOYSA-N 1 3 367.538 0.118 20 0 FCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000984123963 1189481597 /nfs/dbraw/zinc/48/15/97/1189481597.db2.gz UPGMQFCGGFZUMV-ZBFHGGJFSA-N 1 3 359.474 0.791 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087797605 1189828031 /nfs/dbraw/zinc/82/80/31/1189828031.db2.gz YGVYDMCSWRYAMS-HRCADAONSA-N 1 3 364.490 0.446 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087797605 1189828032 /nfs/dbraw/zinc/82/80/32/1189828032.db2.gz YGVYDMCSWRYAMS-HRCADAONSA-N 1 3 364.490 0.446 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895851935 1189888070 /nfs/dbraw/zinc/88/80/70/1189888070.db2.gz ZVHGOCDERJUIFW-SQNIBIBYSA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895851935 1189888074 /nfs/dbraw/zinc/88/80/74/1189888074.db2.gz ZVHGOCDERJUIFW-SQNIBIBYSA-N 1 3 366.506 0.480 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001087908545 1189894400 /nfs/dbraw/zinc/89/44/00/1189894400.db2.gz FUFOFCRNOGVVQE-FGTMMUONSA-N 1 3 358.486 0.760 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001087908545 1189894404 /nfs/dbraw/zinc/89/44/04/1189894404.db2.gz FUFOFCRNOGVVQE-FGTMMUONSA-N 1 3 358.486 0.760 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)N(C)C ZINC001088110221 1190600846 /nfs/dbraw/zinc/60/08/46/1190600846.db2.gz QXSOTEOGDDTKIF-PMPSAXMXSA-N 1 3 364.490 0.256 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1)N(C)C ZINC001088110221 1190600849 /nfs/dbraw/zinc/60/08/49/1190600849.db2.gz QXSOTEOGDDTKIF-PMPSAXMXSA-N 1 3 364.490 0.256 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088121700 1190615473 /nfs/dbraw/zinc/61/54/73/1190615473.db2.gz SEYZVVBNHGVBRB-CVEARBPZSA-N 1 3 359.474 0.745 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088121700 1190615481 /nfs/dbraw/zinc/61/54/81/1190615481.db2.gz SEYZVVBNHGVBRB-CVEARBPZSA-N 1 3 359.474 0.745 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC[N@@H+]1C ZINC000986196509 1190919286 /nfs/dbraw/zinc/91/92/86/1190919286.db2.gz SYLAPUCNEBFJDF-PNBKFKSVSA-N 1 3 359.474 0.599 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC[N@H+]1C ZINC000986196509 1190919291 /nfs/dbraw/zinc/91/92/91/1190919291.db2.gz SYLAPUCNEBFJDF-PNBKFKSVSA-N 1 3 359.474 0.599 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1)N(C)C ZINC000986336145 1190951274 /nfs/dbraw/zinc/95/12/74/1190951274.db2.gz FWDWHUGQPBYBHC-SQNIBIBYSA-N 1 3 364.534 0.975 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1)N(C)C ZINC000986426325 1190987643 /nfs/dbraw/zinc/98/76/43/1190987643.db2.gz ZYSZJFYAIYZKQO-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1)[NH+](C)C ZINC000986482667 1191006476 /nfs/dbraw/zinc/00/64/76/1191006476.db2.gz LVWYDCUZBMLZTA-XDNAFOTISA-N 1 3 364.534 0.974 20 0 FCADHO O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466259 1193819500 /nfs/dbraw/zinc/81/95/00/1193819500.db2.gz MZIFCTTWAJPJJI-QRVBRYPASA-N 1 3 365.518 0.696 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000551077733 1193832016 /nfs/dbraw/zinc/83/20/16/1193832016.db2.gz TVKMZCJURFVSIC-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000551151917 1193835908 /nfs/dbraw/zinc/83/59/08/1193835908.db2.gz LDXHGLMECWJUGL-HOTGVXAUSA-N 1 3 369.554 0.079 20 0 FCADHO CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658758 1193861377 /nfs/dbraw/zinc/86/13/77/1193861377.db2.gz JOBWOVDSKCUISD-LTDCPUDJSA-N 1 3 368.522 0.040 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2cccnc21 ZINC000552534359 1193939699 /nfs/dbraw/zinc/93/96/99/1193939699.db2.gz UJUGYTCVVUEULE-UHFFFAOYSA-N 1 3 371.485 0.803 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@@H]1C(C)C ZINC001105668050 1193946474 /nfs/dbraw/zinc/94/64/74/1193946474.db2.gz HCJNIPAHPYKXAZ-VVWQDTPRSA-N 1 3 368.522 0.040 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000553025319 1193965590 /nfs/dbraw/zinc/96/55/90/1193965590.db2.gz WWSWISZXWSMDNG-INIZCTEOSA-N 1 3 367.538 0.119 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000553025319 1193965604 /nfs/dbraw/zinc/96/56/04/1193965604.db2.gz WWSWISZXWSMDNG-INIZCTEOSA-N 1 3 367.538 0.119 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000842188613 1194085019 /nfs/dbraw/zinc/08/50/19/1194085019.db2.gz IZPAQJVZCVOPMF-PXNSSMCTSA-N 1 3 374.485 0.119 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000842188613 1194085024 /nfs/dbraw/zinc/08/50/24/1194085024.db2.gz IZPAQJVZCVOPMF-PXNSSMCTSA-N 1 3 374.485 0.119 20 0 FCADHO Nc1cccnc1N(C(=O)CN1CCCC[C@H](N)C1=O)C1CC[NH2+]CC1 ZINC001218696267 1224198536 /nfs/dbraw/zinc/19/85/36/1224198536.db2.gz QFWAOEPWYPBMQQ-HNNXBMFYSA-N 1 3 360.462 0.089 20 0 FCADHO CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001218735120 1224207968 /nfs/dbraw/zinc/20/79/68/1224207968.db2.gz OKIGKSQZEPMDGB-MRXNPFEDSA-N 1 3 374.489 0.198 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243972 1194370527 /nfs/dbraw/zinc/37/05/27/1194370527.db2.gz JZDBUOFSPRSJNT-FGTMMUONSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC001076243972 1194370530 /nfs/dbraw/zinc/37/05/30/1194370530.db2.gz JZDBUOFSPRSJNT-FGTMMUONSA-N 1 3 362.518 0.873 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccn2nccc12 ZINC001218788585 1224219989 /nfs/dbraw/zinc/21/99/89/1224219989.db2.gz QHMKBIGWAIQVAQ-BBRMVZONSA-N 1 3 358.446 0.720 20 0 FCADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001076447172 1194501588 /nfs/dbraw/zinc/50/15/88/1194501588.db2.gz UQIVJGUTUJGINT-RCCFBDPRSA-N 1 3 360.502 0.530 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CCC3CCCC3)C[C@H]2O)n1 ZINC001077014376 1195148698 /nfs/dbraw/zinc/14/86/98/1195148698.db2.gz SSPBZTHVQMPEDJ-QZTJIDSGSA-N 1 3 363.506 0.800 20 0 FCADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905046416 1195572076 /nfs/dbraw/zinc/57/20/76/1195572076.db2.gz ADFOGQMGVZSYQZ-UXHICEINSA-N 1 3 363.502 0.426 20 0 FCADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000910413207 1195814591 /nfs/dbraw/zinc/81/45/91/1195814591.db2.gz LEGAIDFEZBVTNP-AQFXKWCLSA-N 1 3 367.490 0.441 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910836694 1195849070 /nfs/dbraw/zinc/84/90/70/1195849070.db2.gz IUJZFBAXAIDOAL-MRXNPFEDSA-N 1 3 359.474 0.719 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961196 1195869377 /nfs/dbraw/zinc/86/93/77/1195869377.db2.gz BDYLPYMGRKAHTB-QZTJIDSGSA-N 1 3 360.502 0.924 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000911156119 1195899225 /nfs/dbraw/zinc/89/92/25/1195899225.db2.gz BBHQCHIWZVZESY-OAHLLOKOSA-N 1 3 358.486 0.399 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911253801 1195927248 /nfs/dbraw/zinc/92/72/48/1195927248.db2.gz ARTIJNSDKWDSLZ-OAHLLOKOSA-N 1 3 368.522 0.640 20 0 FCADHO N[C@H]1C[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736326 1196735397 /nfs/dbraw/zinc/73/53/97/1196735397.db2.gz AIIQCGGZJUTVLB-MJGOQNOKSA-N 1 3 358.486 0.905 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219132318 1224363711 /nfs/dbraw/zinc/36/37/11/1224363711.db2.gz MUIWDFBONWJMGW-RYUDHWBXSA-N 1 3 366.437 0.995 20 0 FCADHO COc1ccc(N)c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219142823 1224366494 /nfs/dbraw/zinc/36/64/94/1224366494.db2.gz XTJNETMXZXHLFX-HOCLYGCPSA-N 1 3 363.462 0.663 20 0 FCADHO CN1CCN(c2ccnc(NC(=O)C3C[NH+](C4CCOCC4)C3)c2)CC1 ZINC000913665344 1197101356 /nfs/dbraw/zinc/10/13/56/1197101356.db2.gz VJQPWCLQYPCTFL-UHFFFAOYSA-N 1 3 359.474 0.883 20 0 FCADHO C[NH+](C)CCN1CCCC2(CCN(C(=O)[C@H](CO)n3ccnc3)CC2)C1 ZINC001272467131 1197103213 /nfs/dbraw/zinc/10/32/13/1197103213.db2.gz LFZSLYAKDVBEHZ-KRWDZBQOSA-N 1 3 363.506 0.683 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085217883 1197692925 /nfs/dbraw/zinc/69/29/25/1197692925.db2.gz WCINTYWHSDTJLV-ZACQAIPSSA-N 1 3 365.522 0.903 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282142 1197826156 /nfs/dbraw/zinc/82/61/56/1197826156.db2.gz VEZJLEPMIAGGDU-ZACQAIPSSA-N 1 3 369.554 0.964 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106336495 1197868303 /nfs/dbraw/zinc/86/83/03/1197868303.db2.gz RDDHZZRGTVKBMU-HUUCEWRRSA-N 1 3 366.506 0.550 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106340249 1197870222 /nfs/dbraw/zinc/87/02/22/1197870222.db2.gz QBEYFWANIFVLNW-HZPDHXFCSA-N 1 3 368.522 0.260 20 0 FCADHO COC(=O)c1nn(C)c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cc21 ZINC001219364950 1224442857 /nfs/dbraw/zinc/44/28/57/1224442857.db2.gz SIEKQBOQUPRNAV-ADLMAVQZSA-N 1 3 357.414 0.498 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H](N)C1CCOCC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504271 1224491146 /nfs/dbraw/zinc/49/11/46/1224491146.db2.gz RWQRYKWKCUTUNB-QFBILLFUSA-N 1 3 374.441 0.571 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](C)C[C@@H](C)CN ZINC001169181349 1199055138 /nfs/dbraw/zinc/05/51/38/1199055138.db2.gz OHDXSTGJXDAVET-UONOGXRCSA-N 1 3 364.494 0.519 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)C[C@@H](C)CN ZINC001169181349 1199055145 /nfs/dbraw/zinc/05/51/45/1199055145.db2.gz OHDXSTGJXDAVET-UONOGXRCSA-N 1 3 364.494 0.519 20 0 FCADHO CC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)C1 ZINC001169547822 1199071847 /nfs/dbraw/zinc/07/18/47/1199071847.db2.gz WNINLLCKUUZRTJ-XUVXKRRUSA-N 1 3 364.534 0.868 20 0 FCADHO CC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)C1 ZINC001169547822 1199071850 /nfs/dbraw/zinc/07/18/50/1199071850.db2.gz WNINLLCKUUZRTJ-XUVXKRRUSA-N 1 3 364.534 0.868 20 0 FCADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)C1 ZINC001219642370 1224543723 /nfs/dbraw/zinc/54/37/23/1224543723.db2.gz SGSOEKIWHPXRRB-PMPSAXMXSA-N 1 3 361.490 0.671 20 0 FCADHO N[C@H](C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743967 1224589940 /nfs/dbraw/zinc/58/99/40/1224589940.db2.gz QAXPFKBOZUNFJR-CVEARBPZSA-N 1 3 367.490 0.664 20 0 FCADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650141 1200442368 /nfs/dbraw/zinc/44/23/68/1200442368.db2.gz UUQZBSVKDZOZDO-QZWWFDLISA-N 1 3 369.506 0.074 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001109672614 1200460437 /nfs/dbraw/zinc/46/04/37/1200460437.db2.gz MXBMSCGQJYJSAE-LMSBXDPUSA-N 1 3 365.474 0.830 20 0 FCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822344 1200545286 /nfs/dbraw/zinc/54/52/86/1200545286.db2.gz KFIMEINOTUQRHP-BGTYHANMSA-N 1 3 363.506 0.941 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112567705 1200802363 /nfs/dbraw/zinc/80/23/63/1200802363.db2.gz DCXASCXHALLWOE-GLJUWKHASA-N 1 3 367.494 0.130 20 0 FCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000793737390 1201262845 /nfs/dbraw/zinc/26/28/45/1201262845.db2.gz IHJMNFZBGWBLCT-CVEARBPZSA-N 1 3 366.506 0.345 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129994266 1201464316 /nfs/dbraw/zinc/46/43/16/1201464316.db2.gz DROQGPIILCPBRN-IXDOHACOSA-N 1 3 366.510 0.632 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130030782 1201480856 /nfs/dbraw/zinc/48/08/56/1201480856.db2.gz QWBHHTAAZRWWLR-ZACQAIPSSA-N 1 3 364.494 0.265 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130043968 1201485153 /nfs/dbraw/zinc/48/51/53/1201485153.db2.gz JITLQPOJXOEMFO-SJORKVTESA-N 1 3 366.510 0.514 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130106961 1201501985 /nfs/dbraw/zinc/50/19/85/1201501985.db2.gz BJOAJHFZJREAIB-SJORKVTESA-N 1 3 366.510 0.634 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130107345 1201503100 /nfs/dbraw/zinc/50/31/00/1201503100.db2.gz LDFIROQNACWXJD-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137012 1201514309 /nfs/dbraw/zinc/51/43/09/1201514309.db2.gz DVDJRQZIZCTMJT-SJORKVTESA-N 1 3 366.510 0.775 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCOC)CC1)N(C)C ZINC001130293548 1201579517 /nfs/dbraw/zinc/57/95/17/1201579517.db2.gz ZPIIKMFIHAJQSB-NUJGCVRESA-N 1 3 368.522 0.448 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)N(C)C ZINC001130301763 1201580750 /nfs/dbraw/zinc/58/07/50/1201580750.db2.gz FIKWCTVUMOLHLP-BPQIPLTHSA-N 1 3 368.522 0.040 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCO)CC1 ZINC001130305292 1201581958 /nfs/dbraw/zinc/58/19/58/1201581958.db2.gz RNKVQKTWEMFLBJ-APWZRJJASA-N 1 3 368.522 0.186 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219941328 1224692124 /nfs/dbraw/zinc/69/21/24/1224692124.db2.gz VKBMXJSRJFGJAL-MSOLQXFVSA-N 1 3 358.486 0.345 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219941328 1224692132 /nfs/dbraw/zinc/69/21/32/1224692132.db2.gz VKBMXJSRJFGJAL-MSOLQXFVSA-N 1 3 358.486 0.345 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1COC2(CNC2)CN1 ZINC001219941329 1224692787 /nfs/dbraw/zinc/69/27/87/1224692787.db2.gz VKBMXJSRJFGJAL-QZTJIDSGSA-N 1 3 358.486 0.345 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COC2(CNC2)CN1 ZINC001219941329 1224692790 /nfs/dbraw/zinc/69/27/90/1224692790.db2.gz VKBMXJSRJFGJAL-QZTJIDSGSA-N 1 3 358.486 0.345 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130695420 1202757472 /nfs/dbraw/zinc/75/74/72/1202757472.db2.gz RBNZZUVJOAKWRK-XYJFISCASA-N 1 3 365.522 0.807 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001131091817 1202861380 /nfs/dbraw/zinc/86/13/80/1202861380.db2.gz QMRPXDYGYRFKAT-BRWVUGGUSA-N 1 3 365.522 0.807 20 0 FCADHO CC1CCN(CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCCO)C2)CC1 ZINC001131096968 1202862424 /nfs/dbraw/zinc/86/24/24/1202862424.db2.gz SPUOBIITCCYFFA-IAGOWNOFSA-N 1 3 363.506 0.418 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131592882 1202917116 /nfs/dbraw/zinc/91/71/16/1202917116.db2.gz AILAEKOTOOASPE-GMBSWORKSA-N 1 3 366.506 0.060 20 0 FCADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131592882 1202917118 /nfs/dbraw/zinc/91/71/18/1202917118.db2.gz AILAEKOTOOASPE-GMBSWORKSA-N 1 3 366.506 0.060 20 0 FCADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001134120505 1203014938 /nfs/dbraw/zinc/01/49/38/1203014938.db2.gz ARKSCNDGSYBOLG-MSOLQXFVSA-N 1 3 358.486 0.658 20 0 FCADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001134120505 1203014940 /nfs/dbraw/zinc/01/49/40/1203014940.db2.gz ARKSCNDGSYBOLG-MSOLQXFVSA-N 1 3 358.486 0.658 20 0 FCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126552 1203015863 /nfs/dbraw/zinc/01/58/63/1203015863.db2.gz XHMADUBCOIZNQY-NXHRZFHOSA-N 1 3 360.502 0.952 20 0 FCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126552 1203015866 /nfs/dbraw/zinc/01/58/66/1203015866.db2.gz XHMADUBCOIZNQY-NXHRZFHOSA-N 1 3 360.502 0.952 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2[NH2+]CCO)cc1 ZINC001090875041 1203325337 /nfs/dbraw/zinc/32/53/37/1203325337.db2.gz ZYCSJPJFAVZUEX-IPMKNSEASA-N 1 3 361.486 0.912 20 0 FCADHO CN1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001220160402 1224791261 /nfs/dbraw/zinc/79/12/61/1224791261.db2.gz YTMDFOHFNSXDRO-BZSNNMDCSA-N 1 3 358.486 0.676 20 0 FCADHO O=C(CN1CC[NH2+]CC1)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353240 1224840043 /nfs/dbraw/zinc/84/00/43/1224840043.db2.gz HQNWBCMWVBRZNM-MSOLQXFVSA-N 1 3 374.485 0.467 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001144934346 1204660352 /nfs/dbraw/zinc/66/03/52/1204660352.db2.gz XZLYEARQZDYCFN-WMZOPIPTSA-N 1 3 371.485 0.982 20 0 FCADHO CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740806 1204838518 /nfs/dbraw/zinc/83/85/18/1204838518.db2.gz JRXWBWBTBMOGHB-MDYRTPRTSA-N 1 3 362.518 0.872 20 0 FCADHO CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)C1=O ZINC001091740806 1204838519 /nfs/dbraw/zinc/83/85/19/1204838519.db2.gz JRXWBWBTBMOGHB-MDYRTPRTSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742960 1204839819 /nfs/dbraw/zinc/83/98/19/1204839819.db2.gz GYRDCFISAXHZRQ-MDYRTPRTSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1)C1CCC1 ZINC001091742960 1204839820 /nfs/dbraw/zinc/83/98/20/1204839820.db2.gz GYRDCFISAXHZRQ-MDYRTPRTSA-N 1 3 362.518 0.872 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059664 1204943941 /nfs/dbraw/zinc/94/39/41/1204943941.db2.gz OXJMUZYKHIWPMA-NVXWUHKLSA-N 1 3 363.506 0.858 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087059378 1204944121 /nfs/dbraw/zinc/94/41/21/1204944121.db2.gz BRJYGKKZCRVNNX-KZNAEPCWSA-N 1 3 363.506 0.713 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012987 1205113912 /nfs/dbraw/zinc/11/39/12/1205113912.db2.gz FYGBFRLLYJQMHU-FCEWJHQRSA-N 1 3 363.506 0.134 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092012987 1205113913 /nfs/dbraw/zinc/11/39/13/1205113913.db2.gz FYGBFRLLYJQMHU-FCEWJHQRSA-N 1 3 363.506 0.134 20 0 FCADHO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220456227 1224877960 /nfs/dbraw/zinc/87/79/60/1224877960.db2.gz HRTQFOWMLTUKFW-IRXDYDNUSA-N 1 3 365.474 0.920 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602519 1205317522 /nfs/dbraw/zinc/31/75/22/1205317522.db2.gz ATFADVKGSLXWLL-ZACQAIPSSA-N 1 3 365.522 0.569 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001092602519 1205317525 /nfs/dbraw/zinc/31/75/25/1205317525.db2.gz ATFADVKGSLXWLL-ZACQAIPSSA-N 1 3 365.522 0.569 20 0 FCADHO CCN1CC[C@H](N2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)C1=O ZINC001092775932 1205355081 /nfs/dbraw/zinc/35/50/81/1205355081.db2.gz NSKPUOYFWGAPIQ-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517137 1224900271 /nfs/dbraw/zinc/90/02/71/1224900271.db2.gz YAGLTICDHRCZLD-SJORKVTESA-N 1 3 367.494 0.036 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911458 1205940674 /nfs/dbraw/zinc/94/06/74/1205940674.db2.gz RUBCURJWNAJLGM-NUJGCVRESA-N 1 3 363.506 0.713 20 0 FCADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)C1 ZINC001092911458 1205940680 /nfs/dbraw/zinc/94/06/80/1205940680.db2.gz RUBCURJWNAJLGM-NUJGCVRESA-N 1 3 363.506 0.713 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040990 1206002119 /nfs/dbraw/zinc/00/21/19/1206002119.db2.gz ZNQOBCUYHBTKFB-IIAWOOMASA-N 1 3 364.494 0.006 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093822433 1206124298 /nfs/dbraw/zinc/12/42/98/1206124298.db2.gz QQHUAVNGWCNPHD-BJZITVGISA-N 1 3 360.502 0.910 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001093942597 1206155878 /nfs/dbraw/zinc/15/58/78/1206155878.db2.gz UXNLROSTEWWEFP-KYJSFNMBSA-N 1 3 360.506 0.874 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1CNCc1cn(C)nn1 ZINC001093942599 1206155937 /nfs/dbraw/zinc/15/59/37/1206155937.db2.gz UXNLROSTEWWEFP-QGPMSJSTSA-N 1 3 360.506 0.874 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1C ZINC001094165580 1206197850 /nfs/dbraw/zinc/19/78/50/1206197850.db2.gz RNSNNWDDUCEABS-OWCLPIDISA-N 1 3 362.522 0.903 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1C ZINC001094165580 1206197853 /nfs/dbraw/zinc/19/78/53/1206197853.db2.gz RNSNNWDDUCEABS-OWCLPIDISA-N 1 3 362.522 0.903 20 0 FCADHO COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474020 1206233452 /nfs/dbraw/zinc/23/34/52/1206233452.db2.gz HGZGKOALDOOIBP-KCZRXQPDSA-N 1 3 363.502 0.857 20 0 FCADHO COCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474020 1206233454 /nfs/dbraw/zinc/23/34/54/1206233454.db2.gz HGZGKOALDOOIBP-KCZRXQPDSA-N 1 3 363.502 0.857 20 0 FCADHO CN(CC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1)C1CCCC1 ZINC001180624576 1206396558 /nfs/dbraw/zinc/39/65/58/1206396558.db2.gz DQPGXZRHMNALDL-UHFFFAOYSA-N 1 3 361.490 0.818 20 0 FCADHO Nc1cn(C(=O)[C@@H]2CCCN2CC2CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001182556230 1206438641 /nfs/dbraw/zinc/43/86/41/1206438641.db2.gz XHQQXFPSXQXWBU-IBGZPJMESA-N 1 3 373.501 0.818 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)N(C)Cc1ccccc1 ZINC001185225181 1206475878 /nfs/dbraw/zinc/47/58/78/1206475878.db2.gz BSKQMOHYVIKNOW-ZCNNSNEGSA-N 1 3 374.529 0.716 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)N(C)Cc1ccccc1 ZINC001185225181 1206475879 /nfs/dbraw/zinc/47/58/79/1206475879.db2.gz BSKQMOHYVIKNOW-ZCNNSNEGSA-N 1 3 374.529 0.716 20 0 FCADHO O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220623185 1224972189 /nfs/dbraw/zinc/97/21/89/1224972189.db2.gz YBIVGVWLHHSRKL-OAHLLOKOSA-N 1 3 366.469 0.524 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220643274 1224983223 /nfs/dbraw/zinc/98/32/23/1224983223.db2.gz YDQLIGCLHCOSJP-FGTMMUONSA-N 1 3 369.506 0.074 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651897 1224990040 /nfs/dbraw/zinc/99/00/40/1224990040.db2.gz QSTZFGIQKUGBLR-YOEHRIQHSA-N 1 3 359.474 0.051 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610025 1207466426 /nfs/dbraw/zinc/46/64/26/1207466426.db2.gz JVPZIKAJDVOXLH-VVJOJPPRSA-N 1 3 363.502 0.807 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610025 1207466427 /nfs/dbraw/zinc/46/64/27/1207466427.db2.gz JVPZIKAJDVOXLH-VVJOJPPRSA-N 1 3 363.502 0.807 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661102 1208280175 /nfs/dbraw/zinc/28/01/75/1208280175.db2.gz AFVNMKKCXOPKKH-QXAKKESOSA-N 1 3 361.486 0.959 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@H]2O)C1 ZINC001198661102 1208280176 /nfs/dbraw/zinc/28/01/76/1208280176.db2.gz AFVNMKKCXOPKKH-QXAKKESOSA-N 1 3 361.486 0.959 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CN1CC[C@H](C)C1 ZINC001488537072 1208532694 /nfs/dbraw/zinc/53/26/94/1208532694.db2.gz XSDSYEANHZNBJM-GVDBMIGSSA-N 1 3 368.522 0.260 20 0 FCADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CN1CC[C@H](C)C1 ZINC001488537072 1208532702 /nfs/dbraw/zinc/53/27/02/1208532702.db2.gz XSDSYEANHZNBJM-GVDBMIGSSA-N 1 3 368.522 0.260 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001489382292 1208804644 /nfs/dbraw/zinc/80/46/44/1208804644.db2.gz ZJAGWAIVDPUXCU-HZPDHXFCSA-N 1 3 368.522 0.281 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1OC ZINC001489534771 1208896254 /nfs/dbraw/zinc/89/62/54/1208896254.db2.gz GWYOVQLWLQUTHX-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1OC ZINC001489534771 1208896255 /nfs/dbraw/zinc/89/62/55/1208896255.db2.gz GWYOVQLWLQUTHX-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1O)[NH+](C)C ZINC001489622314 1209053439 /nfs/dbraw/zinc/05/34/39/1209053439.db2.gz FFRVWZXTRPQTGG-HLLBOEOZSA-N 1 3 370.538 0.238 20 0 FCADHO COc1cncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001220872236 1225118616 /nfs/dbraw/zinc/11/86/16/1225118616.db2.gz PKLFYRPSVFQQAM-HOTGVXAUSA-N 1 3 363.462 0.154 20 0 FCADHO O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220929524 1225146869 /nfs/dbraw/zinc/14/68/69/1225146869.db2.gz BJCPPQKRWFKHJZ-INIZCTEOSA-N 1 3 358.490 0.683 20 0 FCADHO O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220929524 1225146873 /nfs/dbraw/zinc/14/68/73/1225146873.db2.gz BJCPPQKRWFKHJZ-INIZCTEOSA-N 1 3 358.490 0.683 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)C2CC3(C[NH2+]C3)C2)CC1 ZINC001220969143 1225165285 /nfs/dbraw/zinc/16/52/85/1225165285.db2.gz PPMPKMPMBOUBCD-UHFFFAOYSA-N 1 3 356.470 0.622 20 0 FCADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc([C@@H](N)C[NH3+])cc2)CC1 ZINC001221006996 1225182890 /nfs/dbraw/zinc/18/28/90/1225182890.db2.gz QZWRPDBUTMSOSA-ULQDDVLXSA-N 1 3 361.490 0.364 20 0 FCADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@H]1COC2(CNC2)CN1 ZINC001221030650 1225192996 /nfs/dbraw/zinc/19/29/96/1225192996.db2.gz HHBYPCTVTZRSDT-IAGOWNOFSA-N 1 3 362.449 0.313 20 0 FCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873100710 1210233645 /nfs/dbraw/zinc/23/36/45/1210233645.db2.gz BZJZUQFKUVFCMW-KRWDZBQOSA-N 1 3 374.485 0.962 20 0 FCADHO CN1CC[NH+](C2CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879595850 1210490816 /nfs/dbraw/zinc/49/08/16/1210490816.db2.gz GPFIQVBQWFIZBQ-LJQANCHMSA-N 1 3 370.538 0.974 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC)ccn1 ZINC000882487271 1210623802 /nfs/dbraw/zinc/62/38/02/1210623802.db2.gz UFOIIZZFMQCELV-JKSUJKDBSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2CC)ccn1 ZINC000882487271 1210623819 /nfs/dbraw/zinc/62/38/19/1210623819.db2.gz UFOIIZZFMQCELV-JKSUJKDBSA-N 1 3 359.474 0.730 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1N(C)C ZINC000130581645 1210645248 /nfs/dbraw/zinc/64/52/48/1210645248.db2.gz NYMLSSNJBFETRI-UHFFFAOYSA-N 1 3 363.506 0.951 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439158 1210667058 /nfs/dbraw/zinc/66/70/58/1210667058.db2.gz KGSQIGCGBAFMNY-LTIDMASMSA-N 1 3 365.474 0.829 20 0 FCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883439159 1210667607 /nfs/dbraw/zinc/66/76/07/1210667607.db2.gz KGSQIGCGBAFMNY-LUKYLMHMSA-N 1 3 365.474 0.829 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883653124 1210680324 /nfs/dbraw/zinc/68/03/24/1210680324.db2.gz MEHAQQHVHSIEGA-UHFFFAOYSA-N 1 3 367.538 0.202 20 0 FCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000884560211 1210751616 /nfs/dbraw/zinc/75/16/16/1210751616.db2.gz QPZPBEQIBBOEAE-VCBZYWHSSA-N 1 3 366.506 0.189 20 0 FCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884577366 1210755640 /nfs/dbraw/zinc/75/56/40/1210755640.db2.gz DHKIRHMFCVZPMB-YJBOKZPZSA-N 1 3 358.486 0.808 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884578275 1210756850 /nfs/dbraw/zinc/75/68/50/1210756850.db2.gz WVRXBXXPJZCOHL-HDICACEKSA-N 1 3 356.470 0.514 20 0 FCADHO O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631545 1210767776 /nfs/dbraw/zinc/76/77/76/1210767776.db2.gz NTGPJPHXGBCUHE-KRWDZBQOSA-N 1 3 356.470 0.549 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884706223 1210784618 /nfs/dbraw/zinc/78/46/18/1210784618.db2.gz VVVZVTCTLAXXIG-LSDHHAIUSA-N 1 3 366.506 0.693 20 0 FCADHO CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884725898 1210790920 /nfs/dbraw/zinc/79/09/20/1210790920.db2.gz BSCVXMUBBSHVGQ-INIZCTEOSA-N 1 3 366.506 0.348 20 0 FCADHO CC1(C)CC[C@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)[NH2+]C1 ZINC000884787090 1210795109 /nfs/dbraw/zinc/79/51/09/1210795109.db2.gz GRIVGEBGRPYYHK-HZPDHXFCSA-N 1 3 366.506 0.250 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884839874 1210800734 /nfs/dbraw/zinc/80/07/34/1210800734.db2.gz BMMDMRSODSBZTQ-UHFFFAOYSA-N 1 3 358.486 0.891 20 0 FCADHO N[C@H](C(=O)NCc1ccnc(N2CCCCCC2=O)c1)C1CC[NH2+]CC1 ZINC001221153777 1225242178 /nfs/dbraw/zinc/24/21/78/1225242178.db2.gz PWCQDQRGPQBEQQ-SFHVURJKSA-N 1 3 359.474 0.932 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885167833 1210814556 /nfs/dbraw/zinc/81/45/56/1210814556.db2.gz PRRVOSRHVRQUMH-GBESFXJTSA-N 1 3 370.497 0.760 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885167833 1210814559 /nfs/dbraw/zinc/81/45/59/1210814559.db2.gz PRRVOSRHVRQUMH-GBESFXJTSA-N 1 3 370.497 0.760 20 0 FCADHO O=C(CCN1CCCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ncccn2)CC1 ZINC000886872537 1210838876 /nfs/dbraw/zinc/83/88/76/1210838876.db2.gz VBERJJUIZUFPNN-HXUWFJFHSA-N 1 3 372.517 0.981 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C3(C)CC[NH+](C)CC3)C[C@H]2CC1 ZINC001274401542 1211045438 /nfs/dbraw/zinc/04/54/38/1211045438.db2.gz SKLADFOLTRBTHY-CALCHBBNSA-N 1 3 364.534 0.977 20 0 FCADHO CC(C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275064176 1211173689 /nfs/dbraw/zinc/17/36/89/1211173689.db2.gz OZLILWYYGBFVIJ-HXUWFJFHSA-N 1 3 366.550 0.831 20 0 FCADHO CC(C)C[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001275064176 1211173690 /nfs/dbraw/zinc/17/36/90/1211173690.db2.gz OZLILWYYGBFVIJ-HXUWFJFHSA-N 1 3 366.550 0.831 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143376 1211179513 /nfs/dbraw/zinc/17/95/13/1211179513.db2.gz UGTVJWMYPGBHHC-QUCCMNQESA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C[C@H]3CCOC3)C2=O)CC1 ZINC001275143376 1211179518 /nfs/dbraw/zinc/17/95/18/1211179518.db2.gz UGTVJWMYPGBHHC-QUCCMNQESA-N 1 3 364.534 0.727 20 0 FCADHO Cc1ncc(CO)c(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1[O-] ZINC001275335863 1211217249 /nfs/dbraw/zinc/21/72/49/1211217249.db2.gz XBHFCAHUXMBWEE-IBGZPJMESA-N 1 3 362.474 0.574 20 0 FCADHO Cc1ncc(CO)c(C[N@@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1[O-] ZINC001275335863 1211217250 /nfs/dbraw/zinc/21/72/50/1211217250.db2.gz XBHFCAHUXMBWEE-IBGZPJMESA-N 1 3 362.474 0.574 20 0 FCADHO COc1cc(CN2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)ccn1 ZINC001275404808 1211232195 /nfs/dbraw/zinc/23/21/95/1211232195.db2.gz FNHBAZLIBNICQK-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)CC1 ZINC001110956372 1211614698 /nfs/dbraw/zinc/61/46/98/1211614698.db2.gz FXVAPLWYBLQJCP-VQHPVUNQSA-N 1 3 361.490 0.307 20 0 FCADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221365945 1225303243 /nfs/dbraw/zinc/30/32/43/1225303243.db2.gz LHTHTTHZCUEQAE-HOTGVXAUSA-N 1 3 361.442 0.497 20 0 FCADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221365945 1225303250 /nfs/dbraw/zinc/30/32/50/1225303250.db2.gz LHTHTTHZCUEQAE-HOTGVXAUSA-N 1 3 361.442 0.497 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976198 1211653063 /nfs/dbraw/zinc/65/30/63/1211653063.db2.gz GMIIXGBASOJQBS-TVFCKZIOSA-N 1 3 369.506 0.074 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)CC2)NC1 ZINC001221392839 1225305163 /nfs/dbraw/zinc/30/51/63/1225305163.db2.gz NXSAVXGCGOJJDP-UHFFFAOYSA-N 1 3 368.485 0.673 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)C3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)NC1 ZINC001221391887 1225305444 /nfs/dbraw/zinc/30/54/44/1225305444.db2.gz HDOKWMFKCZYPJU-GOSISDBHSA-N 1 3 359.518 0.629 20 0 FCADHO Cc1nc2ccccn2c1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000934168524 1211858132 /nfs/dbraw/zinc/85/81/32/1211858132.db2.gz OEYWTWDKJBJHPO-UHFFFAOYSA-N 1 3 374.489 0.211 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935365662 1211876796 /nfs/dbraw/zinc/87/67/96/1211876796.db2.gz KBTIIRJHLLPJGO-YESZJQIVSA-N 1 3 368.522 0.325 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935365662 1211876797 /nfs/dbraw/zinc/87/67/97/1211876797.db2.gz KBTIIRJHLLPJGO-YESZJQIVSA-N 1 3 368.522 0.325 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000950391003 1212566362 /nfs/dbraw/zinc/56/63/62/1212566362.db2.gz PYCMYDMMGAPMBS-ZTFGCOKTSA-N 1 3 362.518 0.776 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001008396667 1212691936 /nfs/dbraw/zinc/69/19/36/1212691936.db2.gz UGSCAGLLMNKLAW-FMKPAKJESA-N 1 3 361.490 0.954 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001008396667 1212691939 /nfs/dbraw/zinc/69/19/39/1212691939.db2.gz UGSCAGLLMNKLAW-FMKPAKJESA-N 1 3 361.490 0.954 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC001009121347 1212807673 /nfs/dbraw/zinc/80/76/73/1212807673.db2.gz TYQVASBFFDDIRO-HHARLNAUSA-N 1 3 362.518 0.632 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC001009121347 1212807676 /nfs/dbraw/zinc/80/76/76/1212807676.db2.gz TYQVASBFFDDIRO-HHARLNAUSA-N 1 3 362.518 0.632 20 0 FCADHO COCC[N@@H+]1CCC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276356965 1213446393 /nfs/dbraw/zinc/44/63/93/1213446393.db2.gz CMFNUGFZTZCWRN-FQEVSTJZSA-N 1 3 366.550 0.975 20 0 FCADHO COCC[N@H+]1CCC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276356965 1213446394 /nfs/dbraw/zinc/44/63/94/1213446394.db2.gz CMFNUGFZTZCWRN-FQEVSTJZSA-N 1 3 366.550 0.975 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C[C@H]4CCc5ncnn54)C[C@H]32)CC1 ZINC001221771607 1225476661 /nfs/dbraw/zinc/47/66/61/1225476661.db2.gz DCPOUSQZWZVCNC-BZUAXINKSA-N 1 3 358.490 0.640 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961664740 1214260698 /nfs/dbraw/zinc/26/06/98/1214260698.db2.gz HKAVDSMTYKWWAW-WCXIOVBPSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)CC[N@H+]1C ZINC000961664740 1214260701 /nfs/dbraw/zinc/26/07/01/1214260701.db2.gz HKAVDSMTYKWWAW-WCXIOVBPSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(CCn2cncn2)C3)CC[N@@H+]1C ZINC001040211799 1214484647 /nfs/dbraw/zinc/48/46/47/1214484647.db2.gz ZTNJPWBUYSTRMQ-LMMKCTJWSA-N 1 3 360.506 0.933 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(CCn2cncn2)C3)CC[N@H+]1C ZINC001040211799 1214484650 /nfs/dbraw/zinc/48/46/50/1214484650.db2.gz ZTNJPWBUYSTRMQ-LMMKCTJWSA-N 1 3 360.506 0.933 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@@H+]1C ZINC000963861524 1214865074 /nfs/dbraw/zinc/86/50/74/1214865074.db2.gz NEYPYOIJRSRMQR-YALNPMBYSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cc4c[nH]cn4)[C@@H]3C2)CC[N@H+]1C ZINC000963861524 1214865076 /nfs/dbraw/zinc/86/50/76/1214865076.db2.gz NEYPYOIJRSRMQR-YALNPMBYSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@@H]4CCCNC4=O)CC3)CC2)CC[N@@H+]1C ZINC001000162102 1216013947 /nfs/dbraw/zinc/01/39/47/1216013947.db2.gz UHQPMDJQWMEKBS-DJIMGWMZSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN([C@@H]4CCCNC4=O)CC3)CC2)CC[N@H+]1C ZINC001000162102 1216013952 /nfs/dbraw/zinc/01/39/52/1216013952.db2.gz UHQPMDJQWMEKBS-DJIMGWMZSA-N 1 3 362.518 0.966 20 0 FCADHO c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[C@@H]4NCCO[C@H]4C3)cnc12 ZINC001222696920 1225646357 /nfs/dbraw/zinc/64/63/57/1225646357.db2.gz QAFJFTKIWZPDRP-WMZOPIPTSA-N 1 3 356.474 0.759 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1C ZINC001057741364 1216531705 /nfs/dbraw/zinc/53/17/05/1216531705.db2.gz QSOWVQFRRMDVSD-HZPDHXFCSA-N 1 3 370.538 0.242 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CN(C)CC(C)(C)C)CC[N@H+]1C ZINC001057741364 1216531711 /nfs/dbraw/zinc/53/17/11/1216531711.db2.gz QSOWVQFRRMDVSD-HZPDHXFCSA-N 1 3 370.538 0.242 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CN2CCC[C@H]2C)CC[N@@H+]1C ZINC001057745792 1216535666 /nfs/dbraw/zinc/53/56/66/1216535666.db2.gz AUKNFHLWNNCZAP-IXDOHACOSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CN2CCC[C@H]2C)CC[N@H+]1C ZINC001057745792 1216535675 /nfs/dbraw/zinc/53/56/75/1216535675.db2.gz AUKNFHLWNNCZAP-IXDOHACOSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C ZINC001058286426 1216664248 /nfs/dbraw/zinc/66/42/48/1216664248.db2.gz OFTAFRUTXGKGHN-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)N2CCCC2)CC[N@H+]1C ZINC001058286426 1216664250 /nfs/dbraw/zinc/66/42/50/1216664250.db2.gz OFTAFRUTXGKGHN-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885103 1216765279 /nfs/dbraw/zinc/76/52/79/1216765279.db2.gz NQNLHTQVPAAXNE-BZUAXINKSA-N 1 3 366.506 0.153 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885103 1216765280 /nfs/dbraw/zinc/76/52/80/1216765280.db2.gz NQNLHTQVPAAXNE-BZUAXINKSA-N 1 3 366.506 0.153 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001045440798 1217929096 /nfs/dbraw/zinc/92/90/96/1217929096.db2.gz PGULFZAGWUXKNC-JKSUJKDBSA-N 1 3 365.522 0.713 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001045440798 1217929101 /nfs/dbraw/zinc/92/91/01/1217929101.db2.gz PGULFZAGWUXKNC-JKSUJKDBSA-N 1 3 365.522 0.713 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001045445205 1217929672 /nfs/dbraw/zinc/92/96/72/1217929672.db2.gz YZLJCUKKWYHOHW-HUUCEWRRSA-N 1 3 364.490 0.446 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001045445205 1217929677 /nfs/dbraw/zinc/92/96/77/1217929677.db2.gz YZLJCUKKWYHOHW-HUUCEWRRSA-N 1 3 364.490 0.446 20 0 FCADHO C[C@@H](CNC(=O)C1CCC(N2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000900693457 1218024970 /nfs/dbraw/zinc/02/49/70/1218024970.db2.gz SQRZCAGQKBRPEB-VIQWUECVSA-N 1 3 366.550 0.877 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCN2CCNC2=O)CC[N@@H+]1C ZINC001049485077 1218462203 /nfs/dbraw/zinc/46/22/03/1218462203.db2.gz KUHMTSBFWOSAEP-VQHPVUNQSA-N 1 3 363.506 0.417 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCN2CCNC2=O)CC[N@H+]1C ZINC001049485077 1218462210 /nfs/dbraw/zinc/46/22/10/1218462210.db2.gz KUHMTSBFWOSAEP-VQHPVUNQSA-N 1 3 363.506 0.417 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CCC1 ZINC001226783173 1225854215 /nfs/dbraw/zinc/85/42/15/1225854215.db2.gz UWMTYUVUQGAVRS-HZPDHXFCSA-N 1 3 366.506 0.347 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001227057229 1225862358 /nfs/dbraw/zinc/86/23/58/1225862358.db2.gz RFKZGEMKXASSST-RBSFLKMASA-N 1 3 367.494 0.286 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000804053036 1219106678 /nfs/dbraw/zinc/10/66/78/1219106678.db2.gz IDFISEXNXPTOOC-BRWVUGGUSA-N 1 3 366.506 0.204 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C ZINC000804057592 1219110565 /nfs/dbraw/zinc/11/05/65/1219110565.db2.gz AZRMTDACWDJKNX-YYIAUSFCSA-N 1 3 366.506 0.297 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C ZINC000804057592 1219110568 /nfs/dbraw/zinc/11/05/68/1219110568.db2.gz AZRMTDACWDJKNX-YYIAUSFCSA-N 1 3 366.506 0.297 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000804059899 1219114027 /nfs/dbraw/zinc/11/40/27/1219114027.db2.gz ONKOTVHTCMTIMF-VQHPVUNQSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000804059899 1219114032 /nfs/dbraw/zinc/11/40/32/1219114032.db2.gz ONKOTVHTCMTIMF-VQHPVUNQSA-N 1 3 366.506 0.202 20 0 FCADHO CCN(CC)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074603459 1219701494 /nfs/dbraw/zinc/70/14/94/1219701494.db2.gz KMMDUBIYWIKAIA-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074603459 1219701497 /nfs/dbraw/zinc/70/14/97/1219701497.db2.gz KMMDUBIYWIKAIA-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001101272639 1220259800 /nfs/dbraw/zinc/25/98/00/1220259800.db2.gz VPKUJIZTKMBKLF-UWVAXJGDSA-N 1 3 364.534 0.879 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101400013 1220324441 /nfs/dbraw/zinc/32/44/41/1220324441.db2.gz CGEIRSLLNQUJGY-MJGOQNOKSA-N 1 3 368.522 0.261 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCOCCNC(C)=O)C[C@@]2(C)C1 ZINC001101400013 1220324444 /nfs/dbraw/zinc/32/44/44/1220324444.db2.gz CGEIRSLLNQUJGY-MJGOQNOKSA-N 1 3 368.522 0.261 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101418260 1220332702 /nfs/dbraw/zinc/33/27/02/1220332702.db2.gz ITTXIETUPJUUOD-APWZRJJASA-N 1 3 367.538 0.816 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(CCNC(=O)NC(C)C)C[C@@]2(C)C1 ZINC001101418260 1220332707 /nfs/dbraw/zinc/33/27/07/1220332707.db2.gz ITTXIETUPJUUOD-APWZRJJASA-N 1 3 367.538 0.816 20 0 FCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976319 1220449351 /nfs/dbraw/zinc/44/93/51/1220449351.db2.gz WXQISATYPFXTSD-OLMNPRSZSA-N 1 3 362.518 0.539 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013191 1220461834 /nfs/dbraw/zinc/46/18/34/1220461834.db2.gz OUEYQBUDRXVBDS-BFYDXBDKSA-N 1 3 370.513 0.971 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102013191 1220461840 /nfs/dbraw/zinc/46/18/40/1220461840.db2.gz OUEYQBUDRXVBDS-BFYDXBDKSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433566 1220623284 /nfs/dbraw/zinc/62/32/84/1220623284.db2.gz AADWBZSJRJPFPN-FVQBIDKESA-N 1 3 364.490 0.208 20 0 FCADHO CC(C)CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513910 1220673406 /nfs/dbraw/zinc/67/34/06/1220673406.db2.gz GKRHDMRWAWOGGN-BRWVUGGUSA-N 1 3 370.538 0.409 20 0 FCADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596767 1220718158 /nfs/dbraw/zinc/71/81/58/1220718158.db2.gz XCRWQLIBUVNGFU-OAGGEKHMSA-N 1 3 364.490 0.352 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398444 1220877320 /nfs/dbraw/zinc/87/73/20/1220877320.db2.gz SLIFIHCBZYTCBK-IXDOHACOSA-N 1 3 368.522 0.260 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436128 1220882288 /nfs/dbraw/zinc/88/22/88/1220882288.db2.gz LLHBAGCNDWVTGZ-GVDBMIGSSA-N 1 3 365.522 0.428 20 0 FCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001103436128 1220882290 /nfs/dbraw/zinc/88/22/90/1220882290.db2.gz LLHBAGCNDWVTGZ-GVDBMIGSSA-N 1 3 365.522 0.428 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584204 1220908588 /nfs/dbraw/zinc/90/85/88/1220908588.db2.gz HIYBBIDLRBTMHJ-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103719245 1220951448 /nfs/dbraw/zinc/95/14/48/1220951448.db2.gz WKXWQKLSHXQGKC-KBAYOESNSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103719245 1220951453 /nfs/dbraw/zinc/95/14/53/1220951453.db2.gz WKXWQKLSHXQGKC-KBAYOESNSA-N 1 3 364.534 0.881 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103755375 1220965569 /nfs/dbraw/zinc/96/55/69/1220965569.db2.gz FAPLDRQXQFESAQ-KZNAEPCWSA-N 1 3 365.522 0.658 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001103755375 1220965571 /nfs/dbraw/zinc/96/55/71/1220965571.db2.gz FAPLDRQXQFESAQ-KZNAEPCWSA-N 1 3 365.522 0.658 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001103999801 1220996983 /nfs/dbraw/zinc/99/69/83/1220996983.db2.gz LHHWQEMZNKFBLP-RBSFLKMASA-N 1 3 363.462 0.782 20 0 FCADHO CC(=O)N1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001115926172 1221326093 /nfs/dbraw/zinc/32/60/93/1221326093.db2.gz LAEWCHKMFJICHI-UHFFFAOYSA-N 1 3 365.522 0.855 20 0 FCADHO N[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCCCC1 ZINC001118205789 1221733387 /nfs/dbraw/zinc/73/33/87/1221733387.db2.gz QWPOTPSWIYAHMB-IKGGRYGDSA-N 1 3 363.506 0.641 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001118277614 1221749110 /nfs/dbraw/zinc/74/91/10/1221749110.db2.gz KCCOHLKPUCBFKA-ICSRJNTNSA-N 1 3 358.486 0.286 20 0 FCADHO NC(=O)CNC(=O)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001118387867 1221772385 /nfs/dbraw/zinc/77/23/85/1221772385.db2.gz XTUGSXZYXMDALM-KRWDZBQOSA-N 1 3 360.458 0.245 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC001118389500 1221772756 /nfs/dbraw/zinc/77/27/56/1221772756.db2.gz ILYVYUQAQQXIDG-QGZVFWFLSA-N 1 3 368.522 0.498 20 0 FCADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001118482422 1221786748 /nfs/dbraw/zinc/78/67/48/1221786748.db2.gz MWRMUNONFNWDBJ-UHFFFAOYSA-N 1 3 359.434 0.309 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001118551645 1221799656 /nfs/dbraw/zinc/79/96/56/1221799656.db2.gz PARQMUJOBAONEO-HNNXBMFYSA-N 1 3 361.490 0.382 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001120676218 1222113688 /nfs/dbraw/zinc/11/36/88/1222113688.db2.gz VQOQWBHYUNYKHV-BBWFWOEESA-N 1 3 365.522 0.761 20 0 FCADHO Cn1cc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231773178 1226128563 /nfs/dbraw/zinc/12/85/63/1226128563.db2.gz ZZAWPYUNIZIUIK-IRXDYDNUSA-N 1 3 354.454 0.648 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1C[NH+](C)C ZINC000839483695 1222741156 /nfs/dbraw/zinc/74/11/56/1222741156.db2.gz FIDQGPGAVRFBER-ROUUACIJSA-N 1 3 374.485 0.975 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151154 1222810298 /nfs/dbraw/zinc/81/02/98/1222810298.db2.gz HZAOXNZULUHLPJ-MRXNPFEDSA-N 1 3 359.474 0.635 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841153864 1222810615 /nfs/dbraw/zinc/81/06/15/1222810615.db2.gz WYTNNQWPKRKWQE-UHFFFAOYSA-N 1 3 361.490 0.883 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC000841169457 1222812079 /nfs/dbraw/zinc/81/20/79/1222812079.db2.gz LMFUTMRJXWAYFG-INIZCTEOSA-N 1 3 373.501 0.835 20 0 FCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842164666 1222838207 /nfs/dbraw/zinc/83/82/07/1222838207.db2.gz MGYRKXULOWAKRO-QZTJIDSGSA-N 1 3 374.485 0.343 20 0 FCADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CC4CC[NH+]2CC4)CC3)CC1 ZINC001142628900 1222846204 /nfs/dbraw/zinc/84/62/04/1222846204.db2.gz NBZUMHZVPVVXCW-GOSISDBHSA-N 1 3 372.517 0.457 20 0 FCADHO CN1CCN(CCC(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CC1 ZINC001143236200 1222872763 /nfs/dbraw/zinc/87/27/63/1222872763.db2.gz AYVCHCPSMQGYQG-UHFFFAOYSA-N 1 3 368.522 0.722 20 0 FCADHO CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N(CCCC[NH3+])C(=N)N)c2C1 ZINC001149929764 1222892164 /nfs/dbraw/zinc/89/21/64/1222892164.db2.gz ZRNJCKJAFCPGRI-UHFFFAOYSA-N 1 3 365.438 0.735 20 0 FCADHO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[C@@]2(C1)CNCCO2)C(=O)N1CCCC1 ZINC001157371229 1223075515 /nfs/dbraw/zinc/07/55/15/1223075515.db2.gz QCBBRKKSILFFEV-JTDSTZFVSA-N 1 3 366.506 0.381 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157780160 1223082342 /nfs/dbraw/zinc/08/23/42/1223082342.db2.gz CLKBQTHNLIMPNL-MPGHIAIKSA-N 1 3 372.485 0.147 20 0 FCADHO CN(C)c1nc(N2CCN(CC3CC[NH+](C)CC3)CC2)nc2nc[nH]c21 ZINC001157838360 1223082924 /nfs/dbraw/zinc/08/29/24/1223082924.db2.gz VDLAVDUTZOAWHZ-UHFFFAOYSA-N 1 3 358.494 0.883 20 0 FCADHO CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001158191714 1223090781 /nfs/dbraw/zinc/09/07/81/1223090781.db2.gz YIBVUQZEVAZITQ-HNNXBMFYSA-N 1 3 365.478 0.851 20 0 FCADHO Cc1ccc(C[C@H](N)C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c(C)c1 ZINC001158261499 1223092499 /nfs/dbraw/zinc/09/24/99/1223092499.db2.gz MOOIANWPMADUCU-KRWDZBQOSA-N 1 3 368.485 0.886 20 0 FCADHO O=C(c1csc([C@H]2CCCN2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276912 1223093614 /nfs/dbraw/zinc/09/36/14/1223093614.db2.gz GPZKGSZQPNQQPS-GFCCVEGCSA-N 1 3 373.486 0.894 20 0 FCADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282088 1223094206 /nfs/dbraw/zinc/09/42/06/1223094206.db2.gz KIKOYUWMUXUWJM-AEFFLSMTSA-N 1 3 363.506 0.763 20 0 FCADHO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327936 1223094979 /nfs/dbraw/zinc/09/49/79/1223094979.db2.gz RQZQNEZXOKWSDC-GVDBMIGSSA-N 1 3 354.454 0.200 20 0 FCADHO CC(C)(C)OC[C@H]([NH3+])C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158661651 1223104795 /nfs/dbraw/zinc/10/47/95/1223104795.db2.gz YDHOAIJMGZCKOO-ZDUSSCGKSA-N 1 3 374.445 0.786 20 0 FCADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001158791537 1223109334 /nfs/dbraw/zinc/10/93/34/1223109334.db2.gz XBAUTDKPXRMFRV-UONOGXRCSA-N 1 3 362.478 0.244 20 0 FCADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001158791537 1223109336 /nfs/dbraw/zinc/10/93/36/1223109336.db2.gz XBAUTDKPXRMFRV-UONOGXRCSA-N 1 3 362.478 0.244 20 0 FCADHO CCOC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2nn(CC3CC3)cc21 ZINC001158797884 1223109955 /nfs/dbraw/zinc/10/99/55/1223109955.db2.gz CTKRLOFOIBUHSC-RDJZCZTQSA-N 1 3 373.501 0.564 20 0 FCADHO Cn1ncc2c1CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]2COc1cccnc1 ZINC001158842947 1223111154 /nfs/dbraw/zinc/11/11/54/1223111154.db2.gz PVSABTOGZQXOAX-BBRMVZONSA-N 1 3 358.446 0.386 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159227381 1223121140 /nfs/dbraw/zinc/12/11/40/1223121140.db2.gz FBFDDBYFXISCLL-YQVWRLOYSA-N 1 3 362.474 0.815 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001159284492 1223123239 /nfs/dbraw/zinc/12/32/39/1223123239.db2.gz YWXMOIABPACERW-YJBOKZPZSA-N 1 3 372.473 0.772 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159330213 1223124574 /nfs/dbraw/zinc/12/45/74/1223124574.db2.gz PTRSWQUUIVTIJL-DZGCQCFKSA-N 1 3 366.437 0.816 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159387817 1223126111 /nfs/dbraw/zinc/12/61/11/1223126111.db2.gz FTJQQSAYNOUQFA-AWEZNQCLSA-N 1 3 358.450 0.084 20 0 FCADHO O=C(N1Cc2nccn2C[C@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159583985 1223129850 /nfs/dbraw/zinc/12/98/50/1223129850.db2.gz FAHCHEINKKEYLU-SQGPQFPESA-N 1 3 373.501 0.467 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159595273 1223130337 /nfs/dbraw/zinc/13/03/37/1223130337.db2.gz RHAJFNQYRKDNSE-BRWVUGGUSA-N 1 3 354.454 0.592 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159643896 1223132558 /nfs/dbraw/zinc/13/25/58/1223132558.db2.gz RBKJBNGNLSFMNV-KRWDZBQOSA-N 1 3 373.505 0.572 20 0 FCADHO NC(=[NH2+])NCCCCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666251 1223133073 /nfs/dbraw/zinc/13/30/73/1223133073.db2.gz PQWBDWVWOPWOOV-SJORKVTESA-N 1 3 374.489 0.537 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874164 1223138725 /nfs/dbraw/zinc/13/87/25/1223138725.db2.gz QMWGKYBHQHMEEZ-YJBOKZPZSA-N 1 3 362.478 0.131 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298887 1223153560 /nfs/dbraw/zinc/15/35/60/1223153560.db2.gz AUSQUBPNAZROGQ-AUUYWEPGSA-N 1 3 374.441 0.437 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160298890 1223153808 /nfs/dbraw/zinc/15/38/08/1223153808.db2.gz AUSQUBPNAZROGQ-KUHUBIRLSA-N 1 3 374.441 0.437 20 0 FCADHO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001160405954 1223157763 /nfs/dbraw/zinc/15/77/63/1223157763.db2.gz NDKCHQHQOLKVLC-ZIAGYGMSSA-N 1 3 355.446 0.827 20 0 FCADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001160405558 1223157777 /nfs/dbraw/zinc/15/77/77/1223157777.db2.gz IXJOAIDBADKTPB-VIKVFOODSA-N 1 3 353.430 0.165 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160505583 1223163286 /nfs/dbraw/zinc/16/32/86/1223163286.db2.gz ZKQDNXRIFKIPIQ-DLBZAZTESA-N 1 3 368.522 0.722 20 0 FCADHO O=C(Nc1ccccc1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160538299 1223164093 /nfs/dbraw/zinc/16/40/93/1223164093.db2.gz HSHPJYLFKJQTMW-DNVCBOLYSA-N 1 3 357.458 0.562 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)c3ccc4c(n3)CCNC4)C[C@H]1C[NH2+]CC2 ZINC001160819717 1223175797 /nfs/dbraw/zinc/17/57/97/1223175797.db2.gz KWZRSISAJKPLIO-AUUYWEPGSA-N 1 3 358.442 0.342 20 0 FCADHO O=C(c1ccncc1)N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160936010 1223180933 /nfs/dbraw/zinc/18/09/33/1223180933.db2.gz FAQQOSDWMFFMNQ-MRXNPFEDSA-N 1 3 357.458 0.240 20 0 FCADHO O=C(c1ccncc1)N1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160936010 1223180937 /nfs/dbraw/zinc/18/09/37/1223180937.db2.gz FAQQOSDWMFFMNQ-MRXNPFEDSA-N 1 3 357.458 0.240 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3CC[C@@](F)(C[NH3+])C3)cc(=O)oc2c1 ZINC001161247202 1223192321 /nfs/dbraw/zinc/19/23/21/1223192321.db2.gz ZHPGNROWWZYXEK-KBXCAEBGSA-N 1 3 363.389 0.571 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001161318732 1223195620 /nfs/dbraw/zinc/19/56/20/1223195620.db2.gz YJJBXIFWEWTATG-CJNGLKHVSA-N 1 3 372.444 0.582 20 0 FCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001161379816 1223197940 /nfs/dbraw/zinc/19/79/40/1223197940.db2.gz QRKAZNAHPZWTER-MJGOQNOKSA-N 1 3 360.502 0.979 20 0 FCADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C2 ZINC001161603998 1223205729 /nfs/dbraw/zinc/20/57/29/1223205729.db2.gz KUNCRXRXKKZZDZ-AWEZNQCLSA-N 1 3 365.478 0.935 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001162536995 1223218159 /nfs/dbraw/zinc/21/81/59/1223218159.db2.gz CZCQDQNXVHTTJV-CQSZACIVSA-N 1 3 369.425 0.658 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1ccc(CO)cc1)CC2 ZINC001203187150 1223292410 /nfs/dbraw/zinc/29/24/10/1223292410.db2.gz KJKPXHKTLMTQGF-UHFFFAOYSA-N 1 3 374.529 0.849 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207617033 1223461734 /nfs/dbraw/zinc/46/17/34/1223461734.db2.gz MNXIFJKHXJVGLX-KBAYOESNSA-N 1 3 368.522 0.450 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207617033 1223461735 /nfs/dbraw/zinc/46/17/35/1223461735.db2.gz MNXIFJKHXJVGLX-KBAYOESNSA-N 1 3 368.522 0.450 20 0 FCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001208066108 1223512212 /nfs/dbraw/zinc/51/22/12/1223512212.db2.gz OVCDHFJTWIJDDO-NUJGCVRESA-N 1 3 366.506 0.060 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073196 1223513572 /nfs/dbraw/zinc/51/35/72/1223513572.db2.gz FAOIIYKZZGYUPU-YESZJQIVSA-N 1 3 368.522 0.450 20 0 FCADHO CCOCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073196 1223513576 /nfs/dbraw/zinc/51/35/76/1223513576.db2.gz FAOIIYKZZGYUPU-YESZJQIVSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836559 1223652973 /nfs/dbraw/zinc/65/29/73/1223652973.db2.gz NARMLQLEPTZLQR-CRAIPNDOSA-N 1 3 363.506 0.510 20 0 FCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655906 1223929698 /nfs/dbraw/zinc/92/96/98/1223929698.db2.gz WAJYIJUUCNMYCT-GDBMZVCRSA-N 1 3 364.494 0.021 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001214780255 1223941831 /nfs/dbraw/zinc/94/18/31/1223941831.db2.gz RUCAHISYCGMKGG-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001214780255 1223941836 /nfs/dbraw/zinc/94/18/36/1223941836.db2.gz RUCAHISYCGMKGG-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889347 1223952173 /nfs/dbraw/zinc/95/21/73/1223952173.db2.gz JKPCPPHZFFWSSL-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889347 1223952175 /nfs/dbraw/zinc/95/21/75/1223952175.db2.gz JKPCPPHZFFWSSL-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001215014991 1223964092 /nfs/dbraw/zinc/96/40/92/1223964092.db2.gz AGHFJQONZFBALD-DJIMGWMZSA-N 1 3 359.474 0.575 20 0 FCADHO CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215185115 1223980744 /nfs/dbraw/zinc/98/07/44/1223980744.db2.gz ZELUTDMVHPDKCN-MJQPBPLVSA-N 1 3 365.518 0.959 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215226052 1223983628 /nfs/dbraw/zinc/98/36/28/1223983628.db2.gz DSQGGWOXUGQPAO-CRAIPNDOSA-N 1 3 360.502 0.977 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001215220166 1223983901 /nfs/dbraw/zinc/98/39/01/1223983901.db2.gz XFVRXLSNGUZEJJ-CRAIPNDOSA-N 1 3 360.502 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215416579 1223998326 /nfs/dbraw/zinc/99/83/26/1223998326.db2.gz UZSGZRDDVJXQIB-BZUAXINKSA-N 1 3 366.506 0.060 20 0 FCADHO COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453745 1223999966 /nfs/dbraw/zinc/99/99/66/1223999966.db2.gz PTNDLQMOCHAERE-HLLBOEOZSA-N 1 3 368.522 0.306 20 0 FCADHO Cc1ccc(CNC(=O)CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001215458754 1224000517 /nfs/dbraw/zinc/00/05/17/1224000517.db2.gz IPODAGBOWQLBDT-SJLPKXTDSA-N 1 3 360.502 0.999 20 0 FCADHO Cc1ccccc1CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459050 1224000811 /nfs/dbraw/zinc/00/08/11/1224000811.db2.gz VJABIVMNNWJGCR-SJLPKXTDSA-N 1 3 360.502 0.999 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1)[NH+](C)C ZINC001215476425 1224001352 /nfs/dbraw/zinc/00/13/52/1224001352.db2.gz IMPZMNIODCRESX-QGPMSJSTSA-N 1 3 364.490 0.919 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001215972940 1224027814 /nfs/dbraw/zinc/02/78/14/1224027814.db2.gz FYKDCNJENZAIKM-OWCLPIDISA-N 1 3 366.506 0.740 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215977025 1224028019 /nfs/dbraw/zinc/02/80/19/1224028019.db2.gz BTJURFOAMCTJIC-QLFBSQMISA-N 1 3 369.510 0.518 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCC(=O)NC1CC1 ZINC001216326770 1224044647 /nfs/dbraw/zinc/04/46/47/1224044647.db2.gz JJHZTYOUIRRMLK-RDTXWAMCSA-N 1 3 362.518 0.824 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001216514582 1224053579 /nfs/dbraw/zinc/05/35/79/1224053579.db2.gz JSYFDPXJUQHKLU-SOLBZPMBSA-N 1 3 371.522 0.321 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001216830296 1224076025 /nfs/dbraw/zinc/07/60/25/1224076025.db2.gz OFRFIXGJXSIGLT-IAGOWNOFSA-N 1 3 366.506 0.158 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835933 1224077260 /nfs/dbraw/zinc/07/72/60/1224077260.db2.gz ODTYYQYMUSXZOT-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216853930 1224079329 /nfs/dbraw/zinc/07/93/29/1224079329.db2.gz OUXCNXARPOGFDC-JFIYKMOQSA-N 1 3 367.490 0.934 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216852098 1224079336 /nfs/dbraw/zinc/07/93/36/1224079336.db2.gz OVJCAAARNJCYOQ-HUUCEWRRSA-N 1 3 365.526 0.747 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216964518 1224082398 /nfs/dbraw/zinc/08/23/98/1224082398.db2.gz CRGKXDAFJQZCTA-QLFBSQMISA-N 1 3 367.494 0.272 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000993492811 1249586320 /nfs/dbraw/zinc/58/63/20/1249586320.db2.gz SAEPRHPIHPESLJ-RIFZZMRRSA-N 1 3 371.485 0.601 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111650 1245393006 /nfs/dbraw/zinc/39/30/06/1245393006.db2.gz YPWDUHUQGAICOX-HNNXBMFYSA-N 1 3 370.542 0.899 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000911504855 1245501937 /nfs/dbraw/zinc/50/19/37/1245501937.db2.gz NXZSFLIVNPTVOU-UHFFFAOYSA-N 1 3 358.486 0.761 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000917085094 1245548329 /nfs/dbraw/zinc/54/83/29/1245548329.db2.gz XBDWSIFVCPTJOW-CALCHBBNSA-N 1 3 357.502 0.918 20 0 FCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000923321514 1245709885 /nfs/dbraw/zinc/70/98/85/1245709885.db2.gz GPZAMPSBWJEWKM-ZWKOTPCHSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000923321514 1245709890 /nfs/dbraw/zinc/70/98/90/1245709890.db2.gz GPZAMPSBWJEWKM-ZWKOTPCHSA-N 1 3 366.506 0.792 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552817 1247128703 /nfs/dbraw/zinc/12/87/03/1247128703.db2.gz NHTZVBINJPOQTC-USXIJHARSA-N 1 3 366.506 0.155 20 0 FCADHO [NH3+]CCN(CC(=O)NC1CCN([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC001327931689 1265457252 /nfs/dbraw/zinc/45/72/52/1265457252.db2.gz AWOMASHRJZVXPA-IBGZPJMESA-N 1 3 360.502 0.817 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC000976611025 1248291951 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0.555 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1occc1CN(C)C ZINC001080345905 1255856877 /nfs/dbraw/zinc/85/68/77/1255856877.db2.gz DXCXGQIYKUZTMU-UKRRQHHQSA-N 1 3 363.462 0.417 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1occc1CN(C)C ZINC001080345905 1255856883 /nfs/dbraw/zinc/85/68/83/1255856883.db2.gz DXCXGQIYKUZTMU-UKRRQHHQSA-N 1 3 363.462 0.417 20 0 FCADHO CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080903731 1256082884 /nfs/dbraw/zinc/08/28/84/1256082884.db2.gz DMOJQKLXLKNUGU-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001080903731 1256082892 /nfs/dbraw/zinc/08/28/92/1256082892.db2.gz DMOJQKLXLKNUGU-BZUAXINKSA-N 1 3 368.522 0.137 20 0 FCADHO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H](OC)C1 ZINC001081932694 1256458942 /nfs/dbraw/zinc/45/89/42/1256458942.db2.gz SFYOGRPRMBOURN-KBRIMQKVSA-N 1 3 359.430 0.731 20 0 FCADHO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H](OC)C1 ZINC001081932694 1256458945 /nfs/dbraw/zinc/45/89/45/1256458945.db2.gz SFYOGRPRMBOURN-KBRIMQKVSA-N 1 3 359.430 0.731 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)cc1=O ZINC001082520108 1256803212 /nfs/dbraw/zinc/80/32/12/1256803212.db2.gz AQGJZVCTZLHVKI-RRCSTGOVSA-N 1 3 363.458 0.925 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)cc1=O ZINC001082520108 1256803223 /nfs/dbraw/zinc/80/32/23/1256803223.db2.gz AQGJZVCTZLHVKI-RRCSTGOVSA-N 1 3 363.458 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082743097 1257022448 /nfs/dbraw/zinc/02/24/48/1257022448.db2.gz HOGSGEUYBFKUSU-RKVPGOIHSA-N 1 3 366.485 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082851809 1257104064 /nfs/dbraw/zinc/10/40/64/1257104064.db2.gz DIIZXQOMHPRARR-ZTFGCOKTSA-N 1 3 362.518 0.776 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861510 1257112743 /nfs/dbraw/zinc/11/27/43/1257112743.db2.gz DKMGGNVWPUBADC-IIAWOOMASA-N 1 3 363.458 0.927 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861510 1257112747 /nfs/dbraw/zinc/11/27/47/1257112747.db2.gz DKMGGNVWPUBADC-IIAWOOMASA-N 1 3 363.458 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001082863469 1257113836 /nfs/dbraw/zinc/11/38/36/1257113836.db2.gz DPDWUOBSLCGKKJ-BZUAXINKSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082863032 1257113900 /nfs/dbraw/zinc/11/39/00/1257113900.db2.gz GPRNOUDFUJNNPI-IAGOWNOFSA-N 1 3 362.518 0.921 20 0 FCADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@H]2C)nn1C ZINC001082923313 1257146949 /nfs/dbraw/zinc/14/69/49/1257146949.db2.gz DADOERFDAHPSMH-IIDMSEBBSA-N 1 3 363.506 0.633 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC001083148702 1257403621 /nfs/dbraw/zinc/40/36/21/1257403621.db2.gz BAGFBOGFYSMAFF-VVJOJPPRSA-N 1 3 361.486 0.561 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC001083148702 1257403623 /nfs/dbraw/zinc/40/36/23/1257403623.db2.gz BAGFBOGFYSMAFF-VVJOJPPRSA-N 1 3 361.486 0.561 20 0 FCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083864164 1257626762 /nfs/dbraw/zinc/62/67/62/1257626762.db2.gz AOEKSHRYTNDPLH-QRQLOZEOSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962035 1257753248 /nfs/dbraw/zinc/75/32/48/1257753248.db2.gz SKOJPYXSQKBVHV-UNEWFSDZSA-N 1 3 362.474 0.738 20 0 FCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962035 1257753256 /nfs/dbraw/zinc/75/32/56/1257753256.db2.gz SKOJPYXSQKBVHV-UNEWFSDZSA-N 1 3 362.474 0.738 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331185083 1266165055 /nfs/dbraw/zinc/16/50/55/1266165055.db2.gz OCVRVXCAJOYDJS-KSZLIROESA-N 1 3 373.501 0.748 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074897 1258569981 /nfs/dbraw/zinc/56/99/81/1258569981.db2.gz HSRLILXBWBUGHU-ZACQAIPSSA-N 1 3 363.506 0.276 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085074897 1258569982 /nfs/dbraw/zinc/56/99/82/1258569982.db2.gz HSRLILXBWBUGHU-ZACQAIPSSA-N 1 3 363.506 0.276 20 0 FCADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105662636 1258922967 /nfs/dbraw/zinc/92/29/67/1258922967.db2.gz POOHHOXYAPHJAD-RGCFKVTRSA-N 1 3 368.522 0.040 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106662898 1258936048 /nfs/dbraw/zinc/93/60/48/1258936048.db2.gz JAZXPTUPIOMGNC-IXDOHACOSA-N 1 3 366.506 0.014 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)CC3CC3)[C@H](C)C2)C1 ZINC001106666341 1258936919 /nfs/dbraw/zinc/93/69/19/1258936919.db2.gz KZHJBTPWEZHKMZ-LZLYRXPVSA-N 1 3 364.534 0.881 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106665740 1258937387 /nfs/dbraw/zinc/93/73/87/1258937387.db2.gz AEKKGLFMDMAMKV-GVDBMIGSSA-N 1 3 368.522 0.165 20 0 FCADHO COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705004 1258943750 /nfs/dbraw/zinc/94/37/50/1258943750.db2.gz NAGAJYVHWAQETM-QLFBSQMISA-N 1 3 365.478 0.178 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106784116 1258962734 /nfs/dbraw/zinc/96/27/34/1258962734.db2.gz BOLHOFXLFFVOIZ-BRWVUGGUSA-N 1 3 370.538 0.554 20 0 FCADHO C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(CC(=O)N1CCC1)CC2)C1CC1 ZINC001107439166 1259087575 /nfs/dbraw/zinc/08/75/75/1259087575.db2.gz TXZDYJMXEHMYFO-YVWKXTFCSA-N 1 3 362.518 0.920 20 0 FCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571658 1259181266 /nfs/dbraw/zinc/18/12/66/1259181266.db2.gz WIHZJUZMZPKGAW-AEFFLSMTSA-N 1 3 368.522 0.355 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001200536722 1259416632 /nfs/dbraw/zinc/41/66/32/1259416632.db2.gz GCBRJQIVZXJDMN-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001200536722 1259416634 /nfs/dbraw/zinc/41/66/34/1259416634.db2.gz GCBRJQIVZXJDMN-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC001331667371 1266262296 /nfs/dbraw/zinc/26/22/96/1266262296.db2.gz IGEDNRQTFWBKEP-XLAORIBOSA-N 1 3 356.470 0.573 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]1C2 ZINC001236026848 1259586993 /nfs/dbraw/zinc/58/69/93/1259586993.db2.gz KWXDENDDNNJCJX-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]1C2 ZINC001236026848 1259587001 /nfs/dbraw/zinc/58/70/01/1259587001.db2.gz KWXDENDDNNJCJX-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]1C2 ZINC001236026848 1259587010 /nfs/dbraw/zinc/58/70/10/1259587010.db2.gz KWXDENDDNNJCJX-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]1C2 ZINC001236026848 1259587019 /nfs/dbraw/zinc/58/70/19/1259587019.db2.gz KWXDENDDNNJCJX-OLMMMNRUSA-N 1 3 368.441 0.697 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)COc1ccc(CCOC)cc1 ZINC001246022285 1259644093 /nfs/dbraw/zinc/64/40/93/1259644093.db2.gz XBBQYBGWNHYORD-AEFFLSMTSA-N 1 3 367.490 0.448 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246549323 1259655093 /nfs/dbraw/zinc/65/50/93/1259655093.db2.gz KAVRMPWURACSIG-MGPQQGTHSA-N 1 3 362.478 0.414 20 0 FCADHO COc1ccc(CN2CC[C@@H]([N@@H+]3C[C@@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246580737 1259656948 /nfs/dbraw/zinc/65/69/48/1259656948.db2.gz OGWVKUMTICDRSA-ZMSDIMECSA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@@H]([N@H+]3C[C@@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246580737 1259656958 /nfs/dbraw/zinc/65/69/58/1259656958.db2.gz OGWVKUMTICDRSA-ZMSDIMECSA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@@H](N3C[C@@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246580737 1259656968 /nfs/dbraw/zinc/65/69/68/1259656968.db2.gz OGWVKUMTICDRSA-ZMSDIMECSA-N 1 3 363.458 0.446 20 0 FCADHO CCOC(=O)[C@@H]1CC[C@H](N2C[C@@H]3C[NH2+]CCC[C@]3(C(=O)OCC)C2)CN1 ZINC001246609373 1259657955 /nfs/dbraw/zinc/65/79/55/1259657955.db2.gz MZHPTNWAICAFQP-FPXQBCRKSA-N 1 3 367.490 0.535 20 0 FCADHO c1ccc(OCc2nnc3n2CCN([C@H]2CCNC4(C[NH2+]C4)C2)CC3)nc1 ZINC001246696049 1259661151 /nfs/dbraw/zinc/66/11/51/1259661151.db2.gz PGEHAJSTEXTKLJ-HNNXBMFYSA-N 1 3 369.473 0.204 20 0 FCADHO c1ncn2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1cccnc1)C2 ZINC001246718642 1259668821 /nfs/dbraw/zinc/66/88/21/1259668821.db2.gz JMYZSSQYMHOHGD-DLBZAZTESA-N 1 3 368.485 0.883 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335461515 1259671391 /nfs/dbraw/zinc/67/13/91/1259671391.db2.gz WKKCPGDGFOOKFI-ARFHVFGLSA-N 1 3 352.479 0.308 20 0 FCADHO c1cnc(N2CCC[C@@]3(C2)CN([C@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756222 1259681445 /nfs/dbraw/zinc/68/14/45/1259681445.db2.gz MUQJVBUYKIKVMP-LPHOPBHVSA-N 1 3 358.490 0.242 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181598 1259826040 /nfs/dbraw/zinc/82/60/40/1259826040.db2.gz FVHUUDBINHIKSU-ZWKOTPCHSA-N 1 3 365.518 0.816 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001253448541 1259839275 /nfs/dbraw/zinc/83/92/75/1259839275.db2.gz OERXCMROSFPLDU-QGZVFWFLSA-N 1 3 365.518 0.987 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001253448541 1259839282 /nfs/dbraw/zinc/83/92/82/1259839282.db2.gz OERXCMROSFPLDU-QGZVFWFLSA-N 1 3 365.518 0.987 20 0 FCADHO C[C@H](CC(=O)N1CCOCC1)[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001256342619 1259948562 /nfs/dbraw/zinc/94/85/62/1259948562.db2.gz IAMLVYUAKCEXJB-OAHLLOKOSA-N 1 3 366.506 0.286 20 0 FCADHO COCC1(CNC(=O)N2CCC(N3CCN(C)CC3)CC2)CC[NH2+]CC1 ZINC001331876589 1266298009 /nfs/dbraw/zinc/29/80/09/1266298009.db2.gz DKDLXOARKQTADZ-UHFFFAOYSA-N 1 3 367.538 0.424 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500434 1260151787 /nfs/dbraw/zinc/15/17/87/1260151787.db2.gz RUBOIXGGBNIWGS-BEFAXECRSA-N 1 3 368.522 0.578 20 0 FCADHO CN1CCN(C2CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC2)CC1 ZINC001261874440 1260205801 /nfs/dbraw/zinc/20/58/01/1260205801.db2.gz AGTASBKHHUFYIA-UHFFFAOYSA-N 1 3 359.474 0.322 20 0 FCADHO O[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750155 1260213152 /nfs/dbraw/zinc/21/31/52/1260213152.db2.gz NIRDOEZVYJTGOB-QUCCMNQESA-N 1 3 364.486 0.770 20 0 FCADHO O[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC001336750155 1260213158 /nfs/dbraw/zinc/21/31/58/1260213158.db2.gz NIRDOEZVYJTGOB-QUCCMNQESA-N 1 3 364.486 0.770 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3ccc(CCO)cc3)C2)OCC1=O ZINC001277918557 1260677236 /nfs/dbraw/zinc/67/72/36/1260677236.db2.gz ZZDWPTPLIJAFJM-HXUWFJFHSA-N 1 3 361.486 0.586 20 0 FCADHO CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cc[nH]c4)CC3)[C@H]2C1 ZINC001279309971 1260834903 /nfs/dbraw/zinc/83/49/03/1260834903.db2.gz QSORNTJIODFJSA-HOTGVXAUSA-N 1 3 359.474 0.115 20 0 FCADHO CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cc[nH]c4)CC3)[C@H]2C1 ZINC001279309971 1260834909 /nfs/dbraw/zinc/83/49/09/1260834909.db2.gz QSORNTJIODFJSA-HOTGVXAUSA-N 1 3 359.474 0.115 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@H]2COC(C)(C)O2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279469847 1260875596 /nfs/dbraw/zinc/87/55/96/1260875596.db2.gz PZDRTCQHJOXOFL-QFBILLFUSA-N 1 3 368.522 0.356 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2CCN(C[C@@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892307 1260953492 /nfs/dbraw/zinc/95/34/92/1260953492.db2.gz FUDUBUKMJDIFPR-MAUKXSAKSA-N 1 3 361.490 0.877 20 0 FCADHO COCCC[NH+]1CCC(N2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001280097902 1261002259 /nfs/dbraw/zinc/00/22/59/1261002259.db2.gz JLHGPUJFQIHMLX-UHFFFAOYSA-N 1 3 365.482 0.362 20 0 FCADHO C[NH+]1CCC(CN2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)CC1 ZINC001280126266 1261012033 /nfs/dbraw/zinc/01/20/33/1261012033.db2.gz VGVQEIYPRBSZII-JKSUJKDBSA-N 1 3 364.465 0.975 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259418 1261043782 /nfs/dbraw/zinc/04/37/82/1261043782.db2.gz OMLRYFJMEYMBPV-WBVHZDCISA-N 1 3 361.490 0.706 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259418 1261043788 /nfs/dbraw/zinc/04/37/88/1261043788.db2.gz OMLRYFJMEYMBPV-WBVHZDCISA-N 1 3 361.490 0.706 20 0 FCADHO CN1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259418 1261043793 /nfs/dbraw/zinc/04/37/93/1261043793.db2.gz OMLRYFJMEYMBPV-WBVHZDCISA-N 1 3 361.490 0.706 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001281857449 1261238602 /nfs/dbraw/zinc/23/86/02/1261238602.db2.gz NLTXRYFAIDOPFQ-IXDOHACOSA-N 1 3 368.522 0.545 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001281857449 1261238604 /nfs/dbraw/zinc/23/86/04/1261238604.db2.gz NLTXRYFAIDOPFQ-IXDOHACOSA-N 1 3 368.522 0.545 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1O ZINC001289146531 1262127596 /nfs/dbraw/zinc/12/75/96/1262127596.db2.gz UQSZRMZTBBDOLU-BRWVUGGUSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1O ZINC001289146531 1262127598 /nfs/dbraw/zinc/12/75/98/1262127598.db2.gz UQSZRMZTBBDOLU-BRWVUGGUSA-N 1 3 368.522 0.138 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC001580383944 1278199732 /nfs/dbraw/zinc/19/97/32/1278199732.db2.gz GEVHPFDBNLQOAG-KSZLIROESA-N 1 3 366.506 0.778 20 0 FCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001316698769 1263427878 /nfs/dbraw/zinc/42/78/78/1263427878.db2.gz KPIXUYFNYOSQFD-KFWWJZLASA-N 1 3 364.494 0.149 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC[C@H]3CCCO3)CCC2)CC[N@@H+]1C ZINC001484634341 1263481353 /nfs/dbraw/zinc/48/13/53/1263481353.db2.gz LMEODKROEIYCDZ-BZUAXINKSA-N 1 3 366.506 0.250 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC[C@H]3CCCO3)CCC2)CC[N@H+]1C ZINC001484634341 1263481358 /nfs/dbraw/zinc/48/13/58/1263481358.db2.gz LMEODKROEIYCDZ-BZUAXINKSA-N 1 3 366.506 0.250 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318662291 1263597811 /nfs/dbraw/zinc/59/78/11/1263597811.db2.gz RYAHRUNMUISPBR-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318662291 1263597814 /nfs/dbraw/zinc/59/78/14/1263597814.db2.gz RYAHRUNMUISPBR-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001580385560 1278207909 /nfs/dbraw/zinc/20/79/09/1278207909.db2.gz OISLWXQOPGZJQM-XOKHGSTOSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001580385560 1278207918 /nfs/dbraw/zinc/20/79/18/1278207918.db2.gz OISLWXQOPGZJQM-XOKHGSTOSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001580385560 1278207923 /nfs/dbraw/zinc/20/79/23/1278207923.db2.gz OISLWXQOPGZJQM-XOKHGSTOSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001580385560 1278207929 /nfs/dbraw/zinc/20/79/29/1278207929.db2.gz OISLWXQOPGZJQM-XOKHGSTOSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H](C(=O)NC1CC1)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001506957907 1264347985 /nfs/dbraw/zinc/34/79/85/1264347985.db2.gz FKUBURXHIRZLCL-JKIFEVAISA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H](C(=O)NC1CC1)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001506957907 1264347990 /nfs/dbraw/zinc/34/79/90/1264347990.db2.gz FKUBURXHIRZLCL-JKIFEVAISA-N 1 3 350.507 0.917 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC001325087848 1264771211 /nfs/dbraw/zinc/77/12/11/1264771211.db2.gz ZHAJLSOZJIJRFT-YLJYHZDGSA-N 1 3 360.502 0.785 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580406623 1278244956 /nfs/dbraw/zinc/24/49/56/1278244956.db2.gz QVBBAVPGSHKHOV-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580406623 1278244961 /nfs/dbraw/zinc/24/49/61/1278244961.db2.gz QVBBAVPGSHKHOV-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001580406623 1278244977 /nfs/dbraw/zinc/24/49/77/1278244977.db2.gz QVBBAVPGSHKHOV-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001580406623 1278244988 /nfs/dbraw/zinc/24/49/88/1278244988.db2.gz QVBBAVPGSHKHOV-DGCLKSJQSA-N 1 3 361.425 0.552 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513418023 1265110403 /nfs/dbraw/zinc/11/04/03/1265110403.db2.gz FKONSUGWMFUCIS-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580408200 1278248095 /nfs/dbraw/zinc/24/80/95/1278248095.db2.gz FHJCQDBXUPIEDA-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580408200 1278248100 /nfs/dbraw/zinc/24/81/00/1278248100.db2.gz FHJCQDBXUPIEDA-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580408200 1278248105 /nfs/dbraw/zinc/24/81/05/1278248105.db2.gz FHJCQDBXUPIEDA-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580408200 1278248110 /nfs/dbraw/zinc/24/81/10/1278248110.db2.gz FHJCQDBXUPIEDA-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326560279 1265134839 /nfs/dbraw/zinc/13/48/39/1265134839.db2.gz IDBOVXXBDNOQRQ-KXBFYZLASA-N 1 3 362.474 0.757 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001326592679 1265137987 /nfs/dbraw/zinc/13/79/87/1265137987.db2.gz RESOMRAAYLZRTP-GVDBMIGSSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001326592678 1265138585 /nfs/dbraw/zinc/13/85/85/1265138585.db2.gz RESOMRAAYLZRTP-BBWFWOEESA-N 1 3 368.522 0.545 20 0 FCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001333179545 1266548501 /nfs/dbraw/zinc/54/85/01/1266548501.db2.gz URUKOERDNPFELP-HNNXBMFYSA-N 1 3 361.490 0.400 20 0 FCADHO C[C@H](NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001334211937 1266886912 /nfs/dbraw/zinc/88/69/12/1266886912.db2.gz BUCJZASWFMGYOO-HOTGVXAUSA-N 1 3 365.522 0.890 20 0 FCADHO CN1CCN(c2cccc(C(=O)N3CC[C@@H](N4CC[NH+](C)CC4)C3)n2)CC1 ZINC001550002710 1268042277 /nfs/dbraw/zinc/04/22/77/1268042277.db2.gz UKPOWMKLKYFWMI-QGZVFWFLSA-N 1 3 372.517 0.295 20 0 FCADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)N(C)C1 ZINC001550284098 1268104209 /nfs/dbraw/zinc/10/42/09/1268104209.db2.gz WPTIBACBVAXERB-OAGGEKHMSA-N 1 3 354.495 0.506 20 0 FCADHO Cc1ccc(CNC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550912648 1268183874 /nfs/dbraw/zinc/18/38/74/1268183874.db2.gz JKLCELHCHCKZST-FXAWDEMLSA-N 1 3 358.486 0.848 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC001550912064 1268184099 /nfs/dbraw/zinc/18/40/99/1268184099.db2.gz FFXITPBIBNFFST-GUYCJALGSA-N 1 3 365.865 0.910 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001551156011 1268209094 /nfs/dbraw/zinc/20/90/94/1268209094.db2.gz ACOIKYDZHSZPND-VIHIWDAPSA-N 1 3 351.491 0.999 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001551156011 1268209102 /nfs/dbraw/zinc/20/91/02/1268209102.db2.gz ACOIKYDZHSZPND-VIHIWDAPSA-N 1 3 351.491 0.999 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156013 1268209572 /nfs/dbraw/zinc/20/95/72/1268209572.db2.gz ACOIKYDZHSZPND-VZDIDWBNSA-N 1 3 351.491 0.999 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001551156013 1268209579 /nfs/dbraw/zinc/20/95/79/1268209579.db2.gz ACOIKYDZHSZPND-VZDIDWBNSA-N 1 3 351.491 0.999 20 0 FCADHO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001551489319 1268260596 /nfs/dbraw/zinc/26/05/96/1268260596.db2.gz BWQZYLLAZSXYMR-MJEZEWASSA-N 1 3 372.469 0.703 20 0 FCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551573477 1268274528 /nfs/dbraw/zinc/27/45/28/1268274528.db2.gz WPEXEXJTEZOHMR-ZMSDIMECSA-N 1 3 351.495 0.417 20 0 FCADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199596 1268407526 /nfs/dbraw/zinc/40/75/26/1268407526.db2.gz AVDYRPQFUKNLGH-FXAWDEMLSA-N 1 3 359.470 0.496 20 0 FCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552257989 1268424529 /nfs/dbraw/zinc/42/45/29/1268424529.db2.gz PZDZWJBHMBBSQY-CRWXNKLISA-N 1 3 350.442 0.771 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@H]4C[NH+](C)C[C@@H]4C3)ccc2[nH]c1=O ZINC001552264817 1268426944 /nfs/dbraw/zinc/42/69/44/1268426944.db2.gz JQSULYJIOSWSJW-HUUCEWRRSA-N 1 3 357.458 0.937 20 0 FCADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001340185175 1268463131 /nfs/dbraw/zinc/46/31/31/1268463131.db2.gz RWVJMIDYJUOTJA-BFYDXBDKSA-N 1 3 356.511 0.482 20 0 FCADHO COCCN1CCC(NC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552692972 1268522104 /nfs/dbraw/zinc/52/21/04/1268522104.db2.gz DBQFMKHDOMANCW-GDBMZVCRSA-N 1 3 350.467 0.561 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552693347 1268522258 /nfs/dbraw/zinc/52/22/58/1268522258.db2.gz AIGMCHRUVLJIOE-VYDXJSESSA-N 1 3 363.510 0.476 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553405799 1268646240 /nfs/dbraw/zinc/64/62/40/1268646240.db2.gz DPHCKEKDUZJSEI-UFYCRDLUSA-N 1 3 372.513 0.960 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1)[NH+](CC)CC ZINC001341514764 1269046231 /nfs/dbraw/zinc/04/62/31/1269046231.db2.gz JYSBBGUOPJHWKH-OWCLPIDISA-N 1 3 368.522 0.279 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1)[NH+](CC)CC ZINC001341514761 1269046741 /nfs/dbraw/zinc/04/67/41/1269046741.db2.gz JYSBBGUOPJHWKH-BZUAXINKSA-N 1 3 368.522 0.279 20 0 FCADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037537 1269405432 /nfs/dbraw/zinc/40/54/32/1269405432.db2.gz OIOBTCXPTJPQAC-IAGOWNOFSA-N 1 3 355.527 0.016 20 0 FCADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037537 1269405436 /nfs/dbraw/zinc/40/54/36/1269405436.db2.gz OIOBTCXPTJPQAC-IAGOWNOFSA-N 1 3 355.527 0.016 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1OC ZINC001572962260 1270416587 /nfs/dbraw/zinc/41/65/87/1270416587.db2.gz NATUDYHATWLKLZ-HZPDHXFCSA-N 1 3 368.522 0.545 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1OC ZINC001572962260 1270416591 /nfs/dbraw/zinc/41/65/91/1270416591.db2.gz NATUDYHATWLKLZ-HZPDHXFCSA-N 1 3 368.522 0.545 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCC1)c1cn(C2C[NH2+]C2)nn1 ZINC001580635140 1278599096 /nfs/dbraw/zinc/59/90/96/1278599096.db2.gz KPVKGWZMTRXUQD-UHFFFAOYSA-N 1 3 350.492 0.514 20 0 FCADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580655567 1278637876 /nfs/dbraw/zinc/63/78/76/1278637876.db2.gz ZLSSDDSAKSKYIJ-GOSISDBHSA-N 1 3 357.502 0.950 20 0 FCADHO C[C@H](C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786633 1271521229 /nfs/dbraw/zinc/52/12/29/1271521229.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574786633 1271521235 /nfs/dbraw/zinc/52/12/35/1271521235.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574786633 1271521241 /nfs/dbraw/zinc/52/12/41/1271521241.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574786633 1271521247 /nfs/dbraw/zinc/52/12/47/1271521247.db2.gz WCAGBUHGOOAXFB-UKRRQHHQSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575383280 1272025004 /nfs/dbraw/zinc/02/50/04/1272025004.db2.gz DZKTXJSWGLGRGD-NWDGAFQWSA-N 1 3 363.441 0.940 20 0 FCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575383282 1272026054 /nfs/dbraw/zinc/02/60/54/1272026054.db2.gz DZKTXJSWGLGRGD-RYUDHWBXSA-N 1 3 363.441 0.940 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1CCN1CCCC1 ZINC001575712344 1272352197 /nfs/dbraw/zinc/35/21/97/1272352197.db2.gz OPKFUEFCRWIWMT-LSDHHAIUSA-N 1 3 363.510 0.686 20 0 FCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CC2(C[NH2+]C2)C1 ZINC001580682648 1278706452 /nfs/dbraw/zinc/70/64/52/1278706452.db2.gz KAWBCWYTTSKZGB-UHFFFAOYSA-N 1 3 357.502 0.809 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)CN)C1 ZINC001576259542 1273047922 /nfs/dbraw/zinc/04/79/22/1273047922.db2.gz RIYKYAHUGFSMOW-CXAGYDPISA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](C[C@](C)(O)CN)C1 ZINC001576259542 1273047929 /nfs/dbraw/zinc/04/79/29/1273047929.db2.gz RIYKYAHUGFSMOW-CXAGYDPISA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@](C)(O)C[NH3+])C1 ZINC001576259542 1273047943 /nfs/dbraw/zinc/04/79/43/1273047943.db2.gz RIYKYAHUGFSMOW-CXAGYDPISA-N 1 3 358.483 0.049 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794289 1273698230 /nfs/dbraw/zinc/69/82/30/1273698230.db2.gz DUELENXRHQOBGK-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576794289 1273698236 /nfs/dbraw/zinc/69/82/36/1273698236.db2.gz DUELENXRHQOBGK-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794289 1273698245 /nfs/dbraw/zinc/69/82/45/1273698245.db2.gz DUELENXRHQOBGK-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576794289 1273698250 /nfs/dbraw/zinc/69/82/50/1273698250.db2.gz DUELENXRHQOBGK-HOTGVXAUSA-N 1 3 357.462 0.803 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC001577684784 1274739235 /nfs/dbraw/zinc/73/92/35/1274739235.db2.gz KIFBJPQULPCQGI-HNNXBMFYSA-N 1 3 353.511 0.570 20 0 FCADHO CCN1CCN([C@H]2CCN(c3nnc(C)n3C[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001577775995 1274867197 /nfs/dbraw/zinc/86/71/97/1274867197.db2.gz UWYRXHJHKRMOPS-ROUUACIJSA-N 1 3 361.538 0.802 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001577871795 1275060073 /nfs/dbraw/zinc/06/00/73/1275060073.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001577871795 1275060083 /nfs/dbraw/zinc/06/00/83/1275060083.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001577871795 1275060090 /nfs/dbraw/zinc/06/00/90/1275060090.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001577871795 1275060096 /nfs/dbraw/zinc/06/00/96/1275060096.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001577871795 1275060101 /nfs/dbraw/zinc/06/01/01/1275060101.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001577871795 1275060108 /nfs/dbraw/zinc/06/01/08/1275060108.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001577871795 1275060117 /nfs/dbraw/zinc/06/01/17/1275060117.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001577871795 1275060122 /nfs/dbraw/zinc/06/01/22/1275060122.db2.gz OJXSYJNOGJXZEC-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CCc1nnc(N2CC[C@H]([NH2+]C)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001578314872 1275655387 /nfs/dbraw/zinc/65/53/87/1275655387.db2.gz FGGMVNDDUNEXCT-SJORKVTESA-N 1 3 363.554 0.912 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001578971076 1276516340 /nfs/dbraw/zinc/51/63/40/1276516340.db2.gz SLTCOWAZUHDMFW-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001578971076 1276516343 /nfs/dbraw/zinc/51/63/43/1276516343.db2.gz SLTCOWAZUHDMFW-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578973438 1276519674 /nfs/dbraw/zinc/51/96/74/1276519674.db2.gz OEMDHDMXBFQTHW-UHFFFAOYSA-N 1 3 357.462 0.897 20 0 FCADHO CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578973438 1276519676 /nfs/dbraw/zinc/51/96/76/1276519676.db2.gz OEMDHDMXBFQTHW-UHFFFAOYSA-N 1 3 357.462 0.897 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001578974962 1276524593 /nfs/dbraw/zinc/52/45/93/1276524593.db2.gz YJTNPVJOQOKSFD-ZDUSSCGKSA-N 1 3 361.425 0.648 20 0 FCADHO C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001578974897 1276524807 /nfs/dbraw/zinc/52/48/07/1276524807.db2.gz WNPNFABCVCYSTA-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001578974897 1276524809 /nfs/dbraw/zinc/52/48/09/1276524809.db2.gz WNPNFABCVCYSTA-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001578974897 1276524812 /nfs/dbraw/zinc/52/48/12/1276524812.db2.gz WNPNFABCVCYSTA-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001578974897 1276524815 /nfs/dbraw/zinc/52/48/15/1276524815.db2.gz WNPNFABCVCYSTA-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578983128 1276547500 /nfs/dbraw/zinc/54/75/00/1276547500.db2.gz CFXORGQRXQQSME-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578983128 1276547504 /nfs/dbraw/zinc/54/75/04/1276547504.db2.gz CFXORGQRXQQSME-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578984201 1276549490 /nfs/dbraw/zinc/54/94/90/1276549490.db2.gz WAMWOCWHRZFUDM-OAHLLOKOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578984201 1276549498 /nfs/dbraw/zinc/54/94/98/1276549498.db2.gz WAMWOCWHRZFUDM-OAHLLOKOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C[NH+](C)C ZINC001578992122 1276565787 /nfs/dbraw/zinc/56/57/87/1276565787.db2.gz MYLAFCCIXGFLLV-HZPDHXFCSA-N 1 3 357.462 0.678 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C[NH+](C)C ZINC001578992122 1276565792 /nfs/dbraw/zinc/56/57/92/1276565792.db2.gz MYLAFCCIXGFLLV-HZPDHXFCSA-N 1 3 357.462 0.678 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579323178 1277139242 /nfs/dbraw/zinc/13/92/42/1277139242.db2.gz QZDFIURVTJSRCL-QQFBHYJXSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001579323178 1277139244 /nfs/dbraw/zinc/13/92/44/1277139244.db2.gz QZDFIURVTJSRCL-QQFBHYJXSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579323178 1277139262 /nfs/dbraw/zinc/13/92/62/1277139262.db2.gz QZDFIURVTJSRCL-QQFBHYJXSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001579323178 1277139264 /nfs/dbraw/zinc/13/92/64/1277139264.db2.gz QZDFIURVTJSRCL-QQFBHYJXSA-N 1 3 369.473 0.897 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325464 1277148132 /nfs/dbraw/zinc/14/81/32/1277148132.db2.gz CWQBBQUNPWPODO-KBPBESRZSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001579325464 1277148135 /nfs/dbraw/zinc/14/81/35/1277148135.db2.gz CWQBBQUNPWPODO-KBPBESRZSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325464 1277148136 /nfs/dbraw/zinc/14/81/36/1277148136.db2.gz CWQBBQUNPWPODO-KBPBESRZSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001579325464 1277148139 /nfs/dbraw/zinc/14/81/39/1277148139.db2.gz CWQBBQUNPWPODO-KBPBESRZSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326824 1277151856 /nfs/dbraw/zinc/15/18/56/1277151856.db2.gz MUYAKKOZHLDLQR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326824 1277151859 /nfs/dbraw/zinc/15/18/59/1277151859.db2.gz MUYAKKOZHLDLQR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326824 1277151863 /nfs/dbraw/zinc/15/18/63/1277151863.db2.gz MUYAKKOZHLDLQR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326824 1277151867 /nfs/dbraw/zinc/15/18/67/1277151867.db2.gz MUYAKKOZHLDLQR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327898 1277157651 /nfs/dbraw/zinc/15/76/51/1277157651.db2.gz YKFFTTQOYOVANM-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327898 1277157652 /nfs/dbraw/zinc/15/76/52/1277157652.db2.gz YKFFTTQOYOVANM-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327898 1277157654 /nfs/dbraw/zinc/15/76/54/1277157654.db2.gz YKFFTTQOYOVANM-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327898 1277157671 /nfs/dbraw/zinc/15/76/71/1277157671.db2.gz YKFFTTQOYOVANM-JKSUJKDBSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333734 1277169293 /nfs/dbraw/zinc/16/92/93/1277169293.db2.gz SNJAXOHZDYTLDV-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333734 1277169295 /nfs/dbraw/zinc/16/92/95/1277169295.db2.gz SNJAXOHZDYTLDV-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333734 1277169297 /nfs/dbraw/zinc/16/92/97/1277169297.db2.gz SNJAXOHZDYTLDV-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333734 1277169299 /nfs/dbraw/zinc/16/92/99/1277169299.db2.gz SNJAXOHZDYTLDV-IAGOWNOFSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340401 1277185634 /nfs/dbraw/zinc/18/56/34/1277185634.db2.gz WWMFELWGHIDNFM-SIXLDLHFSA-N 1 3 367.457 0.365 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340401 1277185638 /nfs/dbraw/zinc/18/56/38/1277185638.db2.gz WWMFELWGHIDNFM-SIXLDLHFSA-N 1 3 367.457 0.365 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340401 1277185640 /nfs/dbraw/zinc/18/56/40/1277185640.db2.gz WWMFELWGHIDNFM-SIXLDLHFSA-N 1 3 367.457 0.365 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001579340401 1277185643 /nfs/dbraw/zinc/18/56/43/1277185643.db2.gz WWMFELWGHIDNFM-SIXLDLHFSA-N 1 3 367.457 0.365 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339974 1277185949 /nfs/dbraw/zinc/18/59/49/1277185949.db2.gz OTJFDPLCDXACDK-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339974 1277185950 /nfs/dbraw/zinc/18/59/50/1277185950.db2.gz OTJFDPLCDXACDK-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339974 1277185951 /nfs/dbraw/zinc/18/59/51/1277185951.db2.gz OTJFDPLCDXACDK-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339974 1277185952 /nfs/dbraw/zinc/18/59/52/1277185952.db2.gz OTJFDPLCDXACDK-BZUAXINKSA-N 1 3 355.446 0.555 20 0 FCADHO C[NH+]1CCC(OCC(=O)NCC[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001579350945 1277206249 /nfs/dbraw/zinc/20/62/49/1277206249.db2.gz KAGZTSHDGQQXID-UHFFFAOYSA-N 1 3 373.461 0.183 20 0 FCADHO C[NH+]1CCC(OCC(=O)NCC[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001579350945 1277206286 /nfs/dbraw/zinc/20/62/86/1277206286.db2.gz KAGZTSHDGQQXID-UHFFFAOYSA-N 1 3 373.461 0.183 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC001580258854 1278058010 /nfs/dbraw/zinc/05/80/10/1278058010.db2.gz ZWYUGYYIFJOFMK-GJZGRUSLSA-N 1 3 351.495 0.629 20 0 FCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@H](O)CC2(O)CCCCC2)C1 ZINC001580857871 1279054272 /nfs/dbraw/zinc/05/42/72/1279054272.db2.gz ADONYCHRAWAMCS-JJXSEGSLSA-N 1 3 353.463 0.300 20 0 FCADHO Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994991 1279203792 /nfs/dbraw/zinc/20/37/92/1279203792.db2.gz VFQDDMYGEIQGSK-BBRMVZONSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(N[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994991 1279203800 /nfs/dbraw/zinc/20/38/00/1279203800.db2.gz VFQDDMYGEIQGSK-BBRMVZONSA-N 1 3 372.477 0.781 20 0 FCADHO Cc1cc(C)n(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(=O)n1 ZINC001583984515 1282127826 /nfs/dbraw/zinc/12/78/26/1282127826.db2.gz FYPARNIRUKFWCY-UHFFFAOYSA-N 1 3 361.490 0.535 20 0 FCADHO C[C@@H](CC[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589828314 1283067106 /nfs/dbraw/zinc/06/71/06/1283067106.db2.gz OJRKDCKSMPAROH-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001589828314 1283067113 /nfs/dbraw/zinc/06/71/13/1283067113.db2.gz OJRKDCKSMPAROH-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956963 1283146792 /nfs/dbraw/zinc/14/67/92/1283146792.db2.gz FBVSJYWQMSTBKJ-CJNGLKHVSA-N 1 3 358.446 0.846 20 0 FCADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956963 1283146796 /nfs/dbraw/zinc/14/67/96/1283146796.db2.gz FBVSJYWQMSTBKJ-CJNGLKHVSA-N 1 3 358.446 0.846 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1OC ZINC001683325790 1283943330 /nfs/dbraw/zinc/94/33/30/1283943330.db2.gz VYTOBORPPAWOHS-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1OC ZINC001683325790 1283943339 /nfs/dbraw/zinc/94/33/39/1283943339.db2.gz VYTOBORPPAWOHS-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591069030 1284129150 /nfs/dbraw/zinc/12/91/50/1284129150.db2.gz DJBSMJGSSNANIV-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591069030 1284129151 /nfs/dbraw/zinc/12/91/51/1284129151.db2.gz DJBSMJGSSNANIV-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591069030 1284129154 /nfs/dbraw/zinc/12/91/54/1284129154.db2.gz DJBSMJGSSNANIV-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591069030 1284129156 /nfs/dbraw/zinc/12/91/56/1284129156.db2.gz DJBSMJGSSNANIV-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)N(C)C ZINC001719104847 1287739992 /nfs/dbraw/zinc/73/99/92/1287739992.db2.gz QQVHXOIZXJJBGS-JFIYKMOQSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001702472560 1285691111 /nfs/dbraw/zinc/69/11/11/1285691111.db2.gz DWIWMYZYMQPLEA-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001702472560 1285691115 /nfs/dbraw/zinc/69/11/15/1285691115.db2.gz DWIWMYZYMQPLEA-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001702472562 1285691132 /nfs/dbraw/zinc/69/11/32/1285691132.db2.gz DWIWMYZYMQPLEA-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001702472562 1285691134 /nfs/dbraw/zinc/69/11/34/1285691134.db2.gz DWIWMYZYMQPLEA-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC001604854361 1287799758 /nfs/dbraw/zinc/79/97/58/1287799758.db2.gz LXFXXOMKEDHVCY-KRWDZBQOSA-N 1 3 369.473 0.899 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001604962172 1287820716 /nfs/dbraw/zinc/82/07/16/1287820716.db2.gz JIXWQGITKZEGKS-BORJPKMPSA-N 1 3 372.429 0.112 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001604962172 1287820719 /nfs/dbraw/zinc/82/07/19/1287820719.db2.gz JIXWQGITKZEGKS-BORJPKMPSA-N 1 3 372.429 0.112 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001604962172 1287820724 /nfs/dbraw/zinc/82/07/24/1287820724.db2.gz JIXWQGITKZEGKS-BORJPKMPSA-N 1 3 372.429 0.112 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001604962172 1287820728 /nfs/dbraw/zinc/82/07/28/1287820728.db2.gz JIXWQGITKZEGKS-BORJPKMPSA-N 1 3 372.429 0.112 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001727529434 1288515321 /nfs/dbraw/zinc/51/53/21/1288515321.db2.gz LERDRXHLTLUGDN-MPGHIAIKSA-N 1 3 350.511 0.826 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001727529434 1288515325 /nfs/dbraw/zinc/51/53/25/1288515325.db2.gz LERDRXHLTLUGDN-MPGHIAIKSA-N 1 3 350.511 0.826 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001727529437 1288515522 /nfs/dbraw/zinc/51/55/22/1288515522.db2.gz LERDRXHLTLUGDN-RLFYNMQTSA-N 1 3 350.511 0.826 20 0 FCADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001727529437 1288515527 /nfs/dbraw/zinc/51/55/27/1288515527.db2.gz LERDRXHLTLUGDN-RLFYNMQTSA-N 1 3 350.511 0.826 20 0 FCADHO O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001607096082 1288659390 /nfs/dbraw/zinc/65/93/90/1288659390.db2.gz AANRYCPENLNRHE-SJORKVTESA-N 1 3 372.473 0.928 20 0 FCADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104867 1288663799 /nfs/dbraw/zinc/66/37/99/1288663799.db2.gz RYGANCDULCIZQH-IAGOWNOFSA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001607104867 1288663803 /nfs/dbraw/zinc/66/38/03/1288663803.db2.gz RYGANCDULCIZQH-IAGOWNOFSA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104867 1288663806 /nfs/dbraw/zinc/66/38/06/1288663806.db2.gz RYGANCDULCIZQH-IAGOWNOFSA-N 1 3 360.462 0.727 20 0 FCADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001607104867 1288663809 /nfs/dbraw/zinc/66/38/09/1288663809.db2.gz RYGANCDULCIZQH-IAGOWNOFSA-N 1 3 360.462 0.727 20 0 FCADHO CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609227816 1288999089 /nfs/dbraw/zinc/99/90/89/1288999089.db2.gz OPCBBQZUGXUEPZ-MRXNPFEDSA-N 1 3 360.462 0.928 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1CCn1cncn1 ZINC001692017951 1289365716 /nfs/dbraw/zinc/36/57/16/1289365716.db2.gz DYSBAPCCGZIJRX-DLBZAZTESA-N 1 3 364.494 0.358 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001692042454 1289375526 /nfs/dbraw/zinc/37/55/26/1289375526.db2.gz VDBKLLGJCYSDGK-BZUAXINKSA-N 1 3 368.522 0.306 20 0 FCADHO CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080521 1289386008 /nfs/dbraw/zinc/38/60/08/1289386008.db2.gz GFOWTSOWCGEMPZ-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@@H]3C2)C1=O ZINC001692080521 1289386016 /nfs/dbraw/zinc/38/60/16/1289386016.db2.gz GFOWTSOWCGEMPZ-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001692092503 1289397972 /nfs/dbraw/zinc/39/79/72/1289397972.db2.gz SAYXBDWOBGWBTO-CABCVRRESA-N 1 3 369.510 0.391 20 0 FCADHO CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001692092503 1289397986 /nfs/dbraw/zinc/39/79/86/1289397986.db2.gz SAYXBDWOBGWBTO-CABCVRRESA-N 1 3 369.510 0.391 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1O ZINC001739663079 1290327041 /nfs/dbraw/zinc/32/70/41/1290327041.db2.gz CUNKEPQUKFHJGN-IKGGRYGDSA-N 1 3 368.522 0.137 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1O ZINC001739663079 1290327051 /nfs/dbraw/zinc/32/70/51/1290327051.db2.gz CUNKEPQUKFHJGN-IKGGRYGDSA-N 1 3 368.522 0.137 20 0 FCADHO CC[NH+]1CCC(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001652176716 1291266645 /nfs/dbraw/zinc/26/66/45/1291266645.db2.gz IFWUQGVWAPAAAD-QGZVFWFLSA-N 1 3 359.536 0.845 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001655517216 1291470440 /nfs/dbraw/zinc/47/04/40/1291470440.db2.gz JQFKJIJXGVTBEE-UHFFFAOYSA-N 1 3 362.474 0.583 20 0 FCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N2CCOCC2)C1 ZINC001689098403 1294615169 /nfs/dbraw/zinc/61/51/69/1294615169.db2.gz LOTHKHIMVXLLKR-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001689106537 1294620082 /nfs/dbraw/zinc/62/00/82/1294620082.db2.gz KFOSXPQDENMXQK-RDBSUJKOSA-N 1 3 355.483 0.128 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001689106537 1294620092 /nfs/dbraw/zinc/62/00/92/1294620092.db2.gz KFOSXPQDENMXQK-RDBSUJKOSA-N 1 3 355.483 0.128 20 0 FCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739093 720633041 /nfs/dbraw/zinc/63/30/41/720633041.db2.gz DYHDSTZJTBWROL-JKSUJKDBSA-N 1 3 352.442 0.859 20 0 FCADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866886 721060388 /nfs/dbraw/zinc/06/03/88/721060388.db2.gz GPJLXDKTLNTTKN-MSOLQXFVSA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4CCNC5)CC[N@@H+]3C2)c1 ZINC001164867991 721064956 /nfs/dbraw/zinc/06/49/56/721064956.db2.gz LVFWTQQJFGJZOC-DLBZAZTESA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4CCNC5)CC[N@H+]3C2)c1 ZINC001164867991 721064962 /nfs/dbraw/zinc/06/49/62/721064962.db2.gz LVFWTQQJFGJZOC-DLBZAZTESA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@H]2C[C@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866620 721112273 /nfs/dbraw/zinc/11/22/73/721112273.db2.gz UGOSRUDTKNCJEV-ROUUACIJSA-N 1 3 366.469 0.997 20 0 FCADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C[NH3+])ncn4)C3)O2)CC1 ZINC001164883619 721400657 /nfs/dbraw/zinc/40/06/57/721400657.db2.gz BGAJPIIEHGNGMQ-PKOBYXMFSA-N 1 3 360.506 0.701 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284872 844134590 /nfs/dbraw/zinc/13/45/90/844134590.db2.gz CUPMMMWSOYCTKK-CLCXKQKWSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001101284872 844134596 /nfs/dbraw/zinc/13/45/96/844134596.db2.gz CUPMMMWSOYCTKK-CLCXKQKWSA-N 1 3 350.507 0.728 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285289 844134769 /nfs/dbraw/zinc/13/47/69/844134769.db2.gz WWCSXOOYXXMRGN-CLCXKQKWSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001101285289 844134776 /nfs/dbraw/zinc/13/47/76/844134776.db2.gz WWCSXOOYXXMRGN-CLCXKQKWSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101345022 844153166 /nfs/dbraw/zinc/15/31/66/844153166.db2.gz PQOGCOAYRFFHEU-APWZRJJASA-N 1 3 350.507 0.635 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368819 844163178 /nfs/dbraw/zinc/16/31/78/844163178.db2.gz PEGPFBDDMOCMGR-CLCXKQKWSA-N 1 3 350.507 0.633 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368819 844163184 /nfs/dbraw/zinc/16/31/84/844163184.db2.gz PEGPFBDDMOCMGR-CLCXKQKWSA-N 1 3 350.507 0.633 20 0 FCADHO CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478594 844203376 /nfs/dbraw/zinc/20/33/76/844203376.db2.gz WACFVHOZCAOYAP-MDZRGWNJSA-N 1 3 350.507 0.728 20 0 FCADHO CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478594 844203385 /nfs/dbraw/zinc/20/33/85/844203385.db2.gz WACFVHOZCAOYAP-MDZRGWNJSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051902 844397639 /nfs/dbraw/zinc/39/76/39/844397639.db2.gz SDDWHSVZEPIZMP-QLFBSQMISA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051902 844397645 /nfs/dbraw/zinc/39/76/45/844397645.db2.gz SDDWHSVZEPIZMP-QLFBSQMISA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001102071188 844404717 /nfs/dbraw/zinc/40/47/17/844404717.db2.gz HAGRWAPXLLJEPO-OIISXLGYSA-N 1 3 352.523 0.783 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001102071188 844404719 /nfs/dbraw/zinc/40/47/19/844404719.db2.gz HAGRWAPXLLJEPO-OIISXLGYSA-N 1 3 352.523 0.783 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006152 839287896 /nfs/dbraw/zinc/28/78/96/839287896.db2.gz UJBIGFYYBCINGF-KZNAEPCWSA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006152 839287906 /nfs/dbraw/zinc/28/79/06/839287906.db2.gz UJBIGFYYBCINGF-KZNAEPCWSA-N 1 3 353.507 0.696 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119338 844422947 /nfs/dbraw/zinc/42/29/47/844422947.db2.gz HFADYIXVRNRLJB-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320574 844466713 /nfs/dbraw/zinc/46/67/13/844466713.db2.gz IWXWXDSIJVIOMK-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102368327 844477733 /nfs/dbraw/zinc/47/77/33/844477733.db2.gz PPYMJZKGBHKLNF-BZUAXINKSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102368327 844477740 /nfs/dbraw/zinc/47/77/40/844477740.db2.gz PPYMJZKGBHKLNF-BZUAXINKSA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375357 844479491 /nfs/dbraw/zinc/47/94/91/844479491.db2.gz DQZABNSRYCXBCK-OAGGEKHMSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102375357 844479496 /nfs/dbraw/zinc/47/94/96/844479496.db2.gz DQZABNSRYCXBCK-OAGGEKHMSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486574 844522142 /nfs/dbraw/zinc/52/21/42/844522142.db2.gz LVCAHDTWAVDOEH-FMKPAKJESA-N 1 3 354.495 0.045 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082507413 840441453 /nfs/dbraw/zinc/44/14/53/840441453.db2.gz PQZQZYJWKAAQCM-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082507413 840441461 /nfs/dbraw/zinc/44/14/61/840441461.db2.gz PQZQZYJWKAAQCM-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513583 844545041 /nfs/dbraw/zinc/54/50/41/844545041.db2.gz RONHCKAGOMCDNY-HUUCEWRRSA-N 1 3 371.913 0.799 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082719439 840535473 /nfs/dbraw/zinc/53/54/73/840535473.db2.gz JXANITWZYVVDGP-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082720215 840536810 /nfs/dbraw/zinc/53/68/10/840536810.db2.gz LVBLPVBPVWGJII-HYVNUMGLSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082822023 840574326 /nfs/dbraw/zinc/57/43/26/840574326.db2.gz DWWNFGBGHZONSS-IXDOHACOSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@H]3CCN(C)C3=O)C2)CC1 ZINC001082835586 840579810 /nfs/dbraw/zinc/57/98/10/840579810.db2.gz JLQRNMRXEVGGBZ-HYVNUMGLSA-N 1 3 350.507 0.774 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196777 /nfs/dbraw/zinc/19/67/77/861196777.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 1 3 352.523 0.319 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196792 /nfs/dbraw/zinc/19/67/92/861196792.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 1 3 352.523 0.319 20 0 FCADHO C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196802 /nfs/dbraw/zinc/19/68/02/861196802.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 1 3 352.523 0.319 20 0 FCADHO O=C(N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958831 841603786 /nfs/dbraw/zinc/60/37/86/841603786.db2.gz YCXQQIFDSBNKBF-ZACQAIPSSA-N 1 3 351.491 0.185 20 0 FCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086712200 842158369 /nfs/dbraw/zinc/15/83/69/842158369.db2.gz VHJJVDMMKPNFMC-BBWFWOEESA-N 1 3 350.507 0.968 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087083751 842275786 /nfs/dbraw/zinc/27/57/86/842275786.db2.gz QUWLORZOYWCATG-SQWLQELKSA-N 1 3 367.519 0.833 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093093621 843387580 /nfs/dbraw/zinc/38/75/80/843387580.db2.gz MRYIAJNSUCEIAM-OIISXLGYSA-N 1 3 350.507 0.679 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093093620 843387789 /nfs/dbraw/zinc/38/77/89/843387789.db2.gz MRYIAJNSUCEIAM-DJIMGWMZSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195394 843403986 /nfs/dbraw/zinc/40/39/86/843403986.db2.gz PWRIWYQNVAMQIJ-HYVNUMGLSA-N 1 3 371.547 0.447 20 0 FCADHO C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195394 843403991 /nfs/dbraw/zinc/40/39/91/843403991.db2.gz PWRIWYQNVAMQIJ-HYVNUMGLSA-N 1 3 371.547 0.447 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093281726 843420878 /nfs/dbraw/zinc/42/08/78/843420878.db2.gz UHIMOASVMVUJTL-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093770485 843467222 /nfs/dbraw/zinc/46/72/22/843467222.db2.gz SEOICAKWPQAKMF-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1=O ZINC001093825992 843475774 /nfs/dbraw/zinc/47/57/74/843475774.db2.gz VZXJSOXDJCDOLT-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N(C)C)CC3)CC[N@@H+]1C ZINC001094420389 843551084 /nfs/dbraw/zinc/55/10/84/843551084.db2.gz ZSBQOIUSPPABJQ-YKTARERQSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N(C)C)CC3)CC[N@H+]1C ZINC001094420389 843551090 /nfs/dbraw/zinc/55/10/90/843551090.db2.gz ZSBQOIUSPPABJQ-YKTARERQSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503531 843557571 /nfs/dbraw/zinc/55/75/71/843557571.db2.gz IYTYMGDXFKPHQM-VQIMIIECSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001097216144 843854256 /nfs/dbraw/zinc/85/42/56/843854256.db2.gz SBPFGLTVEPBBMY-ZJPYXAASSA-N 1 3 351.491 0.734 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001097216144 843854264 /nfs/dbraw/zinc/85/42/64/843854264.db2.gz SBPFGLTVEPBBMY-ZJPYXAASSA-N 1 3 351.491 0.734 20 0 FCADHO CN1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099223020 843978913 /nfs/dbraw/zinc/97/89/13/843978913.db2.gz BYFCFTRZVSCIFP-UPJWGTAASA-N 1 3 360.384 0.351 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001103085318 844697672 /nfs/dbraw/zinc/69/76/72/844697672.db2.gz PSFXGKKYWDXCAR-BFYDXBDKSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001103085318 844697675 /nfs/dbraw/zinc/69/76/75/844697675.db2.gz PSFXGKKYWDXCAR-BFYDXBDKSA-N 1 3 350.507 0.953 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C)N(C)C ZINC001103139969 844707169 /nfs/dbraw/zinc/70/71/69/844707169.db2.gz GSVONLMNAOICLR-DJIMGWMZSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C)N(C)C ZINC001103139969 844707171 /nfs/dbraw/zinc/70/71/71/844707171.db2.gz GSVONLMNAOICLR-DJIMGWMZSA-N 1 3 352.523 0.927 20 0 FCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268052 844728760 /nfs/dbraw/zinc/72/87/60/844728760.db2.gz OYCMXRUEGLASOU-QGPMSJSTSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374613 844744952 /nfs/dbraw/zinc/74/49/52/844744952.db2.gz LDHLSMZEFVPZEA-HUUCEWRRSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103433981 844756688 /nfs/dbraw/zinc/75/66/88/844756688.db2.gz QFLFVKYXZVTPPT-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103433981 844756695 /nfs/dbraw/zinc/75/66/95/844756695.db2.gz QFLFVKYXZVTPPT-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436116 844757887 /nfs/dbraw/zinc/75/78/87/844757887.db2.gz LFOMPKCRCWNMRM-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001103436116 844757895 /nfs/dbraw/zinc/75/78/95/844757895.db2.gz LFOMPKCRCWNMRM-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438707 844758934 /nfs/dbraw/zinc/75/89/34/844758934.db2.gz XVICOPIZIZJQCL-IAGOWNOFSA-N 1 3 355.523 0.801 20 0 FCADHO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438707 844758941 /nfs/dbraw/zinc/75/89/41/844758941.db2.gz XVICOPIZIZJQCL-IAGOWNOFSA-N 1 3 355.523 0.801 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103550169 844778240 /nfs/dbraw/zinc/77/82/40/844778240.db2.gz CFAUTHHQIFNYEG-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103550169 844778246 /nfs/dbraw/zinc/77/82/46/844778246.db2.gz CFAUTHHQIFNYEG-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCC(=O)Nc1nncs1 ZINC001104622119 844926955 /nfs/dbraw/zinc/92/69/55/844926955.db2.gz QXIYPZRDJSXJFN-CHWSQXEVSA-N 1 3 368.507 0.503 20 0 FCADHO CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104678724 844932915 /nfs/dbraw/zinc/93/29/15/844932915.db2.gz ASPVHLLNLLOQRS-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104680012 844932953 /nfs/dbraw/zinc/93/29/53/844932953.db2.gz OAVPIXKSVWRDAX-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001105642923 845007374 /nfs/dbraw/zinc/00/73/74/845007374.db2.gz OUOACZCGARFBQY-JEWRLFTDSA-N 1 3 355.523 0.675 20 0 FCADHO COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105675498 845016874 /nfs/dbraw/zinc/01/68/74/845016874.db2.gz PSSAYDLYDNYXRB-RWQQGDIJSA-N 1 3 355.523 0.939 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106249590 845143284 /nfs/dbraw/zinc/14/32/84/845143284.db2.gz LLSZXKNSINCWBN-KYJSFNMBSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1)N(C)C ZINC001106308819 845152195 /nfs/dbraw/zinc/15/21/95/845152195.db2.gz BTMWTHQSHUCLEK-JHJVBQTASA-N 1 3 366.428 0.689 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106665811 845218385 /nfs/dbraw/zinc/21/83/85/845218385.db2.gz CDJVWNSGWKHNBV-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCN3CCCC3=O)[C@H](C)C2)C1 ZINC001106665827 845219063 /nfs/dbraw/zinc/21/90/63/845219063.db2.gz DCQKZDXAPCGHSO-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1)N(C)C ZINC001106673776 845223245 /nfs/dbraw/zinc/22/32/45/845223245.db2.gz KPAULBYYPYRYTJ-OAGGEKHMSA-N 1 3 356.511 0.163 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001106705217 845229084 /nfs/dbraw/zinc/22/90/84/845229084.db2.gz XCESDKXQSXZCKO-RBSFLKMASA-N 1 3 368.503 0.461 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001106705172 845229390 /nfs/dbraw/zinc/22/93/90/845229390.db2.gz UYRSASGTPWLUJE-INMHGKMJSA-N 1 3 350.463 0.832 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444730 845375635 /nfs/dbraw/zinc/37/56/35/845375635.db2.gz YKXCXSZFINIYRC-VXIBKDFQSA-N 1 3 355.523 0.941 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444730 845375642 /nfs/dbraw/zinc/37/56/42/845375642.db2.gz YKXCXSZFINIYRC-VXIBKDFQSA-N 1 3 355.523 0.941 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188657 845816592 /nfs/dbraw/zinc/81/65/92/845816592.db2.gz KXUQBJKOZRLHNN-BDXSIMOUSA-N 1 3 353.507 0.981 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCCC1=O)C2 ZINC001111854300 846231307 /nfs/dbraw/zinc/23/13/07/846231307.db2.gz NGKIBRPSWFPYOW-LPHOPBHVSA-N 1 3 350.507 0.921 20 0 FCADHO CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852280 861654483 /nfs/dbraw/zinc/65/44/83/861654483.db2.gz PJGWFQKCBQANOL-PKOBYXMFSA-N 1 3 352.523 0.726 20 0 FCADHO CC[C@H](C)[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276852280 861654487 /nfs/dbraw/zinc/65/44/87/861654487.db2.gz PJGWFQKCBQANOL-PKOBYXMFSA-N 1 3 352.523 0.726 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113185 846392270 /nfs/dbraw/zinc/39/22/70/846392270.db2.gz IGAVLUCKZPNBFL-YNEHKIRRSA-N 1 3 367.412 0.457 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)CC1 ZINC001112184889 846445122 /nfs/dbraw/zinc/44/51/22/846445122.db2.gz JVBUVQDJXFOYFM-ZIAGYGMSSA-N 1 3 367.412 0.459 20 0 FCADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001112354501 846496363 /nfs/dbraw/zinc/49/63/63/846496363.db2.gz MDCNWNVWURNCCN-KXBFYZLASA-N 1 3 350.507 0.955 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCOCCO)C2)C1 ZINC001112529837 846516178 /nfs/dbraw/zinc/51/61/78/846516178.db2.gz RFEGUYYSIVMBLK-LNLFQRSKSA-N 1 3 353.507 0.555 20 0 FCADHO CCOC1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001117857907 847187077 /nfs/dbraw/zinc/18/70/77/847187077.db2.gz CFENRZCQCRERGB-UHFFFAOYSA-N 1 3 356.511 0.356 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001117978572 847238786 /nfs/dbraw/zinc/23/87/86/847238786.db2.gz LRPKJKYTYCZRMJ-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001119352874 847820171 /nfs/dbraw/zinc/82/01/71/847820171.db2.gz FYIQYJQWXGFZFS-CABCVRRESA-N 1 3 368.547 0.802 20 0 FCADHO C[NH+](C)CCNC(=O)c1cccc(CNC2CCS(=O)(=O)CC2)c1 ZINC001119438478 847844643 /nfs/dbraw/zinc/84/46/43/847844643.db2.gz JPNHVTMBDQTSDO-UHFFFAOYSA-N 1 3 353.488 0.645 20 0 FCADHO NC1(CNC(=O)C(=O)NC/C=C\Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001120433467 848199189 /nfs/dbraw/zinc/19/91/89/848199189.db2.gz OCYNLWDGIGXSMF-WTKPLQERSA-N 1 3 364.877 0.965 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1=O ZINC001122362144 848498751 /nfs/dbraw/zinc/49/87/51/848498751.db2.gz OHJKHEDUSMVQCH-HOTGVXAUSA-N 1 3 350.507 0.907 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)Cc2ccco2)CC[N@@H+]1C ZINC001127707228 848734301 /nfs/dbraw/zinc/73/43/01/848734301.db2.gz WIUARNFNCDHCFS-JKSUJKDBSA-N 1 3 350.463 0.674 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)Cc2ccco2)CC[N@H+]1C ZINC001127707228 848734303 /nfs/dbraw/zinc/73/43/03/848734303.db2.gz WIUARNFNCDHCFS-JKSUJKDBSA-N 1 3 350.463 0.674 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCc2cccs2)C[C@@H]1n1ccnn1 ZINC001129219897 848819619 /nfs/dbraw/zinc/81/96/19/848819619.db2.gz MTTHYEPSASHPTP-CVEARBPZSA-N 1 3 362.503 0.876 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001129919175 848916227 /nfs/dbraw/zinc/91/62/27/848916227.db2.gz PLPIUUZOQNSBTM-ZNMIVQPWSA-N 1 3 352.483 0.385 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130238047 848985329 /nfs/dbraw/zinc/98/53/29/848985329.db2.gz QMEVFAVPKBJPFP-RDBSUJKOSA-N 1 3 350.467 0.245 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130238047 848985335 /nfs/dbraw/zinc/98/53/35/848985335.db2.gz QMEVFAVPKBJPFP-RDBSUJKOSA-N 1 3 350.467 0.245 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001131020081 849071626 /nfs/dbraw/zinc/07/16/26/849071626.db2.gz KLDRECZBZZMWBQ-RBSFLKMASA-N 1 3 351.495 0.415 20 0 FCADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001142791717 849461592 /nfs/dbraw/zinc/46/15/92/849461592.db2.gz MGIDHFDOIIBTME-SFUXALCOSA-N 1 3 367.437 0.547 20 0 FCADHO CC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001277712567 862025154 /nfs/dbraw/zinc/02/51/54/862025154.db2.gz JUCLRNRADIYHMY-MJGOQNOKSA-N 1 3 352.523 0.319 20 0 FCADHO CC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001277712567 862025171 /nfs/dbraw/zinc/02/51/71/862025171.db2.gz JUCLRNRADIYHMY-MJGOQNOKSA-N 1 3 352.523 0.319 20 0 FCADHO CCN(CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153484654 849748217 /nfs/dbraw/zinc/74/82/17/849748217.db2.gz DUZAMCOFOCBFAO-BZUAXINKSA-N 1 3 355.527 0.861 20 0 FCADHO CCN(CCNC(=O)NC(C)C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153484654 849748225 /nfs/dbraw/zinc/74/82/25/849748225.db2.gz DUZAMCOFOCBFAO-BZUAXINKSA-N 1 3 355.527 0.861 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2(C1)CC(F)(F)C2 ZINC001157522526 849977496 /nfs/dbraw/zinc/97/74/96/849977496.db2.gz UZGGDNREAPRZCF-STQMWFEESA-N 1 3 358.433 0.691 20 0 FCADHO O=C(c1csc([C@H]2CCCN2)n1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120258 850019915 /nfs/dbraw/zinc/01/99/15/850019915.db2.gz MPKKZJYCZSTRCR-PIGZYNQJSA-N 1 3 361.471 0.119 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN(C)C(C)C)C2 ZINC001158384923 850044440 /nfs/dbraw/zinc/04/44/40/850044440.db2.gz TYJDCHVJKVSJCC-LSDHHAIUSA-N 1 3 365.396 0.870 20 0 FCADHO C[C@H](NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428529 850048672 /nfs/dbraw/zinc/04/86/72/850048672.db2.gz HZUUUAIPGWTULA-YNEHKIRRSA-N 1 3 353.492 0.906 20 0 FCADHO C[C@H](NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Nc1nccs1 ZINC001158428529 850048678 /nfs/dbraw/zinc/04/86/78/850048678.db2.gz HZUUUAIPGWTULA-YNEHKIRRSA-N 1 3 353.492 0.906 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001158496540 850056403 /nfs/dbraw/zinc/05/64/03/850056403.db2.gz RNQDGUYRTKWESK-OFTGVCEQSA-N 1 3 363.380 0.669 20 0 FCADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001158791715 850076375 /nfs/dbraw/zinc/07/63/75/850076375.db2.gz ZOHPHPSECSVWIA-KBPBESRZSA-N 1 3 352.483 0.429 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159404930 850112133 /nfs/dbraw/zinc/11/21/33/850112133.db2.gz ZKZATBMYXYPXSF-MRRJBJDNSA-N 1 3 352.410 0.141 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159906210 850144293 /nfs/dbraw/zinc/14/42/93/850144293.db2.gz ZMXKNUPKKBXKFA-ORIJERBGSA-N 1 3 368.503 0.732 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159906212 850144342 /nfs/dbraw/zinc/14/43/42/850144342.db2.gz ZMXKNUPKKBXKFA-TTZDDIAXSA-N 1 3 368.503 0.732 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001160076269 850151975 /nfs/dbraw/zinc/15/19/75/850151975.db2.gz JCLDRMUGCKSCBJ-CBBWQLFWSA-N 1 3 352.410 0.424 20 0 FCADHO CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160148581 850155407 /nfs/dbraw/zinc/15/54/07/850155407.db2.gz WVHWOLFDPFTTPT-LBPRGKRZSA-N 1 3 367.519 0.522 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201269 850158701 /nfs/dbraw/zinc/15/87/01/850158701.db2.gz FLGMUSMVZHJNBO-CVEARBPZSA-N 1 3 350.507 0.988 20 0 FCADHO CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@H](N)CCC[NH3+])n1 ZINC001160325419 850166220 /nfs/dbraw/zinc/16/62/20/850166220.db2.gz JPYPTENMDVRAFA-KGLIPLIRSA-N 1 3 350.467 0.289 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC([NH3+])CC1 ZINC001160515778 850178103 /nfs/dbraw/zinc/17/81/03/850178103.db2.gz UHLVRYALMIVBMF-STQMWFEESA-N 1 3 362.565 0.254 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001160548448 850180865 /nfs/dbraw/zinc/18/08/65/850180865.db2.gz GBHJSCZNQXIBPQ-SNVBAGLBSA-N 1 3 359.352 0.603 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160912673 850213617 /nfs/dbraw/zinc/21/36/17/850213617.db2.gz MTHYWVASTNKFKX-LBPRGKRZSA-N 1 3 351.838 0.309 20 0 FCADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)Cc1ccc(OCC)cc1 ZINC001161152935 850234816 /nfs/dbraw/zinc/23/48/16/850234816.db2.gz BSEXKQQSIIUYIQ-INIZCTEOSA-N 1 3 351.447 0.696 20 0 FCADHO NC(C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)C(F)(F)F ZINC001161198119 850239172 /nfs/dbraw/zinc/23/91/72/850239172.db2.gz LQZRRKSVLJRGNO-AWEZNQCLSA-N 1 3 366.428 0.427 20 0 FCADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206154 850240043 /nfs/dbraw/zinc/24/00/43/850240043.db2.gz XQGGFCWQYQBZSR-HNNXBMFYSA-N 1 3 355.504 0.001 20 0 FCADHO COc1ccc(O[C@@H]2CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2)nc1 ZINC001161368032 850254959 /nfs/dbraw/zinc/25/49/59/850254959.db2.gz BQIAEYAIMZGMPK-KGLIPLIRSA-N 1 3 354.476 0.479 20 0 FCADHO N[C@H](C(=O)N1CC[C@@H](n2cc(Br)cn2)C1)C1CC[NH2+]CC1 ZINC001161520487 850265851 /nfs/dbraw/zinc/26/58/51/850265851.db2.gz OXPWLWNQGGIPJE-OLZOCXBDSA-N 1 3 356.268 0.746 20 0 FCADHO CS(=O)(=O)N1CCN(c2cccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)n2)CC1 ZINC001163261801 850362260 /nfs/dbraw/zinc/36/22/60/850362260.db2.gz OGAATJCZHJDBFE-ILXRZTDVSA-N 1 3 365.503 0.573 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001178731591 850921588 /nfs/dbraw/zinc/92/15/88/850921588.db2.gz YRPPGRUOZFAJRB-WTTBNOFXSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCCC3)[C@@H]2C)CC[N@H+]1C ZINC001178731591 850921598 /nfs/dbraw/zinc/92/15/98/850921598.db2.gz YRPPGRUOZFAJRB-WTTBNOFXSA-N 1 3 350.507 0.964 20 0 FCADHO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC(C)(N(C)C)C3)CC2)CC1 ZINC001179013124 850945286 /nfs/dbraw/zinc/94/52/86/850945286.db2.gz ZFKMOOHNKTYKHX-UHFFFAOYSA-N 1 3 350.507 0.872 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC001181976585 851143140 /nfs/dbraw/zinc/14/31/40/851143140.db2.gz XLQQCPRQSFLGHH-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001181976585 851143148 /nfs/dbraw/zinc/14/31/48/851143148.db2.gz XLQQCPRQSFLGHH-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001189312919 851777639 /nfs/dbraw/zinc/77/76/39/851777639.db2.gz YVXSDOUIWUCYGE-OKZBNKHCSA-N 1 3 353.507 0.793 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001189612247 851808675 /nfs/dbraw/zinc/80/86/75/851808675.db2.gz LVDZMYFMQGJSAT-ZWKOTPCHSA-N 1 3 353.507 0.648 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913482 851841823 /nfs/dbraw/zinc/84/18/23/851841823.db2.gz RZGYGHIMKQWSME-RRFJBIMHSA-N 1 3 350.463 0.056 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189913482 851841830 /nfs/dbraw/zinc/84/18/30/851841830.db2.gz RZGYGHIMKQWSME-RRFJBIMHSA-N 1 3 350.463 0.056 20 0 FCADHO C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289673 852573116 /nfs/dbraw/zinc/57/31/16/852573116.db2.gz LBNNTDMNKHXBMP-USXIJHARSA-N 1 3 350.463 0.230 20 0 FCADHO CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CC1 ZINC001196637352 852990854 /nfs/dbraw/zinc/99/08/54/852990854.db2.gz KNAUBAGCRFJYOG-KZNAEPCWSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)N1CCCC1 ZINC001199127522 853374896 /nfs/dbraw/zinc/37/48/96/853374896.db2.gz GBLPIMHBVRQKKM-KZNAEPCWSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)N1CCCC1 ZINC001199127522 853374906 /nfs/dbraw/zinc/37/49/06/853374906.db2.gz GBLPIMHBVRQKKM-KZNAEPCWSA-N 1 3 353.507 0.695 20 0 FCADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538336 853502533 /nfs/dbraw/zinc/50/25/33/853502533.db2.gz YZDWVULWTQHOLE-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538336 853502538 /nfs/dbraw/zinc/50/25/38/853502538.db2.gz YZDWVULWTQHOLE-BZUAXINKSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784480 853856742 /nfs/dbraw/zinc/85/67/42/853856742.db2.gz MLEPDWSFWYGCRM-NVXWUHKLSA-N 1 3 350.463 0.353 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001208070102 853890857 /nfs/dbraw/zinc/89/08/57/853890857.db2.gz DCBYXJIXXHWYJP-FRRDWIJNSA-N 1 3 364.412 0.586 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001208070102 853890858 /nfs/dbraw/zinc/89/08/58/853890858.db2.gz DCBYXJIXXHWYJP-FRRDWIJNSA-N 1 3 364.412 0.586 20 0 FCADHO COCCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455490 854624479 /nfs/dbraw/zinc/62/44/79/854624479.db2.gz DNQUOFDZRZKNRB-BRWVUGGUSA-N 1 3 357.495 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214343932 854928501 /nfs/dbraw/zinc/92/85/01/854928501.db2.gz KACCWNZSGNGUOH-IJLUTSLNSA-N 1 3 350.385 0.196 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NCC(=O)NC1CC1 ZINC001214634691 854983493 /nfs/dbraw/zinc/98/34/93/854983493.db2.gz UFABEPCUNCHWNM-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C)C1CC1 ZINC001214664263 854989378 /nfs/dbraw/zinc/98/93/78/854989378.db2.gz TWWJQAWLCPFIRV-MUIFIZLQSA-N 1 3 350.507 0.774 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C)C1CC1 ZINC001214664263 854989379 /nfs/dbraw/zinc/98/93/79/854989379.db2.gz TWWJQAWLCPFIRV-MUIFIZLQSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C1CC1 ZINC001214847847 855022088 /nfs/dbraw/zinc/02/20/88/855022088.db2.gz VHEBWMWKAQPYKV-IIAWOOMASA-N 1 3 350.507 0.822 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845490 855022291 /nfs/dbraw/zinc/02/22/91/855022291.db2.gz WKKDROJAASEZON-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845490 855022299 /nfs/dbraw/zinc/02/22/99/855022299.db2.gz WKKDROJAASEZON-BRWVUGGUSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H](C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)CS(C)(=O)=O ZINC001214863852 855025503 /nfs/dbraw/zinc/02/55/03/855025503.db2.gz ZEXDRKNKWUJELX-IIAWOOMASA-N 1 3 359.536 0.588 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215217625 855082638 /nfs/dbraw/zinc/08/26/38/855082638.db2.gz PJQCACSFECVKCR-QGPMSJSTSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215397401 855109903 /nfs/dbraw/zinc/10/99/03/855109903.db2.gz YRXVYXLITRVGNJ-YQFWSFKMSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215397401 855109913 /nfs/dbraw/zinc/10/99/13/855109913.db2.gz YRXVYXLITRVGNJ-YQFWSFKMSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215423333 855112825 /nfs/dbraw/zinc/11/28/25/855112825.db2.gz HKFIISFOVQTBJF-JHJVBQTASA-N 1 3 366.428 0.832 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215459122 855117416 /nfs/dbraw/zinc/11/74/16/855117416.db2.gz YIQBIRZUVMNNMV-GRYCIOLGSA-N 1 3 352.401 0.442 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cccc(S(C)(=O)=O)c1 ZINC001215460593 855118086 /nfs/dbraw/zinc/11/80/86/855118086.db2.gz ACHDRQALBKOPNM-RHSMWYFYSA-N 1 3 367.515 0.978 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001215681419 855135406 /nfs/dbraw/zinc/13/54/06/855135406.db2.gz YHKJXXHMAJSXIA-RAIGVLPGSA-N 1 3 364.368 0.329 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001216053714 855167431 /nfs/dbraw/zinc/16/74/31/855167431.db2.gz VTLAKYUEOXMOCZ-NVXWUHKLSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCCCC1 ZINC001216400954 855199596 /nfs/dbraw/zinc/19/95/96/855199596.db2.gz FHZCAUSWFYETEI-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001216511727 855210072 /nfs/dbraw/zinc/21/00/72/855210072.db2.gz YCZHOIKDCYRXRD-UKRRQHHQSA-N 1 3 354.520 0.997 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCCCC1 ZINC001216754233 855232852 /nfs/dbraw/zinc/23/28/52/855232852.db2.gz LOAMFBAPTBRZKP-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCCCC1 ZINC001216754233 855232855 /nfs/dbraw/zinc/23/28/55/855232855.db2.gz LOAMFBAPTBRZKP-HLLBOEOZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216754458 855232999 /nfs/dbraw/zinc/23/29/99/855232999.db2.gz VPIMUOJGLYLLLQ-IJLUTSLNSA-N 1 3 350.385 0.053 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216754458 855233005 /nfs/dbraw/zinc/23/30/05/855233005.db2.gz VPIMUOJGLYLLLQ-IJLUTSLNSA-N 1 3 350.385 0.053 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001216772654 855238236 /nfs/dbraw/zinc/23/82/36/855238236.db2.gz IHVSFKUNJHMXIY-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216829486 855252133 /nfs/dbraw/zinc/25/21/33/855252133.db2.gz YLORHFWKAWVDTI-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216852054 855259787 /nfs/dbraw/zinc/25/97/87/855259787.db2.gz MZZQOALDMPIYTM-HUUCEWRRSA-N 1 3 359.536 0.588 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217976810 855388727 /nfs/dbraw/zinc/38/87/27/855388727.db2.gz LZVOBKLNNQICAD-ZJUUUORDSA-N 1 3 356.398 0.230 20 0 FCADHO Nc1cnc(Cl)c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218673837 855461678 /nfs/dbraw/zinc/46/16/78/855461678.db2.gz GMFDNXKKEZOUOC-UWVGGRQHSA-N 1 3 369.857 0.098 20 0 FCADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(C(N)=O)cc1OC ZINC001218969239 855504599 /nfs/dbraw/zinc/50/45/99/855504599.db2.gz YJKBDSZAMSYIDF-LBPRGKRZSA-N 1 3 352.435 0.800 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283484 855616027 /nfs/dbraw/zinc/61/60/27/855616027.db2.gz PBKKBYPAHRLJTM-QWRGUYRKSA-N 1 3 351.426 0.345 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796809 855817693 /nfs/dbraw/zinc/81/76/93/855817693.db2.gz RBRSMRULEDBOJV-KURKYZTESA-N 1 3 355.523 0.942 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796809 855817695 /nfs/dbraw/zinc/81/76/95/855817695.db2.gz RBRSMRULEDBOJV-KURKYZTESA-N 1 3 355.523 0.942 20 0 FCADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc([C@@H]2CCCN2)n1 ZINC001219837855 855839408 /nfs/dbraw/zinc/83/94/08/855839408.db2.gz MKSZXFVDJGHBNN-IGCXYCKISA-N 1 3 366.487 0.693 20 0 FCADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc2c1CCNC2 ZINC001219844738 855843368 /nfs/dbraw/zinc/84/33/68/855843368.db2.gz QKLONFNMJQDXRU-PXAZEXFGSA-N 1 3 351.472 0.519 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219847273 855844590 /nfs/dbraw/zinc/84/45/90/855844590.db2.gz BNBITXVXWHLTRK-MWDXBVQZSA-N 1 3 364.515 0.720 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161287 855988574 /nfs/dbraw/zinc/98/85/74/855988574.db2.gz BGSRFHGIVJEBRY-WZTLGTBRSA-N 1 3 352.479 0.336 20 0 FCADHO N=C(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(Br)cc1F ZINC001220511396 856161590 /nfs/dbraw/zinc/16/15/90/856161590.db2.gz WBDODKYNRAYPLK-JTQLQIEISA-N 1 3 355.211 0.839 20 0 FCADHO Cc1ccc(CSC[C@H](N)C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519203 856164107 /nfs/dbraw/zinc/16/41/07/856164107.db2.gz GGTNKUNMSLCNIZ-INIZCTEOSA-N 1 3 355.504 0.664 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519662 856164375 /nfs/dbraw/zinc/16/43/75/856164375.db2.gz WWVFOQLUFSKDKM-INIZCTEOSA-N 1 3 371.503 0.364 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538209 856173877 /nfs/dbraw/zinc/17/38/77/856173877.db2.gz GFURMUHPFYDNGK-GNFNDJEDSA-N 1 3 351.495 0.518 20 0 FCADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001220902794 856366122 /nfs/dbraw/zinc/36/61/22/856366122.db2.gz AGGWZNFDYGNZCK-INIZCTEOSA-N 1 3 365.499 0.313 20 0 FCADHO COc1ccnc(C2(CNC(=O)[C@@H](N)CSCC[NH3+])CCOCC2)c1 ZINC001220992852 856411747 /nfs/dbraw/zinc/41/17/47/856411747.db2.gz VQOBCRRGTSAEHU-AWEZNQCLSA-N 1 3 368.503 0.274 20 0 FCADHO COc1cccc(CNC(=O)CNC(=O)[C@@H](N)CCCC[NH+](C)C)c1 ZINC001221060762 856439288 /nfs/dbraw/zinc/43/92/88/856439288.db2.gz MWUCFKMYRDKFCV-INIZCTEOSA-N 1 3 350.463 0.487 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001221153846 856486664 /nfs/dbraw/zinc/48/66/64/856486664.db2.gz RNOSBERFFFNCTH-AWEZNQCLSA-N 1 3 365.503 0.624 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026879 856776258 /nfs/dbraw/zinc/77/62/58/856776258.db2.gz CMDRGVFMVASGAH-KZNAEPCWSA-N 1 3 353.507 0.793 20 0 FCADHO CN1CCN(c2ncc(CN3CCNC4(CC[NH2+]CC4)C3)s2)CC1 ZINC001222091070 856799090 /nfs/dbraw/zinc/79/90/90/856799090.db2.gz OGZUMFPYDQKRKG-UHFFFAOYSA-N 1 3 350.536 0.422 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222656777 856861476 /nfs/dbraw/zinc/86/14/76/856861476.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222656777 856861490 /nfs/dbraw/zinc/86/14/90/856861490.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222656777 856861501 /nfs/dbraw/zinc/86/15/01/856861501.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222656777 856861521 /nfs/dbraw/zinc/86/15/21/856861521.db2.gz UGZJZYOTNJWADM-KURKYZTESA-N 1 3 353.507 0.791 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001226767891 857124790 /nfs/dbraw/zinc/12/47/90/857124790.db2.gz YTVLYVYBOUJNQK-ZIAGYGMSSA-N 1 3 360.524 0.037 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001227057701 857139491 /nfs/dbraw/zinc/13/94/91/857139491.db2.gz ZDOSYJKVNUJFGJ-BZUAXINKSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC2CC2)C1 ZINC001228603128 857218456 /nfs/dbraw/zinc/21/84/56/857218456.db2.gz NQACFKFEQZUUJW-USXIJHARSA-N 1 3 350.507 0.871 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229214350 857258363 /nfs/dbraw/zinc/25/83/63/857258363.db2.gz PLBARLKWCQWXDM-GVDBMIGSSA-N 1 3 351.495 0.603 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001229877359 857291129 /nfs/dbraw/zinc/29/11/29/857291129.db2.gz RFEDPQNDPKIDAF-BFHYXJOUSA-N 1 3 355.483 0.189 20 0 FCADHO NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257383 857318825 /nfs/dbraw/zinc/31/88/25/857318825.db2.gz QJPKCYXAZHUYHE-ZIAGYGMSSA-N 1 3 353.467 0.074 20 0 FCADHO N[C@@H]1NC(CN(CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385761 857440900 /nfs/dbraw/zinc/44/09/00/857440900.db2.gz FZGFSKRVWRAMEY-QGZVFWFLSA-N 1 3 355.552 0.430 20 0 FCADHO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCC4(CCNCC4)[NH2+]3)cc2o1 ZINC001238243744 857466273 /nfs/dbraw/zinc/46/62/73/857466273.db2.gz VYNYPIORNXBNHE-NSHDSACASA-N 1 3 366.443 0.686 20 0 FCADHO NCCC[NH2+]CCCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC001238878732 857485859 /nfs/dbraw/zinc/48/58/59/857485859.db2.gz KUMSMZSYCQTOEF-UHFFFAOYSA-N 1 3 351.885 0.656 20 0 FCADHO CN(C)S(=O)(=O)N1CCC2(C1)CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001279501547 862918801 /nfs/dbraw/zinc/91/88/01/862918801.db2.gz IGSLRCAVFGVULQ-INIZCTEOSA-N 1 3 358.552 0.923 20 0 FCADHO CN(C)S(=O)(=O)N1CCC2(C1)CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001279501547 862918818 /nfs/dbraw/zinc/91/88/18/862918818.db2.gz IGSLRCAVFGVULQ-INIZCTEOSA-N 1 3 358.552 0.923 20 0 FCADHO CCOC(=O)[C@@H](CCSC)NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218223 857524353 /nfs/dbraw/zinc/52/43/53/857524353.db2.gz XEYYKVPVKBJHFX-UONOGXRCSA-N 1 3 372.535 0.845 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740857 857595333 /nfs/dbraw/zinc/59/53/33/857595333.db2.gz HXRJRSUQPCJFIY-CBBWQLFWSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740857 857595341 /nfs/dbraw/zinc/59/53/41/857595341.db2.gz HXRJRSUQPCJFIY-CBBWQLFWSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CN1 ZINC001246740857 857595349 /nfs/dbraw/zinc/59/53/49/857595349.db2.gz HXRJRSUQPCJFIY-CBBWQLFWSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CN1 ZINC001246740857 857595357 /nfs/dbraw/zinc/59/53/57/857595357.db2.gz HXRJRSUQPCJFIY-CBBWQLFWSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740858 857595876 /nfs/dbraw/zinc/59/58/76/857595876.db2.gz HXRJRSUQPCJFIY-QPSCCSFWSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740858 857595879 /nfs/dbraw/zinc/59/58/79/857595879.db2.gz HXRJRSUQPCJFIY-QPSCCSFWSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CN1 ZINC001246740858 857595889 /nfs/dbraw/zinc/59/58/89/857595889.db2.gz HXRJRSUQPCJFIY-QPSCCSFWSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CN1 ZINC001246740858 857595896 /nfs/dbraw/zinc/59/58/96/857595896.db2.gz HXRJRSUQPCJFIY-QPSCCSFWSA-N 1 3 350.488 0.943 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001253186630 857870399 /nfs/dbraw/zinc/87/03/99/857870399.db2.gz QNRGSHLQVSWIIJ-INIZCTEOSA-N 1 3 351.495 0.213 20 0 FCADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1CCN(C(=O)C2CCOCC2)CC1 ZINC001253410702 857887670 /nfs/dbraw/zinc/88/76/70/857887670.db2.gz QOHBPZYICBGMIK-KRWDZBQOSA-N 1 3 355.523 0.990 20 0 FCADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1CCN(C(=O)C2CCOCC2)CC1 ZINC001253410702 857887674 /nfs/dbraw/zinc/88/76/74/857887674.db2.gz QOHBPZYICBGMIK-KRWDZBQOSA-N 1 3 355.523 0.990 20 0 FCADHO COC(=O)[C@H](C[NH3+])CN[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803436 857986300 /nfs/dbraw/zinc/98/63/00/857986300.db2.gz BELBVWYUSVLBRZ-OLZOCXBDSA-N 1 3 357.451 0.492 20 0 FCADHO CC[NH+](CC)CCCN1CCN([C@@H](C)CC(=O)N2CCOCC2)CC1 ZINC001256344750 858071812 /nfs/dbraw/zinc/07/18/12/858071812.db2.gz PGPPJUUEHLULOV-SFHVURJKSA-N 1 3 354.539 0.973 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCC(C)CC1 ZINC001261522662 858578757 /nfs/dbraw/zinc/57/87/57/858578757.db2.gz AIXPVHBKFDSALE-GJYPPUQNSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001261727008 858649152 /nfs/dbraw/zinc/64/91/52/858649152.db2.gz JPMNXPNYZBDSDG-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001261727008 858649153 /nfs/dbraw/zinc/64/91/53/858649153.db2.gz JPMNXPNYZBDSDG-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270489662 859769737 /nfs/dbraw/zinc/76/97/37/859769737.db2.gz IDHCUFDNLBAODA-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270489662 859769738 /nfs/dbraw/zinc/76/97/38/859769738.db2.gz IDHCUFDNLBAODA-QFBILLFUSA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H](C(=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1)N1CCCC1 ZINC001270491930 859772689 /nfs/dbraw/zinc/77/26/89/859772689.db2.gz ZDJUXXVHVHTQHU-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001271657839 859987717 /nfs/dbraw/zinc/98/77/17/859987717.db2.gz DXRVQXGHVFGPNR-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657839 859987722 /nfs/dbraw/zinc/98/77/22/859987722.db2.gz DXRVQXGHVFGPNR-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001272821949 860272582 /nfs/dbraw/zinc/27/25/82/860272582.db2.gz UKKGVNULMRDFNF-BRWVUGGUSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001272821949 860272590 /nfs/dbraw/zinc/27/25/90/860272590.db2.gz UKKGVNULMRDFNF-BRWVUGGUSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1)N(C)C ZINC001273182383 860401603 /nfs/dbraw/zinc/40/16/03/860401603.db2.gz CAHIZCZJYMKTKV-JKSUJKDBSA-N 1 3 352.523 0.879 20 0 FCADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(O)CCN(C)CC1 ZINC001274202152 860706074 /nfs/dbraw/zinc/70/60/74/860706074.db2.gz AFXNHDCYNCWQIM-MQVJKMGUSA-N 1 3 355.479 0.175 20 0 FCADHO C[NH+]1CCC(CN2CC[C@@H]3C[C@@]32C(=O)N2CC(N3CC(F)C3)C2)CC1 ZINC001280125449 863276620 /nfs/dbraw/zinc/27/66/20/863276620.db2.gz JGJYCJBHQGNDRU-BEFAXECRSA-N 1 3 350.482 0.657 20 0 FCADHO C[NH+]1CCC(CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)CC1 ZINC001280126686 863278029 /nfs/dbraw/zinc/27/80/29/863278029.db2.gz ZHCJMVWXEHOMSD-MLHJIOFPSA-N 1 3 351.491 0.305 20 0 FCADHO C[NH+]1CCC(C)(CN2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001280211393 863340316 /nfs/dbraw/zinc/34/03/16/863340316.db2.gz SKHSANSGBQCFNM-RHSMWYFYSA-N 1 3 357.520 0.201 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257152 863364594 /nfs/dbraw/zinc/36/45/94/863364594.db2.gz GJWYJCLEYBDPTQ-DDBAPUKQSA-N 1 3 351.491 0.570 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257152 863364605 /nfs/dbraw/zinc/36/46/05/863364605.db2.gz GJWYJCLEYBDPTQ-DDBAPUKQSA-N 1 3 351.491 0.570 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC001351364969 866840631 /nfs/dbraw/zinc/84/06/31/866840631.db2.gz VWKSXJKYZWDMAT-GJZGRUSLSA-N 1 3 350.467 0.508 20 0 FCADHO C[C@H]1CC2(CN1C(=O)C(=O)NCCN1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001353188276 867372649 /nfs/dbraw/zinc/37/26/49/867372649.db2.gz NCMFUZULXRWLTL-HNNXBMFYSA-N 1 3 350.507 0.825 20 0 FCADHO Cc1ccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC001324883925 869703656 /nfs/dbraw/zinc/70/36/56/869703656.db2.gz YYTHMQRHQUXYPO-UHFFFAOYSA-N 1 3 354.520 0.967 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1 ZINC001327504183 870912711 /nfs/dbraw/zinc/91/27/11/870912711.db2.gz NZAUXNNYNAPXTN-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001346265015 871736854 /nfs/dbraw/zinc/73/68/54/871736854.db2.gz RTZNBFVSMILSBK-HOTGVXAUSA-N 1 3 353.511 0.761 20 0 FCADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001330006949 872415110 /nfs/dbraw/zinc/41/51/10/872415110.db2.gz CVRLSMILIIUXAI-BBWFWOEESA-N 1 3 353.532 0.871 20 0 FCADHO C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574917770 948828968 /nfs/dbraw/zinc/82/89/68/948828968.db2.gz AZQQSYOZMJJADJ-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574957396 949607362 /nfs/dbraw/zinc/60/73/62/949607362.db2.gz WZVMITSSOFWLRL-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574957396 949607373 /nfs/dbraw/zinc/60/73/73/949607373.db2.gz WZVMITSSOFWLRL-XJKCOSOUSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574957395 949610900 /nfs/dbraw/zinc/61/09/00/949610900.db2.gz WZVMITSSOFWLRL-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574957395 949610910 /nfs/dbraw/zinc/61/09/10/949610910.db2.gz WZVMITSSOFWLRL-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CC[NH+](C)C ZINC001575082222 951731779 /nfs/dbraw/zinc/73/17/79/951731779.db2.gz VXXILBFWBFMGBU-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CC[NH+](C)C ZINC001575082222 951731784 /nfs/dbraw/zinc/73/17/84/951731784.db2.gz VXXILBFWBFMGBU-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575109562 951932301 /nfs/dbraw/zinc/93/23/01/951932301.db2.gz SMSKOZRZGKHHIU-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575109562 951932306 /nfs/dbraw/zinc/93/23/06/951932306.db2.gz SMSKOZRZGKHHIU-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575109562 951932311 /nfs/dbraw/zinc/93/23/11/951932311.db2.gz SMSKOZRZGKHHIU-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575109562 951932318 /nfs/dbraw/zinc/93/23/18/951932318.db2.gz SMSKOZRZGKHHIU-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO CN(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000291900610 214064293 /nfs/dbraw/zinc/06/42/93/214064293.db2.gz PVOZGGKYHHECMI-DOTOQJQBSA-N 1 3 364.465 0.955 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961729 529797436 /nfs/dbraw/zinc/79/74/36/529797436.db2.gz IUSAIBMWFLCGDA-AHCXZYCDSA-N 1 3 360.502 0.624 20 0 FCADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C[C@@H]21 ZINC000410961729 529797437 /nfs/dbraw/zinc/79/74/37/529797437.db2.gz IUSAIBMWFLCGDA-AHCXZYCDSA-N 1 3 360.502 0.624 20 0 FCADHO CN1CCN(Cc2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2)CC1 ZINC000265401633 210122752 /nfs/dbraw/zinc/12/27/52/210122752.db2.gz POCFIJWPOHSTHK-UHFFFAOYSA-N 1 3 373.501 0.583 20 0 FCADHO CN1CCN(Cc2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)c2)CC1 ZINC000265401633 210122758 /nfs/dbraw/zinc/12/27/58/210122758.db2.gz POCFIJWPOHSTHK-UHFFFAOYSA-N 1 3 373.501 0.583 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562846 215015634 /nfs/dbraw/zinc/01/56/34/215015634.db2.gz SKKUKRAWWWLETD-DAYGRLMNSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562846 215015636 /nfs/dbraw/zinc/01/56/36/215015636.db2.gz SKKUKRAWWWLETD-DAYGRLMNSA-N 1 3 368.547 0.483 20 0 FCADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331649093 215029188 /nfs/dbraw/zinc/02/91/88/215029188.db2.gz QUSDALGFYDOMRC-CVEARBPZSA-N 1 3 351.495 0.454 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000331841839 215055682 /nfs/dbraw/zinc/05/56/82/215055682.db2.gz BQDTUPCKHIEJBZ-BRWVUGGUSA-N 1 3 366.506 0.033 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000332028190 215081367 /nfs/dbraw/zinc/08/13/67/215081367.db2.gz XYPQNPFIEACXLU-HLLBOEOZSA-N 1 3 366.506 0.202 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000332061498 215086319 /nfs/dbraw/zinc/08/63/19/215086319.db2.gz YDMHQXLSEDKQRR-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332061498 215086323 /nfs/dbraw/zinc/08/63/23/215086323.db2.gz YDMHQXLSEDKQRR-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCSC1 ZINC000333591625 215299637 /nfs/dbraw/zinc/29/96/37/215299637.db2.gz PDDBOMHHDRLAQS-SQWLQELKSA-N 1 3 352.508 0.294 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000366595516 216002111 /nfs/dbraw/zinc/00/21/11/216002111.db2.gz GUDILJHSFNLXSD-ILXRZTDVSA-N 1 3 353.429 0.884 20 0 FCADHO C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030318 216065522 /nfs/dbraw/zinc/06/55/22/216065522.db2.gz PYLPXXVQDJZHCM-HZPDHXFCSA-N 1 3 365.522 0.665 20 0 FCADHO NC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000245540385 209370550 /nfs/dbraw/zinc/37/05/50/209370550.db2.gz KEYSQRDLTMYUNZ-BPQIPLTHSA-N 1 3 358.486 0.836 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000245386696 209366010 /nfs/dbraw/zinc/36/60/10/209366010.db2.gz PWXLWDXAZJJQKD-ZIFCJYIRSA-N 1 3 355.523 0.501 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237607736 209355110 /nfs/dbraw/zinc/35/51/10/209355110.db2.gz LTBZINUUVOEIIM-GASCZTMLSA-N 1 3 364.494 0.822 20 0 FCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000187980400 209221827 /nfs/dbraw/zinc/22/18/27/209221827.db2.gz FCZQYYVMEXPROB-OTWHNJEPSA-N 1 3 360.502 0.858 20 0 FCADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000275550011 212049209 /nfs/dbraw/zinc/04/92/09/212049209.db2.gz SFATVHATWFDMSF-JKSUJKDBSA-N 1 3 364.465 0.976 20 0 FCADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000414851454 245325525 /nfs/dbraw/zinc/32/55/25/245325525.db2.gz JKJXJPSIRJHLLQ-RHSMWYFYSA-N 1 3 362.474 0.854 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954527 245337027 /nfs/dbraw/zinc/33/70/27/245337027.db2.gz LIYQITMXISPMEB-LRDDRELGSA-N 1 3 358.442 0.706 20 0 FCADHO O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415323130 245383802 /nfs/dbraw/zinc/38/38/02/245383802.db2.gz GFMAIJVDAZHVBE-UHFFFAOYSA-N 1 3 373.501 0.632 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000415329680 245386955 /nfs/dbraw/zinc/38/69/55/245386955.db2.gz JOPBZDYFZQFPJJ-OAHLLOKOSA-N 1 3 359.474 0.554 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179937 217106089 /nfs/dbraw/zinc/10/60/89/217106089.db2.gz XEFODQXLUBKVGV-HOTGVXAUSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419152114 246020089 /nfs/dbraw/zinc/02/00/89/246020089.db2.gz OAUYCWSDYGWUNZ-UHOFOFEASA-N 1 3 350.438 0.535 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000419151136 246020192 /nfs/dbraw/zinc/02/01/92/246020192.db2.gz NDHGZJIOIHGATA-CZUORRHYSA-N 1 3 364.515 0.930 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)N1CCC(C)CC1 ZINC000419162159 246025578 /nfs/dbraw/zinc/02/55/78/246025578.db2.gz TVENEXZTKCRWEX-INIZCTEOSA-N 1 3 368.522 0.579 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419146088 246015382 /nfs/dbraw/zinc/01/53/82/246015382.db2.gz HLRQEZNWVYUESP-BZUAXINKSA-N 1 3 354.495 0.188 20 0 FCADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000419171220 246033332 /nfs/dbraw/zinc/03/33/32/246033332.db2.gz OLMXOAFXIHBTDP-SFHVURJKSA-N 1 3 358.486 0.489 20 0 FCADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000419171220 246033336 /nfs/dbraw/zinc/03/33/36/246033336.db2.gz OLMXOAFXIHBTDP-SFHVURJKSA-N 1 3 358.486 0.489 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419176467 246035701 /nfs/dbraw/zinc/03/57/01/246035701.db2.gz ZFQLJXNJRGDOGC-HZPDHXFCSA-N 1 3 354.495 0.333 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000419196449 246045177 /nfs/dbraw/zinc/04/51/77/246045177.db2.gz BAUMBNBGODEFPL-GDBMZVCRSA-N 1 3 362.474 0.439 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000419202229 246051529 /nfs/dbraw/zinc/05/15/29/246051529.db2.gz GPQJIFZWJRUVGB-LJQANCHMSA-N 1 3 362.474 0.441 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310348 246095022 /nfs/dbraw/zinc/09/50/22/246095022.db2.gz QZBHVVNBNPSBKE-BBRMVZONSA-N 1 3 366.506 0.739 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419336336 246103796 /nfs/dbraw/zinc/10/37/96/246103796.db2.gz ACXZHKZLAUUSJO-SJORKVTESA-N 1 3 368.522 0.354 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000419362162 246117522 /nfs/dbraw/zinc/11/75/22/246117522.db2.gz BGCCWAZHHQDVEJ-WMLDXEAASA-N 1 3 358.486 0.398 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)Cc2ccccc2C1 ZINC000419364118 246118343 /nfs/dbraw/zinc/11/83/43/246118343.db2.gz DJPDMJWKANRYJZ-UHFFFAOYSA-N 1 3 358.486 0.399 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000419362158 246118430 /nfs/dbraw/zinc/11/84/30/246118430.db2.gz BGCCWAZHHQDVEJ-PBHICJAKSA-N 1 3 358.486 0.398 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373041 246122234 /nfs/dbraw/zinc/12/22/34/246122234.db2.gz MAJMHAMATVGDJE-QZTJIDSGSA-N 1 3 372.513 0.836 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000419373950 246122597 /nfs/dbraw/zinc/12/25/97/246122597.db2.gz OYUUUZNQEAEKPW-IXDOHACOSA-N 1 3 350.507 0.537 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000419416558 246149081 /nfs/dbraw/zinc/14/90/81/246149081.db2.gz WIJJIOXEHACVAX-IRXDYDNUSA-N 1 3 368.522 0.722 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000419416558 246149087 /nfs/dbraw/zinc/14/90/87/246149087.db2.gz WIJJIOXEHACVAX-IRXDYDNUSA-N 1 3 368.522 0.722 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403874 246138094 /nfs/dbraw/zinc/13/80/94/246138094.db2.gz SAOVTMXHIKTXKA-JQHSSLGASA-N 1 3 374.485 0.118 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403874 246138100 /nfs/dbraw/zinc/13/81/00/246138100.db2.gz SAOVTMXHIKTXKA-JQHSSLGASA-N 1 3 374.485 0.118 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000419411024 246144801 /nfs/dbraw/zinc/14/48/01/246144801.db2.gz PQCAMPIZQUBWGW-RYQLBKOJSA-N 1 3 358.486 0.788 20 0 FCADHO CN(CC[NH3+])C(=O)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000419428547 246159168 /nfs/dbraw/zinc/15/91/68/246159168.db2.gz TVUUECXGGDALNA-KRWDZBQOSA-N 1 3 360.502 0.993 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000419418563 246151651 /nfs/dbraw/zinc/15/16/51/246151651.db2.gz IHNLIBIEPQAVRR-LPHOPBHVSA-N 1 3 372.513 0.994 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483582 246177706 /nfs/dbraw/zinc/17/77/06/246177706.db2.gz RZVHXNZBCCMZLD-HOTGVXAUSA-N 1 3 368.522 0.844 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[C@H](CN)C1 ZINC000419480323 246178119 /nfs/dbraw/zinc/17/81/19/246178119.db2.gz NCVZKWCGMOHIFL-YESZJQIVSA-N 1 3 368.522 0.579 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[C@H](CN)C1 ZINC000419480323 246178124 /nfs/dbraw/zinc/17/81/24/246178124.db2.gz NCVZKWCGMOHIFL-YESZJQIVSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000419580016 246209503 /nfs/dbraw/zinc/20/95/03/246209503.db2.gz HWNQVGFWIRQLJR-RHSMWYFYSA-N 1 3 356.536 0.564 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000419586177 246212455 /nfs/dbraw/zinc/21/24/55/246212455.db2.gz NXELNYQTAWUWAP-SUMWQHHRSA-N 1 3 356.536 0.434 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N(C)C1CC1 ZINC000419587725 246212490 /nfs/dbraw/zinc/21/24/90/246212490.db2.gz NSPOQMCPFXCYAC-KBRIMQKVSA-N 1 3 366.506 0.330 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000419650367 246230710 /nfs/dbraw/zinc/23/07/10/246230710.db2.gz CVDMDZNQPPPXCI-YSHGAJCASA-N 1 3 370.497 0.976 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717419 246268731 /nfs/dbraw/zinc/26/87/31/246268731.db2.gz BFQYTZXSMLNYDG-DGCLKSJQSA-N 1 3 354.495 0.641 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000419663209 246236199 /nfs/dbraw/zinc/23/61/99/246236199.db2.gz PVHMXUGOAQAMMU-OQIJWPOYSA-N 1 3 370.497 0.834 20 0 FCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000419684816 246247589 /nfs/dbraw/zinc/24/75/89/246247589.db2.gz VTGOMQFEIAFCSM-MRXNPFEDSA-N 1 3 350.507 0.956 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000419701232 246257582 /nfs/dbraw/zinc/25/75/82/246257582.db2.gz YWGKSSVMZJCMAH-KCQAQPDRSA-N 1 3 352.479 0.349 20 0 FCADHO O=C(NC1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419717888 246268098 /nfs/dbraw/zinc/26/80/98/246268098.db2.gz CILJPRZJYJUROC-MSOLQXFVSA-N 1 3 370.497 0.835 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419759224 246286871 /nfs/dbraw/zinc/28/68/71/246286871.db2.gz GMZPRVKRQOLUPG-CEXWTWQISA-N 1 3 370.497 0.691 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CCCC2)CC1 ZINC000419757548 246287743 /nfs/dbraw/zinc/28/77/43/246287743.db2.gz UPVHFQUFBCSVSB-OAHLLOKOSA-N 1 3 366.506 0.394 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419734851 246276084 /nfs/dbraw/zinc/27/60/84/246276084.db2.gz PRFMECUWCIBXKJ-GOEBONIOSA-N 1 3 350.438 0.537 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419745475 246279450 /nfs/dbraw/zinc/27/94/50/246279450.db2.gz APHJMADZCQJVKW-UHFFFAOYSA-N 1 3 354.495 0.252 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000419834968 246313349 /nfs/dbraw/zinc/31/33/49/246313349.db2.gz UPKRTULMHXGMSD-NVXWUHKLSA-N 1 3 367.538 0.010 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419855330 246326767 /nfs/dbraw/zinc/32/67/67/246326767.db2.gz WNEHMFNDCFTSNP-UHFFFAOYSA-N 1 3 356.417 0.581 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867458 246334983 /nfs/dbraw/zinc/33/49/83/246334983.db2.gz KYWWRIVCTMEMOF-KRWDZBQOSA-N 1 3 367.538 0.169 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000419867114 246335499 /nfs/dbraw/zinc/33/54/99/246335499.db2.gz GWFWJHKQFSMPKA-UHFFFAOYSA-N 1 3 354.882 0.956 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000419869432 246337619 /nfs/dbraw/zinc/33/76/19/246337619.db2.gz BMYKOEIQCVRICH-CVEARBPZSA-N 1 3 364.490 0.983 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000419905366 246361529 /nfs/dbraw/zinc/36/15/29/246361529.db2.gz WFKDXPBPNANWHE-HUUCEWRRSA-N 1 3 350.463 0.674 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419945491 246380174 /nfs/dbraw/zinc/38/01/74/246380174.db2.gz SMXLPENUDVMQIV-LBPRGKRZSA-N 1 3 356.417 0.566 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423362398 247012034 /nfs/dbraw/zinc/01/20/34/247012034.db2.gz HPYCVITZZLAONI-UONOGXRCSA-N 1 3 352.504 0.834 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000423211118 246977973 /nfs/dbraw/zinc/97/79/73/246977973.db2.gz XZXFJJQJEBBDFE-UHFFFAOYSA-N 1 3 356.417 0.533 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530549 247045133 /nfs/dbraw/zinc/04/51/33/247045133.db2.gz PPSHROWYMNRVNV-IAGOWNOFSA-N 1 3 367.538 0.199 20 0 FCADHO CN(CCN)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530549 247045138 /nfs/dbraw/zinc/04/51/38/247045138.db2.gz PPSHROWYMNRVNV-IAGOWNOFSA-N 1 3 367.538 0.199 20 0 FCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)C1 ZINC000423568252 247056744 /nfs/dbraw/zinc/05/67/44/247056744.db2.gz RQZBLVZQXGVXSQ-RRQGHBQHSA-N 1 3 362.449 0.489 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCC1 ZINC000423583117 247061172 /nfs/dbraw/zinc/06/11/72/247061172.db2.gz YUQRTBBUEJBRFV-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423498582 247036858 /nfs/dbraw/zinc/03/68/58/247036858.db2.gz IFZMTRFTIBXEKH-IYBDPMFKSA-N 1 3 368.522 0.402 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423509596 247039943 /nfs/dbraw/zinc/03/99/43/247039943.db2.gz RRGVYQYKYOSJHC-UHFFFAOYSA-N 1 3 358.486 0.918 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423509596 247039946 /nfs/dbraw/zinc/03/99/46/247039946.db2.gz RRGVYQYKYOSJHC-UHFFFAOYSA-N 1 3 358.486 0.918 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000423690903 247110647 /nfs/dbraw/zinc/11/06/47/247110647.db2.gz ZFWYQHNZOAIXOV-GOEBONIOSA-N 1 3 354.495 0.284 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423609912 247075423 /nfs/dbraw/zinc/07/54/23/247075423.db2.gz MDVGXVOSKLFZSA-CVEARBPZSA-N 1 3 364.515 0.706 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423619664 247079552 /nfs/dbraw/zinc/07/95/52/247079552.db2.gz INTFHRCWYTYDNV-OAHLLOKOSA-N 1 3 354.495 0.286 20 0 FCADHO NC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423646709 247090266 /nfs/dbraw/zinc/09/02/66/247090266.db2.gz MGDHWNZYOBDZPW-FGTMMUONSA-N 1 3 356.470 0.527 20 0 FCADHO NC[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423646709 247090269 /nfs/dbraw/zinc/09/02/69/247090269.db2.gz MGDHWNZYOBDZPW-FGTMMUONSA-N 1 3 356.470 0.527 20 0 FCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423653338 247094844 /nfs/dbraw/zinc/09/48/44/247094844.db2.gz OTFVLNUNIHWNKF-CABCVRRESA-N 1 3 350.463 0.756 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccco1 ZINC000423703167 247116364 /nfs/dbraw/zinc/11/63/64/247116364.db2.gz ZQRJHPSJDJPKTM-CVEARBPZSA-N 1 3 362.474 0.913 20 0 FCADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423749492 247137491 /nfs/dbraw/zinc/13/74/91/247137491.db2.gz RUOAGNCVJLDZAX-XHSDSOJGSA-N 1 3 355.479 0.759 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425384576 247330788 /nfs/dbraw/zinc/33/07/88/247330788.db2.gz JXAPWJTVENGLJQ-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)NCCN2CCN(C)C(C)(C)C2)CCCO1 ZINC000442583120 248291952 /nfs/dbraw/zinc/29/19/52/248291952.db2.gz KLERGOKUVDRACQ-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)NCCN2CCN(C)C(C)(C)C2)CCCO1 ZINC000442583120 248291955 /nfs/dbraw/zinc/29/19/55/248291955.db2.gz KLERGOKUVDRACQ-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@H](C(=O)NCCCCN1CCN(CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444254990 248353513 /nfs/dbraw/zinc/35/35/13/248353513.db2.gz WMSWYCYXMDZLLK-KZNAEPCWSA-N 1 3 354.539 0.754 20 0 FCADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000446684693 248394142 /nfs/dbraw/zinc/39/41/42/248394142.db2.gz SWGHBHPFLNFKQM-UHFFFAOYSA-N 1 3 369.554 0.502 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000469995003 250019602 /nfs/dbraw/zinc/01/96/02/250019602.db2.gz ZEHBERWCOTWPJX-CYBMUJFWSA-N 1 3 353.492 0.267 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN(C)CCCN2CCN(C)CC2)CC1 ZINC000471213190 250092680 /nfs/dbraw/zinc/09/26/80/250092680.db2.gz PBLUOQIHHZMZPE-UHFFFAOYSA-N 1 3 353.555 0.545 20 0 FCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)NCCOCCN(C)C)CC2)CC1 ZINC000471645419 250111055 /nfs/dbraw/zinc/11/10/55/250111055.db2.gz QECOSXRPTRJDDA-UHFFFAOYSA-N 1 3 369.554 0.765 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932479 250257331 /nfs/dbraw/zinc/25/73/31/250257331.db2.gz MHLWINCUBQMRAL-CABCVRRESA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932479 250257333 /nfs/dbraw/zinc/25/73/33/250257333.db2.gz MHLWINCUBQMRAL-CABCVRRESA-N 1 3 351.499 0.934 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000480930866 250298942 /nfs/dbraw/zinc/29/89/42/250298942.db2.gz IQRVRRKWEUAOKX-BZUAXINKSA-N 1 3 356.511 0.163 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481700372 250350335 /nfs/dbraw/zinc/35/03/35/250350335.db2.gz ZBFNMTFLAHBVRB-AEFFLSMTSA-N 1 3 371.595 0.997 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000481772690 250356680 /nfs/dbraw/zinc/35/66/80/250356680.db2.gz BNMSLEXOYDAWBR-NVXWUHKLSA-N 1 3 358.552 0.816 20 0 FCADHO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000482370338 250387917 /nfs/dbraw/zinc/38/79/17/250387917.db2.gz ICOIYQZYERWZSH-LJQANCHMSA-N 1 3 360.502 0.975 20 0 FCADHO CCN(CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC1 ZINC000105322914 208199409 /nfs/dbraw/zinc/19/94/09/208199409.db2.gz MUYDZHVZYSKZOX-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CC1 ZINC000105322914 208199420 /nfs/dbraw/zinc/19/94/20/208199420.db2.gz MUYDZHVZYSKZOX-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000114789165 208317122 /nfs/dbraw/zinc/31/71/22/208317122.db2.gz SQSGYRYJTLLGAL-KRWDZBQOSA-N 1 3 365.522 0.854 20 0 FCADHO C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)CN1CCN(C)CC1 ZINC000173919710 229210430 /nfs/dbraw/zinc/21/04/30/229210430.db2.gz UKDGFFRPJLNPGH-OAHLLOKOSA-N 1 3 351.499 0.450 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000189339602 229251463 /nfs/dbraw/zinc/25/14/63/229251463.db2.gz DIRWUUSGNMRDMP-UHFFFAOYSA-N 1 3 359.540 0.928 20 0 FCADHO CN(C)[C@@]1(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCSC1 ZINC000333445636 229894668 /nfs/dbraw/zinc/89/46/68/229894668.db2.gz WTRCLPLOUITIDC-HLLBOEOZSA-N 1 3 356.536 0.962 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410432867 230078408 /nfs/dbraw/zinc/07/84/08/230078408.db2.gz KNTLUIUWQISHCP-HOTGVXAUSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410441114 230081097 /nfs/dbraw/zinc/08/10/97/230081097.db2.gz XZYIXYOZFAHOFP-APWZRJJASA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410441114 230081100 /nfs/dbraw/zinc/08/11/00/230081100.db2.gz XZYIXYOZFAHOFP-APWZRJJASA-N 1 3 366.506 0.110 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410503534 230109099 /nfs/dbraw/zinc/10/90/99/230109099.db2.gz NUADVTQHHJTBQL-UHFFFAOYSA-N 1 3 354.495 0.110 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)CC2 ZINC000410727765 230218847 /nfs/dbraw/zinc/21/88/47/230218847.db2.gz CDWAYWIDEPHVMP-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)n1nnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000933462303 674258271 /nfs/dbraw/zinc/25/82/71/674258271.db2.gz VWEFSSYJLIYKPH-UHFFFAOYSA-N 1 3 350.471 0.934 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000627827060 484102101 /nfs/dbraw/zinc/10/21/01/484102101.db2.gz PIJXQMSPWSJLRU-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000627827060 484102107 /nfs/dbraw/zinc/10/21/07/484102107.db2.gz PIJXQMSPWSJLRU-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278968279 488907622 /nfs/dbraw/zinc/90/76/22/488907622.db2.gz IQYDEIFLMKVBEI-XJKSGUPXSA-N 1 3 362.478 0.159 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000569810236 491194174 /nfs/dbraw/zinc/19/41/74/491194174.db2.gz HYQPURDMZSWTEW-SOUVJXGZSA-N 1 3 361.490 0.965 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1=O ZINC000073327388 488384481 /nfs/dbraw/zinc/38/44/81/488384481.db2.gz GTJPGPYSTOCVAH-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CN1CCN(C)CC1 ZINC000074657066 488393528 /nfs/dbraw/zinc/39/35/28/488393528.db2.gz DCSAWJWIMCASFU-MSOLQXFVSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335639 491195185 /nfs/dbraw/zinc/19/51/85/491195185.db2.gz ZCZAQQJLLBQKSQ-MAUKXSAKSA-N 1 3 372.513 0.801 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335639 491195188 /nfs/dbraw/zinc/19/51/88/491195188.db2.gz ZCZAQQJLLBQKSQ-MAUKXSAKSA-N 1 3 372.513 0.801 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000187014865 488408464 /nfs/dbraw/zinc/40/84/64/488408464.db2.gz WZBHPTNNXQMJSJ-AEFFLSMTSA-N 1 3 368.522 0.404 20 0 FCADHO O=C(C[C@H]1CSCCN1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000238081517 488458781 /nfs/dbraw/zinc/45/87/81/488458781.db2.gz WWFKQKXCWQLXNK-KKUMJFAQSA-N 1 3 354.520 0.188 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000245703260 488465448 /nfs/dbraw/zinc/46/54/48/488465448.db2.gz RHMPFQSEQHTPLP-QBPKDAKJSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000245703260 488465450 /nfs/dbraw/zinc/46/54/50/488465450.db2.gz RHMPFQSEQHTPLP-QBPKDAKJSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000569910286 491202515 /nfs/dbraw/zinc/20/25/15/491202515.db2.gz GVIITBWLUNGFAA-UHFFFAOYSA-N 1 3 368.522 0.548 20 0 FCADHO CCN(CC)CC(=O)N1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000103492719 488501827 /nfs/dbraw/zinc/50/18/27/488501827.db2.gz FKKJWWVICLFWBJ-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000103605532 488502368 /nfs/dbraw/zinc/50/23/68/488502368.db2.gz XMAKJACYFHECAU-INIZCTEOSA-N 1 3 365.522 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000103605532 488502369 /nfs/dbraw/zinc/50/23/69/488502369.db2.gz XMAKJACYFHECAU-INIZCTEOSA-N 1 3 365.522 0.666 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000249501076 488510373 /nfs/dbraw/zinc/51/03/73/488510373.db2.gz XFLMYZKEZKBYEZ-BBWFWOEESA-N 1 3 368.522 0.437 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000249481732 488510545 /nfs/dbraw/zinc/51/05/45/488510545.db2.gz WZBHPTNNXQMJSJ-WMZOPIPTSA-N 1 3 368.522 0.404 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000114378449 488539968 /nfs/dbraw/zinc/53/99/68/488539968.db2.gz XFJMXOUJZOXRCP-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000121371250 488567420 /nfs/dbraw/zinc/56/74/20/488567420.db2.gz HGFGZFJWCARGDG-SFHVURJKSA-N 1 3 352.479 0.739 20 0 FCADHO CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000124230844 488590579 /nfs/dbraw/zinc/59/05/79/488590579.db2.gz UKHIZSGANDYTPG-QGZVFWFLSA-N 1 3 362.474 0.302 20 0 FCADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1(C)C ZINC000262782732 488593261 /nfs/dbraw/zinc/59/32/61/488593261.db2.gz LKEKJZKXEOKIGY-DNVCBOLYSA-N 1 3 366.506 0.286 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CN1C1CC1 ZINC000124924824 488596534 /nfs/dbraw/zinc/59/65/34/488596534.db2.gz GSEVVJJFERWREZ-QLFBSQMISA-N 1 3 351.495 0.498 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CN1C1CC1 ZINC000124924824 488596536 /nfs/dbraw/zinc/59/65/36/488596536.db2.gz GSEVVJJFERWREZ-QLFBSQMISA-N 1 3 351.495 0.498 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000263253020 488607524 /nfs/dbraw/zinc/60/75/24/488607524.db2.gz PPLPWGWJPMHUQQ-KRWDZBQOSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000130582284 488638470 /nfs/dbraw/zinc/63/84/70/488638470.db2.gz WOFHAELWXFYGLY-UHFFFAOYSA-N 1 3 358.446 0.520 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000130608621 488638679 /nfs/dbraw/zinc/63/86/79/488638679.db2.gz KXTDRIYYNXQCIW-UHFFFAOYSA-N 1 3 374.445 0.627 20 0 FCADHO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCCN(C)C ZINC000131037351 488642378 /nfs/dbraw/zinc/64/23/78/488642378.db2.gz KQYLLUHKJATIGR-UHFFFAOYSA-N 1 3 370.519 0.516 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000133681187 488660895 /nfs/dbraw/zinc/66/08/95/488660895.db2.gz AQONJKRHPPZBIT-OAHLLOKOSA-N 1 3 352.483 0.877 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000137243360 488680099 /nfs/dbraw/zinc/68/00/99/488680099.db2.gz BZRUSSSRAURFEH-KRWDZBQOSA-N 1 3 358.486 0.984 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2)CC1 ZINC000274534006 488717247 /nfs/dbraw/zinc/71/72/47/488717247.db2.gz QAOLGEWKVZDHDR-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)c2)CC1 ZINC000274534006 488717248 /nfs/dbraw/zinc/71/72/48/488717248.db2.gz QAOLGEWKVZDHDR-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO COCCN(CCCNC(=O)/C=C/C[NH+](C)C)C(=O)/C=C/CN(C)C ZINC000274586473 488721440 /nfs/dbraw/zinc/72/14/40/488721440.db2.gz PQGRDVAIRQREGY-KZZDLZNXSA-N 1 3 354.495 0.203 20 0 FCADHO COCCN(CCCNC(=O)/C=C/CN(C)C)C(=O)/C=C/C[NH+](C)C ZINC000274586473 488721442 /nfs/dbraw/zinc/72/14/42/488721442.db2.gz PQGRDVAIRQREGY-KZZDLZNXSA-N 1 3 354.495 0.203 20 0 FCADHO [NH3+]C[C@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154155 491222515 /nfs/dbraw/zinc/22/25/15/491222515.db2.gz PGGQQQYLWJZSFB-NSHDSACASA-N 1 3 366.384 0.452 20 0 FCADHO NC[C@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154155 491222520 /nfs/dbraw/zinc/22/25/20/491222520.db2.gz PGGQQQYLWJZSFB-NSHDSACASA-N 1 3 366.384 0.452 20 0 FCADHO COC(=O)Cn1cc(CCN2CCC(OCC[NH+]3CCCC3)CC2)nn1 ZINC000154195767 488739499 /nfs/dbraw/zinc/73/94/99/488739499.db2.gz WBLOGUMGGNJNQL-UHFFFAOYSA-N 1 3 365.478 0.570 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000154378923 488742520 /nfs/dbraw/zinc/74/25/20/488742520.db2.gz VUQWGDCAUIIJQO-HNNXBMFYSA-N 1 3 364.494 0.716 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000154378923 488742522 /nfs/dbraw/zinc/74/25/22/488742522.db2.gz VUQWGDCAUIIJQO-HNNXBMFYSA-N 1 3 364.494 0.716 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155615174 488757218 /nfs/dbraw/zinc/75/72/18/488757218.db2.gz OCOSNZYGVHHJTH-FUHWJXTLSA-N 1 3 352.523 0.630 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155615174 488757221 /nfs/dbraw/zinc/75/72/21/488757221.db2.gz OCOSNZYGVHHJTH-FUHWJXTLSA-N 1 3 352.523 0.630 20 0 FCADHO NC[C@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC12CCOCC2 ZINC000563154155 491222518 /nfs/dbraw/zinc/22/25/18/491222518.db2.gz PGGQQQYLWJZSFB-NSHDSACASA-N 1 3 366.384 0.452 20 0 FCADHO COC1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CC[NH2+]CC1 ZINC000168376601 488812820 /nfs/dbraw/zinc/81/28/20/488812820.db2.gz PERYVXUMXZSMSO-UHFFFAOYSA-N 1 3 362.474 0.363 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199378 491224043 /nfs/dbraw/zinc/22/40/43/491224043.db2.gz NNNFHCXLODTVSA-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199378 491224045 /nfs/dbraw/zinc/22/40/45/491224045.db2.gz NNNFHCXLODTVSA-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO CCN(CC)S(=O)(=O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174404419 488848934 /nfs/dbraw/zinc/84/89/34/488848934.db2.gz USYFQHVUKGMZPX-UHFFFAOYSA-N 1 3 374.551 0.333 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179319376 488861016 /nfs/dbraw/zinc/86/10/16/488861016.db2.gz LDMYAFWNHMATRC-SFHVURJKSA-N 1 3 369.554 0.765 20 0 FCADHO CN(CCOCC[N@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180699836 488862386 /nfs/dbraw/zinc/86/23/86/488862386.db2.gz FIHYCQPUZDIMEV-UHFFFAOYSA-N 1 3 354.495 0.463 20 0 FCADHO CN(CCOCC[N@@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180699836 488862387 /nfs/dbraw/zinc/86/23/87/488862387.db2.gz FIHYCQPUZDIMEV-UHFFFAOYSA-N 1 3 354.495 0.463 20 0 FCADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289378510 489063122 /nfs/dbraw/zinc/06/31/22/489063122.db2.gz IWYCLFRZLIFOMW-OAHLLOKOSA-N 1 3 363.506 0.928 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000331445790 489212688 /nfs/dbraw/zinc/21/26/88/489212688.db2.gz CFYFAJOBPLMXAE-XQLPTFJDSA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000331445790 489212690 /nfs/dbraw/zinc/21/26/90/489212690.db2.gz CFYFAJOBPLMXAE-XQLPTFJDSA-N 1 3 352.479 0.158 20 0 FCADHO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000332780540 489229126 /nfs/dbraw/zinc/22/91/26/489229126.db2.gz SUPWMMDGPUVARA-IRXDYDNUSA-N 1 3 365.522 0.759 20 0 FCADHO O=C1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1CCN1CCOCC1 ZINC000297734470 489231928 /nfs/dbraw/zinc/23/19/28/489231928.db2.gz SOORGZZBWFFITQ-SFHVURJKSA-N 1 3 373.501 0.573 20 0 FCADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1CCO ZINC000369463749 489241113 /nfs/dbraw/zinc/24/11/13/489241113.db2.gz OYUHGJSKSZYGJI-IXDOHACOSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1CCO ZINC000369463749 489241116 /nfs/dbraw/zinc/24/11/16/489241116.db2.gz OYUHGJSKSZYGJI-IXDOHACOSA-N 1 3 367.538 0.251 20 0 FCADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1CCO ZINC000369463749 489241117 /nfs/dbraw/zinc/24/11/17/489241117.db2.gz OYUHGJSKSZYGJI-IXDOHACOSA-N 1 3 367.538 0.251 20 0 FCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000369469130 489241824 /nfs/dbraw/zinc/24/18/24/489241824.db2.gz QTOFOIAKIJAJSY-ZWKOTPCHSA-N 1 3 374.485 0.709 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCN(C)C ZINC000563404587 491242664 /nfs/dbraw/zinc/24/26/64/491242664.db2.gz YNBUSCLLHRWIHH-JFIYKMOQSA-N 1 3 360.502 0.937 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCN(C)C ZINC000563404587 491242667 /nfs/dbraw/zinc/24/26/67/491242667.db2.gz YNBUSCLLHRWIHH-JFIYKMOQSA-N 1 3 360.502 0.937 20 0 FCADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)Cc2ccccc2C1 ZINC000361698768 489363274 /nfs/dbraw/zinc/36/32/74/489363274.db2.gz CDCWLIHNSABFDX-CRAIPNDOSA-N 1 3 370.497 0.590 20 0 FCADHO CN(CCCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)Cc1ccco1 ZINC000286333189 489380522 /nfs/dbraw/zinc/38/05/22/489380522.db2.gz AREVDTUTSXSDBW-MRXNPFEDSA-N 1 3 364.490 0.970 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370727241 489393481 /nfs/dbraw/zinc/39/34/81/489393481.db2.gz UYGAOOYKLZPFQE-IXDOHACOSA-N 1 3 363.506 0.561 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370727241 489393485 /nfs/dbraw/zinc/39/34/85/489393485.db2.gz UYGAOOYKLZPFQE-IXDOHACOSA-N 1 3 363.506 0.561 20 0 FCADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1c(C)noc1C ZINC000570604868 491252519 /nfs/dbraw/zinc/25/25/19/491252519.db2.gz NZZOIGVDJRNDFS-HNNXBMFYSA-N 1 3 367.494 0.811 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363184787 489435186 /nfs/dbraw/zinc/43/51/86/489435186.db2.gz HMPORJDCYUGABY-GASCZTMLSA-N 1 3 355.479 0.487 20 0 FCADHO CC[NH+]1CCN(CCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000299639784 489466303 /nfs/dbraw/zinc/46/63/03/489466303.db2.gz KIVYPSRIOHIZBP-UHFFFAOYSA-N 1 3 374.533 0.477 20 0 FCADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423158712 489498414 /nfs/dbraw/zinc/49/84/14/489498414.db2.gz XBESRCXZBWYJLB-ROUUACIJSA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423169461 489498660 /nfs/dbraw/zinc/49/86/60/489498660.db2.gz VWYMUPUHPLKPQA-IBGZPJMESA-N 1 3 364.465 0.913 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423164724 489498880 /nfs/dbraw/zinc/49/88/80/489498880.db2.gz PAECPLPNUSKHNT-HNNXBMFYSA-N 1 3 350.438 0.523 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000423170288 489499662 /nfs/dbraw/zinc/49/96/62/489499662.db2.gz XSDOIHKXEOOKIH-HNNXBMFYSA-N 1 3 350.463 0.689 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000423173148 489499774 /nfs/dbraw/zinc/49/97/74/489499774.db2.gz XDUWKMPZOBETGG-JKSUJKDBSA-N 1 3 362.474 0.546 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)o1 ZINC000423172946 489499842 /nfs/dbraw/zinc/49/98/42/489499842.db2.gz WBOYPQZZLKRCNS-GOSISDBHSA-N 1 3 350.463 0.676 20 0 FCADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCCCN1CC[NH2+]CC1 ZINC000423189185 489500964 /nfs/dbraw/zinc/50/09/64/489500964.db2.gz QLNVNSJPPDSEIR-OAHLLOKOSA-N 1 3 354.520 0.897 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000423198364 489501299 /nfs/dbraw/zinc/50/12/99/489501299.db2.gz FMYKQVMKMCIMRE-KRWDZBQOSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748338 491261812 /nfs/dbraw/zinc/26/18/12/491261812.db2.gz AFFWPPHMCFCZBA-CVEARBPZSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748338 491261813 /nfs/dbraw/zinc/26/18/13/491261813.db2.gz AFFWPPHMCFCZBA-CVEARBPZSA-N 1 3 366.506 0.347 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCCN(C)C ZINC000415753488 489550221 /nfs/dbraw/zinc/55/02/21/489550221.db2.gz YMNADQNYNCJIBT-HZPDHXFCSA-N 1 3 374.485 0.942 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1OCCN(C)C ZINC000415876099 489563072 /nfs/dbraw/zinc/56/30/72/489563072.db2.gz ZTLKZUVPBWKUNU-HOTGVXAUSA-N 1 3 374.485 0.942 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(C)CC[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000415877183 489563155 /nfs/dbraw/zinc/56/31/55/489563155.db2.gz HHIYXXBFPUHVOW-UHFFFAOYSA-N 1 3 361.490 0.881 20 0 FCADHO Cn1nnc2cc(C[NH2+]CC3(N4CCOCC4)CCN(C)CC3)ccc21 ZINC000563688846 491263275 /nfs/dbraw/zinc/26/32/75/491263275.db2.gz BGZSYFLJLJADPQ-UHFFFAOYSA-N 1 3 358.490 0.855 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000415901201 489564845 /nfs/dbraw/zinc/56/48/45/489564845.db2.gz WZHDVESFVWMAEN-HOTGVXAUSA-N 1 3 374.485 0.942 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416004575 489567450 /nfs/dbraw/zinc/56/74/50/489567450.db2.gz IQPCKTFNZYZUPG-VXGBXAGGSA-N 1 3 367.416 0.508 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000416877258 489632271 /nfs/dbraw/zinc/63/22/71/489632271.db2.gz COFTYGMYCRSSKL-KRWDZBQOSA-N 1 3 361.490 0.745 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000416981793 489637915 /nfs/dbraw/zinc/63/79/15/489637915.db2.gz DEHKBXVENYRQPG-UHFFFAOYSA-N 1 3 363.506 0.287 20 0 FCADHO CC1CCN(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417021556 489638606 /nfs/dbraw/zinc/63/86/06/489638606.db2.gz UGEYVLYHKAJPAC-CQSZACIVSA-N 1 3 365.444 0.854 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417091715 489641297 /nfs/dbraw/zinc/64/12/97/489641297.db2.gz KMENVEJIOLQTIO-IAGOWNOFSA-N 1 3 356.511 0.883 20 0 FCADHO O=C(NCCCN1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1 ZINC000417102642 489641763 /nfs/dbraw/zinc/64/17/63/489641763.db2.gz CFXRSACOKXHZRT-UHFFFAOYSA-N 1 3 369.579 0.943 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417323623 489648873 /nfs/dbraw/zinc/64/88/73/489648873.db2.gz HAADHLVSWBRHOX-OAGGEKHMSA-N 1 3 353.511 0.603 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417431710 489652567 /nfs/dbraw/zinc/65/25/67/489652567.db2.gz RNFYNGYOZHGHDG-HNNXBMFYSA-N 1 3 353.511 0.618 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000417460903 489654553 /nfs/dbraw/zinc/65/45/53/489654553.db2.gz RPUSEJVQECIKAM-MRXNPFEDSA-N 1 3 350.463 0.805 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000417456480 489655065 /nfs/dbraw/zinc/65/50/65/489655065.db2.gz BSLLXZSVFYOTKM-KRWDZBQOSA-N 1 3 361.490 0.871 20 0 FCADHO CN(CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620617 489660055 /nfs/dbraw/zinc/66/00/55/489660055.db2.gz DHSDBSQZVZSYFN-GOEBONIOSA-N 1 3 351.495 0.370 20 0 FCADHO CC[N@@H+]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000428704847 489661229 /nfs/dbraw/zinc/66/12/29/489661229.db2.gz ZZFZLUJQAPGYLF-UHFFFAOYSA-N 1 3 355.527 0.114 20 0 FCADHO CC[N@H+]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000428704847 489661232 /nfs/dbraw/zinc/66/12/32/489661232.db2.gz ZZFZLUJQAPGYLF-UHFFFAOYSA-N 1 3 355.527 0.114 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCN1C ZINC000418001084 489674711 /nfs/dbraw/zinc/67/47/11/489674711.db2.gz KHLSDOXAAXMHLU-TWMKSMIVSA-N 1 3 365.522 0.759 20 0 FCADHO C[NH+](C)CCOc1cnccc1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000418199282 489684903 /nfs/dbraw/zinc/68/49/03/489684903.db2.gz WVMDGDHUYHKMDW-AWEZNQCLSA-N 1 3 357.405 0.818 20 0 FCADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418235779 489685382 /nfs/dbraw/zinc/68/53/82/489685382.db2.gz LJTDWJUSSWYWTO-SJORKVTESA-N 1 3 367.538 0.993 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429446085 489687424 /nfs/dbraw/zinc/68/74/24/489687424.db2.gz GMRVDUBFAGJAMK-HOTGVXAUSA-N 1 3 364.556 0.545 20 0 FCADHO COCC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418483391 489701805 /nfs/dbraw/zinc/70/18/05/489701805.db2.gz CDDCJSZXIWYGKP-ROUUACIJSA-N 1 3 364.490 0.405 20 0 FCADHO COCC[NH2+]CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418511844 489703049 /nfs/dbraw/zinc/70/30/49/489703049.db2.gz SBPKJSUMQUTOII-SFHVURJKSA-N 1 3 350.463 0.159 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418557678 489706939 /nfs/dbraw/zinc/70/69/39/489706939.db2.gz WVWYCBKQLVATTE-SFHVURJKSA-N 1 3 353.511 0.572 20 0 FCADHO [NH3+]C[C@@H](NC(=O)NCC(=O)NCCN1CCCCCC1)C1CCCC1 ZINC000418621973 489711810 /nfs/dbraw/zinc/71/18/10/489711810.db2.gz MLPOYDLFSOWAJU-MRXNPFEDSA-N 1 3 353.511 0.795 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623384 489711927 /nfs/dbraw/zinc/71/19/27/489711927.db2.gz XBQMMUHOMRCZJC-CYBMUJFWSA-N 1 3 353.433 0.804 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623872 489712786 /nfs/dbraw/zinc/71/27/86/489712786.db2.gz XXHUYFLRLGXHGD-CYBMUJFWSA-N 1 3 369.432 0.042 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418634510 489713281 /nfs/dbraw/zinc/71/32/81/489713281.db2.gz FQGCCEKGSZDUMZ-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO COC[C@@]1(CNC(=O)NC(C)(C)CCN2CCN(C)CC2)CCC[NH2+]1 ZINC000418650805 489715182 /nfs/dbraw/zinc/71/51/82/489715182.db2.gz GREGTLJQCPMQPI-SFHVURJKSA-N 1 3 355.527 0.470 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418760966 489723510 /nfs/dbraw/zinc/72/35/10/489723510.db2.gz FPZWVYDVFBRJHI-HZPDHXFCSA-N 1 3 351.495 0.467 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418774522 489726136 /nfs/dbraw/zinc/72/61/36/489726136.db2.gz YWRMCMPOHMNNGB-RBUKOAKNSA-N 1 3 374.533 0.981 20 0 FCADHO O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418779556 489726156 /nfs/dbraw/zinc/72/61/56/489726156.db2.gz ZESZSROIPVNULV-JYJNAYRXSA-N 1 3 368.428 0.918 20 0 FCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000418823950 489740494 /nfs/dbraw/zinc/74/04/94/489740494.db2.gz ADAISNGBCJXXCU-OWCLPIDISA-N 1 3 350.507 0.871 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC2)CC1 ZINC000473918188 489744162 /nfs/dbraw/zinc/74/41/62/489744162.db2.gz JKGHUPYWCLLAHN-UHFFFAOYSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836083 489746626 /nfs/dbraw/zinc/74/66/26/489746626.db2.gz PAUMOEIZEJCJJK-UONOGXRCSA-N 1 3 354.495 0.596 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000418834951 489746784 /nfs/dbraw/zinc/74/67/84/489746784.db2.gz MUUZEXIRHUWWDE-LSDHHAIUSA-N 1 3 354.495 0.332 20 0 FCADHO CCCN(C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000418847501 489754128 /nfs/dbraw/zinc/75/41/28/489754128.db2.gz JIGMNVRWOOVKLO-QZTJIDSGSA-N 1 3 360.502 0.876 20 0 FCADHO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC(C[NH3+])CC1 ZINC000430632676 489759372 /nfs/dbraw/zinc/75/93/72/489759372.db2.gz ZAOPKQNWAFQKGN-QWHCGFSZSA-N 1 3 368.503 0.570 20 0 FCADHO CCCN(C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000418875040 489769488 /nfs/dbraw/zinc/76/94/88/489769488.db2.gz CLGOKYFARRKBAG-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO NC1(CNC(=O)C(=O)N[C@H]2CCCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418875130 489770030 /nfs/dbraw/zinc/77/00/30/489770030.db2.gz VTIZGVLZAFUNKV-KRWDZBQOSA-N 1 3 374.485 0.391 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cn1 ZINC000430785609 489770532 /nfs/dbraw/zinc/77/05/32/489770532.db2.gz XLOCHEFMCQDRDO-INIZCTEOSA-N 1 3 358.446 0.242 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430894028 489775187 /nfs/dbraw/zinc/77/51/87/489775187.db2.gz JBJDZFLQGGHDQA-HNNXBMFYSA-N 1 3 350.467 0.352 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459899288 489784887 /nfs/dbraw/zinc/78/48/87/489784887.db2.gz QDGIMGUPUPAECV-IAGOWNOFSA-N 1 3 367.538 0.023 20 0 FCADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)COC1CNC1 ZINC000431025669 489785346 /nfs/dbraw/zinc/78/53/46/489785346.db2.gz UFXFJDUIMVEORW-UHFFFAOYSA-N 1 3 352.523 0.630 20 0 FCADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000459905873 489786391 /nfs/dbraw/zinc/78/63/91/489786391.db2.gz NZLHTUSLHXLZPW-UHFFFAOYSA-N 1 3 369.554 0.129 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000459908582 489787211 /nfs/dbraw/zinc/78/72/11/489787211.db2.gz QPIISSOCBNGGGE-DLBZAZTESA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459908582 489787215 /nfs/dbraw/zinc/78/72/15/489787215.db2.gz QPIISSOCBNGGGE-DLBZAZTESA-N 1 3 352.523 0.975 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)Nc3ccnn3CC[NH+](C)C)C2)CC1 ZINC000555877648 491278913 /nfs/dbraw/zinc/27/89/13/491278913.db2.gz UTLRQGRSSQRCIX-INIZCTEOSA-N 1 3 363.510 0.688 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000491073334 489793993 /nfs/dbraw/zinc/79/39/93/489793993.db2.gz DCMJHFRMODBFLP-GOSISDBHSA-N 1 3 352.523 0.726 20 0 FCADHO CC(C)C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000570999786 491279442 /nfs/dbraw/zinc/27/94/42/491279442.db2.gz YLFDSDPDBFKBSM-IRXDYDNUSA-N 1 3 370.538 0.648 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000418949855 489801928 /nfs/dbraw/zinc/80/19/28/489801928.db2.gz QALQCYABQCSLKW-JQHSSLGASA-N 1 3 358.486 0.976 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000459997729 489812938 /nfs/dbraw/zinc/81/29/38/489812938.db2.gz TYBAVOJXWTXQLF-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000459997729 489812941 /nfs/dbraw/zinc/81/29/41/489812941.db2.gz TYBAVOJXWTXQLF-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO NCCN(CCO)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419003534 489814376 /nfs/dbraw/zinc/81/43/76/489814376.db2.gz CWCICKQDRMFHKE-UHFFFAOYSA-N 1 3 362.474 0.068 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419023856 489821866 /nfs/dbraw/zinc/82/18/66/489821866.db2.gz KASPDQOFQNPGTE-CVEARBPZSA-N 1 3 368.522 0.579 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000419029325 489824467 /nfs/dbraw/zinc/82/44/67/489824467.db2.gz RRKNDBOYAZXFSC-NXOAAHMSSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)([NH3+])CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419030051 489825027 /nfs/dbraw/zinc/82/50/27/489825027.db2.gz GWTHSZALGJBSPL-UHFFFAOYSA-N 1 3 356.536 0.708 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419044686 489832000 /nfs/dbraw/zinc/83/20/00/489832000.db2.gz QPWIBKBDTVXKTH-INIZCTEOSA-N 1 3 354.495 0.332 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419047054 489834251 /nfs/dbraw/zinc/83/42/51/489834251.db2.gz RGJOVGBORCCDSX-BZUAXINKSA-N 1 3 368.522 0.578 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419056431 489837506 /nfs/dbraw/zinc/83/75/06/489837506.db2.gz LMKLLMLAVWCEMD-KZNAEPCWSA-N 1 3 374.485 0.118 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419069166 489843576 /nfs/dbraw/zinc/84/35/76/489843576.db2.gz GBXUQUYREMOEPQ-DOTOQJQBSA-N 1 3 362.474 0.754 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419099492 489854912 /nfs/dbraw/zinc/85/49/12/489854912.db2.gz DUXCCGXVTRWJJC-SJORKVTESA-N 1 3 358.486 0.881 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419103970 489856368 /nfs/dbraw/zinc/85/63/68/489856368.db2.gz GUVCAWCVPGHYCX-BPQIPLTHSA-N 1 3 358.486 0.691 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000460277982 489861374 /nfs/dbraw/zinc/86/13/74/489861374.db2.gz UKXIAHHZDYNHFD-RYRKJORJSA-N 1 3 354.495 0.120 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000460277980 489861663 /nfs/dbraw/zinc/86/16/63/489861663.db2.gz UKXIAHHZDYNHFD-JZXOWHBKSA-N 1 3 354.495 0.120 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000476028675 489862242 /nfs/dbraw/zinc/86/22/42/489862242.db2.gz CUQCHPJBTUXOEF-KRWDZBQOSA-N 1 3 356.511 0.896 20 0 FCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419119973 489864694 /nfs/dbraw/zinc/86/46/94/489864694.db2.gz KRGFOBOWCCYDNU-QZWWFDLISA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419979357 489871749 /nfs/dbraw/zinc/87/17/49/489871749.db2.gz PHFDLHUYSAKCBR-CVEARBPZSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419993962 489875544 /nfs/dbraw/zinc/87/55/44/489875544.db2.gz KZURVQYXINDFQF-ILXRZTDVSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000420030413 489886308 /nfs/dbraw/zinc/88/63/08/489886308.db2.gz GOMRMXPKQOEFKL-HIFRSBDPSA-N 1 3 366.462 0.399 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433470150 489887725 /nfs/dbraw/zinc/88/77/25/489887725.db2.gz YGWVWOTXMGEDSS-ROUUACIJSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433470150 489887729 /nfs/dbraw/zinc/88/77/29/489887729.db2.gz YGWVWOTXMGEDSS-ROUUACIJSA-N 1 3 369.554 0.813 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420050587 489893685 /nfs/dbraw/zinc/89/36/85/489893685.db2.gz ZEJJDIAAOQADSN-KKUMJFAQSA-N 1 3 354.495 0.406 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420050587 489893687 /nfs/dbraw/zinc/89/36/87/489893687.db2.gz ZEJJDIAAOQADSN-KKUMJFAQSA-N 1 3 354.495 0.406 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420053149 489894495 /nfs/dbraw/zinc/89/44/95/489894495.db2.gz IMMRAZGZNBNGIH-GASCZTMLSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000420062008 489898919 /nfs/dbraw/zinc/89/89/19/489898919.db2.gz MJAALQOMKDVYEQ-HIFRSBDPSA-N 1 3 354.495 0.406 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420065205 489899846 /nfs/dbraw/zinc/89/98/46/489899846.db2.gz XINGFNGMMHMLMH-MRXNPFEDSA-N 1 3 361.490 0.748 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420064104 489900223 /nfs/dbraw/zinc/90/02/23/489900223.db2.gz OGZCJSDTMOETGM-GOSISDBHSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420075479 489904040 /nfs/dbraw/zinc/90/40/40/489904040.db2.gz SPEYWCPZMZQPMT-MRXNPFEDSA-N 1 3 350.463 0.804 20 0 FCADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091168 489908222 /nfs/dbraw/zinc/90/82/22/489908222.db2.gz MMFFZKSBCUFPHB-HXUWFJFHSA-N 1 3 374.485 0.079 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000420090494 489908365 /nfs/dbraw/zinc/90/83/65/489908365.db2.gz AUISKCLSDGKLOH-UHFFFAOYSA-N 1 3 362.474 0.583 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000420097688 489911167 /nfs/dbraw/zinc/91/11/67/489911167.db2.gz AFQJTXLYLKSDQH-YOEHRIQHSA-N 1 3 364.465 0.973 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000420156390 489935013 /nfs/dbraw/zinc/93/50/13/489935013.db2.gz MXRCYDUHRIHNFN-CQSZACIVSA-N 1 3 352.454 0.830 20 0 FCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420173065 489939788 /nfs/dbraw/zinc/93/97/88/489939788.db2.gz WJBATKOJNNPQQJ-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420173067 489940011 /nfs/dbraw/zinc/94/00/11/489940011.db2.gz WJBATKOJNNPQQJ-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000420174142 489940715 /nfs/dbraw/zinc/94/07/15/489940715.db2.gz SQEHXGQQXBAUIN-CYBMUJFWSA-N 1 3 370.444 0.969 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420184643 489944144 /nfs/dbraw/zinc/94/41/44/489944144.db2.gz IPDNTFQAEYRVNN-HNNXBMFYSA-N 1 3 368.503 0.133 20 0 FCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420204700 489951389 /nfs/dbraw/zinc/95/13/89/489951389.db2.gz SQSHATSANHGHPE-INIZCTEOSA-N 1 3 354.495 0.062 20 0 FCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420204700 489951392 /nfs/dbraw/zinc/95/13/92/489951392.db2.gz SQSHATSANHGHPE-INIZCTEOSA-N 1 3 354.495 0.062 20 0 FCADHO NC1(CNC(=O)C(=O)N2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000420206326 489952408 /nfs/dbraw/zinc/95/24/08/489952408.db2.gz OTEWKIWCJMMWBH-UHFFFAOYSA-N 1 3 360.458 0.650 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420207298 489952790 /nfs/dbraw/zinc/95/27/90/489952790.db2.gz UGADWZSMYUSETN-IXDOHACOSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420207298 489952794 /nfs/dbraw/zinc/95/27/94/489952794.db2.gz UGADWZSMYUSETN-IXDOHACOSA-N 1 3 366.506 0.204 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420415564 489973317 /nfs/dbraw/zinc/97/33/17/489973317.db2.gz BCJDYTBNWDCNSU-WFASDCNBSA-N 1 3 357.524 0.809 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000420453670 489979899 /nfs/dbraw/zinc/97/98/99/489979899.db2.gz DDQXUJJFNFJALM-AWEZNQCLSA-N 1 3 357.524 0.728 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420468924 489982266 /nfs/dbraw/zinc/98/22/66/489982266.db2.gz YJGYMBIMJPSTBS-DOMZBBRYSA-N 1 3 357.524 0.809 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000477683580 489984566 /nfs/dbraw/zinc/98/45/66/489984566.db2.gz PGUNTSYUBAPHLV-MRXNPFEDSA-N 1 3 368.522 0.452 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378001943 489994285 /nfs/dbraw/zinc/99/42/85/489994285.db2.gz KVJWVJPLBPZWCC-HNNXBMFYSA-N 1 3 367.538 0.959 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887234 489994856 /nfs/dbraw/zinc/99/48/56/489994856.db2.gz ACBYWBNZGKNXAA-ZJPYXAASSA-N 1 3 362.518 0.824 20 0 FCADHO NCc1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000463496714 490020913 /nfs/dbraw/zinc/02/09/13/490020913.db2.gz SKEMRGWKCOGNPH-UHFFFAOYSA-N 1 3 354.458 0.877 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000420842991 490026028 /nfs/dbraw/zinc/02/60/28/490026028.db2.gz NQUIZZPSJDLWNF-MRXNPFEDSA-N 1 3 353.511 0.714 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000378202973 490027934 /nfs/dbraw/zinc/02/79/34/490027934.db2.gz PLEMLYONRZQAFR-IBGZPJMESA-N 1 3 364.465 0.977 20 0 FCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000545154307 490085539 /nfs/dbraw/zinc/08/55/39/490085539.db2.gz JNTCDUACUDGTCQ-HXUWFJFHSA-N 1 3 360.502 0.772 20 0 FCADHO C[N@H+]1CC[C@@](O)(CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000545154307 490085542 /nfs/dbraw/zinc/08/55/42/490085542.db2.gz JNTCDUACUDGTCQ-HXUWFJFHSA-N 1 3 360.502 0.772 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@H+](C)CCC ZINC000497035034 490136414 /nfs/dbraw/zinc/13/64/14/490136414.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 1 3 358.552 0.730 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1CSCCN1C(=O)C[N@@H+](C)CCC ZINC000497035034 490136420 /nfs/dbraw/zinc/13/64/20/490136420.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 1 3 358.552 0.730 20 0 FCADHO CCCN(C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC000497035034 490136425 /nfs/dbraw/zinc/13/64/25/490136425.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 1 3 358.552 0.730 20 0 FCADHO CCCN(C)CC(=O)N1CCSC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC000497035034 490136430 /nfs/dbraw/zinc/13/64/30/490136430.db2.gz LEWZEXAZNASBGL-OAHLLOKOSA-N 1 3 358.552 0.730 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748549 490142648 /nfs/dbraw/zinc/14/26/48/490142648.db2.gz UBZSVZKPZPCNKY-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748549 490142654 /nfs/dbraw/zinc/14/26/54/490142654.db2.gz UBZSVZKPZPCNKY-MRXNPFEDSA-N 1 3 355.527 0.912 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000465839716 490147217 /nfs/dbraw/zinc/14/72/17/490147217.db2.gz JJUXCQDMSIHEGR-BZUAXINKSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000465839716 490147221 /nfs/dbraw/zinc/14/72/21/490147221.db2.gz JJUXCQDMSIHEGR-BZUAXINKSA-N 1 3 353.511 0.711 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556205407 491302936 /nfs/dbraw/zinc/30/29/36/491302936.db2.gz OWICLGHWSSVPHA-PBHICJAKSA-N 1 3 356.536 0.388 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556205407 491302939 /nfs/dbraw/zinc/30/29/39/491302939.db2.gz OWICLGHWSSVPHA-PBHICJAKSA-N 1 3 356.536 0.388 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272728 490156803 /nfs/dbraw/zinc/15/68/03/490156803.db2.gz UKNIZEZYJWMKSY-GJRWTSMGSA-N 1 3 366.506 0.223 20 0 FCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000446272728 490156807 /nfs/dbraw/zinc/15/68/07/490156807.db2.gz UKNIZEZYJWMKSY-GJRWTSMGSA-N 1 3 366.506 0.223 20 0 FCADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCCNCC1 ZINC000397644509 490166363 /nfs/dbraw/zinc/16/63/63/490166363.db2.gz UNHBAXVEMXPXRA-UHFFFAOYSA-N 1 3 358.486 0.837 20 0 FCADHO C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)CN1CCN(C)CC1 ZINC000466130778 490168720 /nfs/dbraw/zinc/16/87/20/490168720.db2.gz JBZHZGSLGLTKPC-ROUUACIJSA-N 1 3 369.554 0.262 20 0 FCADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608410 490169458 /nfs/dbraw/zinc/16/94/58/490169458.db2.gz XZZAEKKVRASREZ-UXHICEINSA-N 1 3 359.470 0.196 20 0 FCADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608410 490169463 /nfs/dbraw/zinc/16/94/63/490169463.db2.gz XZZAEKKVRASREZ-UXHICEINSA-N 1 3 359.470 0.196 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571401122 491305024 /nfs/dbraw/zinc/30/50/24/491305024.db2.gz PYNVTMUBRWYQIF-WMZOPIPTSA-N 1 3 362.522 0.811 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000497685980 490194590 /nfs/dbraw/zinc/19/45/90/490194590.db2.gz FHTMSHLWDOHLDV-IKGGRYGDSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000497685980 490194596 /nfs/dbraw/zinc/19/45/96/490194596.db2.gz FHTMSHLWDOHLDV-IKGGRYGDSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)CCNC(=O)C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507422524 490220258 /nfs/dbraw/zinc/22/02/58/490220258.db2.gz IFIGJUUNUCGNIU-UHFFFAOYSA-N 1 3 367.494 0.097 20 0 FCADHO CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[NH+](C)C)cc1 ZINC000521272698 490244671 /nfs/dbraw/zinc/24/46/71/490244671.db2.gz FGGVEGOPALKRSV-KURKYZTESA-N 1 3 373.501 0.805 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)[C@@H]3CCCO3)CC2)CC1 ZINC000447983764 490306533 /nfs/dbraw/zinc/30/65/33/490306533.db2.gz UCBXXOFLZLPPPL-SJORKVTESA-N 1 3 354.495 0.384 20 0 FCADHO C[NH+]1CCC(C)(CNC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000508422899 490328931 /nfs/dbraw/zinc/32/89/31/490328931.db2.gz KYPMEOKPFRQJQL-UHFFFAOYSA-N 1 3 369.554 0.408 20 0 FCADHO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000534272092 490339230 /nfs/dbraw/zinc/33/92/30/490339230.db2.gz QRYOXUGBRZHFTM-OAHLLOKOSA-N 1 3 354.495 0.108 20 0 FCADHO CCc1ccccc1[C@H](N)CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000564729018 491323122 /nfs/dbraw/zinc/32/31/22/491323122.db2.gz WEODXARAKMCJCN-OAHLLOKOSA-N 1 3 353.488 0.532 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000422488598 490354292 /nfs/dbraw/zinc/35/42/92/490354292.db2.gz KLJPAZMQVBZIRT-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000422488598 490354299 /nfs/dbraw/zinc/35/42/99/490354299.db2.gz KLJPAZMQVBZIRT-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522443410 490379838 /nfs/dbraw/zinc/37/98/38/490379838.db2.gz DUGOFBKWCHSLCS-IKGGRYGDSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000522443410 490379844 /nfs/dbraw/zinc/37/98/44/490379844.db2.gz DUGOFBKWCHSLCS-IKGGRYGDSA-N 1 3 365.522 0.855 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000468342647 490391508 /nfs/dbraw/zinc/39/15/08/490391508.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342647 490391513 /nfs/dbraw/zinc/39/15/13/490391513.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342647 490391517 /nfs/dbraw/zinc/39/15/17/490391517.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC)CC(=O)C[C@@H]1C ZINC000468342647 490391522 /nfs/dbraw/zinc/39/15/22/490391522.db2.gz UPPCRGMVOBWUJN-UAGQMJEPSA-N 1 3 368.522 0.354 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N(C)C ZINC000411143877 490395546 /nfs/dbraw/zinc/39/55/46/490395546.db2.gz NWQVWABXQYEXII-LBPRGKRZSA-N 1 3 354.426 0.771 20 0 FCADHO C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1CC(C)(C)O ZINC000548032946 490410131 /nfs/dbraw/zinc/41/01/31/490410131.db2.gz LQWMPSNMXRRRNB-KRWDZBQOSA-N 1 3 369.554 0.501 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449706650 490425106 /nfs/dbraw/zinc/42/51/06/490425106.db2.gz OAGCWESUNYXMEX-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000509723998 490458271 /nfs/dbraw/zinc/45/82/71/490458271.db2.gz IAPKWZSUXSRJKO-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396509 490528093 /nfs/dbraw/zinc/52/80/93/490528093.db2.gz LYCRWIWBRLHUNO-IAGOWNOFSA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000485396509 490528098 /nfs/dbraw/zinc/52/80/98/490528098.db2.gz LYCRWIWBRLHUNO-IAGOWNOFSA-N 1 3 367.538 0.912 20 0 FCADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000485482531 490533350 /nfs/dbraw/zinc/53/33/50/490533350.db2.gz SVAGQBYMDFHTAH-SJORKVTESA-N 1 3 366.506 0.081 20 0 FCADHO COC[C@@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000564908665 491335595 /nfs/dbraw/zinc/33/55/95/491335595.db2.gz ZQMPSRJYXKWXDT-LJQANCHMSA-N 1 3 362.474 0.220 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635905 490628322 /nfs/dbraw/zinc/62/83/22/490628322.db2.gz GVRXVVFZFNJFMG-IAGOWNOFSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635905 490628331 /nfs/dbraw/zinc/62/83/31/490628331.db2.gz GVRXVVFZFNJFMG-IAGOWNOFSA-N 1 3 366.506 0.156 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501645077 490630001 /nfs/dbraw/zinc/63/00/01/490630001.db2.gz YZLZEDZACPHMRR-INIZCTEOSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021035 490638470 /nfs/dbraw/zinc/63/84/70/490638470.db2.gz ZGFFZBRHHJBCNT-JKSUJKDBSA-N 1 3 367.538 0.057 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000525826552 490639545 /nfs/dbraw/zinc/63/95/45/490639545.db2.gz JJTBLAUZSJLKNC-OAHLLOKOSA-N 1 3 374.489 0.182 20 0 FCADHO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848918 490646986 /nfs/dbraw/zinc/64/69/86/490646986.db2.gz HQSOZRSZAOARAS-RTBURBONSA-N 1 3 357.539 0.748 20 0 FCADHO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848918 490646988 /nfs/dbraw/zinc/64/69/88/490646988.db2.gz HQSOZRSZAOARAS-RTBURBONSA-N 1 3 357.539 0.748 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N(C)C1CC1 ZINC000572037385 491344653 /nfs/dbraw/zinc/34/46/53/491344653.db2.gz GKGWKVMRQGGEIQ-KBRIMQKVSA-N 1 3 366.506 0.079 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N(C)C1CC1 ZINC000572037384 491344743 /nfs/dbraw/zinc/34/47/43/491344743.db2.gz GKGWKVMRQGGEIQ-COXVUDFISA-N 1 3 366.506 0.079 20 0 FCADHO CCOc1ncccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526132239 490678282 /nfs/dbraw/zinc/67/82/82/490678282.db2.gz WSXMXHZYJCJICT-UHFFFAOYSA-N 1 3 351.451 0.371 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C[C@@H](C)O1 ZINC000565032787 491346876 /nfs/dbraw/zinc/34/68/76/491346876.db2.gz QIXLDNVOOUTCLP-HUUCEWRRSA-N 1 3 352.483 0.636 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(CC)CC ZINC000565039961 491347863 /nfs/dbraw/zinc/34/78/63/491347863.db2.gz HHPDLBNNCHSSMN-GVDBMIGSSA-N 1 3 365.522 0.854 20 0 FCADHO CN1CCN(CCCNC(=O)C2([NH3+])CCOCC2)[C@@H](c2ccccc2)C1 ZINC000512956541 490704973 /nfs/dbraw/zinc/70/49/73/490704973.db2.gz ZCPZJPNDQTYBRO-GOSISDBHSA-N 1 3 360.502 0.989 20 0 FCADHO CSc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000527374266 490720700 /nfs/dbraw/zinc/72/07/00/490720700.db2.gz BSWJAOIVYCDKTD-UHFFFAOYSA-N 1 3 353.492 0.694 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478349 490733328 /nfs/dbraw/zinc/73/33/28/490733328.db2.gz XEVMISRSMLQDIE-CVEARBPZSA-N 1 3 370.538 0.696 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503422482 490755495 /nfs/dbraw/zinc/75/54/95/490755495.db2.gz DLXLOCQSOOXXHJ-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000514737538 490785981 /nfs/dbraw/zinc/78/59/81/490785981.db2.gz XMTOXVMIHLYSOR-BBWFWOEESA-N 1 3 359.474 0.113 20 0 FCADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000514798273 490789137 /nfs/dbraw/zinc/78/91/37/490789137.db2.gz ILYZSJCTTYOMMS-LAVFITLUSA-N 1 3 371.485 0.775 20 0 FCADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000514798273 490789139 /nfs/dbraw/zinc/78/91/39/490789139.db2.gz ILYZSJCTTYOMMS-LAVFITLUSA-N 1 3 371.485 0.775 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CN(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H](C)O1 ZINC000540322860 490817366 /nfs/dbraw/zinc/81/73/66/490817366.db2.gz ZLDHBDILOZTPKJ-ZHALLVOQSA-N 1 3 356.555 0.414 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@@H](C)O1 ZINC000540322860 490817368 /nfs/dbraw/zinc/81/73/68/490817368.db2.gz ZLDHBDILOZTPKJ-ZHALLVOQSA-N 1 3 356.555 0.414 20 0 FCADHO CC[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000515381346 490823155 /nfs/dbraw/zinc/82/31/55/490823155.db2.gz IFKKEPPTHFKQQI-QZTJIDSGSA-N 1 3 358.486 0.808 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000528728551 490823298 /nfs/dbraw/zinc/82/32/98/490823298.db2.gz CHMYETTXLVMSMW-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000528728551 490823300 /nfs/dbraw/zinc/82/33/00/490823300.db2.gz CHMYETTXLVMSMW-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000540573659 490828837 /nfs/dbraw/zinc/82/88/37/490828837.db2.gz ZFONMPPYVTZEAW-INIZCTEOSA-N 1 3 351.495 0.490 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000540573659 490828841 /nfs/dbraw/zinc/82/88/41/490828841.db2.gz ZFONMPPYVTZEAW-INIZCTEOSA-N 1 3 351.495 0.490 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000515523597 490830468 /nfs/dbraw/zinc/83/04/68/490830468.db2.gz IXLRNVFRLWTRRE-BRWVUGGUSA-N 1 3 363.506 0.324 20 0 FCADHO CC(C)[C@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303548 490848625 /nfs/dbraw/zinc/84/86/25/490848625.db2.gz OIJXUOCYKPVZQM-JKSUJKDBSA-N 1 3 353.511 0.569 20 0 FCADHO CC(C)[C@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000529303548 490848627 /nfs/dbraw/zinc/84/86/27/490848627.db2.gz OIJXUOCYKPVZQM-JKSUJKDBSA-N 1 3 353.511 0.569 20 0 FCADHO O=C(C[C@@H]1CSCCN1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000516177681 490854764 /nfs/dbraw/zinc/85/47/64/490854764.db2.gz WWFKQKXCWQLXNK-RRFJBIMHSA-N 1 3 354.520 0.188 20 0 FCADHO O=C(C[C@H]1COCCN1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000516650383 490872855 /nfs/dbraw/zinc/87/28/55/490872855.db2.gz USWVHRTVDOOZFI-INIZCTEOSA-N 1 3 361.490 0.961 20 0 FCADHO Cc1cc(Cl)cnc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000516696344 490875363 /nfs/dbraw/zinc/87/53/63/490875363.db2.gz BYONLYCIJQPMEL-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000517059593 490893410 /nfs/dbraw/zinc/89/34/10/490893410.db2.gz WGLOTFUUSCVPOQ-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)CC1 ZINC000565204467 491360208 /nfs/dbraw/zinc/36/02/08/491360208.db2.gz OCIDKVUCIQAMCD-QZTJIDSGSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000517567067 490912529 /nfs/dbraw/zinc/91/25/29/490912529.db2.gz YWMVRPSAOXEJTF-HNNXBMFYSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000517567067 490912531 /nfs/dbraw/zinc/91/25/31/490912531.db2.gz YWMVRPSAOXEJTF-HNNXBMFYSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000517968738 490926821 /nfs/dbraw/zinc/92/68/21/490926821.db2.gz HNQQAXJXCMKZLD-CEXWTWQISA-N 1 3 372.513 0.971 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000517968738 490926822 /nfs/dbraw/zinc/92/68/22/490926822.db2.gz HNQQAXJXCMKZLD-CEXWTWQISA-N 1 3 372.513 0.971 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCN(C)CCCOC)CC1 ZINC000565255802 491366268 /nfs/dbraw/zinc/36/62/68/491366268.db2.gz VAABUSPCNOJZDU-UHFFFAOYSA-N 1 3 371.526 0.245 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000565256392 491366445 /nfs/dbraw/zinc/36/64/45/491366445.db2.gz ZJURSNJBKHCQBO-PMPSAXMXSA-N 1 3 365.522 0.840 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000565256392 491366447 /nfs/dbraw/zinc/36/64/47/491366447.db2.gz ZJURSNJBKHCQBO-PMPSAXMXSA-N 1 3 365.522 0.840 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)cc2)CC1 ZINC000519604118 490978903 /nfs/dbraw/zinc/97/89/03/490978903.db2.gz ZGTVRJIEDQUUGH-UHFFFAOYSA-N 1 3 371.489 0.304 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000544784872 490981432 /nfs/dbraw/zinc/98/14/32/490981432.db2.gz IYLUNVLFWCMSOX-GOSISDBHSA-N 1 3 352.523 0.367 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000519754343 490988166 /nfs/dbraw/zinc/98/81/66/490988166.db2.gz NLAGDQOBFBOSJO-HNNXBMFYSA-N 1 3 358.486 0.399 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000532394038 490992217 /nfs/dbraw/zinc/99/22/17/490992217.db2.gz QNVHJZFFJUBWNI-UHFFFAOYSA-N 1 3 362.522 0.553 20 0 FCADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)COC1CCOCC1 ZINC000569568171 491168874 /nfs/dbraw/zinc/16/88/74/491168874.db2.gz GLLHXLMYRMUNMC-BHIYHBOVSA-N 1 3 356.507 0.900 20 0 FCADHO O[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)COC1CCOCC1 ZINC000569568171 491168875 /nfs/dbraw/zinc/16/88/75/491168875.db2.gz GLLHXLMYRMUNMC-BHIYHBOVSA-N 1 3 356.507 0.900 20 0 FCADHO COC[C@]1(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCC[NH2+]1 ZINC000572467124 491371915 /nfs/dbraw/zinc/37/19/15/491371915.db2.gz HWQVEDBEARSSNF-MAUKXSAKSA-N 1 3 354.495 0.650 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372205 491372780 /nfs/dbraw/zinc/37/27/80/491372780.db2.gz JADKKFSOYBGPCR-HZPDHXFCSA-N 1 3 351.495 0.596 20 0 FCADHO CC(C)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCS1 ZINC000572605963 491380928 /nfs/dbraw/zinc/38/09/28/491380928.db2.gz USQGCLYWXVKSNJ-OAHLLOKOSA-N 1 3 358.552 0.538 20 0 FCADHO CC1CCN(C[C@H](O)CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000565655678 491391535 /nfs/dbraw/zinc/39/15/35/491391535.db2.gz VYGORHQPBQUWTK-HZPDHXFCSA-N 1 3 363.506 0.710 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCCO1 ZINC000557744012 491396061 /nfs/dbraw/zinc/39/60/61/491396061.db2.gz YCUGSWGQFITSOK-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCCO1 ZINC000557744012 491396062 /nfs/dbraw/zinc/39/60/62/491396062.db2.gz YCUGSWGQFITSOK-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565845410 491403174 /nfs/dbraw/zinc/40/31/74/491403174.db2.gz YPRGFACOUGSYAK-PMPSAXMXSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565845410 491403176 /nfs/dbraw/zinc/40/31/76/491403176.db2.gz YPRGFACOUGSYAK-PMPSAXMXSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565845407 491403221 /nfs/dbraw/zinc/40/32/21/491403221.db2.gz YPRGFACOUGSYAK-BZUAXINKSA-N 1 3 351.495 0.594 20 0 FCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565845407 491403224 /nfs/dbraw/zinc/40/32/24/491403224.db2.gz YPRGFACOUGSYAK-BZUAXINKSA-N 1 3 351.495 0.594 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000558134537 491415965 /nfs/dbraw/zinc/41/59/65/491415965.db2.gz DSMUKWTWJXIZJE-QGZVFWFLSA-N 1 3 368.522 0.593 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1F ZINC000573187664 491417948 /nfs/dbraw/zinc/41/79/48/491417948.db2.gz BMNXCRBWUYESOV-CYBMUJFWSA-N 1 3 366.437 0.902 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000566296934 491433656 /nfs/dbraw/zinc/43/36/56/491433656.db2.gz AACINJNCNQMGGG-QGZVFWFLSA-N 1 3 362.522 0.352 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000573547201 491439917 /nfs/dbraw/zinc/43/99/17/491439917.db2.gz XQPIDOOFYBBIFC-LZQZEXGQSA-N 1 3 372.513 0.874 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](COC)C(=O)OC)CC2)CC1 ZINC000566449020 491444602 /nfs/dbraw/zinc/44/46/02/491444602.db2.gz OTQYILHGRAFVOM-INIZCTEOSA-N 1 3 355.479 0.487 20 0 FCADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310683 491464153 /nfs/dbraw/zinc/46/41/53/491464153.db2.gz CJCBORPNSQJFED-HXUWFJFHSA-N 1 3 372.517 0.933 20 0 FCADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)N3CCN(c4ncccn4)CC3)C2)C1 ZINC000559310683 491464154 /nfs/dbraw/zinc/46/41/54/491464154.db2.gz CJCBORPNSQJFED-HXUWFJFHSA-N 1 3 372.517 0.933 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000559416726 491471055 /nfs/dbraw/zinc/47/10/55/491471055.db2.gz SPKGIHPSBVGYAP-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000559412747 491471064 /nfs/dbraw/zinc/47/10/64/491471064.db2.gz UOSOYOSZMYQXMP-ZWKOTPCHSA-N 1 3 360.502 0.828 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000559454427 491474864 /nfs/dbraw/zinc/47/48/64/491474864.db2.gz UNLRCFMQPNVIRM-QGZVFWFLSA-N 1 3 362.474 0.153 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@H](O)Cn3cccn3)c2)C1 ZINC000574150754 491477391 /nfs/dbraw/zinc/47/73/91/491477391.db2.gz GAPROAOESGNZDY-MOPGFXCFSA-N 1 3 371.485 0.731 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@H](O)Cn3cccn3)c2)C1 ZINC000574150754 491477394 /nfs/dbraw/zinc/47/73/94/491477394.db2.gz GAPROAOESGNZDY-MOPGFXCFSA-N 1 3 371.485 0.731 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000574167816 491478571 /nfs/dbraw/zinc/47/85/71/491478571.db2.gz UWMNPFUAAKREGN-ZJPYXAASSA-N 1 3 351.539 0.947 20 0 FCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567062556 491483697 /nfs/dbraw/zinc/48/36/97/491483697.db2.gz ANNWHVVVOIUAOY-QZTJIDSGSA-N 1 3 373.501 0.980 20 0 FCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567062556 491483700 /nfs/dbraw/zinc/48/37/00/491483700.db2.gz ANNWHVVVOIUAOY-QZTJIDSGSA-N 1 3 373.501 0.980 20 0 FCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000574308189 491487968 /nfs/dbraw/zinc/48/79/68/491487968.db2.gz QPJSVKDGVDQJMR-QGZVFWFLSA-N 1 3 367.538 0.058 20 0 FCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000574308189 491487969 /nfs/dbraw/zinc/48/79/69/491487969.db2.gz QPJSVKDGVDQJMR-QGZVFWFLSA-N 1 3 367.538 0.058 20 0 FCADHO CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCCC1 ZINC000567250581 491494848 /nfs/dbraw/zinc/49/48/48/491494848.db2.gz PKGMCOFXFBMHMS-ZACQAIPSSA-N 1 3 365.522 0.840 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000567368990 491502754 /nfs/dbraw/zinc/50/27/54/491502754.db2.gz NSUWCMXVHCPQQS-FZKCQIBNSA-N 1 3 365.522 0.696 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000567368990 491502755 /nfs/dbraw/zinc/50/27/55/491502755.db2.gz NSUWCMXVHCPQQS-FZKCQIBNSA-N 1 3 365.522 0.696 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000574589171 491507240 /nfs/dbraw/zinc/50/72/40/491507240.db2.gz IONKEFBBCDPOKS-KRWDZBQOSA-N 1 3 368.522 0.404 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000567498385 491510080 /nfs/dbraw/zinc/51/00/80/491510080.db2.gz UGHRHJARISUXJQ-GOSISDBHSA-N 1 3 373.501 0.944 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000560027499 491516624 /nfs/dbraw/zinc/51/66/24/491516624.db2.gz HLSVQNJPDSFNIF-BRWVUGGUSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC(C)CC1 ZINC000560027499 491516626 /nfs/dbraw/zinc/51/66/26/491516626.db2.gz HLSVQNJPDSFNIF-BRWVUGGUSA-N 1 3 350.507 0.966 20 0 FCADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574808873 491521468 /nfs/dbraw/zinc/52/14/68/491521468.db2.gz ICBIZVMLDKRAHW-MOPGFXCFSA-N 1 3 357.502 0.800 20 0 FCADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574808875 491521512 /nfs/dbraw/zinc/52/15/12/491521512.db2.gz ICBIZVMLDKRAHW-OALUTQOASA-N 1 3 357.502 0.800 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NCC(C)(C)N2CCN(C)CC2)CCCO1 ZINC000683373595 493347990 /nfs/dbraw/zinc/34/79/90/493347990.db2.gz FPGFZRSRIDSXJG-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)N2CCN(C)CC2)CCCO1 ZINC000683373595 493347993 /nfs/dbraw/zinc/34/79/93/493347993.db2.gz FPGFZRSRIDSXJG-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000568287737 491566951 /nfs/dbraw/zinc/56/69/51/491566951.db2.gz IABVNEVCSSTKSI-YESZJQIVSA-N 1 3 359.474 0.763 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288174 491566987 /nfs/dbraw/zinc/56/69/87/491566987.db2.gz WDONRKPTRPVHHZ-LAVFITLUSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288174 491566988 /nfs/dbraw/zinc/56/69/88/491566988.db2.gz WDONRKPTRPVHHZ-LAVFITLUSA-N 1 3 371.485 0.603 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000561321604 491597283 /nfs/dbraw/zinc/59/72/83/491597283.db2.gz KEVDWWYAQSJFSL-HNNXBMFYSA-N 1 3 356.511 0.448 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)C[C@@H](C)O1 ZINC000576330390 491605042 /nfs/dbraw/zinc/60/50/42/491605042.db2.gz MZGIZAUERARXOX-JFIYKMOQSA-N 1 3 367.538 0.421 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@@H]21 ZINC000576338368 491606273 /nfs/dbraw/zinc/60/62/73/491606273.db2.gz GSMTVQGVPXWHRG-HCXYKTFWSA-N 1 3 370.497 0.882 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](N)C3)CC[C@@H]21 ZINC000576338368 491606276 /nfs/dbraw/zinc/60/62/76/491606276.db2.gz GSMTVQGVPXWHRG-HCXYKTFWSA-N 1 3 370.497 0.882 20 0 FCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000568802306 491610865 /nfs/dbraw/zinc/61/08/65/491610865.db2.gz LODBNMMAIKMHIM-LSDHHAIUSA-N 1 3 350.507 0.942 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](C3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000568857697 491614128 /nfs/dbraw/zinc/61/41/28/491614128.db2.gz MBNPZZQRODGNHU-QKLQHJQFSA-N 1 3 368.566 0.605 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCCO1 ZINC000561674746 491624295 /nfs/dbraw/zinc/62/42/95/491624295.db2.gz GFNOLQPMJIVIOP-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCCO1 ZINC000561674746 491624299 /nfs/dbraw/zinc/62/42/99/491624299.db2.gz GFNOLQPMJIVIOP-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000576563686 491624927 /nfs/dbraw/zinc/62/49/27/491624927.db2.gz WQSDTONPXICSRR-UHFFFAOYSA-N 1 3 369.554 0.129 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000577554957 491631909 /nfs/dbraw/zinc/63/19/09/491631909.db2.gz NSMQUCCHWVKXKV-HZPDHXFCSA-N 1 3 366.506 0.370 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000577554957 491631913 /nfs/dbraw/zinc/63/19/13/491631913.db2.gz NSMQUCCHWVKXKV-HZPDHXFCSA-N 1 3 366.506 0.370 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000577574816 491633164 /nfs/dbraw/zinc/63/31/64/491633164.db2.gz BUTPQWYMHHKJOW-INIZCTEOSA-N 1 3 356.511 0.849 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000577672586 491641771 /nfs/dbraw/zinc/64/17/71/491641771.db2.gz XQKPTHMNPIOANN-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000577672586 491641772 /nfs/dbraw/zinc/64/17/72/491641772.db2.gz XQKPTHMNPIOANN-IRXDYDNUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCN1C ZINC000561997897 491644874 /nfs/dbraw/zinc/64/48/74/491644874.db2.gz XROVUMXUPSVTTI-PVAVHDDUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCN1C ZINC000561997897 491644876 /nfs/dbraw/zinc/64/48/76/491644876.db2.gz XROVUMXUPSVTTI-PVAVHDDUSA-N 1 3 350.507 0.776 20 0 FCADHO CC1CCN(C[C@H](O)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000577748516 491648679 /nfs/dbraw/zinc/64/86/79/491648679.db2.gz CIUNRHJECCQXPI-OAHLLOKOSA-N 1 3 350.467 0.025 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000576855611 491651311 /nfs/dbraw/zinc/65/13/11/491651311.db2.gz ITDGAASJDCZVIZ-MRXNPFEDSA-N 1 3 365.478 0.542 20 0 FCADHO CN(C)Cc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000562138193 491654299 /nfs/dbraw/zinc/65/42/99/491654299.db2.gz HVPQWDQZEZXBLH-UHFFFAOYSA-N 1 3 358.446 1.084 20 0 FCADHO CN(CCOCC[N@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000576886626 491654577 /nfs/dbraw/zinc/65/45/77/491654577.db2.gz ZLSHKHGDALONDQ-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CN(CCOCC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCC(=O)N(C)C1 ZINC000576886626 491654578 /nfs/dbraw/zinc/65/45/78/491654578.db2.gz ZLSHKHGDALONDQ-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000577955750 491665603 /nfs/dbraw/zinc/66/56/03/491665603.db2.gz GREGELHLQLWFTJ-WMZOPIPTSA-N 1 3 352.523 0.805 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000577955748 491665670 /nfs/dbraw/zinc/66/56/70/491665670.db2.gz GREGELHLQLWFTJ-FUHWJXTLSA-N 1 3 352.523 0.805 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251755 491673338 /nfs/dbraw/zinc/67/33/38/491673338.db2.gz ODUYYNJZTRMZRL-HZPDHXFCSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251755 491673339 /nfs/dbraw/zinc/67/33/39/491673339.db2.gz ODUYYNJZTRMZRL-HZPDHXFCSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000578745401 491683309 /nfs/dbraw/zinc/68/33/09/491683309.db2.gz RZPZTIYCQWZCKE-AEFFLSMTSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000578905134 491686873 /nfs/dbraw/zinc/68/68/73/491686873.db2.gz RSVCAYZIFAAELC-GDBMZVCRSA-N 1 3 355.527 0.815 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000579392502 491697183 /nfs/dbraw/zinc/69/71/83/491697183.db2.gz CSLMTZQDJMBMTO-DLBZAZTESA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000579392502 491697184 /nfs/dbraw/zinc/69/71/84/491697184.db2.gz CSLMTZQDJMBMTO-DLBZAZTESA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H](NC(=O)COC1CCC([NH3+])CC1)C(=O)NCCN1CCCCC1 ZINC000579589878 491701038 /nfs/dbraw/zinc/70/10/38/491701038.db2.gz VBKKXAUGKQBSGU-QQFBHYJXSA-N 1 3 354.495 0.380 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000579822496 491706043 /nfs/dbraw/zinc/70/60/43/491706043.db2.gz WHEFFQVPKIIPLP-KURKYZTESA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301674 491724815 /nfs/dbraw/zinc/72/48/15/491724815.db2.gz HBLRNPNANDPXDN-JKSUJKDBSA-N 1 3 366.506 0.012 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)NCC(F)F)CC2)CC1 ZINC000580464068 491732244 /nfs/dbraw/zinc/73/22/44/491732244.db2.gz IHHJFMPPAFOSOW-UHFFFAOYSA-N 1 3 360.449 0.680 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000580704798 491742141 /nfs/dbraw/zinc/74/21/41/491742141.db2.gz LRPWMONXUGXIPX-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO COC1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCC(C)CC1 ZINC000580766955 491744862 /nfs/dbraw/zinc/74/48/62/491744862.db2.gz VAXVFMDQUSTVBU-UHFFFAOYSA-N 1 3 370.538 0.650 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)CC1 ZINC000580989061 491754610 /nfs/dbraw/zinc/75/46/10/491754610.db2.gz UIDZANIYXDCYSM-SJORKVTESA-N 1 3 354.495 0.384 20 0 FCADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](N)CC(=O)OC)CC1 ZINC000581248789 491765718 /nfs/dbraw/zinc/76/57/18/491765718.db2.gz ONZOJDQOKXDZFF-KRWDZBQOSA-N 1 3 362.474 0.331 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581777609 491785973 /nfs/dbraw/zinc/78/59/73/491785973.db2.gz BTZGBINDOIHUBF-HZPDHXFCSA-N 1 3 367.538 0.105 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000581777609 491785974 /nfs/dbraw/zinc/78/59/74/491785974.db2.gz BTZGBINDOIHUBF-HZPDHXFCSA-N 1 3 367.538 0.105 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)C2)nn1 ZINC000581883472 491788925 /nfs/dbraw/zinc/78/89/25/491788925.db2.gz IPWRIHHVIBJAJO-GOSISDBHSA-N 1 3 354.458 0.902 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585251 493364251 /nfs/dbraw/zinc/36/42/51/493364251.db2.gz PHEFXHWJJNDHDP-DLBZAZTESA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585251 493364256 /nfs/dbraw/zinc/36/42/56/493364256.db2.gz PHEFXHWJJNDHDP-DLBZAZTESA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CN1C1CC1 ZINC000582434709 491812415 /nfs/dbraw/zinc/81/24/15/491812415.db2.gz HSUXFYHEJKINGR-IIYDPXPESA-N 1 3 354.520 0.281 20 0 FCADHO CCOC1CC2(C1)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000582831567 491828276 /nfs/dbraw/zinc/82/82/76/491828276.db2.gz ZXUQPRDQNCWTRZ-UHFFFAOYSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000583555161 491847414 /nfs/dbraw/zinc/84/74/14/491847414.db2.gz GKSAIMJQXRCMJN-XGUBFFRZSA-N 1 3 352.479 0.301 20 0 FCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000583555161 491847415 /nfs/dbraw/zinc/84/74/15/491847415.db2.gz GKSAIMJQXRCMJN-XGUBFFRZSA-N 1 3 352.479 0.301 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881724 491870744 /nfs/dbraw/zinc/87/07/44/491870744.db2.gz GWKYYCKEALDNJF-YESZJQIVSA-N 1 3 357.458 0.064 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881724 491870746 /nfs/dbraw/zinc/87/07/46/491870746.db2.gz GWKYYCKEALDNJF-YESZJQIVSA-N 1 3 357.458 0.064 20 0 FCADHO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916029 491958676 /nfs/dbraw/zinc/95/86/76/491958676.db2.gz UXJDOBCNPZDJEW-GJZGRUSLSA-N 1 3 361.494 0.460 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)NCCN1CCCCCC1 ZINC000612982423 491960756 /nfs/dbraw/zinc/96/07/56/491960756.db2.gz JENMOSNNMGKEEA-OAHLLOKOSA-N 1 3 351.495 0.420 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCCN(C[C@H]3CCCO3)CC2)CC1 ZINC000613422714 491981052 /nfs/dbraw/zinc/98/10/52/491981052.db2.gz JEGVIHOYJMBJDK-GOSISDBHSA-N 1 3 352.523 0.774 20 0 FCADHO Cc1nnc2n1C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000596313705 491983945 /nfs/dbraw/zinc/98/39/45/491983945.db2.gz VJNWPMTZFWMQFB-GOEBONIOSA-N 1 3 365.526 0.720 20 0 FCADHO Cc1nnc2n1C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000596313705 491983947 /nfs/dbraw/zinc/98/39/47/491983947.db2.gz VJNWPMTZFWMQFB-GOEBONIOSA-N 1 3 365.526 0.720 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506296 491990415 /nfs/dbraw/zinc/99/04/15/491990415.db2.gz NDSSUZXSMODVMA-UXHICEINSA-N 1 3 373.545 0.684 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506296 491990417 /nfs/dbraw/zinc/99/04/17/491990417.db2.gz NDSSUZXSMODVMA-UXHICEINSA-N 1 3 373.545 0.684 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000597216215 492022866 /nfs/dbraw/zinc/02/28/66/492022866.db2.gz YCKWBKYTNGSWCA-SJORKVTESA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000597216215 492022868 /nfs/dbraw/zinc/02/28/68/492022868.db2.gz YCKWBKYTNGSWCA-SJORKVTESA-N 1 3 365.522 0.855 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604194187 492053916 /nfs/dbraw/zinc/05/39/16/492053916.db2.gz FSOYBPMISDDBDC-IAGOWNOFSA-N 1 3 366.554 0.090 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604194187 492053918 /nfs/dbraw/zinc/05/39/18/492053918.db2.gz FSOYBPMISDDBDC-IAGOWNOFSA-N 1 3 366.554 0.090 20 0 FCADHO C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604194187 492053919 /nfs/dbraw/zinc/05/39/19/492053919.db2.gz FSOYBPMISDDBDC-IAGOWNOFSA-N 1 3 366.554 0.090 20 0 FCADHO CCCN1CC[C@H](NC(=O)CSCC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000598344088 492095504 /nfs/dbraw/zinc/09/55/04/492095504.db2.gz ZTFVCIWLHVPTKP-HOTGVXAUSA-N 1 3 370.563 0.921 20 0 FCADHO CCCN1CC[C@H](NC(=O)CSCC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000598344088 492095506 /nfs/dbraw/zinc/09/55/06/492095506.db2.gz ZTFVCIWLHVPTKP-HOTGVXAUSA-N 1 3 370.563 0.921 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608764689 492191940 /nfs/dbraw/zinc/19/19/40/492191940.db2.gz CGVWBOIWULUFCB-OAQYLSRUSA-N 1 3 374.529 0.719 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608764689 492191943 /nfs/dbraw/zinc/19/19/43/492191943.db2.gz CGVWBOIWULUFCB-OAQYLSRUSA-N 1 3 374.529 0.719 20 0 FCADHO CCCN1CC[C@@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000619898622 492282238 /nfs/dbraw/zinc/28/22/38/492282238.db2.gz LQAPVJQPAINWKW-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCCN1CC[C@@H](NC(=O)COCC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000619898622 492282239 /nfs/dbraw/zinc/28/22/39/492282239.db2.gz LQAPVJQPAINWKW-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000642102261 492334797 /nfs/dbraw/zinc/33/47/97/492334797.db2.gz XPQLMPGITKJSAP-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000642253932 492345986 /nfs/dbraw/zinc/34/59/86/492345986.db2.gz RGYFVILNFDCELN-QZTJIDSGSA-N 1 3 374.485 0.119 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000642253932 492345989 /nfs/dbraw/zinc/34/59/89/492345989.db2.gz RGYFVILNFDCELN-QZTJIDSGSA-N 1 3 374.485 0.119 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCO1 ZINC000642262600 492347164 /nfs/dbraw/zinc/34/71/64/492347164.db2.gz KABAKNQXPFIGGC-YQQAZPJKSA-N 1 3 362.474 0.198 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382777 492356209 /nfs/dbraw/zinc/35/62/09/492356209.db2.gz RJXBFLRYUNJJAZ-XJKSGUPXSA-N 1 3 350.463 0.658 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642495871 492360287 /nfs/dbraw/zinc/36/02/87/492360287.db2.gz ZCHUBKAVBNGFDG-BPQIPLTHSA-N 1 3 358.486 0.834 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)NC[C@@H](C)[NH3+])CC2)cc1 ZINC000642540611 492362610 /nfs/dbraw/zinc/36/26/10/492362610.db2.gz KGLQXQKCYBMMEV-CQSZACIVSA-N 1 3 362.474 0.487 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000642685666 492372345 /nfs/dbraw/zinc/37/23/45/492372345.db2.gz YFGSYDFQZCCCQL-INIZCTEOSA-N 1 3 362.474 0.502 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975858 492388761 /nfs/dbraw/zinc/38/87/61/492388761.db2.gz GXWNFOMBLPUSIA-IRXDYDNUSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976677 492390412 /nfs/dbraw/zinc/39/04/12/492390412.db2.gz RVZAHGCPERDCCS-HYVNUMGLSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642787238 492391519 /nfs/dbraw/zinc/39/15/19/492391519.db2.gz YNOJHJYCPJBMAW-WMZOPIPTSA-N 1 3 371.485 0.625 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000642785806 492391822 /nfs/dbraw/zinc/39/18/22/492391822.db2.gz LZLCTXSKOAVNPG-KURKYZTESA-N 1 3 362.518 0.968 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncc(N(C)C)c1 ZINC000635123494 492396400 /nfs/dbraw/zinc/39/64/00/492396400.db2.gz UGWOBCQRYCDUCU-UHFFFAOYSA-N 1 3 350.467 0.038 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000642902138 492399362 /nfs/dbraw/zinc/39/93/62/492399362.db2.gz LCFKLKGPOQSBTC-QZTJIDSGSA-N 1 3 358.486 0.835 20 0 FCADHO N[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000642921661 492404518 /nfs/dbraw/zinc/40/45/18/492404518.db2.gz FWWCFUZLVXDXIR-QGZVFWFLSA-N 1 3 353.426 0.546 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924109 492404840 /nfs/dbraw/zinc/40/48/40/492404840.db2.gz LDKMSKBTQVCAPF-SJLPKXTDSA-N 1 3 356.470 0.588 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924109 492404843 /nfs/dbraw/zinc/40/48/43/492404843.db2.gz LDKMSKBTQVCAPF-SJLPKXTDSA-N 1 3 356.470 0.588 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621838590 492421633 /nfs/dbraw/zinc/42/16/33/492421633.db2.gz GGSYZFBOOLFZQD-ZHEXZJMTSA-N 1 3 350.507 0.809 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621841383 492422974 /nfs/dbraw/zinc/42/29/74/492422974.db2.gz UYZISIRUPUGUCQ-JXFKEZNVSA-N 1 3 374.485 0.583 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621840364 492423172 /nfs/dbraw/zinc/42/31/72/492423172.db2.gz HSGXAZJLCSWICN-JXFKEZNVSA-N 1 3 374.485 0.583 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)Cc2ccccc2C1 ZINC000621843273 492424653 /nfs/dbraw/zinc/42/46/53/492424653.db2.gz BRVRCPBGAXHRLV-UWJYYQICSA-N 1 3 370.497 0.542 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)o1 ZINC000622026228 492442583 /nfs/dbraw/zinc/44/25/83/492442583.db2.gz HDBFEPSVICHBLK-BEFAXECRSA-N 1 3 362.474 0.818 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030449 492445017 /nfs/dbraw/zinc/44/50/17/492445017.db2.gz WLSOUNYUPQHWIY-QAPCUYQASA-N 1 3 364.515 0.978 20 0 FCADHO CN1CCN(C[C@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512574 492462868 /nfs/dbraw/zinc/46/28/68/492462868.db2.gz OAHIQUKEALONEW-ZWKOTPCHSA-N 1 3 350.507 0.478 20 0 FCADHO CN1CCN(C[C@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512574 492462870 /nfs/dbraw/zinc/46/28/70/492462870.db2.gz OAHIQUKEALONEW-ZWKOTPCHSA-N 1 3 350.507 0.478 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643502452 492483930 /nfs/dbraw/zinc/48/39/30/492483930.db2.gz GXCOAETUBQHTKE-IAGOWNOFSA-N 1 3 350.507 0.779 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000643505654 492484727 /nfs/dbraw/zinc/48/47/27/492484727.db2.gz OGRBNRBNVUWYHP-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643511161 492485729 /nfs/dbraw/zinc/48/57/29/492485729.db2.gz GGJIDQKZMATBKV-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000643531797 492491457 /nfs/dbraw/zinc/49/14/57/492491457.db2.gz LRCARXOKQHFKJE-CGTJXYLNSA-N 1 3 374.485 0.294 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643544153 492495140 /nfs/dbraw/zinc/49/51/40/492495140.db2.gz RMAZXDWZFGIZIB-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643567605 492500045 /nfs/dbraw/zinc/50/00/45/492500045.db2.gz XOJUIBXNLIDIDM-ROUUACIJSA-N 1 3 358.486 0.930 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000643593364 492503002 /nfs/dbraw/zinc/50/30/02/492503002.db2.gz QYEBMIRXCDDVJN-IBGZPJMESA-N 1 3 350.507 0.779 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028443 492521073 /nfs/dbraw/zinc/52/10/73/492521073.db2.gz LFCMMPJSRIRRIM-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000649330216 492535031 /nfs/dbraw/zinc/53/50/31/492535031.db2.gz DUXSPIDDOYKGNC-UHFFFAOYSA-N 1 3 358.486 0.542 20 0 FCADHO CN(C)C1(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)Cc2ccccc2C1 ZINC000649338948 492539022 /nfs/dbraw/zinc/53/90/22/492539022.db2.gz PWISCORQKIGWTR-INIZCTEOSA-N 1 3 354.458 0.642 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1=O ZINC000649363565 492548459 /nfs/dbraw/zinc/54/84/59/492548459.db2.gz GEZDOWYMCOXEEI-BRWVUGGUSA-N 1 3 350.507 0.635 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656150502 492557467 /nfs/dbraw/zinc/55/74/67/492557467.db2.gz VYATUOBEXIBVCH-OWCLPIDISA-N 1 3 351.495 0.765 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656150502 492557468 /nfs/dbraw/zinc/55/74/68/492557468.db2.gz VYATUOBEXIBVCH-OWCLPIDISA-N 1 3 351.495 0.765 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000656308166 492582519 /nfs/dbraw/zinc/58/25/19/492582519.db2.gz YNGQIGUAEZGKKD-USXIJHARSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629802777 492680759 /nfs/dbraw/zinc/68/07/59/492680759.db2.gz PTGXWFZTNUQZAW-YPMHNXCESA-N 1 3 364.412 0.525 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629809279 492683041 /nfs/dbraw/zinc/68/30/41/492683041.db2.gz PBQAURXEOAWDKP-RWMBFGLXSA-N 1 3 364.412 0.525 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644444324 492756160 /nfs/dbraw/zinc/75/61/60/492756160.db2.gz VZMQCVXVYBXWFR-ZNMIVQPWSA-N 1 3 350.467 0.554 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644444324 492756163 /nfs/dbraw/zinc/75/61/63/492756163.db2.gz VZMQCVXVYBXWFR-ZNMIVQPWSA-N 1 3 350.467 0.554 20 0 FCADHO CN1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1(C)C ZINC000644497334 492773390 /nfs/dbraw/zinc/77/33/90/492773390.db2.gz DMAFSKNANRULLF-ZACQAIPSSA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1(C)C ZINC000644497334 492773395 /nfs/dbraw/zinc/77/33/95/492773395.db2.gz DMAFSKNANRULLF-ZACQAIPSSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNCc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000644610930 492790913 /nfs/dbraw/zinc/79/09/13/492790913.db2.gz AEFGFURJCAYXJY-JFIYKMOQSA-N 1 3 366.506 0.582 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870130 492806485 /nfs/dbraw/zinc/80/64/85/492806485.db2.gz BFHRAUIHJYQDKI-MRXNPFEDSA-N 1 3 359.474 0.719 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000657870157 492806629 /nfs/dbraw/zinc/80/66/29/492806629.db2.gz DXFWTCHAISJBSO-SJLPKXTDSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000657870157 492806632 /nfs/dbraw/zinc/80/66/32/492806632.db2.gz DXFWTCHAISJBSO-SJLPKXTDSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873548 492807700 /nfs/dbraw/zinc/80/77/00/492807700.db2.gz KIZAPDSKVMZZBA-IBGZPJMESA-N 1 3 357.458 0.284 20 0 FCADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)C2)C1 ZINC000657873548 492807705 /nfs/dbraw/zinc/80/77/05/492807705.db2.gz KIZAPDSKVMZZBA-IBGZPJMESA-N 1 3 357.458 0.284 20 0 FCADHO C[C@H](CNS(=O)(=O)CCCN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000631813576 492857893 /nfs/dbraw/zinc/85/78/93/492857893.db2.gz WHZATCYWRDIYHH-QGZVFWFLSA-N 1 3 360.568 0.664 20 0 FCADHO C[C@@H]1CCCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H]1CCC[NH3+] ZINC000631829627 492859061 /nfs/dbraw/zinc/85/90/61/492859061.db2.gz WKDPDCUERCVQOX-GDBMZVCRSA-N 1 3 374.551 0.366 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652130905 492884950 /nfs/dbraw/zinc/88/49/50/492884950.db2.gz FHKZAIAXNVVLOC-ULQDDVLXSA-N 1 3 356.511 0.883 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000631950147 492895912 /nfs/dbraw/zinc/89/59/12/492895912.db2.gz AJSSGTBBPRRDLK-IAGOWNOFSA-N 1 3 370.494 0.789 20 0 FCADHO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CCN ZINC000652355151 492914062 /nfs/dbraw/zinc/91/40/62/492914062.db2.gz QEAGJTZFWFBZAV-SJORKVTESA-N 1 3 360.506 0.965 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CCN ZINC000652355151 492914064 /nfs/dbraw/zinc/91/40/64/492914064.db2.gz QEAGJTZFWFBZAV-SJORKVTESA-N 1 3 360.506 0.965 20 0 FCADHO C[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1CC[NH3+] ZINC000652355151 492914068 /nfs/dbraw/zinc/91/40/68/492914068.db2.gz QEAGJTZFWFBZAV-SJORKVTESA-N 1 3 360.506 0.965 20 0 FCADHO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CCN ZINC000652355148 492914234 /nfs/dbraw/zinc/91/42/34/492914234.db2.gz QEAGJTZFWFBZAV-DLBZAZTESA-N 1 3 360.506 0.965 20 0 FCADHO C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CCN ZINC000652355148 492914239 /nfs/dbraw/zinc/91/42/39/492914239.db2.gz QEAGJTZFWFBZAV-DLBZAZTESA-N 1 3 360.506 0.965 20 0 FCADHO C[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1CC[NH3+] ZINC000652355148 492914243 /nfs/dbraw/zinc/91/42/43/492914243.db2.gz QEAGJTZFWFBZAV-DLBZAZTESA-N 1 3 360.506 0.965 20 0 FCADHO C[C@H](CNC(=O)[C@H](N)[C@H](C)OCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000638137398 492915720 /nfs/dbraw/zinc/91/57/20/492915720.db2.gz JVMONMHDSFLRNI-ZIFCJYIRSA-N 1 3 362.518 0.919 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000652380217 492920152 /nfs/dbraw/zinc/92/01/52/492920152.db2.gz JQCUOWMHEBQWJW-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO CN(C)CCn1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000638221467 492924101 /nfs/dbraw/zinc/92/41/01/492924101.db2.gz XAKZSHKQDZHOIW-ZDUSSCGKSA-N 1 3 362.400 0.011 20 0 FCADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CCCN1CCCC1 ZINC000632129303 492936280 /nfs/dbraw/zinc/93/62/80/492936280.db2.gz HJRKDDIRWFJMBB-ZACQAIPSSA-N 1 3 359.536 0.986 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439460 492947027 /nfs/dbraw/zinc/94/70/27/492947027.db2.gz IDUAOJHSWQMBPF-JKSUJKDBSA-N 1 3 360.506 0.867 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439460 492947031 /nfs/dbraw/zinc/94/70/31/492947031.db2.gz IDUAOJHSWQMBPF-JKSUJKDBSA-N 1 3 360.506 0.867 20 0 FCADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626221473 492948047 /nfs/dbraw/zinc/94/80/47/492948047.db2.gz YTLIFVOFDQCBME-QGZVFWFLSA-N 1 3 361.490 0.935 20 0 FCADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000626221473 492948052 /nfs/dbraw/zinc/94/80/52/492948052.db2.gz YTLIFVOFDQCBME-QGZVFWFLSA-N 1 3 361.490 0.935 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638481734 492954395 /nfs/dbraw/zinc/95/43/95/492954395.db2.gz NEIATALEPPBQGW-QGZVFWFLSA-N 1 3 354.539 0.754 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cn1 ZINC000652623462 492972157 /nfs/dbraw/zinc/97/21/57/492972157.db2.gz JBIWFQKZBMJKFW-UHFFFAOYSA-N 1 3 372.473 0.761 20 0 FCADHO [NH3+]CCOCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000645817328 492977747 /nfs/dbraw/zinc/97/77/47/492977747.db2.gz HKPINEVIHJFUHX-KRWDZBQOSA-N 1 3 361.490 0.418 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000652679752 492987534 /nfs/dbraw/zinc/98/75/34/492987534.db2.gz MQEHJIHPBCSPIB-ARFHVFGLSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000652679755 492987608 /nfs/dbraw/zinc/98/76/08/492987608.db2.gz MQEHJIHPBCSPIB-XHSDSOJGSA-N 1 3 366.506 0.332 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652680926 492988242 /nfs/dbraw/zinc/98/82/42/492988242.db2.gz VIOPHWIOPUBSFK-ULQDDVLXSA-N 1 3 368.522 0.579 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652728367 493006574 /nfs/dbraw/zinc/00/65/74/493006574.db2.gz HOZLTBXFKOGGLL-GVDBMIGSSA-N 1 3 366.506 0.286 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652731004 493009534 /nfs/dbraw/zinc/00/95/34/493009534.db2.gz YWIMYFPCWXJXCT-ZMSDIMECSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000646214255 493028645 /nfs/dbraw/zinc/02/86/45/493028645.db2.gz PVUSLPAGGKLEKX-VYDXJSESSA-N 1 3 363.506 0.701 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646414142 493046143 /nfs/dbraw/zinc/04/61/43/493046143.db2.gz PSKHBYRWLOQBCS-UHFFFAOYSA-N 1 3 350.467 0.773 20 0 FCADHO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000626980308 493073751 /nfs/dbraw/zinc/07/37/51/493073751.db2.gz QNTRRZPSQBGULB-IRXDYDNUSA-N 1 3 353.511 0.032 20 0 FCADHO C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000653124598 493075158 /nfs/dbraw/zinc/07/51/58/493075158.db2.gz BMHDVXDKSDALQZ-LJQANCHMSA-N 1 3 361.534 0.590 20 0 FCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000658855218 493087009 /nfs/dbraw/zinc/08/70/09/493087009.db2.gz HKWUGAOWMCSIRY-LJQANCHMSA-N 1 3 372.513 0.782 20 0 FCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000658855218 493087013 /nfs/dbraw/zinc/08/70/13/493087013.db2.gz HKWUGAOWMCSIRY-LJQANCHMSA-N 1 3 372.513 0.782 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000633031409 493107266 /nfs/dbraw/zinc/10/72/66/493107266.db2.gz MEQCTTYYYQJLFK-CALCHBBNSA-N 1 3 371.485 0.730 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106578 493129012 /nfs/dbraw/zinc/12/90/12/493129012.db2.gz VLZPFKRIYFZZPZ-XHSDSOJGSA-N 1 3 354.495 0.155 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106578 493129015 /nfs/dbraw/zinc/12/90/15/493129015.db2.gz VLZPFKRIYFZZPZ-XHSDSOJGSA-N 1 3 354.495 0.155 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627318784 493150468 /nfs/dbraw/zinc/15/04/68/493150468.db2.gz AGLBDWDIYBLTRP-JQWIXIFHSA-N 1 3 350.385 0.183 20 0 FCADHO O=C(C[C@H]1CNCCO1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094155 493162498 /nfs/dbraw/zinc/16/24/98/493162498.db2.gz MCEUIPVERMXUHF-INIZCTEOSA-N 1 3 361.490 0.961 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000627342140 493163161 /nfs/dbraw/zinc/16/31/61/493163161.db2.gz XKFPOQHYCIMTKM-NEPJUHHUSA-N 1 3 364.412 0.573 20 0 FCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659442989 493177975 /nfs/dbraw/zinc/17/79/75/493177975.db2.gz UQRJLMDUBOIQHI-GFCCVEGCSA-N 1 3 350.467 0.951 20 0 FCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659442989 493177978 /nfs/dbraw/zinc/17/79/78/493177978.db2.gz UQRJLMDUBOIQHI-GFCCVEGCSA-N 1 3 350.467 0.951 20 0 FCADHO COCCN(C)CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000659286765 493183597 /nfs/dbraw/zinc/18/35/97/493183597.db2.gz DQMFTVLNYPMHBV-MRXNPFEDSA-N 1 3 360.462 0.676 20 0 FCADHO CN(CCC[NH3+])Cc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228451 493185863 /nfs/dbraw/zinc/18/58/63/493185863.db2.gz AEQGIMRAEBLVFR-IBGZPJMESA-N 1 3 358.490 0.696 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000659318437 493190376 /nfs/dbraw/zinc/19/03/76/493190376.db2.gz CIAAEKAWJNUVMQ-YLAKUSLOSA-N 1 3 362.518 0.609 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nn(C)c2ccccc12 ZINC000672548050 493202779 /nfs/dbraw/zinc/20/27/79/493202779.db2.gz KCHRUCJQHSYGOZ-UHFFFAOYSA-N 1 3 374.489 0.141 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000659549853 493211305 /nfs/dbraw/zinc/21/13/05/493211305.db2.gz NUUUTHVUHPBZTN-GOSISDBHSA-N 1 3 361.490 0.971 20 0 FCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000666796336 493228274 /nfs/dbraw/zinc/22/82/74/493228274.db2.gz YQWIVNNVFOWHNO-GOSISDBHSA-N 1 3 373.501 0.583 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000672695787 493234358 /nfs/dbraw/zinc/23/43/58/493234358.db2.gz HWZKCADPQCKZQN-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000672695787 493234360 /nfs/dbraw/zinc/23/43/60/493234360.db2.gz HWZKCADPQCKZQN-IRXDYDNUSA-N 1 3 368.522 0.594 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666974372 493242798 /nfs/dbraw/zinc/24/27/98/493242798.db2.gz OKNQNTDNCBMBJE-INIZCTEOSA-N 1 3 354.495 0.650 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666972582 493243459 /nfs/dbraw/zinc/24/34/59/493243459.db2.gz BHXGYGQCQAHVJC-QGZVFWFLSA-N 1 3 368.522 0.992 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000659687753 493253356 /nfs/dbraw/zinc/25/33/56/493253356.db2.gz ZYQHOKLGNOGLPJ-KGLIPLIRSA-N 1 3 352.504 0.800 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000659687755 493253386 /nfs/dbraw/zinc/25/33/86/493253386.db2.gz ZYQHOKLGNOGLPJ-ZIAGYGMSSA-N 1 3 352.504 0.800 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000682096288 493269460 /nfs/dbraw/zinc/26/94/60/493269460.db2.gz YXLFBTNLIHUZRB-UHFFFAOYSA-N 1 3 350.463 0.976 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCCO1 ZINC000659734732 493278627 /nfs/dbraw/zinc/27/86/27/493278627.db2.gz BRKQLNDRFUSVMR-GDBMZVCRSA-N 1 3 352.479 0.086 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000667402873 493283126 /nfs/dbraw/zinc/28/31/26/493283126.db2.gz OJBXONHUPBRNHV-CJNGLKHVSA-N 1 3 364.446 0.140 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000673268643 493309663 /nfs/dbraw/zinc/30/96/63/493309663.db2.gz JLPRWMCSZCNACY-GOSISDBHSA-N 1 3 373.501 0.967 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660055081 493319981 /nfs/dbraw/zinc/31/99/81/493319981.db2.gz CEAPBTJQLGOZRM-BRWVUGGUSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581694 493378080 /nfs/dbraw/zinc/37/80/80/493378080.db2.gz JNGRDNCYOGVQAZ-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000683982392 493384182 /nfs/dbraw/zinc/38/41/82/493384182.db2.gz ZWHZVBAEACAMPL-HNNXBMFYSA-N 1 3 351.495 0.513 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853370 493386900 /nfs/dbraw/zinc/38/69/00/493386900.db2.gz WPQRIXNIWSTPPT-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853370 493386902 /nfs/dbraw/zinc/38/69/02/493386902.db2.gz WPQRIXNIWSTPPT-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)N(C)C1CC1 ZINC000668796460 493412717 /nfs/dbraw/zinc/41/27/17/493412717.db2.gz VAZCLLINQFQTNS-CQSZACIVSA-N 1 3 350.507 0.824 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000669035297 493455753 /nfs/dbraw/zinc/45/57/53/493455753.db2.gz BYFRHXLSPGFRPK-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669143837 493467840 /nfs/dbraw/zinc/46/78/40/493467840.db2.gz FGHIDPDWJOZGBX-ZBFHGGJFSA-N 1 3 368.522 0.448 20 0 FCADHO CC(C)(C)n1nnc(CCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000662265553 493501276 /nfs/dbraw/zinc/50/12/76/493501276.db2.gz RALRFCZDYWCBQE-CABCVRRESA-N 1 3 363.510 0.551 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298021 493504955 /nfs/dbraw/zinc/50/49/55/493504955.db2.gz TVUFDKPNVMTXTQ-DJIMGWMZSA-N 1 3 350.507 0.810 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491032 493507695 /nfs/dbraw/zinc/50/76/95/493507695.db2.gz IZHFMLWNBKDIAV-HZPDHXFCSA-N 1 3 351.495 0.500 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000675995126 493516706 /nfs/dbraw/zinc/51/67/06/493516706.db2.gz NNUPQKFPAQIOLV-IRXDYDNUSA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000675995126 493516710 /nfs/dbraw/zinc/51/67/10/493516710.db2.gz NNUPQKFPAQIOLV-IRXDYDNUSA-N 1 3 363.506 0.419 20 0 FCADHO [NH3+]CCn1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)nn1 ZINC000662480569 493519407 /nfs/dbraw/zinc/51/94/07/493519407.db2.gz LMKZQXGBBPEWIW-UHFFFAOYSA-N 1 3 358.446 0.124 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637400 493529460 /nfs/dbraw/zinc/52/94/60/493529460.db2.gz HFWZKDRSLGRRHP-GOSISDBHSA-N 1 3 373.501 0.668 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662926040 493554485 /nfs/dbraw/zinc/55/44/85/493554485.db2.gz OIFBVPMXQVKUGX-KRWDZBQOSA-N 1 3 361.490 0.702 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662950529 493559830 /nfs/dbraw/zinc/55/98/30/493559830.db2.gz MRBNFLBHGRIRFM-BHIYHBOVSA-N 1 3 372.513 0.958 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000662954629 493560392 /nfs/dbraw/zinc/56/03/92/493560392.db2.gz XOCMORIGBBVTOU-OTWHNJEPSA-N 1 3 370.497 0.440 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1F ZINC000663609062 493603655 /nfs/dbraw/zinc/60/36/55/493603655.db2.gz QARUCWDLKGHFNF-QGZVFWFLSA-N 1 3 352.410 0.573 20 0 FCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790390 493617899 /nfs/dbraw/zinc/61/78/99/493617899.db2.gz ALORDRQCKKPINV-JKSUJKDBSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663790390 493617900 /nfs/dbraw/zinc/61/79/00/493617900.db2.gz ALORDRQCKKPINV-JKSUJKDBSA-N 1 3 355.527 0.768 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663825587 493619326 /nfs/dbraw/zinc/61/93/26/493619326.db2.gz LPOKMLQADAZLHR-KRWDZBQOSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663825587 493619328 /nfs/dbraw/zinc/61/93/28/493619328.db2.gz LPOKMLQADAZLHR-KRWDZBQOSA-N 1 3 354.495 0.338 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000670984969 493620383 /nfs/dbraw/zinc/62/03/83/493620383.db2.gz BHSIHPQBQQZPJD-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000670984969 493620384 /nfs/dbraw/zinc/62/03/84/493620384.db2.gz BHSIHPQBQQZPJD-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000671071571 493629263 /nfs/dbraw/zinc/62/92/63/493629263.db2.gz PRYLZPYSBGAQKK-WMLDXEAASA-N 1 3 356.536 0.529 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102355 493633622 /nfs/dbraw/zinc/63/36/22/493633622.db2.gz YIFMIPFIHPBZDA-IXDOHACOSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102355 493633625 /nfs/dbraw/zinc/63/36/25/493633625.db2.gz YIFMIPFIHPBZDA-IXDOHACOSA-N 1 3 366.506 0.347 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109919 493636280 /nfs/dbraw/zinc/63/62/80/493636280.db2.gz ZFFDTBJJHVVWJF-NVXWUHKLSA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109919 493636282 /nfs/dbraw/zinc/63/62/82/493636282.db2.gz ZFFDTBJJHVVWJF-NVXWUHKLSA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109918 493636595 /nfs/dbraw/zinc/63/65/95/493636595.db2.gz ZFFDTBJJHVVWJF-DOTOQJQBSA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671109918 493636598 /nfs/dbraw/zinc/63/65/98/493636598.db2.gz ZFFDTBJJHVVWJF-DOTOQJQBSA-N 1 3 357.458 0.473 20 0 FCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664177285 493641983 /nfs/dbraw/zinc/64/19/83/493641983.db2.gz CJAQACHLQYISPZ-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000664177285 493641984 /nfs/dbraw/zinc/64/19/84/493641984.db2.gz CJAQACHLQYISPZ-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000671375774 493661828 /nfs/dbraw/zinc/66/18/28/493661828.db2.gz OKWBWWGZLNUPLG-CQSZACIVSA-N 1 3 354.495 0.060 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000671881813 493710627 /nfs/dbraw/zinc/71/06/27/493710627.db2.gz UCNJHJGCVYXZQK-KRWDZBQOSA-N 1 3 373.501 0.967 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000671881813 493710628 /nfs/dbraw/zinc/71/06/28/493710628.db2.gz UCNJHJGCVYXZQK-KRWDZBQOSA-N 1 3 373.501 0.967 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671963547 493719717 /nfs/dbraw/zinc/71/97/17/493719717.db2.gz HUNHDWJZLLABBD-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671963547 493719719 /nfs/dbraw/zinc/71/97/19/493719719.db2.gz HUNHDWJZLLABBD-QGZVFWFLSA-N 1 3 367.538 0.073 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CC[NH+](C)CC1 ZINC000672014990 493725199 /nfs/dbraw/zinc/72/51/99/493725199.db2.gz PZLDGTFAAAVDEX-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672165605 493739355 /nfs/dbraw/zinc/73/93/55/493739355.db2.gz JWYIJTOYUDLFFW-QGZVFWFLSA-N 1 3 366.506 0.204 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304753 493751819 /nfs/dbraw/zinc/75/18/19/493751819.db2.gz JITJHQNYUDNULW-MSOLQXFVSA-N 1 3 362.518 0.777 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672304753 493751821 /nfs/dbraw/zinc/75/18/21/493751821.db2.gz JITJHQNYUDNULW-MSOLQXFVSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@H](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCCC1 ZINC000672310251 493753984 /nfs/dbraw/zinc/75/39/84/493753984.db2.gz LTKOOWFGVOWBKI-NVXWUHKLSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309456 493754163 /nfs/dbraw/zinc/75/41/63/493754163.db2.gz NOJRHVKMBJCFGA-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCO1 ZINC000672309456 493754165 /nfs/dbraw/zinc/75/41/65/493754165.db2.gz NOJRHVKMBJCFGA-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C ZINC000672311500 493755214 /nfs/dbraw/zinc/75/52/14/493755214.db2.gz FFSRBFHZZIQAGE-PVAVHDDUSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C ZINC000672311500 493755216 /nfs/dbraw/zinc/75/52/16/493755216.db2.gz FFSRBFHZZIQAGE-PVAVHDDUSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419965177 536449396 /nfs/dbraw/zinc/44/93/96/536449396.db2.gz GRLQTUPIKJGQJV-CQSZACIVSA-N 1 3 352.454 0.688 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000410430694 527730338 /nfs/dbraw/zinc/73/03/38/527730338.db2.gz FXJRPSDZYUOQRA-QGZVFWFLSA-N 1 3 368.522 0.545 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413347436 527970557 /nfs/dbraw/zinc/97/05/57/527970557.db2.gz YRBUZBPESFZKHU-UHFFFAOYSA-N 1 3 369.554 0.814 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413347436 527970562 /nfs/dbraw/zinc/97/05/62/527970562.db2.gz YRBUZBPESFZKHU-UHFFFAOYSA-N 1 3 369.554 0.814 20 0 FCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410694448 528739410 /nfs/dbraw/zinc/73/94/10/528739410.db2.gz CBQWGPVIZGYIEA-KRWDZBQOSA-N 1 3 369.554 0.127 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410889337 528891415 /nfs/dbraw/zinc/89/14/15/528891415.db2.gz YNFOFDFSRVIDCS-KRWDZBQOSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410889337 528891421 /nfs/dbraw/zinc/89/14/21/528891421.db2.gz YNFOFDFSRVIDCS-KRWDZBQOSA-N 1 3 352.523 0.975 20 0 FCADHO CC1(C)NC(=O)N(CCCN2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000436066444 534978880 /nfs/dbraw/zinc/97/88/80/534978880.db2.gz QWJAIHDRTRTBOO-ZDUSSCGKSA-N 1 3 353.467 0.026 20 0 FCADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000419231479 535193172 /nfs/dbraw/zinc/19/31/72/535193172.db2.gz RWVFHBXXKBSCOW-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)c2)CC1 ZINC000415361411 535749736 /nfs/dbraw/zinc/74/97/36/535749736.db2.gz NBDLYIYYRPPVCG-QGZVFWFLSA-N 1 3 373.501 0.977 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419804708 535857710 /nfs/dbraw/zinc/85/77/10/535857710.db2.gz OPKBLRXJNPKLHY-HNNXBMFYSA-N 1 3 354.495 0.333 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000419217782 535904035 /nfs/dbraw/zinc/90/40/35/535904035.db2.gz RBUWQQWLUOEFIR-UHFFFAOYSA-N 1 3 364.490 0.687 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000415274067 535905293 /nfs/dbraw/zinc/90/52/93/535905293.db2.gz SSNXLCBYXVXTOL-GFCCVEGCSA-N 1 3 352.410 0.654 20 0 FCADHO C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000418199283 535917709 /nfs/dbraw/zinc/91/77/09/535917709.db2.gz WVMDGDHUYHKMDW-CQSZACIVSA-N 1 3 357.405 0.818 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163115 536368145 /nfs/dbraw/zinc/36/81/45/536368145.db2.gz JCXHCLHCRXJLFC-QZTJIDSGSA-N 1 3 374.485 0.214 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000415313961 536370013 /nfs/dbraw/zinc/37/00/13/536370013.db2.gz FMJHTSJCIBPKSD-QGZVFWFLSA-N 1 3 373.501 0.976 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000423471847 536415915 /nfs/dbraw/zinc/41/59/15/536415915.db2.gz FLJXMOGYRWTTBP-INIZCTEOSA-N 1 3 362.474 0.406 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C1 ZINC000423464694 536415943 /nfs/dbraw/zinc/41/59/43/536415943.db2.gz GXOSYOMLBWCPNJ-KRWDZBQOSA-N 1 3 373.501 0.967 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419753027 536450235 /nfs/dbraw/zinc/45/02/35/536450235.db2.gz NEQOSSHBAVIGJW-OAHLLOKOSA-N 1 3 368.522 0.498 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419773583 536481677 /nfs/dbraw/zinc/48/16/77/536481677.db2.gz ZSDNZLLOEBSJGD-MSOLQXFVSA-N 1 3 358.486 0.881 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000419745405 536746140 /nfs/dbraw/zinc/74/61/40/536746140.db2.gz ACJASLYWYKBLPM-ZIAGYGMSSA-N 1 3 354.495 0.188 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419751269 536746924 /nfs/dbraw/zinc/74/69/24/536746924.db2.gz KEGWHMMGCZAJTI-UHFFFAOYSA-N 1 3 368.522 0.770 20 0 FCADHO COc1cc(C)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130528086 546533462 /nfs/dbraw/zinc/53/34/62/546533462.db2.gz SXGWELYENNBFRG-UHFFFAOYSA-N 1 3 350.463 0.894 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000550632462 547092285 /nfs/dbraw/zinc/09/22/85/547092285.db2.gz JMUJEKSZUAFZTP-QGZVFWFLSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000550632462 547092290 /nfs/dbraw/zinc/09/22/90/547092290.db2.gz JMUJEKSZUAFZTP-QGZVFWFLSA-N 1 3 352.523 0.929 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000550838747 547110303 /nfs/dbraw/zinc/11/03/03/547110303.db2.gz LIDDOHPAUZPPIS-SFHVURJKSA-N 1 3 370.563 0.778 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000553039091 547248475 /nfs/dbraw/zinc/24/84/75/547248475.db2.gz FYUAARCPHGREJX-CQSZACIVSA-N 1 3 354.495 0.155 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000553359648 547272130 /nfs/dbraw/zinc/27/21/30/547272130.db2.gz AVGCIQKASYZMBA-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000553359648 547272134 /nfs/dbraw/zinc/27/21/34/547272134.db2.gz AVGCIQKASYZMBA-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N(C)C1CC1 ZINC000553367728 547274232 /nfs/dbraw/zinc/27/42/32/547274232.db2.gz YQZVVPKWJPFWKI-GJZGRUSLSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N(C)C1CC1 ZINC000553367728 547274237 /nfs/dbraw/zinc/27/42/37/547274237.db2.gz YQZVVPKWJPFWKI-GJZGRUSLSA-N 1 3 354.495 0.202 20 0 FCADHO C[C@H]1CN(CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000553704967 547302170 /nfs/dbraw/zinc/30/21/70/547302170.db2.gz LAWKHBLRBIXGNF-KZGGZSBBSA-N 1 3 352.479 0.986 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882874 598530212 /nfs/dbraw/zinc/53/02/12/598530212.db2.gz USAOZUIWUSNSAN-ZIAGYGMSSA-N 1 3 359.482 0.815 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735882874 598530213 /nfs/dbraw/zinc/53/02/13/598530213.db2.gz USAOZUIWUSNSAN-ZIAGYGMSSA-N 1 3 359.482 0.815 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000953818561 674485078 /nfs/dbraw/zinc/48/50/78/674485078.db2.gz YGSOLIVBIPKBDO-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000953818561 674485079 /nfs/dbraw/zinc/48/50/79/674485079.db2.gz YGSOLIVBIPKBDO-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000956386704 674522581 /nfs/dbraw/zinc/52/25/81/674522581.db2.gz QYMBFRKMAWRVCV-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000956386704 674522583 /nfs/dbraw/zinc/52/25/83/674522583.db2.gz QYMBFRKMAWRVCV-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+](C)C1CCN(CC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000821583395 606427917 /nfs/dbraw/zinc/42/79/17/606427917.db2.gz UFWIAKSNGIEVSL-UHFFFAOYSA-N 1 3 369.477 0.630 20 0 FCADHO C[NH+](C)C1CCN(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000821583395 606427919 /nfs/dbraw/zinc/42/79/19/606427919.db2.gz UFWIAKSNGIEVSL-UHFFFAOYSA-N 1 3 369.477 0.630 20 0 FCADHO CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821351058 606635291 /nfs/dbraw/zinc/63/52/91/606635291.db2.gz JTTOTZVOPZIADO-QWHCGFSZSA-N 1 3 363.470 0.051 20 0 FCADHO CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821351058 606635292 /nfs/dbraw/zinc/63/52/92/606635292.db2.gz JTTOTZVOPZIADO-QWHCGFSZSA-N 1 3 363.470 0.051 20 0 FCADHO CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC001022022484 663389012 /nfs/dbraw/zinc/38/90/12/663389012.db2.gz WSGMQBMIKOCDCA-HZMVEIRTSA-N 1 3 352.523 0.972 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]1 ZINC000892096931 663475692 /nfs/dbraw/zinc/47/56/92/663475692.db2.gz KJSIXSDEASKMQC-GJZGRUSLSA-N 1 3 351.495 0.642 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21)N(C)C ZINC001022737521 663507448 /nfs/dbraw/zinc/50/74/48/663507448.db2.gz WSGMQBMIKOCDCA-NXOAAHMSSA-N 1 3 352.523 0.972 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)Cc1ccco1 ZINC000926413564 663514064 /nfs/dbraw/zinc/51/40/64/663514064.db2.gz HJRLZVMRYZIRHQ-OAHLLOKOSA-N 1 3 350.463 0.757 20 0 FCADHO C[C@H](NS(=O)(=O)N1CCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205250 663899942 /nfs/dbraw/zinc/89/99/42/663899942.db2.gz CRBJCXVNLLRYMB-RDJZCZTQSA-N 1 3 352.504 0.637 20 0 FCADHO C[C@H](NS(=O)(=O)N1CCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205250 663899944 /nfs/dbraw/zinc/89/99/44/663899944.db2.gz CRBJCXVNLLRYMB-RDJZCZTQSA-N 1 3 352.504 0.637 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892471635 663943974 /nfs/dbraw/zinc/94/39/74/663943974.db2.gz SMBARGWPUIGHOR-UHFFFAOYSA-N 1 3 351.495 0.548 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892820853 664146733 /nfs/dbraw/zinc/14/67/33/664146733.db2.gz WRONKVPUKAXYMP-VQHPVUNQSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892820853 664146736 /nfs/dbraw/zinc/14/67/36/664146736.db2.gz WRONKVPUKAXYMP-VQHPVUNQSA-N 1 3 352.479 0.090 20 0 FCADHO C[C@@H](NS(=O)(=O)N1CCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205247 664837581 /nfs/dbraw/zinc/83/75/81/664837581.db2.gz CRBJCXVNLLRYMB-NVXWUHKLSA-N 1 3 352.504 0.637 20 0 FCADHO C[C@@H](NS(=O)(=O)N1CCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205247 664837584 /nfs/dbraw/zinc/83/75/84/664837584.db2.gz CRBJCXVNLLRYMB-NVXWUHKLSA-N 1 3 352.504 0.637 20 0 FCADHO Cn1nc(Br)nc1CN[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894254959 664938214 /nfs/dbraw/zinc/93/82/14/664938214.db2.gz VPKBZMQKGSSQIY-LLVKDONJSA-N 1 3 357.300 0.836 20 0 FCADHO Cn1nc(Br)nc1CN[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894254959 664938216 /nfs/dbraw/zinc/93/82/16/664938216.db2.gz VPKBZMQKGSSQIY-LLVKDONJSA-N 1 3 357.300 0.836 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728450799 665146574 /nfs/dbraw/zinc/14/65/74/665146574.db2.gz HSTNJOVUWVAVRD-MRXNPFEDSA-N 1 3 367.563 0.585 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728450799 665146576 /nfs/dbraw/zinc/14/65/76/665146576.db2.gz HSTNJOVUWVAVRD-MRXNPFEDSA-N 1 3 367.563 0.585 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1CCCN1C ZINC000987954886 665271256 /nfs/dbraw/zinc/27/12/56/665271256.db2.gz XUTPBUCGFHZQHN-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000988099225 665275472 /nfs/dbraw/zinc/27/54/72/665275472.db2.gz ULPXHZXKOUMTFU-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000988099225 665275473 /nfs/dbraw/zinc/27/54/73/665275473.db2.gz ULPXHZXKOUMTFU-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000941217556 666593566 /nfs/dbraw/zinc/59/35/66/666593566.db2.gz IXGBRLFZACIIAB-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)CN3CCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000941217556 666593569 /nfs/dbraw/zinc/59/35/69/666593569.db2.gz IXGBRLFZACIIAB-GVDBMIGSSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC000944185098 666834247 /nfs/dbraw/zinc/83/42/47/666834247.db2.gz VJKDGLVHHIKPDK-YYIAUSFCSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC000944185098 666834250 /nfs/dbraw/zinc/83/42/50/666834250.db2.gz VJKDGLVHHIKPDK-YYIAUSFCSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCO[C@@H]1C(=O)N1CCC([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000997014262 667065519 /nfs/dbraw/zinc/06/55/19/667065519.db2.gz XPYGNRBXKHVXJI-HIFRSBDPSA-N 1 3 359.492 0.028 20 0 FCADHO C[C@@H]1CCO[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000997014166 667065571 /nfs/dbraw/zinc/06/55/71/667065571.db2.gz VHUMSUQJZJZPFZ-FMKPAKJESA-N 1 3 358.504 0.817 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000999199017 667230840 /nfs/dbraw/zinc/23/08/40/667230840.db2.gz FURSYPOHCBIKME-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000999199017 667230842 /nfs/dbraw/zinc/23/08/42/667230842.db2.gz FURSYPOHCBIKME-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CCN(CCO)CC1 ZINC001005409732 667740200 /nfs/dbraw/zinc/74/02/00/667740200.db2.gz LIFINCSTUNERRH-MSOLQXFVSA-N 1 3 353.507 0.648 20 0 FCADHO CNC(=O)[C@H](C)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186807 667775572 /nfs/dbraw/zinc/77/55/72/667775572.db2.gz JWQYJXVONRHDPY-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CNC(=O)[C@H](C)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186807 667775573 /nfs/dbraw/zinc/77/55/73/667775573.db2.gz JWQYJXVONRHDPY-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524799 668005143 /nfs/dbraw/zinc/00/51/43/668005143.db2.gz KVXXQEVTXJGNGB-GFCCVEGCSA-N 1 3 354.480 0.351 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnsn1 ZINC000839524799 668005146 /nfs/dbraw/zinc/00/51/46/668005146.db2.gz KVXXQEVTXJGNGB-GFCCVEGCSA-N 1 3 354.480 0.351 20 0 FCADHO CN(CCc1ccc(S(N)(=O)=O)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000774731878 668169052 /nfs/dbraw/zinc/16/90/52/668169052.db2.gz WGXSMGROSRXRDI-UHFFFAOYSA-N 1 3 368.547 0.834 20 0 FCADHO CN(CCc1ccc(S(N)(=O)=O)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000774731878 668169056 /nfs/dbraw/zinc/16/90/56/668169056.db2.gz WGXSMGROSRXRDI-UHFFFAOYSA-N 1 3 368.547 0.834 20 0 FCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1C1CCOCC1)C2=O ZINC000776772473 668292165 /nfs/dbraw/zinc/29/21/65/668292165.db2.gz OGLMROURBZAJCD-HNNXBMFYSA-N 1 3 350.463 0.851 20 0 FCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1C1CCOCC1)C2=O ZINC000776772474 668292190 /nfs/dbraw/zinc/29/21/90/668292190.db2.gz OGLMROURBZAJCD-OAHLLOKOSA-N 1 3 350.463 0.851 20 0 FCADHO COc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000784391483 668654632 /nfs/dbraw/zinc/65/46/32/668654632.db2.gz BDMVNJLWAHFKMD-UHFFFAOYSA-N 1 3 354.426 0.725 20 0 FCADHO N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000818340448 670097255 /nfs/dbraw/zinc/09/72/55/670097255.db2.gz MPDDSFXIWDKYDR-CHWSQXEVSA-N 1 3 351.451 0.522 20 0 FCADHO NC(=O)COc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069676 670534020 /nfs/dbraw/zinc/53/40/20/670534020.db2.gz CHWIWAPWWZDSRD-CQSZACIVSA-N 1 3 360.380 0.476 20 0 FCADHO NC(=O)COc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069674 670534275 /nfs/dbraw/zinc/53/42/75/670534275.db2.gz CHWIWAPWWZDSRD-AWEZNQCLSA-N 1 3 360.380 0.476 20 0 FCADHO [NH3+]C[C@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843346421 670802499 /nfs/dbraw/zinc/80/24/99/670802499.db2.gz GULDFBQOQWALKW-CYBMUJFWSA-N 1 3 351.451 0.333 20 0 FCADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521950 675938124 /nfs/dbraw/zinc/93/81/24/675938124.db2.gz JKSSPNXZNQRJNK-DEWZPKMOSA-N 1 3 350.507 0.918 20 0 FCADHO CCN1CC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420539 676071596 /nfs/dbraw/zinc/07/15/96/676071596.db2.gz KSDOQOLXVSYQME-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@H](N2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420539 676071597 /nfs/dbraw/zinc/07/15/97/676071597.db2.gz KSDOQOLXVSYQME-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001051625322 676106990 /nfs/dbraw/zinc/10/69/90/676106990.db2.gz YVXNLOPTPCAMOO-KBRIMQKVSA-N 1 3 350.438 0.878 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3cncc(F)c3)C2)CC[N@H+]1C ZINC001051625322 676106994 /nfs/dbraw/zinc/10/69/94/676106994.db2.gz YVXNLOPTPCAMOO-KBRIMQKVSA-N 1 3 350.438 0.878 20 0 FCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883225281 673369214 /nfs/dbraw/zinc/36/92/14/673369214.db2.gz CVYNMNHOKDAKCY-OAHLLOKOSA-N 1 3 353.511 0.842 20 0 FCADHO CC(C)[N@H+](C)CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883285530 673370529 /nfs/dbraw/zinc/37/05/29/673370529.db2.gz RVNGTNCLIFSCMM-UHFFFAOYSA-N 1 3 353.511 0.842 20 0 FCADHO CC(C)[N@@H+](C)CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883285530 673370532 /nfs/dbraw/zinc/37/05/32/673370532.db2.gz RVNGTNCLIFSCMM-UHFFFAOYSA-N 1 3 353.511 0.842 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)N1CCC(C)CC1 ZINC000884502180 673457691 /nfs/dbraw/zinc/45/76/91/673457691.db2.gz CNOIPAGEWFRNDJ-UONOGXRCSA-N 1 3 360.449 0.584 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)N1CCC(C)CC1 ZINC000884502181 673457728 /nfs/dbraw/zinc/45/77/28/673457728.db2.gz CNOIPAGEWFRNDJ-ZIAGYGMSSA-N 1 3 360.449 0.584 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000884576443 673463149 /nfs/dbraw/zinc/46/31/49/673463149.db2.gz HQECXTQQWFBQLS-STQMWFEESA-N 1 3 364.412 0.430 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612111 673465950 /nfs/dbraw/zinc/46/59/50/673465950.db2.gz DLQSUUHTXDMKSI-SUMWQHHRSA-N 1 3 356.536 0.434 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000884612109 673466022 /nfs/dbraw/zinc/46/60/22/673466022.db2.gz DLQSUUHTXDMKSI-DYVFJYSZSA-N 1 3 356.536 0.434 20 0 FCADHO CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[NH2+]C1 ZINC000884884400 673488522 /nfs/dbraw/zinc/48/85/22/673488522.db2.gz CESUTTCWMJEITR-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C)C1 ZINC000885015205 673498548 /nfs/dbraw/zinc/49/85/48/673498548.db2.gz VTFRLQBDAKGRGI-VIQHNZTISA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C)C1 ZINC000885276628 673511467 /nfs/dbraw/zinc/51/14/67/673511467.db2.gz SGVZWPXFNGRTCL-MGPQQGTHSA-N 1 3 360.449 0.584 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000929497840 673959465 /nfs/dbraw/zinc/95/94/65/673959465.db2.gz NDLCQALIONKPIH-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CNC(=O)N3CCCC3)CC2)CC1 ZINC000900446074 675682741 /nfs/dbraw/zinc/68/27/41/675682741.db2.gz MNNURPGCSNEKHK-UHFFFAOYSA-N 1 3 351.495 0.467 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000969509265 1167998139 /nfs/dbraw/zinc/99/81/39/1167998139.db2.gz WXEZIIGFXPFPNM-OWCLPIDISA-N 1 3 368.522 0.135 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751775 1169978922 /nfs/dbraw/zinc/97/89/22/1169978922.db2.gz KXJWLAMGDMILQE-BHYGNILZSA-N 1 3 357.458 0.353 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001104348872 1170205770 /nfs/dbraw/zinc/20/57/70/1170205770.db2.gz YVSGRUVGMKHTFI-BZUAXINKSA-N 1 3 366.506 0.550 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC001022038116 1170454447 /nfs/dbraw/zinc/45/44/47/1170454447.db2.gz IIMVEEKLCXBNTD-RYQLBKOJSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CCC1 ZINC001022038184 1170455623 /nfs/dbraw/zinc/45/56/23/1170455623.db2.gz JWWGFVFHRVKBOL-DLBZAZTESA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001022219327 1170768246 /nfs/dbraw/zinc/76/82/46/1170768246.db2.gz QTINZSFSRRLUJP-GVDBMIGSSA-N 1 3 360.502 0.482 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891673267 1170804518 /nfs/dbraw/zinc/80/45/18/1170804518.db2.gz JATOWBCBKSYGAE-JZYAIQKZSA-N 1 3 363.462 0.046 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001691251041 1170888863 /nfs/dbraw/zinc/88/88/63/1170888863.db2.gz JVENTOIYJPXSAG-BHYGNILZSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001691358731 1171202826 /nfs/dbraw/zinc/20/28/26/1171202826.db2.gz SBBOLKQZLFZMMV-IPYPFGDCSA-N 1 3 367.494 0.271 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547729 1192784693 /nfs/dbraw/zinc/78/46/93/1192784693.db2.gz FPLLRWIYWNBJJB-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547729 1192784699 /nfs/dbraw/zinc/78/46/99/1192784699.db2.gz FPLLRWIYWNBJJB-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000898005883 1192853712 /nfs/dbraw/zinc/85/37/12/1192853712.db2.gz KVDNNSFZTLMYMB-RVKKMQEKSA-N 1 3 371.485 0.718 20 0 FCADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573437 1192889090 /nfs/dbraw/zinc/88/90/90/1192889090.db2.gz TYTIHMZVCPQGAA-IKGGRYGDSA-N 1 3 364.534 0.975 20 0 FCADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]3C2)C1=O ZINC001691573437 1192889093 /nfs/dbraw/zinc/88/90/93/1192889093.db2.gz TYTIHMZVCPQGAA-IKGGRYGDSA-N 1 3 364.534 0.975 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495539 1181345904 /nfs/dbraw/zinc/34/59/04/1181345904.db2.gz QVZIWPCVKBBMNR-HOTGVXAUSA-N 1 3 365.522 0.713 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495540 1181346040 /nfs/dbraw/zinc/34/60/40/1181346040.db2.gz QVZIWPCVKBBMNR-HZPDHXFCSA-N 1 3 365.522 0.713 20 0 FCADHO CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690747 1182371356 /nfs/dbraw/zinc/37/13/56/1182371356.db2.gz JICOFFJGTYDMIB-ZACQAIPSSA-N 1 3 370.538 0.554 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1)N(C)C ZINC001104691740 1182371527 /nfs/dbraw/zinc/37/15/27/1182371527.db2.gz UGRDYTJYMXZKGI-NXHRZFHOSA-N 1 3 370.538 0.554 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892788110 1182506734 /nfs/dbraw/zinc/50/67/34/1182506734.db2.gz BJLDWOVTFOJBGF-ROUUACIJSA-N 1 3 373.501 0.730 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)CN4CCCC4)C[C@@H]32)C1 ZINC000975718955 1185641331 /nfs/dbraw/zinc/64/13/31/1185641331.db2.gz DLBITSVRYUJTGY-BZSNNMDCSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CCN(C(=O)CN4CCCC4)C[C@@H]32)C1 ZINC000975718955 1185641342 /nfs/dbraw/zinc/64/13/42/1185641342.db2.gz DLBITSVRYUJTGY-BZSNNMDCSA-N 1 3 362.518 0.873 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001112531523 1186230661 /nfs/dbraw/zinc/23/06/61/1186230661.db2.gz BEFDHBPAJIEHQK-BXWFABGCSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cnn(-c3ccccc3)c2)CC[N@@H+]1C ZINC001268309389 1186704139 /nfs/dbraw/zinc/70/41/39/1186704139.db2.gz WVQQZKPLSBWWEY-AYOQOUSVSA-N 1 3 371.485 0.779 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC001268309389 1186704143 /nfs/dbraw/zinc/70/41/43/1186704143.db2.gz WVQQZKPLSBWWEY-AYOQOUSVSA-N 1 3 371.485 0.779 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001028553208 1187604579 /nfs/dbraw/zinc/60/45/79/1187604579.db2.gz FLZBZODEXNPRKM-OWCLPIDISA-N 1 3 364.490 0.304 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001028553208 1187604582 /nfs/dbraw/zinc/60/45/82/1187604582.db2.gz FLZBZODEXNPRKM-OWCLPIDISA-N 1 3 364.490 0.304 20 0 FCADHO CC[NH+]1CCC(C(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)CC1 ZINC001270238009 1188059124 /nfs/dbraw/zinc/05/91/24/1188059124.db2.gz JFGKKEDRDPFHHA-QZTJIDSGSA-N 1 3 372.460 0.381 20 0 FCADHO C[C@H](C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)N1CCCC1 ZINC001270491750 1188172738 /nfs/dbraw/zinc/17/27/38/1188172738.db2.gz XLEWSCBUQMTSDG-BEFAXECRSA-N 1 3 364.490 0.400 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033759 1188213132 /nfs/dbraw/zinc/21/31/32/1188213132.db2.gz HLACFYDTXWFAIX-MJGOQNOKSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000550033759 1188213135 /nfs/dbraw/zinc/21/31/35/1188213135.db2.gz HLACFYDTXWFAIX-MJGOQNOKSA-N 1 3 372.513 0.876 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)Cc1ccccc1 ZINC000550412998 1188366288 /nfs/dbraw/zinc/36/62/88/1188366288.db2.gz PVUZWYLHTFTOSL-GOSISDBHSA-N 1 3 360.502 0.828 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000550412998 1188366291 /nfs/dbraw/zinc/36/62/91/1188366291.db2.gz PVUZWYLHTFTOSL-GOSISDBHSA-N 1 3 360.502 0.828 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCN1C(=O)CCC1=O ZINC001087578293 1189619857 /nfs/dbraw/zinc/61/98/57/1189619857.db2.gz MIYFAHRYKCRRNK-LVQVYYBASA-N 1 3 364.490 0.445 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCN1C(=O)CCC1=O ZINC001087578293 1189619876 /nfs/dbraw/zinc/61/98/76/1189619876.db2.gz MIYFAHRYKCRRNK-LVQVYYBASA-N 1 3 364.490 0.445 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CC[C@H](C)C1 ZINC000985164053 1190661662 /nfs/dbraw/zinc/66/16/62/1190661662.db2.gz JVFCOMYSIUKWLX-YESZJQIVSA-N 1 3 362.518 0.920 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC000986159158 1190910264 /nfs/dbraw/zinc/91/02/64/1190910264.db2.gz PJNKZCCGPNPWQO-RYRKJORJSA-N 1 3 371.485 0.601 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1)N(C)C ZINC000986320057 1190954578 /nfs/dbraw/zinc/95/45/78/1190954578.db2.gz AZATUFLLWCRYBR-FGTMMUONSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001691588966 1193755900 /nfs/dbraw/zinc/75/59/00/1193755900.db2.gz FDEREDGWNDFKGV-LXTVHRRPSA-N 1 3 363.462 0.828 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001691588966 1193755902 /nfs/dbraw/zinc/75/59/02/1193755902.db2.gz FDEREDGWNDFKGV-LXTVHRRPSA-N 1 3 363.462 0.828 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655367 1193859872 /nfs/dbraw/zinc/85/98/72/1193859872.db2.gz HUNCOJLYUYGYOD-ZTRFORPCSA-N 1 3 369.550 0.923 20 0 FCADHO Cn1ncc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])cnc21 ZINC001218616134 1224182521 /nfs/dbraw/zinc/18/25/21/1224182521.db2.gz ZLDSQDDETOEAIH-GJZGRUSLSA-N 1 3 373.461 0.354 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000553598339 1194008755 /nfs/dbraw/zinc/00/87/55/1194008755.db2.gz IGMKYDUGLFZNJO-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842230248 1194108924 /nfs/dbraw/zinc/10/89/24/1194108924.db2.gz WTPRYNMPPYDBDD-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO Nc1cn(C(=O)[C@@H]2COC3(CNC3)CN2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218711179 1224201941 /nfs/dbraw/zinc/20/19/41/1224201941.db2.gz UAQDYZAHBAFWJP-HNNXBMFYSA-N 1 3 357.389 0.326 20 0 FCADHO Nc1cn(C(=O)[C@H]2COC3(CNC3)CN2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218711182 1224202650 /nfs/dbraw/zinc/20/26/50/1224202650.db2.gz UAQDYZAHBAFWJP-OAHLLOKOSA-N 1 3 357.389 0.326 20 0 FCADHO Cn1nnc2cc(CN3C[C@@H]4CCN(C(=O)[C@H]5CC[N@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569455 1194575888 /nfs/dbraw/zinc/57/58/88/1194575888.db2.gz XSSNUQOEWMFNLV-TXPKVOOTSA-N 1 3 368.485 0.953 20 0 FCADHO Cn1nnc2cc(CN3C[C@@H]4CCN(C(=O)[C@H]5CC[N@@H+](C)C5)[C@@H]4C3)ccc21 ZINC001076569455 1194575894 /nfs/dbraw/zinc/57/58/94/1194575894.db2.gz XSSNUQOEWMFNLV-TXPKVOOTSA-N 1 3 368.485 0.953 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076605806 1194594003 /nfs/dbraw/zinc/59/40/03/1194594003.db2.gz ULIGJMAFMIQZEP-ARFHVFGLSA-N 1 3 362.474 0.200 20 0 FCADHO COC(=O)[C@H]1CN(C)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000910413208 1195814882 /nfs/dbraw/zinc/81/48/82/1195814882.db2.gz LEGAIDFEZBVTNP-CGZBRXJRSA-N 1 3 367.490 0.441 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)Cc1ccccc1 ZINC000910961198 1195869315 /nfs/dbraw/zinc/86/93/15/1195869315.db2.gz BDYLPYMGRKAHTB-ZWKOTPCHSA-N 1 3 360.502 0.924 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029227 1195880416 /nfs/dbraw/zinc/88/04/16/1195880416.db2.gz LSXOLJJJNYPLTC-LTCOOKNTSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029227 1195880421 /nfs/dbraw/zinc/88/04/21/1195880421.db2.gz LSXOLJJJNYPLTC-LTCOOKNTSA-N 1 3 358.486 0.964 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083655146 1196349722 /nfs/dbraw/zinc/34/97/22/1196349722.db2.gz ZAOLWDYTFYAULT-PBIMCDDKSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083655146 1196349728 /nfs/dbraw/zinc/34/97/28/1196349728.db2.gz ZAOLWDYTFYAULT-PBIMCDDKSA-N 1 3 363.502 0.591 20 0 FCADHO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000912723464 1196360737 /nfs/dbraw/zinc/36/07/37/1196360737.db2.gz HITPTLKHVSHGMQ-FQEVSTJZSA-N 1 3 373.545 0.412 20 0 FCADHO CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000912723464 1196360740 /nfs/dbraw/zinc/36/07/40/1196360740.db2.gz HITPTLKHVSHGMQ-FQEVSTJZSA-N 1 3 373.545 0.412 20 0 FCADHO Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)n1 ZINC001106249657 1197781436 /nfs/dbraw/zinc/78/14/36/1197781436.db2.gz MHIPUXSMAMCYFI-XWIAVFTESA-N 1 3 362.522 0.919 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](OC)CCN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503852 1224490579 /nfs/dbraw/zinc/49/05/79/1224490579.db2.gz OBGKAXNYVDCOSN-LLJZQGTPSA-N 1 3 374.441 0.584 20 0 FCADHO COc1c(O)cccc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219518447 1224494946 /nfs/dbraw/zinc/49/49/46/1224494946.db2.gz LCIKGCWZEYDKCI-JSGCOSHPSA-N 1 3 364.446 0.787 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219537752 1224502649 /nfs/dbraw/zinc/50/26/49/1224502649.db2.gz PRLGLPUWBLERFZ-WFGGJUAMSA-N 1 3 360.458 0.951 20 0 FCADHO CN1CCC(NC(=O)c2ccc(-n3cc4c(n3)CC[C@@H]([NH3+])C4)nn2)CC1 ZINC001168814996 1199035692 /nfs/dbraw/zinc/03/56/92/1199035692.db2.gz DNWXDNYNWDNFSZ-CYBMUJFWSA-N 1 3 355.446 0.302 20 0 FCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736388 1224584379 /nfs/dbraw/zinc/58/43/79/1224584379.db2.gz CDUJQKLXZSUXKY-JKSUJKDBSA-N 1 3 361.442 0.332 20 0 FCADHO N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809944 1224628540 /nfs/dbraw/zinc/62/85/40/1224628540.db2.gz XAOCGUJBCCJOMM-AWEZNQCLSA-N 1 3 358.398 0.397 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)nn1 ZINC001112563878 1200800397 /nfs/dbraw/zinc/80/03/97/1200800397.db2.gz RMMCJPXCUJMQCX-YJBOKZPZSA-N 1 3 364.494 0.112 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000786330042 1200834777 /nfs/dbraw/zinc/83/47/77/1200834777.db2.gz BCRWVKZLKLLAQR-SJORKVTESA-N 1 3 366.506 0.202 20 0 FCADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579115 1201024194 /nfs/dbraw/zinc/02/41/94/1201024194.db2.gz NATMDSFDNAMUOC-IPMKNSEASA-N 1 3 368.485 0.957 20 0 FCADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086579115 1201024206 /nfs/dbraw/zinc/02/42/06/1201024206.db2.gz NATMDSFDNAMUOC-IPMKNSEASA-N 1 3 368.485 0.957 20 0 FCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837758 1224647563 /nfs/dbraw/zinc/64/75/63/1224647563.db2.gz LQXDJKXNVRCAIT-CMKODMSKSA-N 1 3 361.486 0.848 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001219847922 1224652979 /nfs/dbraw/zinc/65/29/79/1224652979.db2.gz TXXKSFFXLSTXOG-WNRNVDISSA-N 1 3 357.454 0.972 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCCCC1 ZINC000793715094 1201254579 /nfs/dbraw/zinc/25/45/79/1201254579.db2.gz WPCHGJVPPWARKL-INIZCTEOSA-N 1 3 367.538 0.119 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CCCCC1 ZINC000793715094 1201254583 /nfs/dbraw/zinc/25/45/83/1201254583.db2.gz WPCHGJVPPWARKL-INIZCTEOSA-N 1 3 367.538 0.119 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433944 1201315597 /nfs/dbraw/zinc/31/55/97/1201315597.db2.gz ZQQIXMTYBIHDRE-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433944 1201315605 /nfs/dbraw/zinc/31/56/05/1201315605.db2.gz ZQQIXMTYBIHDRE-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910073 1201422474 /nfs/dbraw/zinc/42/24/74/1201422474.db2.gz BSQMAFWDCOTBFE-ZACQAIPSSA-N 1 3 366.510 0.777 20 0 FCADHO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894922 1201429769 /nfs/dbraw/zinc/42/97/69/1201429769.db2.gz YBDVNEUYYDPTOM-UAGQMJEPSA-N 1 3 364.494 0.265 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012082 1201471118 /nfs/dbraw/zinc/47/11/18/1201471118.db2.gz NPSAIZDJXRAMNX-XHSDSOJGSA-N 1 3 364.494 0.386 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075673 1201495280 /nfs/dbraw/zinc/49/52/80/1201495280.db2.gz ZSFKEYNUEXMZMF-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CCCCOCCN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075673 1201495282 /nfs/dbraw/zinc/49/52/82/1201495282.db2.gz ZSFKEYNUEXMZMF-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO Cc1cncn1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130222776 1201551791 /nfs/dbraw/zinc/55/17/91/1201551791.db2.gz FJENMIJHYZVTHG-KBPBESRZSA-N 1 3 361.450 0.497 20 0 FCADHO Cc1cncn1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130222776 1201551795 /nfs/dbraw/zinc/55/17/95/1201551795.db2.gz FJENMIJHYZVTHG-KBPBESRZSA-N 1 3 361.450 0.497 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@H](C)O)CC1 ZINC001130304968 1201581300 /nfs/dbraw/zinc/58/13/00/1201581300.db2.gz GZPHXOJJIAOIIG-GMBSWORKSA-N 1 3 368.522 0.184 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2nonc2c1 ZINC001219965581 1224704346 /nfs/dbraw/zinc/70/43/46/1224704346.db2.gz SOIQKLYEVSMGMX-BBRMVZONSA-N 1 3 374.445 0.286 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130590133 1202725854 /nfs/dbraw/zinc/72/58/54/1202725854.db2.gz ARQGLMIISHRVFH-JQHSSLGASA-N 1 3 363.506 0.559 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130610834 1202729946 /nfs/dbraw/zinc/72/99/46/1202729946.db2.gz SRCZNJJTWSMBEG-HLLBOEOZSA-N 1 3 363.506 0.823 20 0 FCADHO CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607720 1202733487 /nfs/dbraw/zinc/73/34/87/1202733487.db2.gz LWQGJXISTVXDNR-UWWQBHOKSA-N 1 3 363.506 0.823 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131003326 1202840742 /nfs/dbraw/zinc/84/07/42/1202840742.db2.gz DBFPFUABVWJVCQ-OWCLPIDISA-N 1 3 369.485 0.630 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1 ZINC001131003307 1202840754 /nfs/dbraw/zinc/84/07/54/1202840754.db2.gz CMRJABDFPAIYBH-BZUAXINKSA-N 1 3 369.485 0.366 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010335 1202844078 /nfs/dbraw/zinc/84/40/78/1202844078.db2.gz JJUBTLUOEJTHNW-DJIMGWMZSA-N 1 3 363.506 0.823 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001131115724 1202865051 /nfs/dbraw/zinc/86/50/51/1202865051.db2.gz WYYLDXJZFKMWOP-GVDBMIGSSA-N 1 3 365.522 0.807 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464339 1202900162 /nfs/dbraw/zinc/90/01/62/1202900162.db2.gz NCLVXPTXBZKXMA-RYRKJORJSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1)N(C)C ZINC001131519378 1202908389 /nfs/dbraw/zinc/90/83/89/1202908389.db2.gz NKWYGROQTNHENY-KURKYZTESA-N 1 3 371.522 0.321 20 0 FCADHO CN(C[C@H](O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809948438 1202938371 /nfs/dbraw/zinc/93/83/71/1202938371.db2.gz XAGUNAKFHJHLAS-QGZVFWFLSA-N 1 3 370.538 0.926 20 0 FCADHO CN(C[C@H](O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809948438 1202938373 /nfs/dbraw/zinc/93/83/73/1202938373.db2.gz XAGUNAKFHJHLAS-QGZVFWFLSA-N 1 3 370.538 0.926 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086694395 1202967300 /nfs/dbraw/zinc/96/73/00/1202967300.db2.gz PXCFYGAEMJESFC-GVDBMIGSSA-N 1 3 365.522 0.759 20 0 FCADHO CN(C1CN(C(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671508 1203324090 /nfs/dbraw/zinc/32/40/90/1203324090.db2.gz SJVMPROUMSZHGW-YTQUADARSA-N 1 3 359.470 0.553 20 0 FCADHO CN(C1CN(C(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671508 1203324094 /nfs/dbraw/zinc/32/40/94/1203324094.db2.gz SJVMPROUMSZHGW-YTQUADARSA-N 1 3 359.470 0.553 20 0 FCADHO CC(C)(O)[C@H](N)C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354216 1224840316 /nfs/dbraw/zinc/84/03/16/1224840316.db2.gz OXLAGCJZXCPTHJ-HRCADAONSA-N 1 3 363.458 0.660 20 0 FCADHO O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357332 1224842733 /nfs/dbraw/zinc/84/27/33/1224842733.db2.gz KJHBANJKHOPUMZ-QAETUUGQSA-N 1 3 361.442 0.285 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387277 1224854020 /nfs/dbraw/zinc/85/40/20/1224854020.db2.gz FWPHOILKWQDEKH-KURKYZTESA-N 1 3 371.522 0.465 20 0 FCADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087071962 1204960769 /nfs/dbraw/zinc/96/07/69/1204960769.db2.gz MBYOFDHSIFHMCB-OWCLPIDISA-N 1 3 366.506 0.202 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(C)n(C)n1 ZINC001087100733 1204996768 /nfs/dbraw/zinc/99/67/68/1204996768.db2.gz BBXBVEDFIZQHQA-JFIYKMOQSA-N 1 3 363.506 0.633 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(C)n(C)n1 ZINC001087100733 1204996774 /nfs/dbraw/zinc/99/67/74/1204996774.db2.gz BBXBVEDFIZQHQA-JFIYKMOQSA-N 1 3 363.506 0.633 20 0 FCADHO Cn1c(=O)cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)n(-c2ccccc2)c1=O ZINC001220415635 1224864318 /nfs/dbraw/zinc/86/43/18/1224864318.db2.gz QYPQJTYSCWHTIR-HNNXBMFYSA-N 1 3 373.457 0.534 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001220429544 1224869464 /nfs/dbraw/zinc/86/94/64/1224869464.db2.gz UMDJIKBYUPKYDA-MJQMVNBJSA-N 1 3 356.470 0.573 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001220429544 1224869466 /nfs/dbraw/zinc/86/94/66/1224869466.db2.gz UMDJIKBYUPKYDA-MJQMVNBJSA-N 1 3 356.470 0.573 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092145226 1205171172 /nfs/dbraw/zinc/17/11/72/1205171172.db2.gz ISMHCAXRDLRUKK-ALKREAHSSA-N 1 3 366.506 0.141 20 0 FCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854306 1205935860 /nfs/dbraw/zinc/93/58/60/1205935860.db2.gz FCWYZINHQSLTSB-BFYDXBDKSA-N 1 3 360.502 0.962 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056903 1206003527 /nfs/dbraw/zinc/00/35/27/1206003527.db2.gz VAYVALGFEUAGEB-OLMNPRSZSA-N 1 3 358.486 0.934 20 0 FCADHO C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195346 1206052433 /nfs/dbraw/zinc/05/24/33/1206052433.db2.gz NOHFJWDXPMVGIH-FHLIZLRMSA-N 1 3 358.486 0.921 20 0 FCADHO C[C@@H]1CN(Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195346 1206052437 /nfs/dbraw/zinc/05/24/37/1206052437.db2.gz NOHFJWDXPMVGIH-FHLIZLRMSA-N 1 3 358.486 0.921 20 0 FCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224897 1206062762 /nfs/dbraw/zinc/06/27/62/1206062762.db2.gz GAIFLPPVCPXJQX-KYJSFNMBSA-N 1 3 358.486 0.934 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](CNCc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817052 1206134672 /nfs/dbraw/zinc/13/46/72/1206134672.db2.gz YTJYKMDCPHLQQS-BRWVUGGUSA-N 1 3 362.522 0.977 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](CNCc3cn(C)nn3)[C@H](C)C2)C1 ZINC001093817052 1206134673 /nfs/dbraw/zinc/13/46/73/1206134673.db2.gz YTJYKMDCPHLQQS-BRWVUGGUSA-N 1 3 362.522 0.977 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)n1C ZINC001094042374 1206174242 /nfs/dbraw/zinc/17/42/42/1206174242.db2.gz STFDPXZXGAEFBG-ARFHVFGLSA-N 1 3 362.522 0.903 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)n1C ZINC001094042374 1206174245 /nfs/dbraw/zinc/17/42/45/1206174245.db2.gz STFDPXZXGAEFBG-ARFHVFGLSA-N 1 3 362.522 0.903 20 0 FCADHO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@@H]1C(=O)OC ZINC001173570700 1206280852 /nfs/dbraw/zinc/28/08/52/1206280852.db2.gz VQZCRSKGXIMVIU-YQLLOFTFSA-N 1 3 368.474 0.960 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220643212 1224982010 /nfs/dbraw/zinc/98/20/10/1224982010.db2.gz VNXQVYQOBLEVAJ-JQHSSLGASA-N 1 3 369.506 0.075 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654570 1224994956 /nfs/dbraw/zinc/99/49/56/1224994956.db2.gz YTHYHKGPJQEKPW-KRWDZBQOSA-N 1 3 361.490 0.346 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871023 1207613720 /nfs/dbraw/zinc/61/37/20/1207613720.db2.gz IDYLZHTUUAVZHA-ZWKOTPCHSA-N 1 3 368.522 0.404 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2ocnc2c1 ZINC001220679200 1225008132 /nfs/dbraw/zinc/00/81/32/1225008132.db2.gz VUJHMHWENJQSRS-HOCLYGCPSA-N 1 3 373.457 0.891 20 0 FCADHO CC[NH+](CC)CC(F)C(=O)NC1CN(CCCc2nc(C)no2)CC1O ZINC001193446954 1207873231 /nfs/dbraw/zinc/87/32/31/1207873231.db2.gz FEHJGDWAXZSRGY-RBSFLKMASA-N 1 3 371.457 0.152 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)CC[N@@H+]1C ZINC001488409084 1208509293 /nfs/dbraw/zinc/50/92/93/1208509293.db2.gz JHFGOEQFRACRGA-BZUAXINKSA-N 1 3 370.538 0.240 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)CC[N@H+]1C ZINC001488409084 1208509296 /nfs/dbraw/zinc/50/92/96/1208509296.db2.gz JHFGOEQFRACRGA-BZUAXINKSA-N 1 3 370.538 0.240 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1OC)N(C)C ZINC001489546700 1208910430 /nfs/dbraw/zinc/91/04/30/1208910430.db2.gz RIUNLQSMYZRRLE-IXDOHACOSA-N 1 3 368.522 0.545 20 0 FCADHO COC(=O)[C@H](CNC(=O)[C@@H](N)CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840540 1225101768 /nfs/dbraw/zinc/10/17/68/1225101768.db2.gz PCPWOBZLDXNJJL-CABCVRRESA-N 1 3 362.430 0.616 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941779 1225149685 /nfs/dbraw/zinc/14/96/85/1225149685.db2.gz YNPQDLLDOJXCSI-WSMBLCCSSA-N 1 3 362.478 0.569 20 0 FCADHO O=C(NCC1CCN(c2cnccn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220932262 1225147335 /nfs/dbraw/zinc/14/73/35/1225147335.db2.gz JNMDGEMGYQAEAR-INIZCTEOSA-N 1 3 358.490 0.683 20 0 FCADHO O=C(NCC1CCN(c2cnccn2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220932262 1225147341 /nfs/dbraw/zinc/14/73/41/1225147341.db2.gz JNMDGEMGYQAEAR-INIZCTEOSA-N 1 3 358.490 0.683 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746249 1209789226 /nfs/dbraw/zinc/78/92/26/1209789226.db2.gz BXCWYULNJBLUQI-TVFCKZIOSA-N 1 3 362.474 0.637 20 0 FCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000861771025 1209881271 /nfs/dbraw/zinc/88/12/71/1209881271.db2.gz SNICMKLAXOVBBU-CQSZACIVSA-N 1 3 362.474 0.065 20 0 FCADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc([C@H](N)C[NH3+])cc2)CC1 ZINC001221006995 1225183134 /nfs/dbraw/zinc/18/31/34/1225183134.db2.gz QZWRPDBUTMSOSA-BRWVUGGUSA-N 1 3 361.490 0.364 20 0 FCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221010184 1225184818 /nfs/dbraw/zinc/18/48/18/1225184818.db2.gz AXTRPZMCCCCBCQ-ZWKOTPCHSA-N 1 3 372.513 0.734 20 0 FCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221010184 1225184823 /nfs/dbraw/zinc/18/48/23/1225184823.db2.gz AXTRPZMCCCCBCQ-ZWKOTPCHSA-N 1 3 372.513 0.734 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1)N(C)C ZINC000871461179 1210155925 /nfs/dbraw/zinc/15/59/25/1210155925.db2.gz GVFZFWXYYBDTNP-ZACQAIPSSA-N 1 3 370.538 0.502 20 0 FCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000876881307 1210432534 /nfs/dbraw/zinc/43/25/34/1210432534.db2.gz XIBQNEGISYXLIO-QGZVFWFLSA-N 1 3 362.522 0.826 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000888887437 1210593942 /nfs/dbraw/zinc/59/39/42/1210593942.db2.gz NXIFIGLLYXXQKV-HOTGVXAUSA-N 1 3 369.510 0.249 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000888887437 1210593950 /nfs/dbraw/zinc/59/39/50/1210593950.db2.gz NXIFIGLLYXXQKV-HOTGVXAUSA-N 1 3 369.510 0.249 20 0 FCADHO N[C@H]1CCCCN(CC(=O)NCC2(c3ccccn3)CC[NH2+]CC2)C1=O ZINC001221114195 1225227042 /nfs/dbraw/zinc/22/70/42/1225227042.db2.gz QNDYHOVZERQAGT-HNNXBMFYSA-N 1 3 359.474 0.159 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000884496056 1210739368 /nfs/dbraw/zinc/73/93/68/1210739368.db2.gz LDSVTDWOMBSXIN-NJAFHUGGSA-N 1 3 374.485 0.342 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)Cc1ccccc1 ZINC000884559685 1210751006 /nfs/dbraw/zinc/75/10/06/1210751006.db2.gz BJFDCLFJLZSKSN-SQNIBIBYSA-N 1 3 374.485 0.042 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884576729 1210754245 /nfs/dbraw/zinc/75/42/45/1210754245.db2.gz OZEHFSXHYDJACI-HNNXBMFYSA-N 1 3 358.486 0.797 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884578356 1210756359 /nfs/dbraw/zinc/75/63/59/1210756359.db2.gz YQEQZJLMJRMVSW-HNNXBMFYSA-N 1 3 358.486 0.939 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000884646791 1210772743 /nfs/dbraw/zinc/77/27/43/1210772743.db2.gz GOZRXEMQEATJMB-RHSMWYFYSA-N 1 3 374.485 0.208 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884656526 1210773685 /nfs/dbraw/zinc/77/36/85/1210773685.db2.gz KQKVTZPWXAFXEW-HNNXBMFYSA-N 1 3 368.522 0.722 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000884690848 1210780989 /nfs/dbraw/zinc/78/09/89/1210780989.db2.gz NNISDVGLZRGVDA-QAPCUYQASA-N 1 3 367.453 0.935 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000884779479 1210794347 /nfs/dbraw/zinc/79/43/47/1210794347.db2.gz YHFYRLPNCDSTJX-RHSMWYFYSA-N 1 3 359.474 0.358 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140779 1210811753 /nfs/dbraw/zinc/81/17/53/1210811753.db2.gz YRSOSWZUCZPVPU-MRXNPFEDSA-N 1 3 368.522 0.308 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885152561 1210813047 /nfs/dbraw/zinc/81/30/47/1210813047.db2.gz QYIVMXMVWZFSNF-DLBZAZTESA-N 1 3 358.486 0.806 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885152561 1210813048 /nfs/dbraw/zinc/81/30/48/1210813048.db2.gz QYIVMXMVWZFSNF-DLBZAZTESA-N 1 3 358.486 0.806 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885280741 1210817142 /nfs/dbraw/zinc/81/71/42/1210817142.db2.gz SOVYNBGZDFIEOG-CYBMUJFWSA-N 1 3 372.416 0.531 20 0 FCADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831383 1210986705 /nfs/dbraw/zinc/98/67/05/1210986705.db2.gz XPDOFFXUHTWYSH-WEXBMKDWSA-N 1 3 363.502 0.998 20 0 FCADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831383 1210986710 /nfs/dbraw/zinc/98/67/10/1210986710.db2.gz XPDOFFXUHTWYSH-WEXBMKDWSA-N 1 3 363.502 0.998 20 0 FCADHO COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(C)(C)CN(C)C ZINC001275512621 1211252925 /nfs/dbraw/zinc/25/29/25/1211252925.db2.gz SVCREMUFHBHEGP-BZUAXINKSA-N 1 3 369.506 0.828 20 0 FCADHO COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(C)(C)CN(C)C ZINC001275512621 1211252926 /nfs/dbraw/zinc/25/29/26/1211252926.db2.gz SVCREMUFHBHEGP-BZUAXINKSA-N 1 3 369.506 0.828 20 0 FCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cnc4c(c3)OCCO4)C2)C1=O ZINC001275966998 1211318959 /nfs/dbraw/zinc/31/89/59/1211318959.db2.gz MGJRLINXFKDWEY-IBGZPJMESA-N 1 3 360.458 0.839 20 0 FCADHO CC[C@H](CCC(=O)OC)C[N@@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269713 1211400576 /nfs/dbraw/zinc/40/05/76/1211400576.db2.gz OFUCCMPXVGDGOL-VQIMIIECSA-N 1 3 369.506 0.831 20 0 FCADHO CC[C@H](CCC(=O)OC)C[N@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001276269713 1211400585 /nfs/dbraw/zinc/40/05/85/1211400585.db2.gz OFUCCMPXVGDGOL-VQIMIIECSA-N 1 3 369.506 0.831 20 0 FCADHO C(CN1CCC[C@@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000925768323 1211507981 /nfs/dbraw/zinc/50/79/81/1211507981.db2.gz JOUHUBZNSWRZHB-FUMNGEBKSA-N 1 3 366.550 0.530 20 0 FCADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926357172 1211538891 /nfs/dbraw/zinc/53/88/91/1211538891.db2.gz NPPKUCMVFKSDQN-ZDUSSCGKSA-N 1 3 359.474 0.893 20 0 FCADHO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CCC[NH3+] ZINC001221337642 1225300296 /nfs/dbraw/zinc/30/02/96/1225300296.db2.gz PYUFLUIHDQWCRR-ILXRZTDVSA-N 1 3 372.510 0.287 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221399240 1225306785 /nfs/dbraw/zinc/30/67/85/1225306785.db2.gz JFKJUJSTDGGQEH-ROUUACIJSA-N 1 3 365.481 0.965 20 0 FCADHO CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931485768 1211757692 /nfs/dbraw/zinc/75/76/92/1211757692.db2.gz DKDIPNXOSJEURW-KRWDZBQOSA-N 1 3 365.474 0.773 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263254 1211987327 /nfs/dbraw/zinc/98/73/27/1211987327.db2.gz IKAYHCQLYQUFNB-MKXGPGLRSA-N 1 3 365.518 0.837 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007499036 1212509582 /nfs/dbraw/zinc/50/95/82/1212509582.db2.gz AFIQKELKZNFCLA-KNBMTAEXSA-N 1 3 371.485 0.791 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CCN([C@@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC000957552676 1213320757 /nfs/dbraw/zinc/32/07/57/1213320757.db2.gz WIQNQETZDMTRNP-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CC2)CCN([C@@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC000957552676 1213320761 /nfs/dbraw/zinc/32/07/61/1213320761.db2.gz WIQNQETZDMTRNP-BRWVUGGUSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000959658872 1213489835 /nfs/dbraw/zinc/48/98/35/1213489835.db2.gz FXNLPOGRRVGZHM-HZPDHXFCSA-N 1 3 362.518 0.777 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)Cc1ccccc1 ZINC000418827970 1213849438 /nfs/dbraw/zinc/84/94/38/1213849438.db2.gz CPCOYPPEQAZORA-YLJYHZDGSA-N 1 3 358.486 0.630 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N(C)Cc1ccccc1 ZINC000418936005 1213927704 /nfs/dbraw/zinc/92/77/04/1213927704.db2.gz BCYPJUGHVODLGB-JXFKEZNVSA-N 1 3 358.486 0.978 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419429383 1214180216 /nfs/dbraw/zinc/18/02/16/1214180216.db2.gz UPHMGGLQPXQZPF-NRFANRHFSA-N 1 3 370.497 0.906 20 0 FCADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001040450363 1214510704 /nfs/dbraw/zinc/51/07/04/1214510704.db2.gz PGMRKKNQPNGNDO-FRQCXROJSA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001040450363 1214510710 /nfs/dbraw/zinc/51/07/10/1214510710.db2.gz PGMRKKNQPNGNDO-FRQCXROJSA-N 1 3 368.522 0.138 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221936616 1225542380 /nfs/dbraw/zinc/54/23/80/1225542380.db2.gz MWKCNIHCCOWECC-CEXWTWQISA-N 1 3 365.518 0.648 20 0 FCADHO COCCOC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962774 1225555169 /nfs/dbraw/zinc/55/51/69/1225555169.db2.gz VPQHZXXYJJGLJE-FGTMMUONSA-N 1 3 371.522 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCCN(C)C2=O)CC3)CC[N@@H+]1C ZINC001050524606 1216331012 /nfs/dbraw/zinc/33/10/12/1216331012.db2.gz HWHORPWMEOZIAT-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCCN(C)C2=O)CC3)CC[N@H+]1C ZINC001050524606 1216331019 /nfs/dbraw/zinc/33/10/19/1216331019.db2.gz HWHORPWMEOZIAT-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276850826 1225667892 /nfs/dbraw/zinc/66/78/92/1225667892.db2.gz GPLVNQCSCXIOOT-QUCCMNQESA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@@H](C)[N@H+]1CCOC[C@@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276850826 1225667894 /nfs/dbraw/zinc/66/78/94/1225667894.db2.gz GPLVNQCSCXIOOT-QUCCMNQESA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001057875397 1216598356 /nfs/dbraw/zinc/59/83/56/1216598356.db2.gz TZLXNDCOLGHKEU-JKSUJKDBSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001057875397 1216598361 /nfs/dbraw/zinc/59/83/61/1216598361.db2.gz TZLXNDCOLGHKEU-JKSUJKDBSA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)N(C)CC)CC[N@@H+]1C ZINC001057942535 1216606205 /nfs/dbraw/zinc/60/62/05/1216606205.db2.gz KESZVVZHLOWPCT-JKSUJKDBSA-N 1 3 370.538 0.384 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)N(C)CC)CC[N@H+]1C ZINC001057942535 1216606208 /nfs/dbraw/zinc/60/62/08/1216606208.db2.gz KESZVVZHLOWPCT-JKSUJKDBSA-N 1 3 370.538 0.384 20 0 FCADHO CO[C@H](C)CN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970396 1216875951 /nfs/dbraw/zinc/87/59/51/1216875951.db2.gz CUQYKCCZCCJNMG-XYPHTWIQSA-N 1 3 369.429 0.616 20 0 FCADHO CC(C)NC(=O)NCCN1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393467 1225702901 /nfs/dbraw/zinc/70/29/01/1225702901.db2.gz NEBPIRCDVJCKKO-SJORKVTESA-N 1 3 367.538 0.959 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958679 1225768245 /nfs/dbraw/zinc/76/82/45/1225768245.db2.gz IQLODSIVPXQQIH-FQEVSTJZSA-N 1 3 366.550 0.567 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](CC(C)(C)CO)C3)C2=O)CC1 ZINC001276958679 1225768248 /nfs/dbraw/zinc/76/82/48/1225768248.db2.gz IQLODSIVPXQQIH-FQEVSTJZSA-N 1 3 366.550 0.567 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCc3ncnn32)CC1 ZINC001095965339 1217789895 /nfs/dbraw/zinc/78/98/95/1217789895.db2.gz QPGUYGDXJANVKR-QZWWFDLISA-N 1 3 358.490 0.829 20 0 FCADHO C[C@H](CO)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276973549 1225780863 /nfs/dbraw/zinc/78/08/63/1225780863.db2.gz DVYGFXQDIVIBLY-ICSRJNTNSA-N 1 3 366.550 0.709 20 0 FCADHO C[C@H](CO)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276973549 1225780866 /nfs/dbraw/zinc/78/08/66/1225780866.db2.gz DVYGFXQDIVIBLY-ICSRJNTNSA-N 1 3 366.550 0.709 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900497976 1217999560 /nfs/dbraw/zinc/99/95/60/1217999560.db2.gz QLRKJEGRMOTZSZ-INIZCTEOSA-N 1 3 364.494 0.117 20 0 FCADHO CN(C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900898899 1218050710 /nfs/dbraw/zinc/05/07/10/1218050710.db2.gz NLQRJGMQWDWXLB-HXUWFJFHSA-N 1 3 371.485 0.812 20 0 FCADHO CN(C)CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900898899 1218050715 /nfs/dbraw/zinc/05/07/15/1218050715.db2.gz NLQRJGMQWDWXLB-HXUWFJFHSA-N 1 3 371.485 0.812 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001096356871 1218264000 /nfs/dbraw/zinc/26/40/00/1218264000.db2.gz YLDVZQNYMISGNT-QZWWFDLISA-N 1 3 359.474 0.061 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](CNCc3nnnn3C)CC2)CC[N@@H+]1C ZINC001048606381 1218294936 /nfs/dbraw/zinc/29/49/36/1218294936.db2.gz IXXKBYUGLPNVPW-KLHDSHLOSA-N 1 3 363.510 0.563 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](CNCc3nnnn3C)CC2)CC[N@H+]1C ZINC001048606381 1218294938 /nfs/dbraw/zinc/29/49/38/1218294938.db2.gz IXXKBYUGLPNVPW-KLHDSHLOSA-N 1 3 363.510 0.563 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)CC1 ZINC001097778896 1218845098 /nfs/dbraw/zinc/84/50/98/1218845098.db2.gz ABBWKILFCOVZKW-TVFCKZIOSA-N 1 3 361.490 0.307 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804051103 1219103740 /nfs/dbraw/zinc/10/37/40/1219103740.db2.gz NEDUCXRAWAHLAT-QZWWFDLISA-N 1 3 364.490 0.051 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804051103 1219103751 /nfs/dbraw/zinc/10/37/51/1219103751.db2.gz NEDUCXRAWAHLAT-QZWWFDLISA-N 1 3 364.490 0.051 20 0 FCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059051 1219112634 /nfs/dbraw/zinc/11/26/34/1219112634.db2.gz JWUHPNZQGDQOLK-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804058229 1219113039 /nfs/dbraw/zinc/11/30/39/1219113039.db2.gz UFZSGOUXSCWJJU-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060400 1219120814 /nfs/dbraw/zinc/12/08/14/1219120814.db2.gz UJIJNCJMRQRQKU-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060400 1219120818 /nfs/dbraw/zinc/12/08/18/1219120818.db2.gz UJIJNCJMRQRQKU-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CO[C@H](C)CN1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060400 1219120822 /nfs/dbraw/zinc/12/08/22/1219120822.db2.gz UJIJNCJMRQRQKU-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc3c[nH+]cn3c2)[n-]1 ZINC001070354813 1219392363 /nfs/dbraw/zinc/39/23/63/1219392363.db2.gz WSUALVOFDSBXFG-GJZGRUSLSA-N 1 3 369.429 0.864 20 0 FCADHO COc1ccnc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)c1 ZINC001277261521 1225893760 /nfs/dbraw/zinc/89/37/60/1225893760.db2.gz XQTYVIPTVANDOM-IBGZPJMESA-N 1 3 360.458 0.993 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]C[C@H]2CCOC2)c1 ZINC001070541306 1219459844 /nfs/dbraw/zinc/45/98/44/1219459844.db2.gz VCULCAGFNNUUMH-UKPHBRMFSA-N 1 3 358.446 0.306 20 0 FCADHO NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001071106619 1219608609 /nfs/dbraw/zinc/60/86/09/1219608609.db2.gz MEGKRIAJSCMNJA-APWZRJJASA-N 1 3 366.506 0.333 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCc2ncnn21)C12CC[NH+](CC1)C2 ZINC001098224779 1219743845 /nfs/dbraw/zinc/74/38/45/1219743845.db2.gz FHOSZNZVXPRACX-QXSJWSMHSA-N 1 3 356.474 0.583 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001098225144 1219744073 /nfs/dbraw/zinc/74/40/73/1219744073.db2.gz WJEDEGJUPRRRIK-ZACQAIPSSA-N 1 3 360.502 0.816 20 0 FCADHO CN1CCC2(CC1)NC(=O)N(CN1CCC([NH+]3CCCCC3)CC1)C2=O ZINC000749663591 1219806384 /nfs/dbraw/zinc/80/63/84/1219806384.db2.gz ZHACVRGEKRIBQM-UHFFFAOYSA-N 1 3 363.506 0.910 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnnn3C)C2)C1 ZINC001099500636 1220016567 /nfs/dbraw/zinc/01/65/67/1220016567.db2.gz ZMDOOBLRWUWIHE-GJYPPUQNSA-N 1 3 360.506 0.875 20 0 FCADHO CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1=O ZINC001099506652 1220017892 /nfs/dbraw/zinc/01/78/92/1220017892.db2.gz SGVFEGMKYRBZRE-GMBSWORKSA-N 1 3 359.474 0.791 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C3)nn1 ZINC001099525873 1220023862 /nfs/dbraw/zinc/02/38/62/1220023862.db2.gz DGRHRLSYDBYAGY-BXWFABGCSA-N 1 3 360.506 0.875 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C3)nn1 ZINC001099525873 1220023866 /nfs/dbraw/zinc/02/38/66/1220023866.db2.gz DGRHRLSYDBYAGY-BXWFABGCSA-N 1 3 360.506 0.875 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001228623699 1225937334 /nfs/dbraw/zinc/93/73/34/1225937334.db2.gz HMDKPENGOWESMP-RBSFLKMASA-N 1 3 366.506 0.787 20 0 FCADHO COCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305135 1220278408 /nfs/dbraw/zinc/27/84/08/1220278408.db2.gz GTACEGKZYBHGLS-RMQWMXHSSA-N 1 3 363.502 0.666 20 0 FCADHO COCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305135 1220278411 /nfs/dbraw/zinc/27/84/11/1220278411.db2.gz GTACEGKZYBHGLS-RMQWMXHSSA-N 1 3 363.502 0.666 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400330 1220323806 /nfs/dbraw/zinc/32/38/06/1220323806.db2.gz RGBRXQJAQPILIF-LMMKCTJWSA-N 1 3 371.522 0.132 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)COCCOC)C[C@@]2(C)C1 ZINC001101400330 1220323807 /nfs/dbraw/zinc/32/38/07/1220323807.db2.gz RGBRXQJAQPILIF-LMMKCTJWSA-N 1 3 371.522 0.132 20 0 FCADHO CC[N@H+](C)[C@@H](C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428554 1220338260 /nfs/dbraw/zinc/33/82/60/1220338260.db2.gz GKRLVWRXRWMOMP-POAQFYNOSA-N 1 3 358.486 0.945 20 0 FCADHO CC[N@@H+](C)[C@@H](C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428554 1220338262 /nfs/dbraw/zinc/33/82/62/1220338262.db2.gz GKRLVWRXRWMOMP-POAQFYNOSA-N 1 3 358.486 0.945 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101440702 1220346763 /nfs/dbraw/zinc/34/67/63/1220346763.db2.gz RHNJXVHKVBPHKL-BEFAXECRSA-N 1 3 364.490 0.258 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101440702 1220346767 /nfs/dbraw/zinc/34/67/67/1220346767.db2.gz RHNJXVHKVBPHKL-BEFAXECRSA-N 1 3 364.490 0.258 20 0 FCADHO COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045963 1220476096 /nfs/dbraw/zinc/47/60/96/1220476096.db2.gz FAFZBYOINKBLQO-ZACQAIPSSA-N 1 3 371.522 0.179 20 0 FCADHO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045963 1220476098 /nfs/dbraw/zinc/47/60/98/1220476098.db2.gz FAFZBYOINKBLQO-ZACQAIPSSA-N 1 3 371.522 0.179 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048814 1220477395 /nfs/dbraw/zinc/47/73/95/1220477395.db2.gz PPLDACFBJCKCCI-ZTFGCOKTSA-N 1 3 368.522 0.163 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048814 1220477398 /nfs/dbraw/zinc/47/73/98/1220477398.db2.gz PPLDACFBJCKCCI-ZTFGCOKTSA-N 1 3 368.522 0.163 20 0 FCADHO CCOCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171394 1220533741 /nfs/dbraw/zinc/53/37/41/1220533741.db2.gz VQHXENYRMYZWPP-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO CCOCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171394 1220533747 /nfs/dbraw/zinc/53/37/47/1220533747.db2.gz VQHXENYRMYZWPP-MJQPBPLVSA-N 1 3 365.518 0.960 20 0 FCADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433563 1220623444 /nfs/dbraw/zinc/62/34/44/1220623444.db2.gz AADWBZSJRJPFPN-BMFZPTHFSA-N 1 3 364.490 0.208 20 0 FCADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1C ZINC001102580832 1220703249 /nfs/dbraw/zinc/70/32/49/1220703249.db2.gz NKBQUJBQSYIRTC-BRWVUGGUSA-N 1 3 363.506 0.573 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580832 1220703250 /nfs/dbraw/zinc/70/32/50/1220703250.db2.gz NKBQUJBQSYIRTC-BRWVUGGUSA-N 1 3 363.506 0.573 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001102580832 1220703251 /nfs/dbraw/zinc/70/32/51/1220703251.db2.gz NKBQUJBQSYIRTC-BRWVUGGUSA-N 1 3 363.506 0.573 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550191 1220899706 /nfs/dbraw/zinc/89/97/06/1220899706.db2.gz DDWOAURHEFMIAB-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103550191 1220899709 /nfs/dbraw/zinc/89/97/09/1220899709.db2.gz DDWOAURHEFMIAB-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103665689 1220933304 /nfs/dbraw/zinc/93/33/04/1220933304.db2.gz PSYPHUBVLTXPHN-HZPDHXFCSA-N 1 3 366.506 0.551 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001103665689 1220933310 /nfs/dbraw/zinc/93/33/10/1220933310.db2.gz PSYPHUBVLTXPHN-HZPDHXFCSA-N 1 3 366.506 0.551 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755563 1220965317 /nfs/dbraw/zinc/96/53/17/1220965317.db2.gz LLQGUSFFRWRHSA-QLFBSQMISA-N 1 3 369.510 0.245 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755563 1220965322 /nfs/dbraw/zinc/96/53/22/1220965322.db2.gz LLQGUSFFRWRHSA-QLFBSQMISA-N 1 3 369.510 0.245 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(CCNC(=O)C2CC2)C3)C1 ZINC001111938386 1221179678 /nfs/dbraw/zinc/17/96/78/1221179678.db2.gz YUOPJYVWLYROLU-SYNHAJSKSA-N 1 3 362.518 0.825 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(CCNC(=O)C2CC2)C3)C1 ZINC001111938386 1221179681 /nfs/dbraw/zinc/17/96/81/1221179681.db2.gz YUOPJYVWLYROLU-SYNHAJSKSA-N 1 3 362.518 0.825 20 0 FCADHO C[C@@H](CC[NH+]1CCC2(CNC(=O)C2)CC1)N1CCC2(CNC(=O)C2)CC1 ZINC001116333838 1221354614 /nfs/dbraw/zinc/35/46/14/1221354614.db2.gz YCAZGZHCSMSEAO-INIZCTEOSA-N 1 3 362.518 0.969 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C(N)=O)c3ccccn3)CC2)CC1 ZINC001118317034 1221757553 /nfs/dbraw/zinc/75/75/53/1221757553.db2.gz HPWJLLISCOINFG-SFHVURJKSA-N 1 3 373.501 0.921 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCN(C(N)=O)CC3)CC2)CC1 ZINC001118373818 1221769668 /nfs/dbraw/zinc/76/96/68/1221769668.db2.gz LEILCTXGIHDVAF-UHFFFAOYSA-N 1 3 365.522 0.796 20 0 FCADHO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230274775 1226071119 /nfs/dbraw/zinc/07/11/19/1226071119.db2.gz KZJLRDJWHXQBBR-GVDBMIGSSA-N 1 3 370.538 0.885 20 0 FCADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001120702534 1222115209 /nfs/dbraw/zinc/11/52/09/1222115209.db2.gz FOFVKEPXFZOGOD-MRXNPFEDSA-N 1 3 364.494 0.620 20 0 FCADHO CC(CC(=O)N[C@@H]1CN2CCC1CC2)CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001120774387 1222119911 /nfs/dbraw/zinc/11/99/11/1222119911.db2.gz OHCUDPOVFQVLBA-QZTJIDSGSA-N 1 3 362.518 0.824 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1C[NH+](C)C ZINC000839483696 1222740962 /nfs/dbraw/zinc/74/09/62/1222740962.db2.gz FIDQGPGAVRFBER-ZWKOTPCHSA-N 1 3 374.485 0.975 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000841017271 1222805028 /nfs/dbraw/zinc/80/50/28/1222805028.db2.gz CNZVSQATLUBQHP-UHFFFAOYSA-N 1 3 360.506 0.855 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000841178278 1222812000 /nfs/dbraw/zinc/81/20/00/1222812000.db2.gz FGZHGRDMQGQNLI-MAUKXSAKSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)cc2)CC1 ZINC000841189395 1222812848 /nfs/dbraw/zinc/81/28/48/1222812848.db2.gz GKDVSLPPNHKLPZ-SFHVURJKSA-N 1 3 373.501 0.977 20 0 FCADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000842011499 1222832521 /nfs/dbraw/zinc/83/25/21/1222832521.db2.gz PEAAMAAHRIXLOT-IEBWSBKVSA-N 1 3 362.474 0.253 20 0 FCADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000842011499 1222832522 /nfs/dbraw/zinc/83/25/22/1222832522.db2.gz PEAAMAAHRIXLOT-IEBWSBKVSA-N 1 3 362.474 0.253 20 0 FCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842164664 1222838352 /nfs/dbraw/zinc/83/83/52/1222838352.db2.gz MGYRKXULOWAKRO-MSOLQXFVSA-N 1 3 374.485 0.343 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703922 1226164164 /nfs/dbraw/zinc/16/41/64/1226164164.db2.gz ISTWFYDJLQGVJX-YLJYHZDGSA-N 1 3 361.486 0.912 20 0 FCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703922 1226164169 /nfs/dbraw/zinc/16/41/69/1226164169.db2.gz ISTWFYDJLQGVJX-YLJYHZDGSA-N 1 3 361.486 0.912 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992449 1223065157 /nfs/dbraw/zinc/06/51/57/1223065157.db2.gz LETDHLIBCXHKTI-QKNQBKEWSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992449 1223065161 /nfs/dbraw/zinc/06/51/61/1223065161.db2.gz LETDHLIBCXHKTI-QKNQBKEWSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992450 1223065248 /nfs/dbraw/zinc/06/52/48/1223065248.db2.gz LETDHLIBCXHKTI-ZJOUEHCJSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992450 1223065251 /nfs/dbraw/zinc/06/52/51/1223065251.db2.gz LETDHLIBCXHKTI-ZJOUEHCJSA-N 1 3 373.497 0.681 20 0 FCADHO [NH3+]CCCC[C@H](NC(=O)[C@H]1CC[C@@]2(C1)CNCCO2)C(=O)N1CCCC1 ZINC001157371230 1223075544 /nfs/dbraw/zinc/07/55/44/1223075544.db2.gz QCBBRKKSILFFEV-TXPKVOOTSA-N 1 3 366.506 0.381 20 0 FCADHO CCOc1ccccc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001157615767 1223079648 /nfs/dbraw/zinc/07/96/48/1223079648.db2.gz PMNXXPGUDVRPJA-OXQOHEQNSA-N 1 3 358.486 0.933 20 0 FCADHO N[C@H](C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)C1CC[NH2+]CC1 ZINC001158682050 1223104754 /nfs/dbraw/zinc/10/47/54/1223104754.db2.gz RNIDXONWFDBEQV-ZSYWTGECSA-N 1 3 374.485 0.684 20 0 FCADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C2 ZINC001158789002 1223109186 /nfs/dbraw/zinc/10/91/86/1223109186.db2.gz CLFWGZYIHMFEQQ-CABCVRRESA-N 1 3 366.510 0.866 20 0 FCADHO Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC3)cn1 ZINC001158991969 1223114414 /nfs/dbraw/zinc/11/44/14/1223114414.db2.gz RXXCPPVEDDFIPI-RDJZCZTQSA-N 1 3 361.490 0.612 20 0 FCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cn1 ZINC001159083934 1223117107 /nfs/dbraw/zinc/11/71/07/1223117107.db2.gz CSEKICPYUIMKEM-OWCLPIDISA-N 1 3 372.473 0.001 20 0 FCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001159083934 1223117108 /nfs/dbraw/zinc/11/71/08/1223117108.db2.gz CSEKICPYUIMKEM-OWCLPIDISA-N 1 3 372.473 0.001 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159192471 1223120012 /nfs/dbraw/zinc/12/00/12/1223120012.db2.gz SVGRJKCSNZYEKZ-DOTOQJQBSA-N 1 3 359.474 0.077 20 0 FCADHO Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159367863 1223125059 /nfs/dbraw/zinc/12/50/59/1223125059.db2.gz LVIOJVNGOCKJQB-DOTOQJQBSA-N 1 3 372.473 0.524 20 0 FCADHO CCOC[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)Cc2cnn(C)c21 ZINC001159393916 1223125925 /nfs/dbraw/zinc/12/59/25/1223125925.db2.gz IVSGYGUTSYLHAR-JKSUJKDBSA-N 1 3 361.490 0.757 20 0 FCADHO CCOC[C@@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)Cc2cnn(C)c21 ZINC001159393916 1223125928 /nfs/dbraw/zinc/12/59/28/1223125928.db2.gz IVSGYGUTSYLHAR-JKSUJKDBSA-N 1 3 361.490 0.757 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001159416711 1223126520 /nfs/dbraw/zinc/12/65/20/1223126520.db2.gz FYGPCVHAQZMJFW-GJYPPUQNSA-N 1 3 356.470 0.898 20 0 FCADHO CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)O1 ZINC001159451454 1223127331 /nfs/dbraw/zinc/12/73/31/1223127331.db2.gz XSLPQIWTWVKBLB-RVKKMQEKSA-N 1 3 369.510 0.254 20 0 FCADHO NC(=[NH2+])NCCCCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666248 1223133018 /nfs/dbraw/zinc/13/30/18/1223133018.db2.gz PQWBDWVWOPWOOV-DLBZAZTESA-N 1 3 374.489 0.537 20 0 FCADHO C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001159695940 1223134046 /nfs/dbraw/zinc/13/40/46/1223134046.db2.gz HGFZZDMCEJDDOC-CJNGLKHVSA-N 1 3 359.474 0.522 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001159746645 1223135473 /nfs/dbraw/zinc/13/54/73/1223135473.db2.gz JITULJSQFKEHFB-YESZJQIVSA-N 1 3 360.458 0.052 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160083741 1223144642 /nfs/dbraw/zinc/14/46/42/1223144642.db2.gz BSLZWANXVBPYMD-TXPKVOOTSA-N 1 3 359.474 0.393 20 0 FCADHO Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@@H]4C[NH2+]CC45CNC5)C3)CC2=O)s1 ZINC001160095235 1223145387 /nfs/dbraw/zinc/14/53/87/1223145387.db2.gz UGDKJDMYDMSTFT-KSSFIOAISA-N 1 3 374.510 0.821 20 0 FCADHO N[C@H](Cc1c[nH]cn1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127952 1223146665 /nfs/dbraw/zinc/14/66/65/1223146665.db2.gz GMGURWZABTYSQY-ZDRJDWQYSA-N 1 3 370.457 0.475 20 0 FCADHO N[C@@H](C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O)C1CC[NH2+]CC1 ZINC001160156139 1223147609 /nfs/dbraw/zinc/14/76/09/1223147609.db2.gz OBONQPAWAONUDO-GOSISDBHSA-N 1 3 370.497 0.795 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160356582 1223156848 /nfs/dbraw/zinc/15/68/48/1223156848.db2.gz DEXUJKDKDFVUIW-RDTXWAMCSA-N 1 3 364.446 0.179 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414855 1223157879 /nfs/dbraw/zinc/15/78/79/1223157879.db2.gz DWUWQGZTIQKNKE-YJBOKZPZSA-N 1 3 360.462 0.278 20 0 FCADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160413358 1223158023 /nfs/dbraw/zinc/15/80/23/1223158023.db2.gz XPJMMSVUQULKNX-BKEDOTJMSA-N 1 3 358.442 0.152 20 0 FCADHO COC(=O)c1ccc(CN2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC2)cc1 ZINC001160568902 1223164761 /nfs/dbraw/zinc/16/47/61/1223164761.db2.gz JRWXKQXJPGUPFG-GOSISDBHSA-N 1 3 374.485 0.444 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766789 1223171765 /nfs/dbraw/zinc/17/17/65/1223171765.db2.gz PAPRPIHPGYHXEF-XHSDSOJGSA-N 1 3 358.442 0.086 20 0 FCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779983 1223171791 /nfs/dbraw/zinc/17/17/91/1223171791.db2.gz LXQCGEOTBNRZQG-UWVAXJGDSA-N 1 3 358.486 0.476 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc4c(n3)CCNC4)C[C@H]1C2 ZINC001160804067 1223174055 /nfs/dbraw/zinc/17/40/55/1223174055.db2.gz QICSIPZQKGCGQI-ODCFSMADSA-N 1 3 370.453 0.198 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cncc4c3CCNC4)C[C@H]1C2 ZINC001160804241 1223174157 /nfs/dbraw/zinc/17/41/57/1223174157.db2.gz UDDMURFZMNFTQY-VWHWKWRLSA-N 1 3 370.453 0.198 20 0 FCADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160825133 1223175875 /nfs/dbraw/zinc/17/58/75/1223175875.db2.gz VSFVUQHEYFSZPX-HIFRSBDPSA-N 1 3 361.446 0.273 20 0 FCADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160825133 1223175877 /nfs/dbraw/zinc/17/58/77/1223175877.db2.gz VSFVUQHEYFSZPX-HIFRSBDPSA-N 1 3 361.446 0.273 20 0 FCADHO O=C(N1CCN(c2nc3ccccc3[nH]2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160893598 1223179599 /nfs/dbraw/zinc/17/95/99/1223179599.db2.gz FCBGGHWVEFFVTI-AUUYWEPGSA-N 1 3 354.458 0.411 20 0 FCADHO NC(=O)[C@@H]1CCCN1C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001161034440 1223184317 /nfs/dbraw/zinc/18/43/17/1223184317.db2.gz IKTPPEMHTAKGJQ-LVCYWYKZSA-N 1 3 370.497 0.965 20 0 FCADHO O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161245003 1223191812 /nfs/dbraw/zinc/19/18/12/1223191812.db2.gz AHLHLEBFCGTCBQ-MRXNPFEDSA-N 1 3 357.458 0.608 20 0 FCADHO COc1cc(C)nc(N(C(=O)[C@@H](N)Cc2cncn2C)C2CC[NH2+]CC2)n1 ZINC001161309405 1223194795 /nfs/dbraw/zinc/19/47/95/1223194795.db2.gz PKHDPCFMTQPEMA-HNNXBMFYSA-N 1 3 373.461 0.182 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313262 1223194904 /nfs/dbraw/zinc/19/49/04/1223194904.db2.gz HSUVDRGMWYNXDH-HNNXBMFYSA-N 1 3 363.437 0.860 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313262 1223194908 /nfs/dbraw/zinc/19/49/08/1223194908.db2.gz HSUVDRGMWYNXDH-HNNXBMFYSA-N 1 3 363.437 0.860 20 0 FCADHO CC(C)N(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)[C@H]1CC[NH2+]C1 ZINC001161352244 1223196478 /nfs/dbraw/zinc/19/64/78/1223196478.db2.gz SMRIIXRJJYJYCI-HOTGVXAUSA-N 1 3 361.490 0.908 20 0 FCADHO COc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C2)ccn1 ZINC001161393577 1223197721 /nfs/dbraw/zinc/19/77/21/1223197721.db2.gz IDHSYSSMVWJXIN-HZPDHXFCSA-N 1 3 360.458 0.944 20 0 FCADHO COc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C2)ccn1 ZINC001161393577 1223197724 /nfs/dbraw/zinc/19/77/24/1223197724.db2.gz IDHSYSSMVWJXIN-HZPDHXFCSA-N 1 3 360.458 0.944 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161385988 1223197831 /nfs/dbraw/zinc/19/78/31/1223197831.db2.gz DITFHQACDVUXKR-SJCJKPOMSA-N 1 3 365.453 0.795 20 0 FCADHO COc1cc(O[C@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C2)ccn1 ZINC001161393578 1223198013 /nfs/dbraw/zinc/19/80/13/1223198013.db2.gz IDHSYSSMVWJXIN-JKSUJKDBSA-N 1 3 360.458 0.944 20 0 FCADHO COc1cc(O[C@H]2CCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C2)ccn1 ZINC001161393578 1223198015 /nfs/dbraw/zinc/19/80/15/1223198015.db2.gz IDHSYSSMVWJXIN-JKSUJKDBSA-N 1 3 360.458 0.944 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC001161412110 1223198360 /nfs/dbraw/zinc/19/83/60/1223198360.db2.gz GCEMMXHCJDGIBE-SPOWBLRKSA-N 1 3 371.437 0.867 20 0 FCADHO O=C(N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161458090 1223199610 /nfs/dbraw/zinc/19/96/10/1223199610.db2.gz XULWHMJAUJRMHI-IIBYNOLFSA-N 1 3 368.481 0.663 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001161459497 1223200020 /nfs/dbraw/zinc/20/00/20/1223200020.db2.gz MMWAXOASPKWGCC-KRWDZBQOSA-N 1 3 354.458 0.858 20 0 FCADHO CN(C1CN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)C1)[C@H]1CCOC1 ZINC001161500767 1223202606 /nfs/dbraw/zinc/20/26/06/1223202606.db2.gz ZZBVSFRPTGYRJV-RDJZCZTQSA-N 1 3 361.442 0.379 20 0 FCADHO COC(=O)[C@H](C[NH3+])Cc1ccc(NCc2nnn3c2CNCCC3)cc1 ZINC001162980307 1223223555 /nfs/dbraw/zinc/22/35/55/1223223555.db2.gz YFNOUYFANWZNQF-AWEZNQCLSA-N 1 3 358.446 0.674 20 0 FCADHO CN1CCC(NC(=O)c2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001163316126 1223229183 /nfs/dbraw/zinc/22/91/83/1223229183.db2.gz OPPZGNGERFEVNT-DNVCBOLYSA-N 1 3 374.489 0.624 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC(N)=O)C1 ZINC001205306949 1223319566 /nfs/dbraw/zinc/31/95/66/1223319566.db2.gz HHHKMOQAIVMZSU-DLBZAZTESA-N 1 3 364.465 0.927 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205499712 1223328343 /nfs/dbraw/zinc/32/83/43/1223328343.db2.gz LBNHRXBSTMWKEL-GVDBMIGSSA-N 1 3 371.497 0.598 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1CN(CC2CC[NH+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001207397720 1223443040 /nfs/dbraw/zinc/44/30/40/1223443040.db2.gz RCLPONWGBUBNPX-GVDBMIGSSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCN(C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616131 1223563817 /nfs/dbraw/zinc/56/38/17/1223563817.db2.gz XUAQTPNJEKPTAY-VDHUWJSZSA-N 1 3 361.490 0.724 20 0 FCADHO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCN(C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616131 1223563823 /nfs/dbraw/zinc/56/38/23/1223563823.db2.gz XUAQTPNJEKPTAY-VDHUWJSZSA-N 1 3 361.490 0.724 20 0 FCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209724187 1223644055 /nfs/dbraw/zinc/64/40/55/1223644055.db2.gz IWTXHUMQHLPWDI-KURKYZTESA-N 1 3 358.486 0.658 20 0 FCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001209724187 1223644059 /nfs/dbraw/zinc/64/40/59/1223644059.db2.gz IWTXHUMQHLPWDI-KURKYZTESA-N 1 3 358.486 0.658 20 0 FCADHO Nc1ccncc1C[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001209729814 1223644807 /nfs/dbraw/zinc/64/48/07/1223644807.db2.gz BYZZLWGFCVUWOF-UHFFFAOYSA-N 1 3 368.441 0.791 20 0 FCADHO C[C@@H]1CN(CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298730 1223681861 /nfs/dbraw/zinc/68/18/61/1223681861.db2.gz RYLHKQKYBVKMPF-KZNAEPCWSA-N 1 3 371.522 0.587 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426206 1223690226 /nfs/dbraw/zinc/69/02/26/1223690226.db2.gz CIHUANQOGHXRLV-IXDOHACOSA-N 1 3 368.522 0.138 20 0 FCADHO CCOC(=O)[C@@H]1CNCCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001211362463 1223737283 /nfs/dbraw/zinc/73/72/83/1223737283.db2.gz KFWGFNBFXAQHSS-KRWDZBQOSA-N 1 3 372.473 0.533 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001214661920 1223930033 /nfs/dbraw/zinc/93/00/33/1223930033.db2.gz KTDWYMYRDQLXCX-MUIFIZLQSA-N 1 3 366.506 0.058 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001214661920 1223930036 /nfs/dbraw/zinc/93/00/36/1223930036.db2.gz KTDWYMYRDQLXCX-MUIFIZLQSA-N 1 3 366.506 0.058 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001214780318 1223941657 /nfs/dbraw/zinc/94/16/57/1223941657.db2.gz UZHSDRXOQLFDPE-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001214780318 1223941659 /nfs/dbraw/zinc/94/16/59/1223941659.db2.gz UZHSDRXOQLFDPE-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234523 1223984798 /nfs/dbraw/zinc/98/47/98/1223984798.db2.gz ZAIJZIQZXOTNSV-ZIAGYGMSSA-N 1 3 367.494 0.143 20 0 FCADHO CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423368 1223998800 /nfs/dbraw/zinc/99/88/00/1223998800.db2.gz JCZTWMNCVGJIIT-QLFBSQMISA-N 1 3 369.510 0.387 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001215453712 1224000206 /nfs/dbraw/zinc/00/02/06/1224000206.db2.gz OPJPPKMRBCQVOQ-DJIMGWMZSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC001215461046 1224000509 /nfs/dbraw/zinc/00/05/09/1224000509.db2.gz PBNWOPZAKQAADL-MGPQQGTHSA-N 1 3 369.510 0.387 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215568399 1224006673 /nfs/dbraw/zinc/00/66/73/1224006673.db2.gz OEAFEFJWMUMMDC-IXDOHACOSA-N 1 3 365.522 0.658 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001215599134 1224008670 /nfs/dbraw/zinc/00/86/70/1224008670.db2.gz SKECHFBDAXYUFA-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1)[NH+]1CCCC1 ZINC001215598856 1224008830 /nfs/dbraw/zinc/00/88/30/1224008830.db2.gz JZSDXVRTLBCITC-JFIYKMOQSA-N 1 3 363.506 0.858 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001215598997 1224008960 /nfs/dbraw/zinc/00/89/60/1224008960.db2.gz MREXGSALVIHRNU-HLLBOEOZSA-N 1 3 366.506 0.202 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001216001989 1224029391 /nfs/dbraw/zinc/02/93/91/1224029391.db2.gz NFSASWBVNIMAAU-JFIYKMOQSA-N 1 3 367.490 0.935 20 0 FCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090158 1224033549 /nfs/dbraw/zinc/03/35/49/1224033549.db2.gz AYNMPBIDFKCBTR-NVXWUHKLSA-N 1 3 368.522 0.450 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214176 1224039115 /nfs/dbraw/zinc/03/91/15/1224039115.db2.gz XSDOQPIPOBYSFM-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216214176 1224039118 /nfs/dbraw/zinc/03/91/18/1224039118.db2.gz XSDOQPIPOBYSFM-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO CCOc1cccc(CN[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216402238 1224049076 /nfs/dbraw/zinc/04/90/76/1224049076.db2.gz YIXMXXVCCGKHBJ-NVXWUHKLSA-N 1 3 364.490 0.995 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCCCOC)C1 ZINC001216490656 1224053275 /nfs/dbraw/zinc/05/32/75/1224053275.db2.gz IWSAZUNALQGOGD-IXDOHACOSA-N 1 3 370.538 0.696 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCCCOC)C1 ZINC001216490656 1224053278 /nfs/dbraw/zinc/05/32/78/1224053278.db2.gz IWSAZUNALQGOGD-IXDOHACOSA-N 1 3 370.538 0.696 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001216754537 1224069121 /nfs/dbraw/zinc/06/91/21/1224069121.db2.gz ZTZKXIRQFBDSIF-HYVNUMGLSA-N 1 3 359.474 0.086 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001216754537 1224069122 /nfs/dbraw/zinc/06/91/22/1224069122.db2.gz ZTZKXIRQFBDSIF-HYVNUMGLSA-N 1 3 359.474 0.086 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001216851656 1224079314 /nfs/dbraw/zinc/07/93/14/1224079314.db2.gz FFUSQJWFSNSUTQ-ZIAGYGMSSA-N 1 3 369.510 0.387 20 0 FCADHO NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)O1 ZINC000849089109 1245391959 /nfs/dbraw/zinc/39/19/59/1245391959.db2.gz UIXHASCSQOYKNX-DLBZAZTESA-N 1 3 359.474 0.798 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000915785600 1245529277 /nfs/dbraw/zinc/52/92/77/1245529277.db2.gz PZSZJDVIUZRJBG-OAHLLOKOSA-N 1 3 361.490 0.833 20 0 FCADHO CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366863 1245712921 /nfs/dbraw/zinc/71/29/21/1245712921.db2.gz PLPMKRFITBULOU-ROUUACIJSA-N 1 3 362.474 0.364 20 0 FCADHO O=C1N[C@@H]2CN(C[C@H](O)Cc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923379428 1245713116 /nfs/dbraw/zinc/71/31/16/1245713116.db2.gz JVKYNGJXUYBZGR-QRVBRYPASA-N 1 3 358.486 0.810 20 0 FCADHO CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366865 1245713756 /nfs/dbraw/zinc/71/37/56/1245713756.db2.gz PLPMKRFITBULOU-ZWKOTPCHSA-N 1 3 362.474 0.364 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942552815 1247128954 /nfs/dbraw/zinc/12/89/54/1247128954.db2.gz NHTZVBINJPOQTC-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC001327818448 1265433965 /nfs/dbraw/zinc/43/39/65/1265433965.db2.gz HWKHCELEYJJWPL-UHFFFAOYSA-N 1 3 364.450 0.085 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1 ZINC000994335044 1250382706 /nfs/dbraw/zinc/38/27/06/1250382706.db2.gz FPLGWPPQBFNQNJ-BRWVUGGUSA-N 1 3 362.518 0.635 20 0 FCADHO CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC000997884124 1251733955 /nfs/dbraw/zinc/73/39/55/1251733955.db2.gz BMNHKSUKCPZMNL-OWSLCNJRSA-N 1 3 362.518 0.917 20 0 FCADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998559023 1251910836 /nfs/dbraw/zinc/91/08/36/1251910836.db2.gz KTURLZZXTPJBGU-QZWWFDLISA-N 1 3 360.502 0.957 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000999012639 1252025323 /nfs/dbraw/zinc/02/53/23/1252025323.db2.gz JTSLNBTXTRBDSD-FSDCSDTHSA-N 1 3 359.474 0.851 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000999012639 1252025331 /nfs/dbraw/zinc/02/53/31/1252025331.db2.gz JTSLNBTXTRBDSD-FSDCSDTHSA-N 1 3 359.474 0.851 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392379 1253312157 /nfs/dbraw/zinc/31/21/57/1253312157.db2.gz TXJBQABFHJYJRH-HZMVEIRTSA-N 1 3 360.502 0.815 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001009636130 1253750455 /nfs/dbraw/zinc/75/04/55/1253750455.db2.gz NRJISJAZTDHCNZ-DOXZYTNZSA-N 1 3 359.474 0.649 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001009636130 1253750458 /nfs/dbraw/zinc/75/04/58/1253750458.db2.gz NRJISJAZTDHCNZ-DOXZYTNZSA-N 1 3 359.474 0.649 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CN(C)C(C)C)CC[N@@H+]1C ZINC001061651361 1254198120 /nfs/dbraw/zinc/19/81/20/1254198120.db2.gz OAQNGFZHTZEDBJ-YESZJQIVSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CN(C)C(C)C)CC[N@H+]1C ZINC001061651361 1254198125 /nfs/dbraw/zinc/19/81/25/1254198125.db2.gz OAQNGFZHTZEDBJ-YESZJQIVSA-N 1 3 368.522 0.401 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061675683 1254203396 /nfs/dbraw/zinc/20/33/96/1254203396.db2.gz SOGSRMFBVYZYOW-BZUAXINKSA-N 1 3 368.522 0.401 20 0 FCADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061675683 1254203401 /nfs/dbraw/zinc/20/34/01/1254203401.db2.gz SOGSRMFBVYZYOW-BZUAXINKSA-N 1 3 368.522 0.401 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001065212730 1254494778 /nfs/dbraw/zinc/49/47/78/1254494778.db2.gz UOXFVSGZOWNAFU-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001065212730 1254494782 /nfs/dbraw/zinc/49/47/82/1254494782.db2.gz UOXFVSGZOWNAFU-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978580 1255141812 /nfs/dbraw/zinc/14/18/12/1255141812.db2.gz KFRMIEVHOGTMLU-QXAKKESOSA-N 1 3 365.518 0.696 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)c1 ZINC001078224713 1255338302 /nfs/dbraw/zinc/33/83/02/1255338302.db2.gz WBNAYTSRNORBNM-RTBURBONSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)c1 ZINC001078224713 1255338309 /nfs/dbraw/zinc/33/83/09/1255338309.db2.gz WBNAYTSRNORBNM-RTBURBONSA-N 1 3 361.486 0.950 20 0 FCADHO C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037635 1255720063 /nfs/dbraw/zinc/72/00/63/1255720063.db2.gz PNIZSBPIRRRKJZ-IXDOHACOSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037635 1255720068 /nfs/dbraw/zinc/72/00/68/1255720068.db2.gz PNIZSBPIRRRKJZ-IXDOHACOSA-N 1 3 362.518 0.968 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001081150871 1256193278 /nfs/dbraw/zinc/19/32/78/1256193278.db2.gz IBYLGTACTSOUAU-FIKVRJJBSA-N 1 3 371.481 0.426 20 0 FCADHO CC[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213979 1256207438 /nfs/dbraw/zinc/20/74/38/1256207438.db2.gz YHFYYXWWXPVACT-RCCFBDPRSA-N 1 3 370.497 0.930 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001082522523 1256805269 /nfs/dbraw/zinc/80/52/69/1256805269.db2.gz MVZDLFFWVURRDM-YYIAUSFCSA-N 1 3 366.506 0.012 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001082522523 1256805278 /nfs/dbraw/zinc/80/52/78/1256805278.db2.gz MVZDLFFWVURRDM-YYIAUSFCSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082663433 1256966347 /nfs/dbraw/zinc/96/63/47/1256966347.db2.gz NZIFMKONHSVEPD-SUMDDJOVSA-N 1 3 362.518 0.920 20 0 FCADHO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@H]2C)on1 ZINC001082703181 1256995187 /nfs/dbraw/zinc/99/51/87/1256995187.db2.gz BWAJOYNBLMEGKO-BMFZPTHFSA-N 1 3 366.462 0.729 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936917 1257722162 /nfs/dbraw/zinc/72/21/62/1257722162.db2.gz BSYUUYINYBOKJN-OTWHNJEPSA-N 1 3 365.518 0.839 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001084090833 1257915581 /nfs/dbraw/zinc/91/55/81/1257915581.db2.gz KXSHQPNZTUVNPK-IPELMVKDSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001084090833 1257915589 /nfs/dbraw/zinc/91/55/89/1257915589.db2.gz KXSHQPNZTUVNPK-IPELMVKDSA-N 1 3 361.486 0.950 20 0 FCADHO O=C(N1C[C@H]2CCN(C[C@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778279 1258319996 /nfs/dbraw/zinc/31/99/96/1258319996.db2.gz OJONMVPBTMFLDW-BZUAXINKSA-N 1 3 356.474 0.394 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(CCn4cncn4)[C@H]3C2)CC[N@@H+]1C ZINC001085016899 1258521849 /nfs/dbraw/zinc/52/18/49/1258521849.db2.gz UQHAADHQXDPSLQ-MHORFTMASA-N 1 3 360.506 0.931 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(CCn4cncn4)[C@H]3C2)CC[N@H+]1C ZINC001085016899 1258521857 /nfs/dbraw/zinc/52/18/57/1258521857.db2.gz UQHAADHQXDPSLQ-MHORFTMASA-N 1 3 360.506 0.931 20 0 FCADHO C[NH+](C)[C@@](C)(C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1)c1ccccc1 ZINC001088166971 1258680978 /nfs/dbraw/zinc/68/09/78/1258680978.db2.gz AZICMWZLRJMFRV-GQIGUUNPSA-N 1 3 358.486 0.729 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106634623 1258930174 /nfs/dbraw/zinc/93/01/74/1258930174.db2.gz ILUCOVWBRMQXLP-JFIYKMOQSA-N 1 3 370.538 0.409 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665093 1258936146 /nfs/dbraw/zinc/93/61/46/1258936146.db2.gz HSPCUXLGYMBGRU-JFIYKMOQSA-N 1 3 368.522 0.308 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1)N(C)C ZINC001106673134 1258937945 /nfs/dbraw/zinc/93/79/45/1258937945.db2.gz DLVQOZXOKMJMHT-YUELXQCFSA-N 1 3 365.478 0.946 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001106704746 1258944070 /nfs/dbraw/zinc/94/40/70/1258944070.db2.gz BFEBSIDKKRACTG-ARFHVFGLSA-N 1 3 361.490 0.895 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC001106910991 1258994457 /nfs/dbraw/zinc/99/44/57/1258994457.db2.gz ZKHXTJZKWZJQBD-ZIAGYGMSSA-N 1 3 367.494 0.001 20 0 FCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570768 1259180134 /nfs/dbraw/zinc/18/01/34/1259180134.db2.gz FDIQJFAJABWKCE-UAGQMJEPSA-N 1 3 368.522 0.354 20 0 FCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570752 1259180581 /nfs/dbraw/zinc/18/05/81/1259180581.db2.gz DYFARJBOPOQTNI-ZACQAIPSSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001127659789 1259184523 /nfs/dbraw/zinc/18/45/23/1259184523.db2.gz KZPSYQGAAUVSDO-RHSMWYFYSA-N 1 3 364.465 0.830 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC001127659789 1259184530 /nfs/dbraw/zinc/18/45/30/1259184530.db2.gz KZPSYQGAAUVSDO-RHSMWYFYSA-N 1 3 364.465 0.830 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001127695253 1259184625 /nfs/dbraw/zinc/18/46/25/1259184625.db2.gz HAICZEBMQOHJSM-DLBZAZTESA-N 1 3 364.465 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001127695253 1259184628 /nfs/dbraw/zinc/18/46/28/1259184628.db2.gz HAICZEBMQOHJSM-DLBZAZTESA-N 1 3 364.465 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200554924 1259416424 /nfs/dbraw/zinc/41/64/24/1259416424.db2.gz MZYPCONTIXANBA-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200554924 1259416427 /nfs/dbraw/zinc/41/64/27/1259416427.db2.gz MZYPCONTIXANBA-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206122 1259569285 /nfs/dbraw/zinc/56/92/85/1259569285.db2.gz RSBWRKHQISQVDF-CABCVRRESA-N 1 3 371.476 0.951 20 0 FCADHO COC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214919 1259622971 /nfs/dbraw/zinc/62/29/71/1259622971.db2.gz IQVZQWVIXNMALY-SJORKVTESA-N 1 3 374.485 0.944 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1=O ZINC001335369730 1259629272 /nfs/dbraw/zinc/62/92/72/1259629272.db2.gz HOCZGQLZNJWLST-HZMVEIRTSA-N 1 3 350.507 0.585 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CNCC12CC2 ZINC001246129606 1259647723 /nfs/dbraw/zinc/64/77/23/1259647723.db2.gz GFHBCTGSQYDEKF-KGLIPLIRSA-N 1 3 374.489 0.334 20 0 FCADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCOCC3)C2)CCN1 ZINC001246157488 1259649562 /nfs/dbraw/zinc/64/95/62/1259649562.db2.gz OUTYXILFMWQTPT-BHIYHBOVSA-N 1 3 374.529 0.768 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566131 1259658025 /nfs/dbraw/zinc/65/80/25/1259658025.db2.gz FWFGBAMBHOJNDG-MGPQQGTHSA-N 1 3 362.478 0.272 20 0 FCADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745169 1259676532 /nfs/dbraw/zinc/67/65/32/1259676532.db2.gz MQYPUTBDAMGKGK-MIALQEHNSA-N 1 3 372.517 0.976 20 0 FCADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)CCN1 ZINC001246745169 1259676543 /nfs/dbraw/zinc/67/65/43/1259676543.db2.gz MQYPUTBDAMGKGK-MIALQEHNSA-N 1 3 372.517 0.976 20 0 FCADHO CN(C)C(=O)[C@]12C[N@@H+]([C@H]3CCCNC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744791 1259677245 /nfs/dbraw/zinc/67/72/45/1259677245.db2.gz LTTNGVJLRJGOJO-FRQCXROJSA-N 1 3 358.490 0.588 20 0 FCADHO CN(C)C(=O)[C@]12C[N@H+]([C@H]3CCCNC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001246744791 1259677255 /nfs/dbraw/zinc/67/72/55/1259677255.db2.gz LTTNGVJLRJGOJO-FRQCXROJSA-N 1 3 358.490 0.588 20 0 FCADHO O=C1N(Cc2cccnc2)CC[C@]12CCCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246752302 1259678813 /nfs/dbraw/zinc/67/88/13/1259678813.db2.gz ZCXZIUDIEKZDQS-QUCCMNQESA-N 1 3 369.513 0.990 20 0 FCADHO Cn1ccc(CN2CCOCC23CCN([C@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246751237 1259679885 /nfs/dbraw/zinc/67/98/85/1259679885.db2.gz YBHISXRHNICPGU-SFHVURJKSA-N 1 3 374.533 0.181 20 0 FCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762558 1259683564 /nfs/dbraw/zinc/68/35/64/1259683564.db2.gz CRKOVUBSJOZCQY-PSOLEGPJSA-N 1 3 361.490 0.627 20 0 FCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CCN1 ZINC001246762558 1259683573 /nfs/dbraw/zinc/68/35/73/1259683573.db2.gz CRKOVUBSJOZCQY-PSOLEGPJSA-N 1 3 361.490 0.627 20 0 FCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765215 1259684153 /nfs/dbraw/zinc/68/41/53/1259684153.db2.gz INISOKNCESDHCA-IQWQSGHPSA-N 1 3 359.474 0.684 20 0 FCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnccn4)[C@H]3C2)CCN1 ZINC001246765215 1259684160 /nfs/dbraw/zinc/68/41/60/1259684160.db2.gz INISOKNCESDHCA-IQWQSGHPSA-N 1 3 359.474 0.684 20 0 FCADHO CC(C)N1CCN(CC[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251453594 1259748443 /nfs/dbraw/zinc/74/84/43/1259748443.db2.gz QPLCVIHMNJCNCJ-IBGZPJMESA-N 1 3 370.538 0.974 20 0 FCADHO COc1ccc(OC[C@@H](O)CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001252718274 1259805354 /nfs/dbraw/zinc/80/53/54/1259805354.db2.gz PFAQFDHHVQZURJ-INIZCTEOSA-N 1 3 365.474 0.531 20 0 FCADHO O=C(CC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)NCCc1c[nH]cn1 ZINC001252949351 1259814580 /nfs/dbraw/zinc/81/45/80/1259814580.db2.gz KIAHRSYMHJBXSR-HXUWFJFHSA-N 1 3 371.485 0.685 20 0 FCADHO O=C(CC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)NCCc1cnc[nH]1 ZINC001252949351 1259814588 /nfs/dbraw/zinc/81/45/88/1259814588.db2.gz KIAHRSYMHJBXSR-HXUWFJFHSA-N 1 3 371.485 0.685 20 0 FCADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC001335988468 1259932871 /nfs/dbraw/zinc/93/28/71/1259932871.db2.gz WBIXRIKSRAQBRJ-MRXNPFEDSA-N 1 3 351.447 0.431 20 0 FCADHO CCCCC[N@H+](C)CCC(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001272741558 1260495040 /nfs/dbraw/zinc/49/50/40/1260495040.db2.gz IZATTZGYTLQHPO-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO CCCCC[N@@H+](C)CCC(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001272741558 1260495045 /nfs/dbraw/zinc/49/50/45/1260495045.db2.gz IZATTZGYTLQHPO-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001278273523 1260689596 /nfs/dbraw/zinc/68/95/96/1260689596.db2.gz YSMZUXAZZCRRAS-HOTGVXAUSA-N 1 3 360.458 0.446 20 0 FCADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001278273523 1260689602 /nfs/dbraw/zinc/68/96/02/1260689602.db2.gz YSMZUXAZZCRRAS-HOTGVXAUSA-N 1 3 360.458 0.446 20 0 FCADHO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001279571975 1260895074 /nfs/dbraw/zinc/89/50/74/1260895074.db2.gz DHESIGKSHWVBJT-UHFFFAOYSA-N 1 3 363.462 0.572 20 0 FCADHO C[C@H]1C[C@@H]1CN1CCC([NH+]2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001279825482 1260939157 /nfs/dbraw/zinc/93/91/57/1260939157.db2.gz XRZRQRLMZCEEPO-DZGCQCFKSA-N 1 3 361.494 0.981 20 0 FCADHO C[NH+]1CCC(CN2C[C@H]3CCCO[C@H]3[C@@H](C(=O)NCC3COC3)C2)CC1 ZINC001280126235 1261010455 /nfs/dbraw/zinc/01/04/55/1261010455.db2.gz UNKYEPPPVPBHAD-CEXWTWQISA-N 1 3 365.518 0.818 20 0 FCADHO C[C@@H]1Cc2nnc(C(=O)NCC(F)F)n2CCN1CC1CC[NH+](C)CC1 ZINC001280125397 1261010719 /nfs/dbraw/zinc/01/07/19/1261010719.db2.gz IMAYERXRRKIIQV-GFCCVEGCSA-N 1 3 370.448 0.861 20 0 FCADHO C[C@H]1Cc2nnc(C(=O)N3CC=CC3)n2CCN1CC1CC[NH+](C)CC1 ZINC001280125128 1261010744 /nfs/dbraw/zinc/01/07/44/1261010744.db2.gz DNLCRQYZQCEULN-HNNXBMFYSA-N 1 3 358.490 0.879 20 0 FCADHO C[NH+]1CCC(CCN2CC3(C[C@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280140365 1261014550 /nfs/dbraw/zinc/01/45/50/1261014550.db2.gz JKGMOXDVFCWUEN-INIZCTEOSA-N 1 3 358.490 0.674 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332964 1266378932 /nfs/dbraw/zinc/37/89/32/1266378932.db2.gz VWINNGZRPCTIHZ-HDICACEKSA-N 1 3 360.502 0.863 20 0 FCADHO Cc1cc(CN2C[C@@H]3C(=O)NC4(CC[NH+](C[C@H](C)O)CC4)[C@H]3C2)n(C)n1 ZINC001280188742 1261025760 /nfs/dbraw/zinc/02/57/60/1261025760.db2.gz JODHDCRLHCSQLS-XIRDDKMYSA-N 1 3 361.490 0.122 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2O)CCC1 ZINC001281683748 1261148377 /nfs/dbraw/zinc/14/83/77/1261148377.db2.gz GWJLWXDSVDIVAU-HZPDHXFCSA-N 1 3 366.506 0.035 20 0 FCADHO C[C@@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001332408199 1266395608 /nfs/dbraw/zinc/39/56/08/1266395608.db2.gz HIUGKQFZNSRBQS-SJORKVTESA-N 1 3 362.522 0.543 20 0 FCADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC001312013341 1263270383 /nfs/dbraw/zinc/27/03/83/1263270383.db2.gz RCVRURQXNJWFBA-MSOLQXFVSA-N 1 3 368.522 0.776 20 0 FCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671189 1263329387 /nfs/dbraw/zinc/32/93/87/1263329387.db2.gz ASKUTFADSBNJBI-IKGGRYGDSA-N 1 3 355.523 0.752 20 0 FCADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001479671189 1263329398 /nfs/dbraw/zinc/32/93/98/1263329398.db2.gz ASKUTFADSBNJBI-IKGGRYGDSA-N 1 3 355.523 0.752 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1)N(C)C ZINC001479672228 1263332266 /nfs/dbraw/zinc/33/22/66/1263332266.db2.gz DZXVNZBIBSDROG-IKGGRYGDSA-N 1 3 367.538 0.815 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)NC(C)C)CC[C@@H]2C1)N(C)C ZINC001479672228 1263332276 /nfs/dbraw/zinc/33/22/76/1263332276.db2.gz DZXVNZBIBSDROG-IKGGRYGDSA-N 1 3 367.538 0.815 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001484406988 1263470366 /nfs/dbraw/zinc/47/03/66/1263470366.db2.gz KTSILSNYNBWEDW-WCXIOVBPSA-N 1 3 365.522 0.424 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001484406988 1263470367 /nfs/dbraw/zinc/47/03/67/1263470367.db2.gz KTSILSNYNBWEDW-WCXIOVBPSA-N 1 3 365.522 0.424 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1(C)C ZINC001322960090 1264302093 /nfs/dbraw/zinc/30/20/93/1264302093.db2.gz XOSVANBMYBJHSX-JKSUJKDBSA-N 1 3 367.538 0.118 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580402626 1278231243 /nfs/dbraw/zinc/23/12/43/1278231243.db2.gz CXBSYFZBVSDXFO-GFCCVEGCSA-N 1 3 373.436 0.696 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001323615535 1264468596 /nfs/dbraw/zinc/46/85/96/1264468596.db2.gz KNYPVRXXYSZATH-CEXWTWQISA-N 1 3 372.513 0.783 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001580404196 1278237671 /nfs/dbraw/zinc/23/76/71/1278237671.db2.gz WIIZFUIKMWHGDD-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001580404196 1278237683 /nfs/dbraw/zinc/23/76/83/1278237683.db2.gz WIIZFUIKMWHGDD-YPMHNXCESA-N 1 3 361.425 0.552 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC001325665575 1264964394 /nfs/dbraw/zinc/96/43/94/1264964394.db2.gz FRGCDRSXYHYBPM-GOSISDBHSA-N 1 3 361.490 0.303 20 0 FCADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(CN[C@@H]2CCC[C@@H]2C(=O)OC)COC1 ZINC001326571255 1265137189 /nfs/dbraw/zinc/13/71/89/1265137189.db2.gz FVJDTRDCLJYMND-SYMSYNOKSA-N 1 3 368.474 0.866 20 0 FCADHO COC(=O)[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)COC1 ZINC001326571255 1265137191 /nfs/dbraw/zinc/13/71/91/1265137191.db2.gz FVJDTRDCLJYMND-SYMSYNOKSA-N 1 3 368.474 0.866 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326608325 1265142992 /nfs/dbraw/zinc/14/29/92/1265142992.db2.gz PLBOGFHDOSURLS-FCEWJHQRSA-N 1 3 366.506 0.143 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)Cc1ccco1 ZINC001327197495 1265250697 /nfs/dbraw/zinc/25/06/97/1265250697.db2.gz CGAUPTIGVNIHQC-MRXNPFEDSA-N 1 3 364.490 0.970 20 0 FCADHO COC(=O)[C@@H]1CN(C)CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001333039608 1266528103 /nfs/dbraw/zinc/52/81/03/1266528103.db2.gz XCYINBYPBFUGRH-UYAOXDASSA-N 1 3 361.486 0.660 20 0 FCADHO COC(=O)[C@@H]1CN(C)CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001333039608 1266528108 /nfs/dbraw/zinc/52/81/08/1266528108.db2.gz XCYINBYPBFUGRH-UYAOXDASSA-N 1 3 361.486 0.660 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001335138924 1267358669 /nfs/dbraw/zinc/35/86/69/1267358669.db2.gz YPONVKIPSXUOIK-YQQAZPJKSA-N 1 3 357.458 0.281 20 0 FCADHO O=C(NCc1cn(C2CC[NH2+]CC2)nn1)NC[C@@H]1NCCc2ccccc21 ZINC001549209094 1267857463 /nfs/dbraw/zinc/85/74/63/1267857463.db2.gz GUTFUUHIYFGWMW-SFHVURJKSA-N 1 3 369.473 0.889 20 0 FCADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549739305 1267984885 /nfs/dbraw/zinc/98/48/85/1267984885.db2.gz OWBONCLDJUTHOU-ZWOKBUDYSA-N 1 3 356.470 0.984 20 0 FCADHO CN1CCN(c2cc(C(=O)N3CC[C@H](N4CC[NH+](C)CC4)C3)ccn2)CC1 ZINC001550006200 1268043785 /nfs/dbraw/zinc/04/37/85/1268043785.db2.gz ZECIBMZTIHVTLC-SFHVURJKSA-N 1 3 372.517 0.295 20 0 FCADHO NCc1cn([C@H]2CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C2)nn1 ZINC001550269788 1268101939 /nfs/dbraw/zinc/10/19/39/1268101939.db2.gz IOMDKJOPDRYPCJ-KRWDZBQOSA-N 1 3 361.494 0.815 20 0 FCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)N(C)C1 ZINC001550284095 1268104559 /nfs/dbraw/zinc/10/45/59/1268104559.db2.gz WPTIBACBVAXERB-ARFHVFGLSA-N 1 3 354.495 0.506 20 0 FCADHO Cn1nccc1[C@@H]1[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1C1CC1 ZINC001550704552 1268153443 /nfs/dbraw/zinc/15/34/43/1268153443.db2.gz ZUMGYSXUZZXWDG-GJYPPUQNSA-N 1 3 373.501 0.973 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001550733618 1268157776 /nfs/dbraw/zinc/15/77/76/1268157776.db2.gz XAKPDGNSHFIJJP-PQUAAJSLSA-N 1 3 354.495 0.698 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001339151176 1268175753 /nfs/dbraw/zinc/17/57/53/1268175753.db2.gz AOMOCGSUYZMEIY-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339151176 1268175757 /nfs/dbraw/zinc/17/57/57/1268175757.db2.gz AOMOCGSUYZMEIY-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001550979683 1268188650 /nfs/dbraw/zinc/18/86/50/1268188650.db2.gz BVLJUQMZQLMUJW-PVAVHDDUSA-N 1 3 354.495 0.336 20 0 FCADHO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001550979683 1268188655 /nfs/dbraw/zinc/18/86/55/1268188655.db2.gz BVLJUQMZQLMUJW-PVAVHDDUSA-N 1 3 354.495 0.336 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551499073 1268261728 /nfs/dbraw/zinc/26/17/28/1268261728.db2.gz WBUYZTSMUJVJOG-JBCIKUTRSA-N 1 3 354.495 0.778 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551496151 1268261746 /nfs/dbraw/zinc/26/17/46/1268261746.db2.gz RBLNJAOXMUEVEB-KURKYZTESA-N 1 3 371.485 0.559 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551560790 1268271024 /nfs/dbraw/zinc/27/10/24/1268271024.db2.gz LXXUWIAFBRRVRF-MRVWCRGKSA-N 1 3 350.385 0.500 20 0 FCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(CCO)CC2)C1 ZINC001552015291 1268352143 /nfs/dbraw/zinc/35/21/43/1268352143.db2.gz ZZUOSVRTAYCZIK-IAGOWNOFSA-N 1 3 354.495 0.338 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202138 1268408356 /nfs/dbraw/zinc/40/83/56/1268408356.db2.gz AXPHBGPZOLLMDQ-CTNGQTDRSA-N 1 3 372.513 0.676 20 0 FCADHO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001552214954 1268412602 /nfs/dbraw/zinc/41/26/02/1268412602.db2.gz XIJAICLKNRELRX-KGLIPLIRSA-N 1 3 364.450 0.036 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001552250985 1268421613 /nfs/dbraw/zinc/42/16/13/1268421613.db2.gz FCXMHSYSEOOICO-NJAFHUGGSA-N 1 3 358.486 0.910 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001552250985 1268421619 /nfs/dbraw/zinc/42/16/19/1268421619.db2.gz FCXMHSYSEOOICO-NJAFHUGGSA-N 1 3 358.486 0.910 20 0 FCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(CN)nn4)C3)C[C@H]2C1 ZINC001552337673 1268444848 /nfs/dbraw/zinc/44/48/48/1268444848.db2.gz GEJPVIJHAXPXTB-JKQORVJESA-N 1 3 361.494 0.814 20 0 FCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCC[C@H](n4cc(CN)nn4)C3)C[C@H]2C1 ZINC001552337673 1268444854 /nfs/dbraw/zinc/44/48/54/1268444854.db2.gz GEJPVIJHAXPXTB-JKQORVJESA-N 1 3 361.494 0.814 20 0 FCADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001340185180 1268463289 /nfs/dbraw/zinc/46/32/89/1268463289.db2.gz RWVJMIDYJUOTJA-HLLBOEOZSA-N 1 3 356.511 0.482 20 0 FCADHO [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)nn1 ZINC001552701108 1268524277 /nfs/dbraw/zinc/52/42/77/1268524277.db2.gz NPXINLYZJYEUNE-ZMSDIMECSA-N 1 3 362.478 0.704 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996634 1268574632 /nfs/dbraw/zinc/57/46/32/1268574632.db2.gz JSHFJGCFYRCCNT-KMOPNRPKSA-N 1 3 368.522 0.486 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996634 1268574637 /nfs/dbraw/zinc/57/46/37/1268574637.db2.gz JSHFJGCFYRCCNT-KMOPNRPKSA-N 1 3 368.522 0.486 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@@]23CC[C@H]2CC[NH2+]3)CC1 ZINC001553541196 1268666052 /nfs/dbraw/zinc/66/60/52/1268666052.db2.gz KAKPDKFTKHIUQL-YJBOKZPZSA-N 1 3 363.506 0.644 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CCC[NH2+]C[C@H]2F)CC1 ZINC001553546269 1268666908 /nfs/dbraw/zinc/66/69/08/1268666908.db2.gz GKJIUOAXJMXSOU-CABCVRRESA-N 1 3 369.485 0.592 20 0 FCADHO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC001556855028 1268900037 /nfs/dbraw/zinc/90/00/37/1268900037.db2.gz NZJUYZLSBGKYLC-CABCVRRESA-N 1 3 372.510 0.404 20 0 FCADHO Cn1c(C2=NO[C@@H](CO)C2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001341578153 1269093737 /nfs/dbraw/zinc/09/37/37/1269093737.db2.gz ABPFOLJRUQIFJU-OAHLLOKOSA-N 1 3 356.430 0.623 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O)N(C)C ZINC001341827783 1269233313 /nfs/dbraw/zinc/23/33/13/1269233313.db2.gz UVARMTNRCRWCFE-IXDOHACOSA-N 1 3 368.522 0.135 20 0 FCADHO CC(C)N(C[C@@H](O)CO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001563842968 1269399126 /nfs/dbraw/zinc/39/91/26/1269399126.db2.gz RCDLJJAUCMYLKF-QGZVFWFLSA-N 1 3 356.511 0.318 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001343115358 1269780227 /nfs/dbraw/zinc/78/02/27/1269780227.db2.gz BPNIBHZRUAXWRO-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001343115358 1269780232 /nfs/dbraw/zinc/78/02/32/1269780232.db2.gz BPNIBHZRUAXWRO-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001573067002 1270588924 /nfs/dbraw/zinc/58/89/24/1270588924.db2.gz LBVUZSGAPKHOHY-GVDBMIGSSA-N 1 3 362.518 0.729 20 0 FCADHO Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001580621383 1278573925 /nfs/dbraw/zinc/57/39/25/1278573925.db2.gz VLYHWWWTCRMQNR-HZPDHXFCSA-N 1 3 371.489 0.987 20 0 FCADHO Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001580621383 1278573936 /nfs/dbraw/zinc/57/39/36/1278573936.db2.gz VLYHWWWTCRMQNR-HZPDHXFCSA-N 1 3 371.489 0.987 20 0 FCADHO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574259913 1271129506 /nfs/dbraw/zinc/12/95/06/1271129506.db2.gz BQDZXLAUXDISJI-NSHDSACASA-N 1 3 351.480 0.863 20 0 FCADHO CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574259913 1271129507 /nfs/dbraw/zinc/12/95/07/1271129507.db2.gz BQDZXLAUXDISJI-NSHDSACASA-N 1 3 351.480 0.863 20 0 FCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574593889 1271394073 /nfs/dbraw/zinc/39/40/73/1271394073.db2.gz WJLGLHHBSQJGLZ-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574593889 1271394075 /nfs/dbraw/zinc/39/40/75/1271394075.db2.gz WJLGLHHBSQJGLZ-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574781078 1271514483 /nfs/dbraw/zinc/51/44/83/1271514483.db2.gz HAAAKDJXRHUHEX-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@@H](C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574781078 1271514486 /nfs/dbraw/zinc/51/44/86/1271514486.db2.gz HAAAKDJXRHUHEX-LBPRGKRZSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574853274 1271601552 /nfs/dbraw/zinc/60/15/52/1271601552.db2.gz MHXXHPGAFXGALN-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574853274 1271601556 /nfs/dbraw/zinc/60/15/56/1271601556.db2.gz MHXXHPGAFXGALN-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574853275 1271602456 /nfs/dbraw/zinc/60/24/56/1271602456.db2.gz MHXXHPGAFXGALN-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574853275 1271602465 /nfs/dbraw/zinc/60/24/65/1271602465.db2.gz MHXXHPGAFXGALN-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574854626 1271607342 /nfs/dbraw/zinc/60/73/42/1271607342.db2.gz RFVSQFZUTKTAEU-GFCCVEGCSA-N 1 3 373.436 0.696 20 0 FCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896672 1271659601 /nfs/dbraw/zinc/65/96/01/1271659601.db2.gz GGRVIWKBMQIMQY-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574896672 1271659612 /nfs/dbraw/zinc/65/96/12/1271659612.db2.gz GGRVIWKBMQIMQY-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896672 1271659618 /nfs/dbraw/zinc/65/96/18/1271659618.db2.gz GGRVIWKBMQIMQY-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574896672 1271659623 /nfs/dbraw/zinc/65/96/23/1271659623.db2.gz GGRVIWKBMQIMQY-KGLIPLIRSA-N 1 3 357.462 0.803 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCC[C@@](N)(CO)C2)CC1 ZINC001575172695 1271763224 /nfs/dbraw/zinc/76/32/24/1271763224.db2.gz OBDJQCVHBVRPFJ-QAPCUYQASA-N 1 3 357.495 0.780 20 0 FCADHO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2CCC[C@@](N)(CO)C2)CC1 ZINC001575172695 1271763229 /nfs/dbraw/zinc/76/32/29/1271763229.db2.gz OBDJQCVHBVRPFJ-QAPCUYQASA-N 1 3 357.495 0.780 20 0 FCADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575403513 1272053843 /nfs/dbraw/zinc/05/38/43/1272053843.db2.gz WTGSZZZDWNNNSP-KBPBESRZSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575403513 1272053852 /nfs/dbraw/zinc/05/38/52/1272053852.db2.gz WTGSZZZDWNNNSP-KBPBESRZSA-N 1 3 369.473 0.945 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001575419657 1272074312 /nfs/dbraw/zinc/07/43/12/1272074312.db2.gz CSKNAMQUYVWPDP-KRWDZBQOSA-N 1 3 363.510 0.301 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN1CCN(Cc2c[nH]nn2)CC1 ZINC001575419657 1272074325 /nfs/dbraw/zinc/07/43/25/1272074325.db2.gz CSKNAMQUYVWPDP-KRWDZBQOSA-N 1 3 363.510 0.301 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576247419 1273030246 /nfs/dbraw/zinc/03/02/46/1273030246.db2.gz PGGDVALKDNIHMS-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)CN)C1 ZINC001576259804 1273048641 /nfs/dbraw/zinc/04/86/41/1273048641.db2.gz RIYKYAHUGFSMOW-SUMWQHHRSA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](C[C@](C)(O)CN)C1 ZINC001576259804 1273048651 /nfs/dbraw/zinc/04/86/51/1273048651.db2.gz RIYKYAHUGFSMOW-SUMWQHHRSA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@](C)(O)C[NH3+])C1 ZINC001576259804 1273048660 /nfs/dbraw/zinc/04/86/60/1273048660.db2.gz RIYKYAHUGFSMOW-SUMWQHHRSA-N 1 3 358.483 0.049 20 0 FCADHO C[C@]1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CNCCO1 ZINC001576510964 1273385942 /nfs/dbraw/zinc/38/59/42/1273385942.db2.gz KBTYCDCAWUEFCX-GOSISDBHSA-N 1 3 354.495 0.555 20 0 FCADHO C[C@@H]1CCCN1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCS(=O)CC1 ZINC001576715144 1273585467 /nfs/dbraw/zinc/58/54/67/1273585467.db2.gz SXJGSYJVSHZVSH-KFWWJZLASA-N 1 3 366.535 0.536 20 0 FCADHO C[N@H+](CCC(=O)N[C@@H]1CN(CCc2c[nH]nn2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695474 /nfs/dbraw/zinc/69/54/74/1273695474.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 1 3 364.494 0.163 20 0 FCADHO C[N@@H+](CCC(=O)N[C@@H]1CN(CCc2c[nH]nn2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695485 /nfs/dbraw/zinc/69/54/85/1273695485.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 1 3 364.494 0.163 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794620 1273697789 /nfs/dbraw/zinc/69/77/89/1273697789.db2.gz FCKFYVMWBRUPHP-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794620 1273697798 /nfs/dbraw/zinc/69/77/98/1273697798.db2.gz FCKFYVMWBRUPHP-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794620 1273697803 /nfs/dbraw/zinc/69/78/03/1273697803.db2.gz FCKFYVMWBRUPHP-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794620 1273697809 /nfs/dbraw/zinc/69/78/09/1273697809.db2.gz FCKFYVMWBRUPHP-HZPDHXFCSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H]1CN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H]1[NH3+] ZINC001576828553 1273754626 /nfs/dbraw/zinc/75/46/26/1273754626.db2.gz IHNKCSFPNPHLDR-HOCLYGCPSA-N 1 3 361.538 0.965 20 0 FCADHO CO[C@@H]1CN(CCc2c[nH]nn2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001577040298 1274103263 /nfs/dbraw/zinc/10/32/63/1274103263.db2.gz LLUJMUNYEFXXRI-IAGOWNOFSA-N 1 3 364.494 0.283 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)NC[C@]2(C)C[NH2+]CCO2)CC1 ZINC001577230281 1274266018 /nfs/dbraw/zinc/26/60/18/1274266018.db2.gz FMEFKZZCBNGZDY-KRWDZBQOSA-N 1 3 354.495 0.651 20 0 FCADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCC[NH3+])CC1 ZINC001577684700 1274738546 /nfs/dbraw/zinc/73/85/46/1274738546.db2.gz IALJQFDZUHCVAK-UHFFFAOYSA-N 1 3 363.510 0.495 20 0 FCADHO CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@H]1C ZINC001577759518 1274839461 /nfs/dbraw/zinc/83/94/61/1274839461.db2.gz GZBAQKLTONMWRY-MCIONIFRSA-N 1 3 351.499 0.682 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577872198 1275061567 /nfs/dbraw/zinc/06/15/67/1275061567.db2.gz WDYOIGQJZTWPGJ-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577872198 1275061571 /nfs/dbraw/zinc/06/15/71/1275061571.db2.gz WDYOIGQJZTWPGJ-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577872198 1275061576 /nfs/dbraw/zinc/06/15/76/1275061576.db2.gz WDYOIGQJZTWPGJ-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577872198 1275061582 /nfs/dbraw/zinc/06/15/82/1275061582.db2.gz WDYOIGQJZTWPGJ-WKILWMFISA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nnn[n-]1 ZINC001577934498 1275149066 /nfs/dbraw/zinc/14/90/66/1275149066.db2.gz TYGPJVJVMZJESV-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nnn[n-]1 ZINC001577934498 1275149069 /nfs/dbraw/zinc/14/90/69/1275149069.db2.gz TYGPJVJVMZJESV-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577975405 1275201385 /nfs/dbraw/zinc/20/13/85/1275201385.db2.gz BBJFUXAXOXVXOJ-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577975405 1275201393 /nfs/dbraw/zinc/20/13/93/1275201393.db2.gz BBJFUXAXOXVXOJ-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001577992915 1275237471 /nfs/dbraw/zinc/23/74/71/1275237471.db2.gz DPEUNRTULTUAJR-HZPDHXFCSA-N 1 3 362.478 0.577 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001577992915 1275237480 /nfs/dbraw/zinc/23/74/80/1275237480.db2.gz DPEUNRTULTUAJR-HZPDHXFCSA-N 1 3 362.478 0.577 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001577992914 1275238220 /nfs/dbraw/zinc/23/82/20/1275238220.db2.gz DPEUNRTULTUAJR-HOTGVXAUSA-N 1 3 362.478 0.577 20 0 FCADHO O=C(NCC1(NCc2c[nH]nn2)CCOCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001577992914 1275238227 /nfs/dbraw/zinc/23/82/27/1275238227.db2.gz DPEUNRTULTUAJR-HOTGVXAUSA-N 1 3 362.478 0.577 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001578397583 1275772348 /nfs/dbraw/zinc/77/23/48/1275772348.db2.gz RGJXDHINBDKCKB-LSDHHAIUSA-N 1 3 353.511 0.616 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001578418934 1275787598 /nfs/dbraw/zinc/78/75/98/1275787598.db2.gz QRZIAHWAXXWISM-OAHLLOKOSA-N 1 3 352.504 0.836 20 0 FCADHO CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578972942 1276518896 /nfs/dbraw/zinc/51/88/96/1276518896.db2.gz GDUHCUCCEPDSCB-UHFFFAOYSA-N 1 3 357.462 0.897 20 0 FCADHO CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578972942 1276518897 /nfs/dbraw/zinc/51/88/97/1276518897.db2.gz GDUHCUCCEPDSCB-UHFFFAOYSA-N 1 3 357.462 0.897 20 0 FCADHO C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578975778 1276526142 /nfs/dbraw/zinc/52/61/42/1276526142.db2.gz ICRPNRQGOOUBPV-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578975778 1276526147 /nfs/dbraw/zinc/52/61/47/1276526147.db2.gz ICRPNRQGOOUBPV-UHFFFAOYSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001578977408 1276532243 /nfs/dbraw/zinc/53/22/43/1276532243.db2.gz NWLWLPAJUJXRIM-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001578977408 1276532246 /nfs/dbraw/zinc/53/22/46/1276532246.db2.gz NWLWLPAJUJXRIM-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001578980133 1276540362 /nfs/dbraw/zinc/54/03/62/1276540362.db2.gz BCXINXZOGUYSSI-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001578980133 1276540365 /nfs/dbraw/zinc/54/03/65/1276540365.db2.gz BCXINXZOGUYSSI-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001578980133 1276540370 /nfs/dbraw/zinc/54/03/70/1276540370.db2.gz BCXINXZOGUYSSI-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001578980133 1276540374 /nfs/dbraw/zinc/54/03/74/1276540374.db2.gz BCXINXZOGUYSSI-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037170 1276620098 /nfs/dbraw/zinc/62/00/98/1276620098.db2.gz IRELVHVIISYJGC-HRCADAONSA-N 1 3 354.495 0.047 20 0 FCADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001579037170 1276620111 /nfs/dbraw/zinc/62/01/11/1276620111.db2.gz IRELVHVIISYJGC-HRCADAONSA-N 1 3 354.495 0.047 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327895 1277154248 /nfs/dbraw/zinc/15/42/48/1277154248.db2.gz YKFFTTQOYOVANM-HOTGVXAUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579327895 1277154250 /nfs/dbraw/zinc/15/42/50/1277154250.db2.gz YKFFTTQOYOVANM-HOTGVXAUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327895 1277154253 /nfs/dbraw/zinc/15/42/53/1277154253.db2.gz YKFFTTQOYOVANM-HOTGVXAUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579327895 1277154254 /nfs/dbraw/zinc/15/42/54/1277154254.db2.gz YKFFTTQOYOVANM-HOTGVXAUSA-N 1 3 369.473 0.899 20 0 FCADHO CS[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1N1CCCC1 ZINC001579370483 1277253438 /nfs/dbraw/zinc/25/34/38/1277253438.db2.gz QXLPOTBQFIZYJN-CABCVRRESA-N 1 3 352.508 0.669 20 0 FCADHO NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCC2)C1 ZINC001580089106 1278003884 /nfs/dbraw/zinc/00/38/84/1278003884.db2.gz KFXYKWFUXNUMTL-GJZGRUSLSA-N 1 3 361.494 0.500 20 0 FCADHO Cc1cc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580958799 1279161606 /nfs/dbraw/zinc/16/16/06/1279161606.db2.gz KZLGNADIYMDOOC-XJKSGUPXSA-N 1 3 372.477 0.851 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001581809054 1280550754 /nfs/dbraw/zinc/55/07/54/1280550754.db2.gz BSTACBWNERYHLT-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001581809054 1280550760 /nfs/dbraw/zinc/55/07/60/1280550760.db2.gz BSTACBWNERYHLT-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@H+](C)CC1 ZINC001589956958 1283146972 /nfs/dbraw/zinc/14/69/72/1283146972.db2.gz FBVSJYWQMSTBKJ-BBRMVZONSA-N 1 3 358.446 0.846 20 0 FCADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1=CC[N@@H+](C)CC1 ZINC001589956958 1283146976 /nfs/dbraw/zinc/14/69/76/1283146976.db2.gz FBVSJYWQMSTBKJ-BBRMVZONSA-N 1 3 358.446 0.846 20 0 FCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC001590376731 1283509402 /nfs/dbraw/zinc/50/94/02/1283509402.db2.gz LNPCGXJPODPRIL-JTQLQIEISA-N 1 3 363.470 0.847 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001719066780 1287648315 /nfs/dbraw/zinc/64/83/15/1287648315.db2.gz UFDZFCVHPUNMEB-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001719066780 1287648324 /nfs/dbraw/zinc/64/83/24/1287648324.db2.gz UFDZFCVHPUNMEB-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CCN(CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)CC[NH+](C)C ZINC001590711314 1283745890 /nfs/dbraw/zinc/74/58/90/1283745890.db2.gz NGYVVVVIFDKYJM-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001683308307 1283938715 /nfs/dbraw/zinc/93/87/15/1283938715.db2.gz PVQCVHQYJAHATN-BZUAXINKSA-N 1 3 366.506 0.012 20 0 FCADHO Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001591879014 1284966348 /nfs/dbraw/zinc/96/63/48/1284966348.db2.gz YYVXCEPQZGDPKF-HUUCEWRRSA-N 1 3 372.477 0.382 20 0 FCADHO Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001591879014 1284966354 /nfs/dbraw/zinc/96/63/54/1284966354.db2.gz YYVXCEPQZGDPKF-HUUCEWRRSA-N 1 3 372.477 0.382 20 0 FCADHO Cc1cc(NCCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047168 1285091128 /nfs/dbraw/zinc/09/11/28/1285091128.db2.gz KGARKCIOHJLWCL-CYBMUJFWSA-N 1 3 372.477 0.594 20 0 FCADHO Cc1cc(NCCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592047168 1285091139 /nfs/dbraw/zinc/09/11/39/1285091139.db2.gz KGARKCIOHJLWCL-CYBMUJFWSA-N 1 3 372.477 0.594 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1O ZINC001719120214 1287778841 /nfs/dbraw/zinc/77/88/41/1287778841.db2.gz OWFBPTJPBLLAJY-BRWVUGGUSA-N 1 3 368.522 0.281 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3(N(C)C)CCC3)CC2)CC[N@@H+]1C ZINC001703496902 1286113279 /nfs/dbraw/zinc/11/32/79/1286113279.db2.gz DZNIROQXDHBUMM-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)C3(N(C)C)CCC3)CC2)CC[N@H+]1C ZINC001703496902 1286113283 /nfs/dbraw/zinc/11/32/83/1286113283.db2.gz DZNIROQXDHBUMM-GDBMZVCRSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)NC(=O)NC ZINC001707166374 1286487663 /nfs/dbraw/zinc/48/76/63/1286487663.db2.gz WNCZJCKUMIUPFS-KFWWJZLASA-N 1 3 369.510 0.389 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(=O)NC(=O)NC ZINC001707166374 1286487666 /nfs/dbraw/zinc/48/76/66/1286487666.db2.gz WNCZJCKUMIUPFS-KFWWJZLASA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@@H+]1C ZINC001605431707 1287960335 /nfs/dbraw/zinc/96/03/35/1287960335.db2.gz BMOWDFINLXIJJL-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@H+]1C ZINC001605431707 1287960341 /nfs/dbraw/zinc/96/03/41/1287960341.db2.gz BMOWDFINLXIJJL-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@@H+]1C ZINC001605431707 1287960346 /nfs/dbraw/zinc/96/03/46/1287960346.db2.gz BMOWDFINLXIJJL-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@H+]1C ZINC001605431707 1287960355 /nfs/dbraw/zinc/96/03/55/1287960355.db2.gz BMOWDFINLXIJJL-VDNDLQMASA-N 1 3 369.473 0.944 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001605737784 1288068329 /nfs/dbraw/zinc/06/83/29/1288068329.db2.gz RTJXXUUBFQNIJR-DOMZBBRYSA-N 1 3 360.466 0.495 20 0 FCADHO Cc1cc(NC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001605737785 1288068826 /nfs/dbraw/zinc/06/88/26/1288068826.db2.gz RTJXXUUBFQNIJR-SWLSCSKDSA-N 1 3 360.466 0.495 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCO[C@@H](C)C3)CCC2)CC[N@@H+]1C ZINC001724786353 1288449785 /nfs/dbraw/zinc/44/97/85/1288449785.db2.gz PITCFPVGWUBIED-ARFHVFGLSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCO[C@@H](C)C3)CCC2)CC[N@H+]1C ZINC001724786353 1288449793 /nfs/dbraw/zinc/44/97/93/1288449793.db2.gz PITCFPVGWUBIED-ARFHVFGLSA-N 1 3 366.506 0.202 20 0 FCADHO C[N@@H+]1C[C@H](C(=O)NC[C@@H](O)CNCc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655479 1288590118 /nfs/dbraw/zinc/59/01/18/1288590118.db2.gz BKLABGGSDMMDLN-ZCNNSNEGSA-N 1 3 368.481 0.994 20 0 FCADHO C[N@H+]1C[C@H](C(=O)NC[C@@H](O)CNCc2ccccn2)[C@@H](c2ccccc2)C1 ZINC001732655479 1288590125 /nfs/dbraw/zinc/59/01/25/1288590125.db2.gz BKLABGGSDMMDLN-ZCNNSNEGSA-N 1 3 368.481 0.994 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(CCNC(=O)C4CC4)C3)C2)CC[N@@H+]1C ZINC001733296895 1288608069 /nfs/dbraw/zinc/60/80/69/1288608069.db2.gz UOUHOXOFRUIDDS-MDYRTPRTSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(CCNC(=O)C4CC4)C3)C2)CC[N@H+]1C ZINC001733296895 1288608070 /nfs/dbraw/zinc/60/80/70/1288608070.db2.gz UOUHOXOFRUIDDS-MDYRTPRTSA-N 1 3 362.518 0.777 20 0 FCADHO OC[C@@H]([NH2+]Cc1cc(C[NH2+][C@H](CO)C2CC2)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001607103075 1288663562 /nfs/dbraw/zinc/66/35/62/1288663562.db2.gz MOSCMWWXSPFBQV-QZTJIDSGSA-N 1 3 372.473 0.588 20 0 FCADHO OC[C@@H]([NH2+]Cc1cc(C[NH2+][C@H](CO)C2CC2)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001607103075 1288663567 /nfs/dbraw/zinc/66/35/67/1288663567.db2.gz MOSCMWWXSPFBQV-QZTJIDSGSA-N 1 3 372.473 0.588 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001698721750 1289533705 /nfs/dbraw/zinc/53/37/05/1289533705.db2.gz RZFFLKAELRPLNC-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001698721750 1289533715 /nfs/dbraw/zinc/53/37/15/1289533715.db2.gz RZFFLKAELRPLNC-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO Cc1cc(NC(=O)CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001699102100 1289546519 /nfs/dbraw/zinc/54/65/19/1289546519.db2.gz HHVJGANSXABLHS-MRVWCRGKSA-N 1 3 351.451 0.746 20 0 FCADHO Cc1cc(NC(=O)CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001699102100 1289546522 /nfs/dbraw/zinc/54/65/22/1289546522.db2.gz HHVJGANSXABLHS-MRVWCRGKSA-N 1 3 351.451 0.746 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)C1 ZINC001757182572 1290732688 /nfs/dbraw/zinc/73/26/88/1290732688.db2.gz GAUOWGXMJWMLOH-ZACQAIPSSA-N 1 3 368.522 0.137 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)C1 ZINC001757182572 1290732693 /nfs/dbraw/zinc/73/26/93/1290732693.db2.gz GAUOWGXMJWMLOH-ZACQAIPSSA-N 1 3 368.522 0.137 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC001664876050 1291820597 /nfs/dbraw/zinc/82/05/97/1291820597.db2.gz JQHKOTQSJCCQBQ-NVXWUHKLSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC001664876050 1291820610 /nfs/dbraw/zinc/82/06/10/1291820610.db2.gz JQHKOTQSJCCQBQ-NVXWUHKLSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H](CNCC(=O)Nc1nncs1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666553022 1291913681 /nfs/dbraw/zinc/91/36/81/1291913681.db2.gz NDTLOYUTXLZTKA-IJLUTSLNSA-N 1 3 354.480 0.159 20 0 FCADHO C[C@H](CNCC(=O)Nc1nncs1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001666553022 1291913687 /nfs/dbraw/zinc/91/36/87/1291913687.db2.gz NDTLOYUTXLZTKA-IJLUTSLNSA-N 1 3 354.480 0.159 20 0 FCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C)N(C)C ZINC001685342370 1292503934 /nfs/dbraw/zinc/50/39/34/1292503934.db2.gz AIUSNQKATLEAQA-OWCLPIDISA-N 1 3 350.507 0.774 20 0 FCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](OCC)C1 ZINC001689065441 1294588389 /nfs/dbraw/zinc/58/83/89/1294588389.db2.gz LRINNWRUYAZILX-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNCC(=O)N2CCC2)C1 ZINC001689098382 1294615570 /nfs/dbraw/zinc/61/55/70/1294615570.db2.gz KROSYKHTGSWSLB-WBVHZDCISA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(N)=O)[NH+](CC)CC ZINC001689100249 1294617382 /nfs/dbraw/zinc/61/73/82/1294617382.db2.gz UBELAJJMOBXOBN-QLFBSQMISA-N 1 3 369.510 0.518 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001689350190 1294768710 /nfs/dbraw/zinc/76/87/10/1294768710.db2.gz WQPOHYLNFXEXRI-BUWFCSEKSA-N 1 3 350.507 0.990 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001689350190 1294768719 /nfs/dbraw/zinc/76/87/19/1294768719.db2.gz WQPOHYLNFXEXRI-BUWFCSEKSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001691837716 1294936167 /nfs/dbraw/zinc/93/61/67/1294936167.db2.gz NFXAWIPCPMHNQI-NFAWXSAZSA-N 1 3 367.494 0.128 20 0 FCADHO c1nc2n(c1CN1CCCC1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164733688 720554405 /nfs/dbraw/zinc/55/44/05/720554405.db2.gz ORFLSMSPZPWLBG-UHFFFAOYSA-N 1 3 353.474 0.977 20 0 FCADHO c1ncc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)cn1 ZINC001164741515 720608753 /nfs/dbraw/zinc/60/87/53/720608753.db2.gz LIMZNRLFWRFZFL-GJZGRUSLSA-N 1 3 367.457 0.297 20 0 FCADHO c1ncc(O[C@H]2C[C@H]3CN(c4cc(C5C[NH2+]C5)ncn4)CCN3C2)cn1 ZINC001164740901 720806433 /nfs/dbraw/zinc/80/64/33/720806433.db2.gz AWIGVWWUTGURBK-GJZGRUSLSA-N 1 3 353.430 0.295 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740761 720821366 /nfs/dbraw/zinc/82/13/66/720821366.db2.gz LFFARPWMSNMCMM-KBAYOESNSA-N 1 3 368.489 0.906 20 0 FCADHO NCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164740761 720821368 /nfs/dbraw/zinc/82/13/68/720821368.db2.gz LFFARPWMSNMCMM-KBAYOESNSA-N 1 3 368.489 0.906 20 0 FCADHO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1CCNC2 ZINC001164930811 721853065 /nfs/dbraw/zinc/85/30/65/721853065.db2.gz SUQZLZRBNHQFAC-CABCVRRESA-N 1 3 350.898 0.990 20 0 FCADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001067536167 837465371 /nfs/dbraw/zinc/46/53/71/837465371.db2.gz OOJUDKVENDRDGF-BRWVUGGUSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1CCN(CC(=O)N(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001067536167 837465373 /nfs/dbraw/zinc/46/53/73/837465373.db2.gz OOJUDKVENDRDGF-BRWVUGGUSA-N 1 3 352.523 0.975 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071106712 837735494 /nfs/dbraw/zinc/73/54/94/837735494.db2.gz QODZLWSYEZGBAZ-SQNIBIBYSA-N 1 3 353.507 0.839 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074657825 837821433 /nfs/dbraw/zinc/82/14/33/837821433.db2.gz GVKLKNHEKKXULE-TWMKSMIVSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001074657825 837821445 /nfs/dbraw/zinc/82/14/45/837821445.db2.gz GVKLKNHEKKXULE-TWMKSMIVSA-N 1 3 350.507 0.918 20 0 FCADHO O=S(=O)(NC[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000379845923 836049730 /nfs/dbraw/zinc/04/97/30/836049730.db2.gz FLAYQANRGWQTDL-KRWDZBQOSA-N 1 3 352.504 0.638 20 0 FCADHO CC(C)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621311 836701563 /nfs/dbraw/zinc/70/15/63/836701563.db2.gz SMAKQDLRWNURSO-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621311 836701566 /nfs/dbraw/zinc/70/15/66/836701566.db2.gz SMAKQDLRWNURSO-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065257237 836825610 /nfs/dbraw/zinc/82/56/10/836825610.db2.gz ROTGMNIKKMXKTF-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065257237 836825617 /nfs/dbraw/zinc/82/56/17/836825617.db2.gz ROTGMNIKKMXKTF-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO CC[C@@H](C(=O)N1CC2(CC[NH+](CCOC)CC2)[C@H]2COC[C@H]21)N(C)C ZINC001079260802 839501595 /nfs/dbraw/zinc/50/15/95/839501595.db2.gz QOJDLLBWFRFHEE-YESZJQIVSA-N 1 3 353.507 0.912 20 0 FCADHO CCCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312680 844464806 /nfs/dbraw/zinc/46/48/06/844464806.db2.gz ILCTWTJSDRVLNY-BFYDXBDKSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C)N(C)C ZINC001102330141 844467905 /nfs/dbraw/zinc/46/79/05/844467905.db2.gz DVFHBZVMSBURDR-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C)N(C)C ZINC001102330141 844467908 /nfs/dbraw/zinc/46/79/08/844467908.db2.gz DVFHBZVMSBURDR-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370127 844477419 /nfs/dbraw/zinc/47/74/19/844477419.db2.gz RQYOAZGFFGBHQR-BFYDXBDKSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001102370127 844477425 /nfs/dbraw/zinc/47/74/25/844477425.db2.gz RQYOAZGFFGBHQR-BFYDXBDKSA-N 1 3 350.507 0.539 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1)C1CCC1 ZINC001082329067 840314636 /nfs/dbraw/zinc/31/46/36/840314636.db2.gz ZJZKSRLHSFSEHU-IXDOHACOSA-N 1 3 351.491 0.713 20 0 FCADHO CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368862 840356388 /nfs/dbraw/zinc/35/63/88/840356388.db2.gz PKAKDTREGQZJBP-KZNAEPCWSA-N 1 3 353.507 0.960 20 0 FCADHO CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368862 840356402 /nfs/dbraw/zinc/35/64/02/840356402.db2.gz PKAKDTREGQZJBP-KZNAEPCWSA-N 1 3 353.507 0.960 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082507412 840442122 /nfs/dbraw/zinc/44/21/22/840442122.db2.gz PQZQZYJWKAAQCM-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082507412 840442129 /nfs/dbraw/zinc/44/21/29/840442129.db2.gz PQZQZYJWKAAQCM-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082544602 840457317 /nfs/dbraw/zinc/45/73/17/840457317.db2.gz KHACJXSCJPGHRA-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001082544602 840457321 /nfs/dbraw/zinc/45/73/21/840457321.db2.gz KHACJXSCJPGHRA-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082562100 840466495 /nfs/dbraw/zinc/46/64/95/840466495.db2.gz NRKUHBXHZJJRIC-HLLBOEOZSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082741311 840542760 /nfs/dbraw/zinc/54/27/60/840542760.db2.gz WUGLYQHBVDTJAD-RBSFLKMASA-N 1 3 350.463 0.056 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082741211 840543615 /nfs/dbraw/zinc/54/36/15/840543615.db2.gz SQMMHBPTPYEXKI-BFYDXBDKSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082822066 840574867 /nfs/dbraw/zinc/57/48/67/840574867.db2.gz HKOIZVQWKWOIGJ-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599164 844588904 /nfs/dbraw/zinc/58/89/04/844588904.db2.gz RVBRTVKCJBKTRW-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599193 844589966 /nfs/dbraw/zinc/58/99/66/844589966.db2.gz SUICSRDESXMCFF-IAGOWNOFSA-N 1 3 350.507 0.779 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087062700 842259568 /nfs/dbraw/zinc/25/95/68/842259568.db2.gz QTDUVYSEAJGABT-BRWVUGGUSA-N 1 3 351.495 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001087087919 842280706 /nfs/dbraw/zinc/28/07/06/842280706.db2.gz BFOBJGWLUUUAKQ-ZMSDIMECSA-N 1 3 350.463 0.832 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1snnc1C ZINC001087101099 842288764 /nfs/dbraw/zinc/28/87/64/842288764.db2.gz SSUJODIKQTXRLM-RBSFLKMASA-N 1 3 367.519 0.751 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1snnc1C ZINC001087101099 842288773 /nfs/dbraw/zinc/28/87/73/842288773.db2.gz SSUJODIKQTXRLM-RBSFLKMASA-N 1 3 367.519 0.751 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(C)no1 ZINC001087100388 842289867 /nfs/dbraw/zinc/28/98/67/842289867.db2.gz QYJSGKGRTNFUQM-BFYDXBDKSA-N 1 3 350.463 0.888 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(C)no1 ZINC001087100388 842289877 /nfs/dbraw/zinc/28/98/77/842289877.db2.gz QYJSGKGRTNFUQM-BFYDXBDKSA-N 1 3 350.463 0.888 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001087175430 842308999 /nfs/dbraw/zinc/30/89/99/842308999.db2.gz NQVABERCIFORHV-PVAVHDDUSA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087796826 842433989 /nfs/dbraw/zinc/43/39/89/842433989.db2.gz NUKLMOLQILZNGQ-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCN1CCCC1=O ZINC001087796826 842433993 /nfs/dbraw/zinc/43/39/93/842433993.db2.gz NUKLMOLQILZNGQ-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092604844 843249123 /nfs/dbraw/zinc/24/91/23/843249123.db2.gz PPSRCWGXKSKWKN-BFYDXBDKSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C ZINC001092604844 843249129 /nfs/dbraw/zinc/24/91/29/843249129.db2.gz PPSRCWGXKSKWKN-BFYDXBDKSA-N 1 3 350.507 0.822 20 0 FCADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721018 843285196 /nfs/dbraw/zinc/28/51/96/843285196.db2.gz DNGGXEWFYZCSAP-OWCLPIDISA-N 1 3 350.507 0.681 20 0 FCADHO COCC[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276357701 861427717 /nfs/dbraw/zinc/42/77/17/861427717.db2.gz PRHLWRCGOYVFRB-KRWDZBQOSA-N 1 3 352.523 0.489 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)OC3(CCN(CCO)CC3)C2)CC[N@@H+]1C ZINC001098603710 843927760 /nfs/dbraw/zinc/92/77/60/843927760.db2.gz VNJFHUJASKUULQ-IXDOHACOSA-N 1 3 353.507 0.791 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)OC3(CCN(CCO)CC3)C2)CC[N@H+]1C ZINC001098603710 843927764 /nfs/dbraw/zinc/92/77/64/843927764.db2.gz VNJFHUJASKUULQ-IXDOHACOSA-N 1 3 353.507 0.791 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103550231 844777941 /nfs/dbraw/zinc/77/79/41/844777941.db2.gz GEKOVDRBEIWBBZ-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001103550231 844777949 /nfs/dbraw/zinc/77/79/49/844777949.db2.gz GEKOVDRBEIWBBZ-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103721436 844807628 /nfs/dbraw/zinc/80/76/28/844807628.db2.gz SHVHPISZWYTZEG-ZACQAIPSSA-N 1 3 352.523 0.785 20 0 FCADHO CC(C)CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103721436 844807631 /nfs/dbraw/zinc/80/76/31/844807631.db2.gz SHVHPISZWYTZEG-ZACQAIPSSA-N 1 3 352.523 0.785 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104000104 844852183 /nfs/dbraw/zinc/85/21/83/844852183.db2.gz VRPGMEHMWPOHEH-OIISXLGYSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001104682178 844932454 /nfs/dbraw/zinc/93/24/54/844932454.db2.gz FHIWRCWYIKSDBN-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)[C@@H]1N(C(=O)Cc2c[nH]cn2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655571 845010690 /nfs/dbraw/zinc/01/06/90/845010690.db2.gz JFEMQFWIYVOLEK-XYVMCAHJSA-N 1 3 350.463 0.301 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105661877 845012342 /nfs/dbraw/zinc/01/23/42/845012342.db2.gz LMDOJOWKUNZSJB-PSBWJHGTSA-N 1 3 355.523 0.677 20 0 FCADHO COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CN(C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105675493 845016818 /nfs/dbraw/zinc/01/68/18/845016818.db2.gz PSSAYDLYDNYXRB-FPAYPSAMSA-N 1 3 355.523 0.939 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106249496 845142985 /nfs/dbraw/zinc/14/29/85/845142985.db2.gz JICPRJSUECWFAI-BMFZPTHFSA-N 1 3 351.495 0.036 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106249532 845143106 /nfs/dbraw/zinc/14/31/06/845143106.db2.gz JRDKMHIBJYEPNB-QBIMZIAESA-N 1 3 350.507 0.537 20 0 FCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106255681 845144333 /nfs/dbraw/zinc/14/43/33/845144333.db2.gz DVDMTDWMYDLDKB-RBSFLKMASA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)N(C)C ZINC001106312320 845152626 /nfs/dbraw/zinc/15/26/26/845152626.db2.gz BVOFQKQTDQGKHG-RBSFLKMASA-N 1 3 352.479 0.160 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106665061 845218502 /nfs/dbraw/zinc/21/85/02/845218502.db2.gz GENALIOCMJKOJB-BFYDXBDKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCN3CCNC3=O)[C@H](C)C2)C1 ZINC001106665997 845218710 /nfs/dbraw/zinc/21/87/10/845218710.db2.gz DNMMWAGQGZMMFT-ARFHVFGLSA-N 1 3 351.495 0.038 20 0 FCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666854 845220029 /nfs/dbraw/zinc/22/00/29/845220029.db2.gz XELHPKSIEUIFSN-BRWVUGGUSA-N 1 3 352.523 0.785 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106778842 845251089 /nfs/dbraw/zinc/25/10/89/845251089.db2.gz UMTHMTRLFMCYST-BRWVUGGUSA-N 1 3 351.495 0.270 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106779238 845251277 /nfs/dbraw/zinc/25/12/77/845251277.db2.gz HWMHGFRNKOLFKO-CHWSQXEVSA-N 1 3 368.507 0.503 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)n1C ZINC001106840398 845265964 /nfs/dbraw/zinc/26/59/64/845265964.db2.gz KYGBCGWDUBCOFL-HUUCEWRRSA-N 1 3 350.511 0.903 20 0 FCADHO CCc1nnc(CNC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)n1C ZINC001106840398 845265974 /nfs/dbraw/zinc/26/59/74/845265974.db2.gz KYGBCGWDUBCOFL-HUUCEWRRSA-N 1 3 350.511 0.903 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCOC)[C@H](C)C1 ZINC001106910896 845284007 /nfs/dbraw/zinc/28/40/07/845284007.db2.gz UPIKDIOFNHFEJK-HZPDHXFCSA-N 1 3 356.511 0.165 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001107038940 845316651 /nfs/dbraw/zinc/31/66/51/845316651.db2.gz HNVNDPNWWRLKTJ-NVXWUHKLSA-N 1 3 352.523 0.879 20 0 FCADHO CN(C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110948876 846001062 /nfs/dbraw/zinc/00/10/62/846001062.db2.gz OZAXWQLYHYCJGI-OAGGEKHMSA-N 1 3 351.447 0.685 20 0 FCADHO CN(C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110948876 846001072 /nfs/dbraw/zinc/00/10/72/846001072.db2.gz OZAXWQLYHYCJGI-OAGGEKHMSA-N 1 3 351.447 0.685 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961011 846001722 /nfs/dbraw/zinc/00/17/22/846001722.db2.gz OMWCHZSJMOJILG-ZACQAIPSSA-N 1 3 354.495 0.202 20 0 FCADHO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001111658600 846167826 /nfs/dbraw/zinc/16/78/26/846167826.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCN2C)C1 ZINC001111658600 846167833 /nfs/dbraw/zinc/16/78/33/846167833.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658600 846167838 /nfs/dbraw/zinc/16/78/38/846167838.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658600 846167844 /nfs/dbraw/zinc/16/78/44/846167844.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111952595 846275005 /nfs/dbraw/zinc/27/50/05/846275005.db2.gz QAJMLPRBDIYICN-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(CC)C1=O)C2 ZINC001111952595 846275016 /nfs/dbraw/zinc/27/50/16/846275016.db2.gz QAJMLPRBDIYICN-FCEWJHQRSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112166164 846429640 /nfs/dbraw/zinc/42/96/40/846429640.db2.gz HUQJMMCJJMTFQD-MGPQQGTHSA-N 1 3 367.412 0.459 20 0 FCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112166164 846429644 /nfs/dbraw/zinc/42/96/44/846429644.db2.gz HUQJMMCJJMTFQD-MGPQQGTHSA-N 1 3 367.412 0.459 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001112567327 846526505 /nfs/dbraw/zinc/52/65/05/846526505.db2.gz IVMVVINRBNFESA-FCEWJHQRSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112586406 846532280 /nfs/dbraw/zinc/53/22/80/846532280.db2.gz XZUCIRILXKHDIF-BXWFABGCSA-N 1 3 350.507 0.825 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112586429 846532331 /nfs/dbraw/zinc/53/23/31/846532331.db2.gz YSIRJQOTTREJOM-RDJZCZTQSA-N 1 3 359.536 0.590 20 0 FCADHO O=C(CN1CCC(CO)CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001122236730 848473366 /nfs/dbraw/zinc/47/33/66/848473366.db2.gz ZKABIMRHJSTDLO-HDICACEKSA-N 1 3 350.507 0.118 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[n-]1 ZINC001130251482 848989917 /nfs/dbraw/zinc/98/99/17/848989917.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 1 3 352.483 0.632 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[n-]1 ZINC001130251482 848989924 /nfs/dbraw/zinc/98/99/24/848989924.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 1 3 352.483 0.632 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131562501 849123142 /nfs/dbraw/zinc/12/31/42/849123142.db2.gz VVJONBOLSCEWTF-SUMDDJOVSA-N 1 3 353.507 0.839 20 0 FCADHO CC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001277712088 862022032 /nfs/dbraw/zinc/02/20/32/862022032.db2.gz HIAVDPHXPQXRKM-IEBWSBKVSA-N 1 3 352.523 0.462 20 0 FCADHO CC[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001277712088 862022046 /nfs/dbraw/zinc/02/20/46/862022046.db2.gz HIAVDPHXPQXRKM-IEBWSBKVSA-N 1 3 352.523 0.462 20 0 FCADHO C[NH+]1CCC(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC001143317415 849483228 /nfs/dbraw/zinc/48/32/28/849483228.db2.gz NWLBHZKTDRIYNC-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001277712566 862024528 /nfs/dbraw/zinc/02/45/28/862024528.db2.gz JUCLRNRADIYHMY-IEBWSBKVSA-N 1 3 352.523 0.319 20 0 FCADHO CC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001277712566 862024546 /nfs/dbraw/zinc/02/45/46/862024546.db2.gz JUCLRNRADIYHMY-IEBWSBKVSA-N 1 3 352.523 0.319 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1C1CCCC1 ZINC001154888757 849818856 /nfs/dbraw/zinc/81/88/56/849818856.db2.gz GMRPOCJXUNAOOO-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CN(C)CC2(C)C)CC1=O ZINC001156591050 849915886 /nfs/dbraw/zinc/91/58/86/849915886.db2.gz SAWVTHHCLYIYJC-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CN(C)CC2(C)C)CC1=O ZINC001156591050 849915895 /nfs/dbraw/zinc/91/58/95/849915895.db2.gz SAWVTHHCLYIYJC-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CN(C)CC2(C)C)CC1=O ZINC001156591048 849916234 /nfs/dbraw/zinc/91/62/34/849916234.db2.gz SAWVTHHCLYIYJC-ARFHVFGLSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CN(C)CC2(C)C)CC1=O ZINC001156591048 849916243 /nfs/dbraw/zinc/91/62/43/849916243.db2.gz SAWVTHHCLYIYJC-ARFHVFGLSA-N 1 3 350.507 0.776 20 0 FCADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157593825 849983377 /nfs/dbraw/zinc/98/33/77/849983377.db2.gz YRMRDOCVWVYGRL-GOSISDBHSA-N 1 3 351.539 0.461 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157715843 849987754 /nfs/dbraw/zinc/98/77/54/849987754.db2.gz JGDMCFGGINFHMR-PMPSAXMXSA-N 1 3 356.511 0.338 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC001157716665 849989023 /nfs/dbraw/zinc/98/90/23/849989023.db2.gz QMXQZRSMKDQJQY-JYJNAYRXSA-N 1 3 352.504 0.659 20 0 FCADHO O=C(N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157923549 850004894 /nfs/dbraw/zinc/00/48/94/850004894.db2.gz FFCHDQXHZVXSQX-WVWOOGAGSA-N 1 3 353.360 0.439 20 0 FCADHO N[C@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158076332 850015935 /nfs/dbraw/zinc/01/59/35/850015935.db2.gz FAMRFRJYPMHWDE-HNNXBMFYSA-N 1 3 353.463 0.228 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158338649 850038475 /nfs/dbraw/zinc/03/84/75/850038475.db2.gz DQVOKOWRKYRUQL-UGUYLWEFSA-N 1 3 352.479 0.071 20 0 FCADHO CCC[C@H](N)C(=O)N1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158384465 850044607 /nfs/dbraw/zinc/04/46/07/850044607.db2.gz SXQFUNDVCDYTRO-GDLCADMTSA-N 1 3 351.369 0.657 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN(C)C(C)C)C2 ZINC001158384912 850044924 /nfs/dbraw/zinc/04/49/24/850044924.db2.gz TYJDCHVJKVSJCC-GJZGRUSLSA-N 1 3 365.396 0.870 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](N)C(C)(C)C)C2 ZINC001158386661 850044950 /nfs/dbraw/zinc/04/49/50/850044950.db2.gz ZWRHKSXLXPAJOW-NZVBXONLSA-N 1 3 365.396 0.903 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158420881 850049059 /nfs/dbraw/zinc/04/90/59/850049059.db2.gz ACHNWVAYPVZNMJ-LXFSFDBISA-N 1 3 356.536 0.561 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001158495678 850055974 /nfs/dbraw/zinc/05/59/74/850055974.db2.gz CQNZRKLMBJHSAB-FPYNETTCSA-N 1 3 363.380 0.669 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159585938 850122727 /nfs/dbraw/zinc/12/27/27/850122727.db2.gz VQJFWOLVVBUMTJ-GJZGRUSLSA-N 1 3 367.519 0.287 20 0 FCADHO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001159625512 850124352 /nfs/dbraw/zinc/12/43/52/850124352.db2.gz XDBYFRBHTWCVMK-LZLYRXPVSA-N 1 3 351.491 0.905 20 0 FCADHO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001159625512 850124358 /nfs/dbraw/zinc/12/43/58/850124358.db2.gz XDBYFRBHTWCVMK-LZLYRXPVSA-N 1 3 351.491 0.905 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159906209 850144462 /nfs/dbraw/zinc/14/44/62/850144462.db2.gz ZMXKNUPKKBXKFA-HLPPOEQASA-N 1 3 368.503 0.732 20 0 FCADHO C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H](N)CC(F)F)CCC2 ZINC001160373169 850168700 /nfs/dbraw/zinc/16/87/00/850168700.db2.gz WKJAKCFDGCNSSY-LBPRGKRZSA-N 1 3 359.421 0.676 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2c(Br)cnc2C1 ZINC001160546243 850180604 /nfs/dbraw/zinc/18/06/04/850180604.db2.gz XAHYRCYBVFUQTH-LLVKDONJSA-N 1 3 368.279 0.862 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2c(Br)cnc2C1 ZINC001160546243 850180606 /nfs/dbraw/zinc/18/06/06/850180606.db2.gz XAHYRCYBVFUQTH-LLVKDONJSA-N 1 3 368.279 0.862 20 0 FCADHO COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160947360 850215663 /nfs/dbraw/zinc/21/56/63/850215663.db2.gz GJZUJISXKHFJNK-HIFRSBDPSA-N 1 3 353.488 0.986 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)Cc2nnc(C(F)(F)F)n21 ZINC001161145589 850234709 /nfs/dbraw/zinc/23/47/09/850234709.db2.gz GBPSMUROCGETEW-GPCCPHFNSA-N 1 3 358.368 0.399 20 0 FCADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206156 850240300 /nfs/dbraw/zinc/24/03/00/850240300.db2.gz XQGGFCWQYQBZSR-OAHLLOKOSA-N 1 3 355.504 0.001 20 0 FCADHO N[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239351 850243630 /nfs/dbraw/zinc/24/36/30/850243630.db2.gz ZMVMDLHETWABDA-LSDHHAIUSA-N 1 3 350.850 0.666 20 0 FCADHO CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001161328793 850251820 /nfs/dbraw/zinc/25/18/20/850251820.db2.gz IYLCSIJSJRLMGM-INIZCTEOSA-N 1 3 364.515 0.769 20 0 FCADHO CC(C)N(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC001161353358 850253084 /nfs/dbraw/zinc/25/30/84/850253084.db2.gz OMMFVZMAUMHZFV-RYUDHWBXSA-N 1 3 352.401 0.761 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1csc([C@H]3CCCN3)n1)CC2 ZINC001161477329 850261950 /nfs/dbraw/zinc/26/19/50/850261950.db2.gz DYYFNKOGJXLNAT-NDGTYSDOSA-N 1 3 364.471 0.935 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCOc2ccc(Br)cc2C1 ZINC001161499929 850264848 /nfs/dbraw/zinc/26/48/48/850264848.db2.gz NFLAJURBMNLLBX-ZDUSSCGKSA-N 1 3 366.259 0.979 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601274 850274553 /nfs/dbraw/zinc/27/45/53/850274553.db2.gz BJCOPDVOTHPJKU-YESZJQIVSA-N 1 3 358.502 0.753 20 0 FCADHO C[C@@H]1C[C@@H](CNc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C[NH2+]1 ZINC001162552540 850324862 /nfs/dbraw/zinc/32/48/62/850324862.db2.gz LZJJKQZWGGUBIT-ZIAGYGMSSA-N 1 3 353.492 0.573 20 0 FCADHO CC[NH+](CC)CCNC(=N)Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001163128632 850356835 /nfs/dbraw/zinc/35/68/35/850356835.db2.gz OCXSHOKIOZQNLR-UHFFFAOYSA-N 1 3 354.480 0.800 20 0 FCADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(CN)ncn1)C2 ZINC001165372618 850438288 /nfs/dbraw/zinc/43/82/88/850438288.db2.gz IQZCBIPMHMAJQZ-ZIAGYGMSSA-N 1 3 359.352 0.457 20 0 FCADHO CN1CCN(C(=[NH2+])Nc2nc(Cl)cc([C@H]3CCC(=O)NC3)n2)CC1 ZINC001168735321 850591351 /nfs/dbraw/zinc/59/13/51/850591351.db2.gz OCQMEOABXFSWCL-JTQLQIEISA-N 1 3 351.842 0.718 20 0 FCADHO CC[C@@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001278395742 862313787 /nfs/dbraw/zinc/31/37/87/862313787.db2.gz DEVHJIJCXKPSOV-PMPSAXMXSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001278395737 862313865 /nfs/dbraw/zinc/31/38/65/862313865.db2.gz DEVHJIJCXKPSOV-ARFHVFGLSA-N 1 3 350.507 0.633 20 0 FCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192977732 852328413 /nfs/dbraw/zinc/32/84/13/852328413.db2.gz KDNQDFOARNORNE-CGTJXYLNSA-N 1 3 353.507 0.839 20 0 FCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192977732 852328419 /nfs/dbraw/zinc/32/84/19/852328419.db2.gz KDNQDFOARNORNE-CGTJXYLNSA-N 1 3 353.507 0.839 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198028445 853206863 /nfs/dbraw/zinc/20/68/63/853206863.db2.gz ABSKJIWOYDXLFP-FGTMMUONSA-N 1 3 355.523 0.821 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198028445 853206872 /nfs/dbraw/zinc/20/68/72/853206872.db2.gz ABSKJIWOYDXLFP-FGTMMUONSA-N 1 3 355.523 0.821 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001198729717 853308460 /nfs/dbraw/zinc/30/84/60/853308460.db2.gz YWZXSJZEAKPDGO-KZNAEPCWSA-N 1 3 353.507 0.840 20 0 FCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnn(CC2CCOCC2)c1 ZINC001199568504 853443446 /nfs/dbraw/zinc/44/34/46/853443446.db2.gz LSXAZYMTMSPLIE-UHFFFAOYSA-N 1 3 350.467 0.987 20 0 FCADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538338 853502408 /nfs/dbraw/zinc/50/24/08/853502408.db2.gz YZDWVULWTQHOLE-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538338 853502414 /nfs/dbraw/zinc/50/24/14/853502414.db2.gz YZDWVULWTQHOLE-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CNC(=O)CN1CCOC[C@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207280081 853796541 /nfs/dbraw/zinc/79/65/41/853796541.db2.gz MZBRGOPNIDNYFA-LJQANCHMSA-N 1 3 354.539 0.735 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853882 /nfs/dbraw/zinc/85/38/82/853853882.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 1 3 351.495 0.411 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853885 /nfs/dbraw/zinc/85/38/85/853853885.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 1 3 351.495 0.411 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853887 /nfs/dbraw/zinc/85/38/87/853853887.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 1 3 351.495 0.411 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001207750761 853853892 /nfs/dbraw/zinc/85/38/92/853853892.db2.gz XIWCTVYBYMSDPZ-BZUAXINKSA-N 1 3 351.495 0.411 20 0 FCADHO CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036192 853884831 /nfs/dbraw/zinc/88/48/31/853884831.db2.gz ASJPFRYFNSMSBG-LDBBTLTOSA-N 1 3 351.491 0.713 20 0 FCADHO CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036192 853884834 /nfs/dbraw/zinc/88/48/34/853884834.db2.gz ASJPFRYFNSMSBG-LDBBTLTOSA-N 1 3 351.491 0.713 20 0 FCADHO C[N@@H+]1CCC[C@@H](CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208609991 853959287 /nfs/dbraw/zinc/95/92/87/853959287.db2.gz OJNGSJSTSITHRH-VSZNYVQBSA-N 1 3 351.491 0.524 20 0 FCADHO C[N@H+]1CCC[C@@H](CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001208609991 853959291 /nfs/dbraw/zinc/95/92/91/853959291.db2.gz OJNGSJSTSITHRH-VSZNYVQBSA-N 1 3 351.491 0.524 20 0 FCADHO Cc1noc(CCCN2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210315205 854099609 /nfs/dbraw/zinc/09/96/09/854099609.db2.gz MIEZRPBYNSKPJI-UKRRQHHQSA-N 1 3 353.467 0.325 20 0 FCADHO CC(C)COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329891 854100453 /nfs/dbraw/zinc/10/04/53/854100453.db2.gz JRQVRIFMVQWDHR-BRWVUGGUSA-N 1 3 353.507 0.552 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@H]1C ZINC001210484759 854114260 /nfs/dbraw/zinc/11/42/60/854114260.db2.gz BTWBKCXYWWUGML-BRWVUGGUSA-N 1 3 359.511 0.179 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCCOC)C[C@H]1C ZINC001210484759 854114262 /nfs/dbraw/zinc/11/42/62/854114262.db2.gz BTWBKCXYWWUGML-BRWVUGGUSA-N 1 3 359.511 0.179 20 0 FCADHO CO[C@@H]1CN(CCCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293582 854430713 /nfs/dbraw/zinc/43/07/13/854430713.db2.gz YEOSUVCOQOEPLR-RCCFBDPRSA-N 1 3 353.507 0.959 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001214335715 854927023 /nfs/dbraw/zinc/92/70/23/854927023.db2.gz GTHFFBYCSJRPKS-FVQBIDKESA-N 1 3 364.515 0.895 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214597136 854975966 /nfs/dbraw/zinc/97/59/66/854975966.db2.gz DUMDQTLMFPSGDC-DJIMGWMZSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214597136 854975971 /nfs/dbraw/zinc/97/59/71/854975971.db2.gz DUMDQTLMFPSGDC-DJIMGWMZSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646846 854985689 /nfs/dbraw/zinc/98/56/89/854985689.db2.gz ZFYKXNQISFTEKD-DJIMGWMZSA-N 1 3 350.507 0.632 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC(C)C)C2)CC[N@@H+]1C ZINC001214665998 854989076 /nfs/dbraw/zinc/98/90/76/854989076.db2.gz PFHUOHMSPNXMII-YYIAUSFCSA-N 1 3 352.523 0.925 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC(C)C)C2)CC[N@H+]1C ZINC001214665998 854989081 /nfs/dbraw/zinc/98/90/81/854989081.db2.gz PFHUOHMSPNXMII-YYIAUSFCSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001214856200 855024907 /nfs/dbraw/zinc/02/49/07/855024907.db2.gz XXUIXCOGBUNIBX-OWCLPIDISA-N 1 3 359.536 0.730 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001214856200 855024912 /nfs/dbraw/zinc/02/49/12/855024912.db2.gz XXUIXCOGBUNIBX-OWCLPIDISA-N 1 3 359.536 0.730 20 0 FCADHO C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214863408 855026056 /nfs/dbraw/zinc/02/60/56/855026056.db2.gz LVKSXPFYBRCJOE-CKEIUWERSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(=O)N(C)C ZINC001214948576 855038942 /nfs/dbraw/zinc/03/89/42/855038942.db2.gz RMTOXEPNWLUNIU-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001215000074 855049464 /nfs/dbraw/zinc/04/94/64/855049464.db2.gz WTRVVLUDDLXSBW-RRFJBIMHSA-N 1 3 361.552 0.834 20 0 FCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056742 855059294 /nfs/dbraw/zinc/05/92/94/855059294.db2.gz FXPYDXIXTOKHPV-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184746 855078265 /nfs/dbraw/zinc/07/82/65/855078265.db2.gz RLDDWVBTQOQGFL-LDBBTLTOSA-N 1 3 351.491 0.713 20 0 FCADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001215228461 855085707 /nfs/dbraw/zinc/08/57/07/855085707.db2.gz QHZGYLRLUMPIIZ-HYVNUMGLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001215228461 855085709 /nfs/dbraw/zinc/08/57/09/855085709.db2.gz QHZGYLRLUMPIIZ-HYVNUMGLSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397105 855109990 /nfs/dbraw/zinc/10/99/90/855109990.db2.gz SYHKLAUTBVMLRG-LTIDMASMSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397105 855110001 /nfs/dbraw/zinc/11/00/01/855110001.db2.gz SYHKLAUTBVMLRG-LTIDMASMSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)C1=O ZINC001215413404 855112334 /nfs/dbraw/zinc/11/23/34/855112334.db2.gz FNGNTUJWZQNSFQ-OWCLPIDISA-N 1 3 350.507 0.774 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215540306 855126601 /nfs/dbraw/zinc/12/66/01/855126601.db2.gz LGZDQHPUXQMDKA-OWCLPIDISA-N 1 3 359.536 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001216053431 855166459 /nfs/dbraw/zinc/16/64/59/855166459.db2.gz MWOAXHWLQGDQML-NVXWUHKLSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(C)(C)C ZINC001216410252 855200403 /nfs/dbraw/zinc/20/04/03/855200403.db2.gz WQJIQTQIGMYQPQ-QLFBSQMISA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409215 855200428 /nfs/dbraw/zinc/20/04/28/855200428.db2.gz CQOVYXISXAKIPD-BZUAXINKSA-N 1 3 350.507 0.679 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463260 855204962 /nfs/dbraw/zinc/20/49/62/855204962.db2.gz BHJVAHJFOUMRRY-HZPDHXFCSA-N 1 3 356.511 0.308 20 0 FCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001216835963 855253665 /nfs/dbraw/zinc/25/36/65/855253665.db2.gz PPGANIOPFGSIPV-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216851819 855259861 /nfs/dbraw/zinc/25/98/61/855259861.db2.gz JBPZDLGFLYMPTB-BZUAXINKSA-N 1 3 354.495 0.010 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC2(C[NH2+]C2)C1 ZINC001218233809 855409735 /nfs/dbraw/zinc/40/97/35/855409735.db2.gz AILGYYJBLMWFSM-JTQLQIEISA-N 1 3 350.419 0.282 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218400265 855423655 /nfs/dbraw/zinc/42/36/55/855423655.db2.gz UDMYMSPZFWXEPW-SNVBAGLBSA-N 1 3 350.419 0.282 20 0 FCADHO Nc1ccc(I)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218505394 855430878 /nfs/dbraw/zinc/43/08/78/855430878.db2.gz FFZJORUMCNYTFV-ZETCQYMHSA-N 1 3 373.198 0.016 20 0 FCADHO CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218596219 855446575 /nfs/dbraw/zinc/44/65/75/855446575.db2.gz YJCCWZRCSVOBGY-SECBINFHSA-N 1 3 367.435 0.028 20 0 FCADHO CCOC(=O)c1sc(SC)nc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218632884 855453688 /nfs/dbraw/zinc/45/36/88/855453688.db2.gz CNKAASWOUXQVHI-QMMMGPOBSA-N 1 3 356.473 0.789 20 0 FCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218710248 855468185 /nfs/dbraw/zinc/46/81/85/855468185.db2.gz DGXDRHHTPZSRCL-RYUDHWBXSA-N 1 3 368.459 0.452 20 0 FCADHO CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218893719 855492702 /nfs/dbraw/zinc/49/27/02/855492702.db2.gz FASXHGDPVJVDFD-LBPRGKRZSA-N 1 3 352.460 0.121 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219639179 855749971 /nfs/dbraw/zinc/74/99/71/855749971.db2.gz VPVAOQGHKZPHFF-PEDHHIEDSA-N 1 3 362.515 0.414 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219650585 855756245 /nfs/dbraw/zinc/75/62/45/855756245.db2.gz PPVSXWIWVRHPRU-LEOABGAYSA-N 1 3 372.579 0.960 20 0 FCADHO Cc1nn(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)c(C)c1Br ZINC001219997304 855911406 /nfs/dbraw/zinc/91/14/06/855911406.db2.gz RKEVPBYCTFJYOL-LLVKDONJSA-N 1 3 356.268 0.188 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127210 855972351 /nfs/dbraw/zinc/97/23/51/855972351.db2.gz MJERJIJQIDEJFC-HNNXBMFYSA-N 1 3 352.479 0.647 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220151821 855984084 /nfs/dbraw/zinc/98/40/84/855984084.db2.gz ITNYOTGLJUTKQI-RNJOBUHISA-N 1 3 362.565 0.158 20 0 FCADHO O=C(NCC1CC[NH+](C2CCCCC2)CC1)[C@H]1COC2(CNC2)CN1 ZINC001220258671 856033501 /nfs/dbraw/zinc/03/35/01/856033501.db2.gz PIWJZCGJEFFHAF-QGZVFWFLSA-N 1 3 350.507 0.478 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1)C1CC1 ZINC001220478784 856146720 /nfs/dbraw/zinc/14/67/20/856146720.db2.gz KNAUBAGCRFJYOG-SQNIBIBYSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)(C)C(=O)N1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001220495103 856152954 /nfs/dbraw/zinc/15/29/54/856152954.db2.gz YGXQJCFIHQTVRI-DNVCBOLYSA-N 1 3 350.507 0.586 20 0 FCADHO CCOC(=O)C1=C(NC(=O)C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CCNC1 ZINC001220521607 856165246 /nfs/dbraw/zinc/16/52/46/856165246.db2.gz JVVBNAGFXPEOQX-ACJLOTCBSA-N 1 3 351.447 0.462 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001220798992 856307119 /nfs/dbraw/zinc/30/71/19/856307119.db2.gz KTVMINUVUNOZBA-KGLIPLIRSA-N 1 3 369.428 0.849 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220935891 856384822 /nfs/dbraw/zinc/38/48/22/856384822.db2.gz AAUGALMVZPSDNK-AJNGGQMLSA-N 1 3 374.551 0.092 20 0 FCADHO CO[C@H](CN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC001221073458 856450193 /nfs/dbraw/zinc/45/01/93/856450193.db2.gz XLTBBDGWSUMART-FGTMMUONSA-N 1 3 353.507 0.839 20 0 FCADHO COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001227613808 857167057 /nfs/dbraw/zinc/16/70/57/857167057.db2.gz NFXOWHUBHBVXGD-RVKOJVRFSA-N 1 3 351.491 0.903 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC[N@@H+]1C ZINC001228207682 857197414 /nfs/dbraw/zinc/19/74/14/857197414.db2.gz YLHIRAZVJFWPKD-CAOSSQGBSA-N 1 3 359.536 0.778 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)CC[N@H+]1C ZINC001228207682 857197417 /nfs/dbraw/zinc/19/74/17/857197417.db2.gz YLHIRAZVJFWPKD-CAOSSQGBSA-N 1 3 359.536 0.778 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)N(C)C ZINC001228445627 857209836 /nfs/dbraw/zinc/20/98/36/857209836.db2.gz UDTQFCVYUYXKQQ-BZUAXINKSA-N 1 3 353.511 0.615 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O ZINC001229229867 857260276 /nfs/dbraw/zinc/26/02/76/857260276.db2.gz CRSAZTYENPLWEC-IAGOWNOFSA-N 1 3 356.511 0.498 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCOCC ZINC001229860504 857290098 /nfs/dbraw/zinc/29/00/98/857290098.db2.gz VEWQEWBUGXIVSP-HZPDHXFCSA-N 1 3 356.511 0.498 20 0 FCADHO O=C(C1CCN(C2CC[NH+](CCCCO)CC2)CC1)N1CCOCC1 ZINC001235615076 857430399 /nfs/dbraw/zinc/43/03/99/857430399.db2.gz KMAGNOCSXQPJDH-UHFFFAOYSA-N 1 3 353.507 0.794 20 0 FCADHO COc1cc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)ccc1F ZINC001238242797 857464690 /nfs/dbraw/zinc/46/46/90/857464690.db2.gz RFHNIDIAYKGTKC-GFCCVEGCSA-N 1 3 357.451 0.987 20 0 FCADHO COc1cc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)ccc1F ZINC001238242797 857464694 /nfs/dbraw/zinc/46/46/94/857464694.db2.gz RFHNIDIAYKGTKC-GFCCVEGCSA-N 1 3 357.451 0.987 20 0 FCADHO COC(=O)c1cncc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238242188 857465277 /nfs/dbraw/zinc/46/52/77/857465277.db2.gz NIVQBVHVCLZZPQ-CYBMUJFWSA-N 1 3 368.459 0.021 20 0 FCADHO Cc1nnc(-c2cccc(S(=O)(=O)NCCC[NH2+]CCCN)c2)o1 ZINC001238879864 857485541 /nfs/dbraw/zinc/48/55/41/857485541.db2.gz XQOPQBMKOWZOGK-UHFFFAOYSA-N 1 3 353.448 0.652 20 0 FCADHO COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CCCC[C@@]34CNCCO4)C[C@H](C1)N2 ZINC001246158675 857570641 /nfs/dbraw/zinc/57/06/41/857570641.db2.gz GTQDCISTMUMBDN-NMBSFQLMSA-N 1 3 351.491 0.949 20 0 FCADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736221 857595281 /nfs/dbraw/zinc/59/52/81/857595281.db2.gz KFGVIRQORGSYNU-ZMMAXQRCSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CCN1 ZINC001246736221 857595293 /nfs/dbraw/zinc/59/52/93/857595293.db2.gz KFGVIRQORGSYNU-ZMMAXQRCSA-N 1 3 351.491 0.714 20 0 FCADHO COC(=O)[C@H](N)[C@@H]1CCCN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926497 857606600 /nfs/dbraw/zinc/60/66/00/857606600.db2.gz TXZJNIJBIVRUQP-KFAQONHGSA-N 1 3 353.463 0.271 20 0 FCADHO CCN(CC)C[C@H](O)C[N@@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185133 857870424 /nfs/dbraw/zinc/87/04/24/857870424.db2.gz CTYGLQDISCENHE-KRWDZBQOSA-N 1 3 354.539 0.708 20 0 FCADHO CCN(CC)C[C@H](O)C[N@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185133 857870429 /nfs/dbraw/zinc/87/04/29/857870429.db2.gz CTYGLQDISCENHE-KRWDZBQOSA-N 1 3 354.539 0.708 20 0 FCADHO CN1CCC[C@H](NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001254515666 857975821 /nfs/dbraw/zinc/97/58/21/857975821.db2.gz ANQUKALJBNDPKW-HNNXBMFYSA-N 1 3 352.504 0.859 20 0 FCADHO CC(=O)N1CC2(C1)CN(C1CC[NH+](C(C)C)CC1)C[C@@H]2C(=O)N(C)C ZINC001257223712 858127201 /nfs/dbraw/zinc/12/72/01/858127201.db2.gz XLFXVCWJEUTPKB-QGZVFWFLSA-N 1 3 350.507 0.728 20 0 FCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)N(CCC[NH3+])CCCN(C)C ZINC001257924116 858165578 /nfs/dbraw/zinc/16/55/78/858165578.db2.gz UAWWHLASILXALM-OAHLLOKOSA-N 1 3 365.540 0.345 20 0 FCADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)CC[NH+]3CCCC3)C[C@@]2(F)C1=O ZINC001271061291 859890897 /nfs/dbraw/zinc/89/08/97/859890897.db2.gz KXGFJHWFVIBEHI-IAGOWNOFSA-N 1 3 358.433 0.135 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001271657841 859987419 /nfs/dbraw/zinc/98/74/19/859987419.db2.gz DXRVQXGHVFGPNR-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657841 859987425 /nfs/dbraw/zinc/98/74/25/859987425.db2.gz DXRVQXGHVFGPNR-LPHOPBHVSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1=O ZINC001352034005 867018983 /nfs/dbraw/zinc/01/89/83/867018983.db2.gz CULDZOABGDJIAH-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001353458407 867427691 /nfs/dbraw/zinc/42/76/91/867427691.db2.gz REOMPSFHCSWAFJ-HZPDHXFCSA-N 1 3 354.495 0.291 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546642 868511051 /nfs/dbraw/zinc/51/10/51/868511051.db2.gz HNEVHHDLXSHDCI-YOEHRIQHSA-N 1 3 354.520 0.237 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC001321546642 868511059 /nfs/dbraw/zinc/51/10/59/868511059.db2.gz HNEVHHDLXSHDCI-YOEHRIQHSA-N 1 3 354.520 0.237 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CCCCC1 ZINC001325861295 870065359 /nfs/dbraw/zinc/06/53/59/870065359.db2.gz DESGIISDXGTWGP-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326035500 870148693 /nfs/dbraw/zinc/14/86/93/870148693.db2.gz KBZUHEYIMJMZFZ-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)CC2)CC1 ZINC001329065601 871805671 /nfs/dbraw/zinc/80/56/71/871805671.db2.gz FKGRIHMIRYEKMK-WMZOPIPTSA-N 1 3 353.507 0.384 20 0 FCADHO CSCC[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)C(=O)N(C)C ZINC001346422374 871831444 /nfs/dbraw/zinc/83/14/44/871831444.db2.gz ANYQGNBWAIFASG-KRWDZBQOSA-N 1 3 372.579 0.583 20 0 FCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574917771 948828624 /nfs/dbraw/zinc/82/86/24/948828624.db2.gz AZQQSYOZMJJADJ-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575100148 951841303 /nfs/dbraw/zinc/84/13/03/951841303.db2.gz RAXUOVYAVQKBGD-LBPRGKRZSA-N 1 3 363.491 0.961 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575109559 951931766 /nfs/dbraw/zinc/93/17/66/951931766.db2.gz SMSKOZRZGKHHIU-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575109559 951931769 /nfs/dbraw/zinc/93/17/69/951931769.db2.gz SMSKOZRZGKHHIU-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575109559 951931772 /nfs/dbraw/zinc/93/17/72/951931772.db2.gz SMSKOZRZGKHHIU-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575109559 951931775 /nfs/dbraw/zinc/93/17/75/951931775.db2.gz SMSKOZRZGKHHIU-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113770 951944891 /nfs/dbraw/zinc/94/48/91/951944891.db2.gz FXCYNMVULDIFAO-ZFWWWQNUSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113770 951944896 /nfs/dbraw/zinc/94/48/96/951944896.db2.gz FXCYNMVULDIFAO-ZFWWWQNUSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113770 951944899 /nfs/dbraw/zinc/94/48/99/951944899.db2.gz FXCYNMVULDIFAO-ZFWWWQNUSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113770 951944904 /nfs/dbraw/zinc/94/49/04/951944904.db2.gz FXCYNMVULDIFAO-ZFWWWQNUSA-N 1 3 357.462 0.660 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063197 951965015 /nfs/dbraw/zinc/96/50/15/951965015.db2.gz JSYOOBJCKFHQQQ-WBVHZDCISA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571063197 951965018 /nfs/dbraw/zinc/96/50/18/951965018.db2.gz JSYOOBJCKFHQQQ-WBVHZDCISA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063197 951965022 /nfs/dbraw/zinc/96/50/22/951965022.db2.gz JSYOOBJCKFHQQQ-WBVHZDCISA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571063197 951965026 /nfs/dbraw/zinc/96/50/26/951965026.db2.gz JSYOOBJCKFHQQQ-WBVHZDCISA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)C[NH+](C)C ZINC000293311677 214164214 /nfs/dbraw/zinc/16/42/14/214164214.db2.gz XGDISLKBNZAZOZ-AWEZNQCLSA-N 1 3 350.463 0.879 20 0 FCADHO C[C@H](O)CN(CCO)Cc1cc(Cl)cc(C[N@H+](CCO)C[C@H](C)O)c1 ZINC000295272024 214287774 /nfs/dbraw/zinc/28/77/74/214287774.db2.gz ZHEBSXJRHFVXDC-GJZGRUSLSA-N 1 3 374.909 0.690 20 0 FCADHO C[C@H](O)CN(CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)C[C@H](C)O)c1 ZINC000295272024 214287776 /nfs/dbraw/zinc/28/77/76/214287776.db2.gz ZHEBSXJRHFVXDC-GJZGRUSLSA-N 1 3 374.909 0.690 20 0 FCADHO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000291474042 214036925 /nfs/dbraw/zinc/03/69/25/214036925.db2.gz POMGRRJLHJZAPW-OKZBNKHCSA-N 1 3 366.531 0.883 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000410431414 529861134 /nfs/dbraw/zinc/86/11/34/529861134.db2.gz HEMZLIWMDDSYSH-KRWDZBQOSA-N 1 3 350.507 0.731 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000410431414 529861135 /nfs/dbraw/zinc/86/11/35/529861135.db2.gz HEMZLIWMDDSYSH-KRWDZBQOSA-N 1 3 350.507 0.731 20 0 FCADHO CN1CCC(CNC(=O)NCCC[NH+]2CCCC2)(N2CCOCC2)CC1 ZINC000413068674 530049266 /nfs/dbraw/zinc/04/92/66/530049266.db2.gz YBQSFSSMMAUVTJ-UHFFFAOYSA-N 1 3 367.538 0.568 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000930743594 674054401 /nfs/dbraw/zinc/05/44/01/674054401.db2.gz PVAXPUZRQVUJSV-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@H]21 ZINC000332059763 215084399 /nfs/dbraw/zinc/08/43/99/215084399.db2.gz XGBSKAMWKMQWRX-IXDOHACOSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CCCCC3)CC[C@H]21 ZINC000332059763 215084403 /nfs/dbraw/zinc/08/44/03/215084403.db2.gz XGBSKAMWKMQWRX-IXDOHACOSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334819 215132454 /nfs/dbraw/zinc/13/24/54/215132454.db2.gz VNXJZVYKCULIQX-DZJNRPSUSA-N 1 3 358.486 0.738 20 0 FCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334819 215132457 /nfs/dbraw/zinc/13/24/57/215132457.db2.gz VNXJZVYKCULIQX-DZJNRPSUSA-N 1 3 358.486 0.738 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000332509711 215163306 /nfs/dbraw/zinc/16/33/06/215163306.db2.gz YXDNQGHTCOLXQS-IKGGRYGDSA-N 1 3 366.506 0.284 20 0 FCADHO C[C@H]1OCC[C@]1(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333023673 215225239 /nfs/dbraw/zinc/22/52/39/215225239.db2.gz KCGKJHBZXKGQCA-KDOFPFPSSA-N 1 3 354.495 0.384 20 0 FCADHO C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H](C)N1CCO ZINC000333636695 215304240 /nfs/dbraw/zinc/30/42/40/215304240.db2.gz HLNDWBCNBGMLQY-OQSMONGASA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H](C)N1CCO ZINC000333636695 215304244 /nfs/dbraw/zinc/30/42/44/215304244.db2.gz HLNDWBCNBGMLQY-OQSMONGASA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333864552 215325602 /nfs/dbraw/zinc/32/56/02/215325602.db2.gz SRRUOYHFUWRWLP-QAPCUYQASA-N 1 3 351.495 0.324 20 0 FCADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000360573848 215364823 /nfs/dbraw/zinc/36/48/23/215364823.db2.gz ULJQZWRYNDXJFS-HUUCEWRRSA-N 1 3 353.467 0.584 20 0 FCADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000360573846 215365076 /nfs/dbraw/zinc/36/50/76/215365076.db2.gz ULJQZWRYNDXJFS-CABCVRRESA-N 1 3 353.467 0.584 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000284869989 213239518 /nfs/dbraw/zinc/23/95/18/213239518.db2.gz AWSVNSLBOYCYTN-OAHLLOKOSA-N 1 3 362.474 0.770 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000284869989 213239522 /nfs/dbraw/zinc/23/95/22/213239522.db2.gz AWSVNSLBOYCYTN-OAHLLOKOSA-N 1 3 362.474 0.770 20 0 FCADHO CN1CCC(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000284824437 213229212 /nfs/dbraw/zinc/22/92/12/213229212.db2.gz MGUXIWSOWUPUFG-UHFFFAOYSA-N 1 3 359.474 0.625 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000283777423 213007383 /nfs/dbraw/zinc/00/73/83/213007383.db2.gz SHZSGYIJCUVBLU-UHFFFAOYSA-N 1 3 364.490 0.701 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413808310 237382196 /nfs/dbraw/zinc/38/21/96/237382196.db2.gz HRHBQDZQUWDNKO-KRWDZBQOSA-N 1 3 353.507 0.985 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000237909221 209360814 /nfs/dbraw/zinc/36/08/14/209360814.db2.gz MYPHIENRBCIMHI-MSOLQXFVSA-N 1 3 358.486 0.965 20 0 FCADHO C[C@H]1CN(CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000237607771 209355881 /nfs/dbraw/zinc/35/58/81/209355881.db2.gz LTBZINUUVOEIIM-GJZGRUSLSA-N 1 3 364.494 0.822 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1=O ZINC000236832136 209344481 /nfs/dbraw/zinc/34/44/81/209344481.db2.gz MIHMTKQMTQCBLF-YESZJQIVSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368992162 216329620 /nfs/dbraw/zinc/32/96/20/216329620.db2.gz MDGITJPZOZXKGZ-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368992162 216329624 /nfs/dbraw/zinc/32/96/24/216329624.db2.gz MDGITJPZOZXKGZ-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036872 216335782 /nfs/dbraw/zinc/33/57/82/216335782.db2.gz RTXRWNMEUNHEDJ-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036872 216335786 /nfs/dbraw/zinc/33/57/86/216335786.db2.gz RTXRWNMEUNHEDJ-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036874 216336634 /nfs/dbraw/zinc/33/66/34/216336634.db2.gz RTXRWNMEUNHEDJ-WBVHZDCISA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036874 216336636 /nfs/dbraw/zinc/33/66/36/216336636.db2.gz RTXRWNMEUNHEDJ-WBVHZDCISA-N 1 3 350.507 0.872 20 0 FCADHO COC(=O)/C=C1/SCC(=O)N1CCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435653 674115013 /nfs/dbraw/zinc/11/50/13/674115013.db2.gz BMCSVJAXONEILU-YUDROITISA-N 1 3 353.488 0.850 20 0 FCADHO COC(=O)/C=C1/SCC(=O)N1CCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435653 674115014 /nfs/dbraw/zinc/11/50/14/674115014.db2.gz BMCSVJAXONEILU-YUDROITISA-N 1 3 353.488 0.850 20 0 FCADHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000931484923 674117261 /nfs/dbraw/zinc/11/72/61/674117261.db2.gz QZBHPGAPYICTOO-UHFFFAOYSA-N 1 3 354.476 0.564 20 0 FCADHO CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760190 245322980 /nfs/dbraw/zinc/32/29/80/245322980.db2.gz GONKCNDPZAWQNR-CRAIPNDOSA-N 1 3 355.479 0.475 20 0 FCADHO CCOC(=O)[C@]1(COC)CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414760190 245322985 /nfs/dbraw/zinc/32/29/85/245322985.db2.gz GONKCNDPZAWQNR-CRAIPNDOSA-N 1 3 355.479 0.475 20 0 FCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088297 245344710 /nfs/dbraw/zinc/34/47/10/245344710.db2.gz WGOHRXSXZAGJKC-IAGOWNOFSA-N 1 3 374.485 0.453 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000415306187 245382804 /nfs/dbraw/zinc/38/28/04/245382804.db2.gz KXTBOCOOZDYKQJ-UHFFFAOYSA-N 1 3 361.490 0.881 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415366657 245399283 /nfs/dbraw/zinc/39/92/83/245399283.db2.gz YVTXKOLRKFYUQW-UHFFFAOYSA-N 1 3 350.488 0.552 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1=O ZINC000374363233 217122365 /nfs/dbraw/zinc/12/23/65/217122365.db2.gz PNEGHVVICAFFJK-IAGOWNOFSA-N 1 3 350.507 0.587 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419132320 246006379 /nfs/dbraw/zinc/00/63/79/246006379.db2.gz HHQXWRVKOULNRJ-BFHYXJOUSA-N 1 3 356.511 0.698 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419132397 246007381 /nfs/dbraw/zinc/00/73/81/246007381.db2.gz HODWNBMKZSYTCD-QGZVFWFLSA-N 1 3 374.485 0.502 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCC(C)CC1 ZINC000419143396 246013400 /nfs/dbraw/zinc/01/34/00/246013400.db2.gz DFTHNQCBEHOLEO-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419166897 246030969 /nfs/dbraw/zinc/03/09/69/246030969.db2.gz HZKLRNJRXMTCMF-LPHOPBHVSA-N 1 3 350.507 0.969 20 0 FCADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170847 246033042 /nfs/dbraw/zinc/03/30/42/246033042.db2.gz OBHVGHOQWOHZOD-AEFFLSMTSA-N 1 3 358.486 0.521 20 0 FCADHO NC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170847 246033047 /nfs/dbraw/zinc/03/30/47/246033047.db2.gz OBHVGHOQWOHZOD-AEFFLSMTSA-N 1 3 358.486 0.521 20 0 FCADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170849 246033365 /nfs/dbraw/zinc/03/33/65/246033365.db2.gz OBHVGHOQWOHZOD-SJLPKXTDSA-N 1 3 358.486 0.521 20 0 FCADHO NC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170849 246033369 /nfs/dbraw/zinc/03/33/69/246033369.db2.gz OBHVGHOQWOHZOD-SJLPKXTDSA-N 1 3 358.486 0.521 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419170576 246033545 /nfs/dbraw/zinc/03/35/45/246033545.db2.gz NWIZKTUCAFQYAG-YESZJQIVSA-N 1 3 350.507 0.825 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419176466 246035153 /nfs/dbraw/zinc/03/51/53/246035153.db2.gz ZFQLJXNJRGDOGC-HOTGVXAUSA-N 1 3 354.495 0.333 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419192083 246043301 /nfs/dbraw/zinc/04/33/01/246043301.db2.gz OTSDQWFQYNLNOS-GOSISDBHSA-N 1 3 358.486 0.929 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419223449 246062621 /nfs/dbraw/zinc/06/26/21/246062621.db2.gz CYOBNQLIYGSBQM-NXHRZFHOSA-N 1 3 374.485 0.199 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419202295 246050107 /nfs/dbraw/zinc/05/01/07/246050107.db2.gz GYZQWBYHTNOKJK-HZPDHXFCSA-N 1 3 362.474 0.629 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419229097 246068495 /nfs/dbraw/zinc/06/84/95/246068495.db2.gz NNWHFQZIXBZGQO-NJAFHUGGSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419229097 246068500 /nfs/dbraw/zinc/06/85/00/246068500.db2.gz NNWHFQZIXBZGQO-NJAFHUGGSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000419233880 246069901 /nfs/dbraw/zinc/06/99/01/246069901.db2.gz WVPZNORLGKCKKC-BHYGNILZSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419310357 246095188 /nfs/dbraw/zinc/09/51/88/246095188.db2.gz QZBHVVNBNPSBKE-CZUORRHYSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419329935 246100018 /nfs/dbraw/zinc/10/00/18/246100018.db2.gz HKHXSDZRZAOWRK-UOAMXJAYSA-N 1 3 374.460 0.678 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419369935 246119725 /nfs/dbraw/zinc/11/97/25/246119725.db2.gz GMZADNPDNCFBTC-OAHLLOKOSA-N 1 3 358.486 0.318 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419371927 246123192 /nfs/dbraw/zinc/12/31/92/246123192.db2.gz LRGFQUFBDZLSGO-IRXDYDNUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377697 246124834 /nfs/dbraw/zinc/12/48/34/246124834.db2.gz UGOACRBWQGADHO-RHSMWYFYSA-N 1 3 358.486 0.459 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](CN)C1 ZINC000419417007 246148938 /nfs/dbraw/zinc/14/89/38/246148938.db2.gz HOZKSMXENBIDCB-QBPKDAKJSA-N 1 3 368.522 0.435 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419432619 246161444 /nfs/dbraw/zinc/16/14/44/246161444.db2.gz YHVSRPLSLYZPDF-MOPGFXCFSA-N 1 3 370.497 0.904 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N(C)C1CC1 ZINC000419587729 246212572 /nfs/dbraw/zinc/21/25/72/246212572.db2.gz NSPOQMCPFXCYAC-XOKHGSTOSA-N 1 3 366.506 0.330 20 0 FCADHO C[C@]1(CNC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000419663895 246235469 /nfs/dbraw/zinc/23/54/69/246235469.db2.gz LBFQNJDQNTZXIF-FQEVSTJZSA-N 1 3 373.501 0.920 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000419663411 246236146 /nfs/dbraw/zinc/23/61/46/246236146.db2.gz PVHMXUGOAQAMMU-YSHGAJCASA-N 1 3 370.497 0.834 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000419660922 246236247 /nfs/dbraw/zinc/23/62/47/246236247.db2.gz DDYJYWOVZZHGBY-WBVHZDCISA-N 1 3 373.501 0.858 20 0 FCADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419678423 246244131 /nfs/dbraw/zinc/24/41/31/246244131.db2.gz DQUBGSTWMUXRQT-HZPDHXFCSA-N 1 3 366.506 0.381 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H]1CN ZINC000419709809 246263667 /nfs/dbraw/zinc/26/36/67/246263667.db2.gz KMVJYPVCNXUBGP-CRAIPNDOSA-N 1 3 360.502 0.993 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000419778218 246292958 /nfs/dbraw/zinc/29/29/58/246292958.db2.gz OHANXDMOKLTSPR-ZNMIVQPWSA-N 1 3 354.495 0.188 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419837756 246312614 /nfs/dbraw/zinc/31/26/14/246312614.db2.gz DOLWXYHWMHOBPS-INIZCTEOSA-N 1 3 350.438 0.584 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419851951 246321358 /nfs/dbraw/zinc/32/13/58/246321358.db2.gz BUBHQNXKEPEXHM-CQSZACIVSA-N 1 3 352.504 0.754 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000419879714 246345603 /nfs/dbraw/zinc/34/56/03/246345603.db2.gz ZTBCEZSFLGEAKS-QGZVFWFLSA-N 1 3 362.474 0.439 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419877985 246346994 /nfs/dbraw/zinc/34/69/94/246346994.db2.gz RICOZKRVXYYEBE-IYBDPMFKSA-N 1 3 368.522 0.450 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000419883637 246349829 /nfs/dbraw/zinc/34/98/29/246349829.db2.gz WJSABWKNFDMVBU-IRXDYDNUSA-N 1 3 362.474 0.277 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419885413 246350114 /nfs/dbraw/zinc/35/01/14/246350114.db2.gz BDWOZJIOBMKPAN-MRXNPFEDSA-N 1 3 350.438 0.584 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419945490 246381287 /nfs/dbraw/zinc/38/12/87/246381287.db2.gz SMXLPENUDVMQIV-GFCCVEGCSA-N 1 3 356.417 0.566 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419962988 246391496 /nfs/dbraw/zinc/39/14/96/246391496.db2.gz VTHJYJQWCGJYSZ-BZUAXINKSA-N 1 3 368.522 0.435 20 0 FCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419973619 246395137 /nfs/dbraw/zinc/39/51/37/246395137.db2.gz GRDOJKPCQSAJID-JKSUJKDBSA-N 1 3 367.538 0.103 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423362431 247011765 /nfs/dbraw/zinc/01/17/65/247011765.db2.gz HTEVFACHOGQNNH-CABCVRRESA-N 1 3 350.463 0.756 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423358564 247011915 /nfs/dbraw/zinc/01/19/15/247011915.db2.gz BRRGWRITHSCDDZ-LSDHHAIUSA-N 1 3 364.515 0.706 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423583889 247063590 /nfs/dbraw/zinc/06/35/90/247063590.db2.gz BKBNINJWINAEAH-SFHVURJKSA-N 1 3 364.515 0.850 20 0 FCADHO NC[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423602159 247070259 /nfs/dbraw/zinc/07/02/59/247070259.db2.gz FHSPCORSUSDIIY-CEXWTWQISA-N 1 3 370.497 0.917 20 0 FCADHO NC[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423602159 247070262 /nfs/dbraw/zinc/07/02/62/247070262.db2.gz FHSPCORSUSDIIY-CEXWTWQISA-N 1 3 370.497 0.917 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000423477048 247035421 /nfs/dbraw/zinc/03/54/21/247035421.db2.gz KXPMXRMVLLLWHA-MRXNPFEDSA-N 1 3 362.474 0.393 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000423690907 247110691 /nfs/dbraw/zinc/11/06/91/247110691.db2.gz ZFWYQHNZOAIXOV-ZBFHGGJFSA-N 1 3 354.495 0.284 20 0 FCADHO COC(=O)CCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000423858945 247146987 /nfs/dbraw/zinc/14/69/87/247146987.db2.gz FILCLDXVKGMXGI-OAHLLOKOSA-N 1 3 354.495 0.286 20 0 FCADHO COC(=O)CCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C[C@H]1C ZINC000423901631 247148726 /nfs/dbraw/zinc/14/87/26/247148726.db2.gz UAQNBYVOVQRGLE-OAHLLOKOSA-N 1 3 354.495 0.286 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054673 247287493 /nfs/dbraw/zinc/28/74/93/247287493.db2.gz FQHKSUDMBIZZRG-XLAORIBOSA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1=O ZINC000425054673 247287497 /nfs/dbraw/zinc/28/74/97/247287497.db2.gz FQHKSUDMBIZZRG-XLAORIBOSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H](C(=O)NCCCCN1CCN(CCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444254984 248353161 /nfs/dbraw/zinc/35/31/61/248353161.db2.gz WMSWYCYXMDZLLK-FGTMMUONSA-N 1 3 354.539 0.754 20 0 FCADHO C[C@H](C(=O)NCCCCN1CCN(CCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444254984 248353165 /nfs/dbraw/zinc/35/31/65/248353165.db2.gz WMSWYCYXMDZLLK-FGTMMUONSA-N 1 3 354.539 0.754 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000270973657 211309867 /nfs/dbraw/zinc/30/98/67/211309867.db2.gz KENYMQUONPNKIA-LSDHHAIUSA-N 1 3 362.474 0.857 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1ccoc1CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000270973657 211309871 /nfs/dbraw/zinc/30/98/71/211309871.db2.gz KENYMQUONPNKIA-LSDHHAIUSA-N 1 3 362.474 0.857 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)c2ccoc2CC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000270817303 211275815 /nfs/dbraw/zinc/27/58/15/211275815.db2.gz NJPFBIQDJWBSSG-CABCVRRESA-N 1 3 362.474 0.761 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)Cc2occc2C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000270817303 211275818 /nfs/dbraw/zinc/27/58/18/211275818.db2.gz NJPFBIQDJWBSSG-CABCVRRESA-N 1 3 362.474 0.761 20 0 FCADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000471639213 250112198 /nfs/dbraw/zinc/11/21/98/250112198.db2.gz XIZSAUBKESKFNL-IAGOWNOFSA-N 1 3 356.511 0.632 20 0 FCADHO CCN1CCN(CCC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000472183938 250137396 /nfs/dbraw/zinc/13/73/96/250137396.db2.gz WNVGBLAMAGCXMD-GOSISDBHSA-N 1 3 354.539 0.973 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932552 211119131 /nfs/dbraw/zinc/11/91/31/211119131.db2.gz USNIPNIJVFWMDN-ZDUSSCGKSA-N 1 3 366.466 0.331 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000269932552 211119134 /nfs/dbraw/zinc/11/91/34/211119134.db2.gz USNIPNIJVFWMDN-ZDUSSCGKSA-N 1 3 366.466 0.331 20 0 FCADHO CCN(C)C(=O)[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000473924771 250256528 /nfs/dbraw/zinc/25/65/28/250256528.db2.gz WGYAPLGSRSWSNU-HOTGVXAUSA-N 1 3 355.527 0.911 20 0 FCADHO CCN(C)C(=O)[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000473924771 250256533 /nfs/dbraw/zinc/25/65/33/250256533.db2.gz WGYAPLGSRSWSNU-HOTGVXAUSA-N 1 3 355.527 0.911 20 0 FCADHO CN1CCC(NC(=O)c2cncc(C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000077309777 208071881 /nfs/dbraw/zinc/07/18/81/208071881.db2.gz MCGRJDDANHCTCV-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000106124962 208210878 /nfs/dbraw/zinc/21/08/78/208210878.db2.gz KPBZGWXXHCLBOX-HOTGVXAUSA-N 1 3 368.522 0.090 20 0 FCADHO Cc1cc(=O)n2nc(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)sc2n1 ZINC000106125782 208212023 /nfs/dbraw/zinc/21/20/23/208212023.db2.gz VITOLAUZZLLZGT-CYBMUJFWSA-N 1 3 365.503 0.984 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)CC1 ZINC000178172069 209044903 /nfs/dbraw/zinc/04/49/03/209044903.db2.gz BPBCYGPDEFTION-AWEZNQCLSA-N 1 3 374.489 0.437 20 0 FCADHO COC1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC[NH2+]CC1 ZINC000178873076 209064081 /nfs/dbraw/zinc/06/40/81/209064081.db2.gz LAGBGCGKWZYAEB-UHFFFAOYSA-N 1 3 360.502 0.819 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156162447 229190342 /nfs/dbraw/zinc/19/03/42/229190342.db2.gz GQVMOIUYBRGIHY-ROUUACIJSA-N 1 3 370.538 0.974 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156162687 229191316 /nfs/dbraw/zinc/19/13/16/229191316.db2.gz GQVMOIUYBRGIHY-ZWKOTPCHSA-N 1 3 370.538 0.974 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410436491 230079383 /nfs/dbraw/zinc/07/93/83/230079383.db2.gz RMVUEXJAUNANHC-QGZVFWFLSA-N 1 3 368.522 0.356 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCNC(=O)C3CC3)CC2)CC1 ZINC000051759573 488143016 /nfs/dbraw/zinc/14/30/16/488143016.db2.gz QGDUODWKLKVCEF-UHFFFAOYSA-N 1 3 351.495 0.370 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000562816076 491192153 /nfs/dbraw/zinc/19/21/53/491192153.db2.gz TXLHAYOBNPQLKE-CVEARBPZSA-N 1 3 351.495 0.324 20 0 FCADHO CN1CCN(C(=O)C[NH+]2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000182980602 488391129 /nfs/dbraw/zinc/39/11/29/488391129.db2.gz UWARGGLYCMJRAY-UHFFFAOYSA-N 1 3 352.523 0.585 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000185863959 488402827 /nfs/dbraw/zinc/40/28/27/488402827.db2.gz RLKXKQDHXSJZPI-KRWDZBQOSA-N 1 3 361.538 0.344 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000077797217 488418435 /nfs/dbraw/zinc/41/84/35/488418435.db2.gz QYJVWSKZBKBZSK-INIZCTEOSA-N 1 3 361.490 0.927 20 0 FCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000077836431 488418654 /nfs/dbraw/zinc/41/86/54/488418654.db2.gz QYCPFKCYYQWCRW-CVEARBPZSA-N 1 3 355.527 0.911 20 0 FCADHO C[C@@H](NCCOCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268727138 488445381 /nfs/dbraw/zinc/44/53/81/488445381.db2.gz MPWKBQFOHBQIHO-OAHLLOKOSA-N 1 3 373.519 0.576 20 0 FCADHO CN1CCC(CNC(=O)CNC[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000237158946 488454623 /nfs/dbraw/zinc/45/46/23/488454623.db2.gz CTSCUWSWMRJHKY-KRWDZBQOSA-N 1 3 352.523 0.822 20 0 FCADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000237986127 488457736 /nfs/dbraw/zinc/45/77/36/488457736.db2.gz IODSQWJSJAGXJZ-UHFFFAOYSA-N 1 3 359.518 0.610 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000103211434 488499970 /nfs/dbraw/zinc/49/99/70/488499970.db2.gz MBQBNHRJTMTBJT-HZPDHXFCSA-N 1 3 366.506 0.504 20 0 FCADHO CC1CC[NH+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000103305325 488500722 /nfs/dbraw/zinc/50/07/22/488500722.db2.gz OGUKHQUYCHVNNP-UHFFFAOYSA-N 1 3 365.522 0.668 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103616972 488503306 /nfs/dbraw/zinc/50/33/06/488503306.db2.gz SLUIMAMXFFGAHX-UHFFFAOYSA-N 1 3 367.538 0.914 20 0 FCADHO CCOC(=O)Cn1nc(C)c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000262020221 488546440 /nfs/dbraw/zinc/54/64/40/488546440.db2.gz WASKEHZLXIEQGR-HNNXBMFYSA-N 1 3 365.478 0.350 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000120462298 488561729 /nfs/dbraw/zinc/56/17/29/488561729.db2.gz QBCWTVMJZBKEIT-IXDOHACOSA-N 1 3 367.538 0.911 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000120462298 488561730 /nfs/dbraw/zinc/56/17/30/488561730.db2.gz QBCWTVMJZBKEIT-IXDOHACOSA-N 1 3 367.538 0.911 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1)[C@H]1CCCN(C)C1 ZINC000262342589 488565056 /nfs/dbraw/zinc/56/50/56/488565056.db2.gz GIEVAIPNFNBUSZ-GVDBMIGSSA-N 1 3 360.458 0.514 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000121371074 488567247 /nfs/dbraw/zinc/56/72/47/488567247.db2.gz HGFGZFJWCARGDG-GOSISDBHSA-N 1 3 352.479 0.739 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000262575299 488578494 /nfs/dbraw/zinc/57/84/94/488578494.db2.gz IHTNYLZSMHWOSA-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806802 488594418 /nfs/dbraw/zinc/59/44/18/488594418.db2.gz PUMPQXRDAKUKIF-IAGOWNOFSA-N 1 3 362.522 0.811 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cn1 ZINC000262966545 488601254 /nfs/dbraw/zinc/60/12/54/488601254.db2.gz LJCFNCQRZLKASD-WMLDXEAASA-N 1 3 350.467 0.407 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263259017 488607960 /nfs/dbraw/zinc/60/79/60/488607960.db2.gz RYWTYCMOIFACJT-MJGOQNOKSA-N 1 3 360.502 0.767 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263259017 488607963 /nfs/dbraw/zinc/60/79/63/488607963.db2.gz RYWTYCMOIFACJT-MJGOQNOKSA-N 1 3 360.502 0.767 20 0 FCADHO C[C@H]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C[N@H+]1C1CC1 ZINC000129079223 488628995 /nfs/dbraw/zinc/62/89/95/488628995.db2.gz SZEFVBBCHUDLOY-IRXDYDNUSA-N 1 3 367.538 0.301 20 0 FCADHO CN(C)CCNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000133641805 488660972 /nfs/dbraw/zinc/66/09/72/488660972.db2.gz XYQKHDPQQNSTQX-QGZVFWFLSA-N 1 3 361.490 0.745 20 0 FCADHO CN(C)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000133641805 488660973 /nfs/dbraw/zinc/66/09/73/488660973.db2.gz XYQKHDPQQNSTQX-QGZVFWFLSA-N 1 3 361.490 0.745 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000133840042 488661959 /nfs/dbraw/zinc/66/19/59/488661959.db2.gz DXBAIXLCXHXWOQ-UHFFFAOYSA-N 1 3 364.494 0.620 20 0 FCADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCN1C1CCOCC1 ZINC000134155846 488664790 /nfs/dbraw/zinc/66/47/90/488664790.db2.gz OGGAXRPEBCKWHE-MSOLQXFVSA-N 1 3 353.507 0.983 20 0 FCADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCN1C1CCOCC1 ZINC000134155846 488664793 /nfs/dbraw/zinc/66/47/93/488664793.db2.gz OGGAXRPEBCKWHE-MSOLQXFVSA-N 1 3 353.507 0.983 20 0 FCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000152965934 488725471 /nfs/dbraw/zinc/72/54/71/488725471.db2.gz PKJRXJZYMIKPIY-HNNXBMFYSA-N 1 3 364.494 0.764 20 0 FCADHO C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)CN1CCOCC1 ZINC000163422108 488807581 /nfs/dbraw/zinc/80/75/81/488807581.db2.gz UFBJINHTZQJNBS-KRWDZBQOSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)CN1CCOCC1 ZINC000163422108 488807583 /nfs/dbraw/zinc/80/75/83/488807583.db2.gz UFBJINHTZQJNBS-KRWDZBQOSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)CN1CCOCC1 ZINC000163422108 488807585 /nfs/dbraw/zinc/80/75/85/488807585.db2.gz UFBJINHTZQJNBS-KRWDZBQOSA-N 1 3 369.554 0.622 20 0 FCADHO C[NH+](C)CCNC(=O)C1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000171656357 488824902 /nfs/dbraw/zinc/82/49/02/488824902.db2.gz ARYSTWFZUQCMQN-UHFFFAOYSA-N 1 3 371.485 0.855 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364787383 489002469 /nfs/dbraw/zinc/00/24/69/489002469.db2.gz BWIOZTWMCGEHNE-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCCN(C)CC(=O)NC(=O)NCc1cccs1)CC[NH+](C)C ZINC000289451326 489068533 /nfs/dbraw/zinc/06/85/33/489068533.db2.gz PEHFGJKWLLISAJ-UHFFFAOYSA-N 1 3 369.535 0.889 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000331370872 489202681 /nfs/dbraw/zinc/20/26/81/489202681.db2.gz GIBDOJQVZPUIEJ-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)Cc2ccccc2C1 ZINC000570404299 491238749 /nfs/dbraw/zinc/23/87/49/491238749.db2.gz YQGZGJHXUDZHQS-UHFFFAOYSA-N 1 3 372.513 0.789 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331390847 489205514 /nfs/dbraw/zinc/20/55/14/489205514.db2.gz JJVNCKQRQXQUNR-IRXDYDNUSA-N 1 3 350.507 0.776 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000331447061 489212663 /nfs/dbraw/zinc/21/26/63/489212663.db2.gz CFFKYZGJSJIRIR-FPCVCCKLSA-N 1 3 350.507 0.727 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000331449705 489213176 /nfs/dbraw/zinc/21/31/76/489213176.db2.gz YZFPJJBYEFCKHJ-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331449705 489213179 /nfs/dbraw/zinc/21/31/79/489213179.db2.gz YZFPJJBYEFCKHJ-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332842758 489238455 /nfs/dbraw/zinc/23/84/55/489238455.db2.gz OIKAKMJXIYZFOG-BZSNNMDCSA-N 1 3 368.522 0.774 20 0 FCADHO CC[C@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000332906570 489244781 /nfs/dbraw/zinc/24/47/81/489244781.db2.gz WRFPBUURPSTTPE-GJZGRUSLSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000563397170 491241919 /nfs/dbraw/zinc/24/19/19/491241919.db2.gz QRNUPOGLHPHPTA-SJLPKXTDSA-N 1 3 353.532 0.777 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000283460455 489261562 /nfs/dbraw/zinc/26/15/62/489261562.db2.gz NDNFVOJDXPPZHQ-UHFFFAOYSA-N 1 3 350.463 0.770 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000369881670 489286685 /nfs/dbraw/zinc/28/66/85/489286685.db2.gz HTGHBFHKRKXHHO-JKSUJKDBSA-N 1 3 366.506 0.014 20 0 FCADHO C[NH+](C)CCOc1cccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563448714 491247648 /nfs/dbraw/zinc/24/76/48/491247648.db2.gz LXYUZBNTFDTJFB-GDBMZVCRSA-N 1 3 361.446 0.403 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285816637 489321904 /nfs/dbraw/zinc/32/19/04/489321904.db2.gz NPWIKZAKYZRFJL-SFHVURJKSA-N 1 3 360.502 0.687 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000285816637 489321906 /nfs/dbraw/zinc/32/19/06/489321906.db2.gz NPWIKZAKYZRFJL-SFHVURJKSA-N 1 3 360.502 0.687 20 0 FCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183139 489435165 /nfs/dbraw/zinc/43/51/65/489435165.db2.gz OHRZHFBACJNJLA-ZWKOTPCHSA-N 1 3 366.506 0.603 20 0 FCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(CC2CCOCC2)CC1 ZINC000363183139 489435168 /nfs/dbraw/zinc/43/51/68/489435168.db2.gz OHRZHFBACJNJLA-ZWKOTPCHSA-N 1 3 366.506 0.603 20 0 FCADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC(=O)N1CCNC1=O ZINC000371156602 489458243 /nfs/dbraw/zinc/45/82/43/489458243.db2.gz KUJUHRWYTQCPKI-UHFFFAOYSA-N 1 3 365.522 0.666 20 0 FCADHO COC(=O)c1cn(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nn1 ZINC000423097071 489492755 /nfs/dbraw/zinc/49/27/55/489492755.db2.gz AEVFUAYGVUFGFS-RDTXWAMCSA-N 1 3 357.414 0.910 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000423161796 489497950 /nfs/dbraw/zinc/49/79/50/489497950.db2.gz JRJIHSKUODYLNP-RHSMWYFYSA-N 1 3 364.465 0.912 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)o1 ZINC000423171398 489499414 /nfs/dbraw/zinc/49/94/14/489499414.db2.gz OHHXNIPMGWKEGV-INIZCTEOSA-N 1 3 366.462 0.054 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000423199418 489502299 /nfs/dbraw/zinc/50/22/99/489502299.db2.gz BKEOJJRZHBEFGJ-RHSMWYFYSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000423210464 489502493 /nfs/dbraw/zinc/50/24/93/489502493.db2.gz WSNLWHPYANKIRZ-UHFFFAOYSA-N 1 3 356.417 0.533 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000423208585 489502709 /nfs/dbraw/zinc/50/27/09/489502709.db2.gz ZIZLUYAOPHQZFC-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423210833 489503456 /nfs/dbraw/zinc/50/34/56/489503456.db2.gz XRSJANFPQFCIHF-OAHLLOKOSA-N 1 3 352.866 0.790 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000423218107 489504019 /nfs/dbraw/zinc/50/40/19/489504019.db2.gz UWOJZYJMKBWTTR-GDBMZVCRSA-N 1 3 354.495 0.141 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423230790 489505879 /nfs/dbraw/zinc/50/58/79/489505879.db2.gz KCKUJECSNVXZDK-LJQANCHMSA-N 1 3 372.513 0.974 20 0 FCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423231496 489505965 /nfs/dbraw/zinc/50/59/65/489505965.db2.gz LJEPSXQLVMGLQT-GOSISDBHSA-N 1 3 358.486 0.713 20 0 FCADHO Cc1cc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000415390510 489516759 /nfs/dbraw/zinc/51/67/59/489516759.db2.gz GLSMVAPXLKUBBD-OAHLLOKOSA-N 1 3 362.474 0.990 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415479405 489524579 /nfs/dbraw/zinc/52/45/79/489524579.db2.gz HNHUADRVWSPPLI-ZBFHGGJFSA-N 1 3 360.458 0.918 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000415518791 489526676 /nfs/dbraw/zinc/52/66/76/489526676.db2.gz NHBUGAVQFLZEOD-UHFFFAOYSA-N 1 3 361.490 0.883 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c(OCCN(C)C)c1 ZINC000415593955 489533942 /nfs/dbraw/zinc/53/39/42/489533942.db2.gz FUFZHFUYFLQHFD-CQSZACIVSA-N 1 3 364.446 0.060 20 0 FCADHO C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415603827 489535772 /nfs/dbraw/zinc/53/57/72/489535772.db2.gz UZFDIMPUYHYXEU-CQSZACIVSA-N 1 3 359.474 0.621 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000415675815 489540595 /nfs/dbraw/zinc/54/05/95/489540595.db2.gz QNXSVVUADBKFSE-BETUJISGSA-N 1 3 364.421 0.382 20 0 FCADHO COc1ccccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555637749 491261565 /nfs/dbraw/zinc/26/15/65/491261565.db2.gz KWMULZPLDOPMNN-UHFFFAOYSA-N 1 3 350.463 0.263 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415754430 489550169 /nfs/dbraw/zinc/55/01/69/489550169.db2.gz ZMEXNBWTCFFLHN-CABCVRRESA-N 1 3 360.458 0.633 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)CC1 ZINC000415766200 489551160 /nfs/dbraw/zinc/55/11/60/489551160.db2.gz WKAKUMAEGKSJAF-FVQHAEBGSA-N 1 3 357.458 0.101 20 0 FCADHO O=C(NC[C@H]1CNCCO1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415868711 489562412 /nfs/dbraw/zinc/56/24/12/489562412.db2.gz QSFQWWHZBHWEEC-QGZVFWFLSA-N 1 3 360.458 0.716 20 0 FCADHO [NH3+]CC[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(F)(F)F ZINC000415992796 489567211 /nfs/dbraw/zinc/56/72/11/489567211.db2.gz BUXVFHIDKQOBEP-LBPRGKRZSA-N 1 3 365.400 0.216 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570788563 491264375 /nfs/dbraw/zinc/26/43/75/491264375.db2.gz FXOFZMQYACZHON-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788563 491264377 /nfs/dbraw/zinc/26/43/77/491264377.db2.gz FXOFZMQYACZHON-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000372454901 489586396 /nfs/dbraw/zinc/58/63/96/489586396.db2.gz MHDWAKGJMYSKFN-QZTJIDSGSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000555674734 491265208 /nfs/dbraw/zinc/26/52/08/491265208.db2.gz QIWDHCDBKKGXKF-UHFFFAOYSA-N 1 3 352.504 0.849 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000416969697 489637286 /nfs/dbraw/zinc/63/72/86/489637286.db2.gz LDCSATFVFAJXLV-KRWDZBQOSA-N 1 3 350.463 0.805 20 0 FCADHO CN1CCN(CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](c2ccccc2)C1 ZINC000417013660 489638581 /nfs/dbraw/zinc/63/85/81/489638581.db2.gz CXXPNGUXPGVCNO-ZSYWTGECSA-N 1 3 357.502 0.882 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000417367403 489649379 /nfs/dbraw/zinc/64/93/79/489649379.db2.gz MHOFLMLBDGJFTL-QGZVFWFLSA-N 1 3 360.506 0.893 20 0 FCADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)N1CCN(C)CC1 ZINC000457620291 489651950 /nfs/dbraw/zinc/65/19/50/489651950.db2.gz PMWNKYHUHXLOMF-ZWKOTPCHSA-N 1 3 369.554 0.404 20 0 FCADHO CCCN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000417427976 489652465 /nfs/dbraw/zinc/65/24/65/489652465.db2.gz KBOHSVGPCLBLBE-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000417429828 489652478 /nfs/dbraw/zinc/65/24/78/489652478.db2.gz NXPJUURGAXYHJL-JYJNAYRXSA-N 1 3 353.511 0.616 20 0 FCADHO CCN(CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000417428405 489652535 /nfs/dbraw/zinc/65/25/35/489652535.db2.gz KXLZTMVLEQUJHO-CYBMUJFWSA-N 1 3 351.417 0.606 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417430767 489652575 /nfs/dbraw/zinc/65/25/75/489652575.db2.gz PVWJQFDIGCZKGY-JYJNAYRXSA-N 1 3 353.511 0.840 20 0 FCADHO C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000417479870 489655503 /nfs/dbraw/zinc/65/55/03/489655503.db2.gz LEMFRGGUJMCEEN-QGZVFWFLSA-N 1 3 350.463 0.805 20 0 FCADHO CN(CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417620618 489660060 /nfs/dbraw/zinc/66/00/60/489660060.db2.gz DHSDBSQZVZSYFN-HOCLYGCPSA-N 1 3 351.495 0.370 20 0 FCADHO CCOC1CC(O)(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000373107537 489668862 /nfs/dbraw/zinc/66/88/62/489668862.db2.gz UEJDSCHLDMOYJR-UHFFFAOYSA-N 1 3 368.522 0.774 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555752989 491270452 /nfs/dbraw/zinc/27/04/52/491270452.db2.gz PAOPVVZBZSDPSS-UHFFFAOYSA-N 1 3 354.495 0.206 20 0 FCADHO CN1CCN(CCCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000555758163 491271014 /nfs/dbraw/zinc/27/10/14/491271014.db2.gz VMEBUPGXOJZDMG-UHFFFAOYSA-N 1 3 367.538 0.122 20 0 FCADHO C[NH2+]CCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418335946 489692828 /nfs/dbraw/zinc/69/28/28/489692828.db2.gz WNLVIJFXCJFMDD-KRWDZBQOSA-N 1 3 360.506 0.845 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000418347712 489693278 /nfs/dbraw/zinc/69/32/78/489693278.db2.gz QUHJLASOZAPLHI-JKSUJKDBSA-N 1 3 353.511 0.570 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000418347706 489693427 /nfs/dbraw/zinc/69/34/27/489693427.db2.gz QUHJLASOZAPLHI-CVEARBPZSA-N 1 3 353.511 0.570 20 0 FCADHO CC(C)C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)C(=O)NCCN(C)C ZINC000418352137 489693693 /nfs/dbraw/zinc/69/36/93/489693693.db2.gz SKNBPERJDPBHMY-CVEARBPZSA-N 1 3 355.527 0.768 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000418565773 489707959 /nfs/dbraw/zinc/70/79/59/489707959.db2.gz LXNAIDXAGIQPKQ-IRXDYDNUSA-N 1 3 360.506 0.972 20 0 FCADHO O=C(CNC(=O)NCCC1=CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000418603018 489708999 /nfs/dbraw/zinc/70/89/99/489708999.db2.gz NZKSRWVJHGYIES-UHFFFAOYSA-N 1 3 351.495 0.588 20 0 FCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609334 489709530 /nfs/dbraw/zinc/70/95/30/489709530.db2.gz FHGSIMYPZJSFKB-MGPQQGTHSA-N 1 3 365.444 0.804 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418634511 489713268 /nfs/dbraw/zinc/71/32/68/489713268.db2.gz FQGCCEKGSZDUMZ-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132435 489719528 /nfs/dbraw/zinc/71/95/28/489719528.db2.gz IOEYTCHPHMFSDW-CRAIPNDOSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000459132435 489719532 /nfs/dbraw/zinc/71/95/32/489719532.db2.gz IOEYTCHPHMFSDW-CRAIPNDOSA-N 1 3 353.511 0.713 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418734535 489720951 /nfs/dbraw/zinc/72/09/51/489720951.db2.gz SOPURYHVQMQZHF-WDYCEAGBSA-N 1 3 364.465 0.885 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418733221 489721047 /nfs/dbraw/zinc/72/10/47/489721047.db2.gz VBKRYNFVNAPGDK-HZPDHXFCSA-N 1 3 353.511 0.795 20 0 FCADHO O=C(NC[C@H]1CNCCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418738037 489721348 /nfs/dbraw/zinc/72/13/48/489721348.db2.gz WQYXHVAICNXOPI-OIISXLGYSA-N 1 3 350.438 0.806 20 0 FCADHO O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418779555 489726191 /nfs/dbraw/zinc/72/61/91/489726191.db2.gz ZESZSROIPVNULV-HRCADAONSA-N 1 3 368.428 0.918 20 0 FCADHO CN(C)CCn1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000473993460 489744319 /nfs/dbraw/zinc/74/43/19/489744319.db2.gz LDNXOCBTKHNJJB-UHFFFAOYSA-N 1 3 352.483 0.755 20 0 FCADHO CN(C)CCn1ccc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000473993460 489744323 /nfs/dbraw/zinc/74/43/23/489744323.db2.gz LDNXOCBTKHNJJB-UHFFFAOYSA-N 1 3 352.483 0.755 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000418857100 489760697 /nfs/dbraw/zinc/76/06/97/489760697.db2.gz YCULTNPKVAJECQ-JQHSSLGASA-N 1 3 360.502 0.780 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418865513 489765027 /nfs/dbraw/zinc/76/50/27/489765027.db2.gz MJNGIHFJIWZRLS-OAGGEKHMSA-N 1 3 350.507 0.681 20 0 FCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418866577 489765530 /nfs/dbraw/zinc/76/55/30/489765530.db2.gz OBBJMPAOLSADHS-GJZGRUSLSA-N 1 3 354.495 0.108 20 0 FCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418866577 489765533 /nfs/dbraw/zinc/76/55/33/489765533.db2.gz OBBJMPAOLSADHS-GJZGRUSLSA-N 1 3 354.495 0.108 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418871278 489767992 /nfs/dbraw/zinc/76/79/92/489767992.db2.gz VEQWAZLLLBEMKU-HUUCEWRRSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCCO1 ZINC000418879705 489772213 /nfs/dbraw/zinc/77/22/13/489772213.db2.gz NXFLMHGWVBQNEG-QZWWFDLISA-N 1 3 366.506 0.189 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418885939 489775837 /nfs/dbraw/zinc/77/58/37/489775837.db2.gz ZPUMLZDQMUTILO-PMPSAXMXSA-N 1 3 354.495 0.237 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929714 489778592 /nfs/dbraw/zinc/77/85/92/489778592.db2.gz YKPMHEFULKLCLT-OAHLLOKOSA-N 1 3 366.510 0.943 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(N(C)C)no1 ZINC000430929714 489778595 /nfs/dbraw/zinc/77/85/95/489778595.db2.gz YKPMHEFULKLCLT-OAHLLOKOSA-N 1 3 366.510 0.943 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431033417 489785119 /nfs/dbraw/zinc/78/51/19/489785119.db2.gz PAAFZKBYRNRAAY-QGZVFWFLSA-N 1 3 352.523 0.535 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459899285 489785120 /nfs/dbraw/zinc/78/51/20/489785120.db2.gz QDGIMGUPUPAECV-CALCHBBNSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459899285 489785123 /nfs/dbraw/zinc/78/51/23/489785123.db2.gz QDGIMGUPUPAECV-CALCHBBNSA-N 1 3 367.538 0.023 20 0 FCADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)COC2CNC2)CC1 ZINC000431031197 489785615 /nfs/dbraw/zinc/78/56/15/489785615.db2.gz WHGYDLLZRNXGSA-UHFFFAOYSA-N 1 3 362.474 0.264 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000459908584 489787601 /nfs/dbraw/zinc/78/76/01/489787601.db2.gz QPIISSOCBNGGGE-IRXDYDNUSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459908584 489787605 /nfs/dbraw/zinc/78/76/05/489787605.db2.gz QPIISSOCBNGGGE-IRXDYDNUSA-N 1 3 352.523 0.975 20 0 FCADHO CCN1CCN(CCCCNC(=O)NCCN2CCSCC2)CC1 ZINC000490901824 489789667 /nfs/dbraw/zinc/78/96/67/489789667.db2.gz QUUNQOJRYMHZBY-UHFFFAOYSA-N 1 3 357.568 0.752 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)NCCN2CCSCC2)CC1 ZINC000490901824 489789673 /nfs/dbraw/zinc/78/96/73/489789673.db2.gz QUUNQOJRYMHZBY-UHFFFAOYSA-N 1 3 357.568 0.752 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418915237 489790251 /nfs/dbraw/zinc/79/02/51/489790251.db2.gz IBVIXCASPHWLRB-CUYVQJCZSA-N 1 3 368.522 0.842 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000418945038 489799187 /nfs/dbraw/zinc/79/91/87/489799187.db2.gz KXELWVDBBPVJHW-WBVHZDCISA-N 1 3 362.474 0.199 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000460008856 489816685 /nfs/dbraw/zinc/81/66/85/489816685.db2.gz FPRXVYITGAPVJF-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000460008856 489816690 /nfs/dbraw/zinc/81/66/90/489816690.db2.gz FPRXVYITGAPVJF-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419020433 489820827 /nfs/dbraw/zinc/82/08/27/489820827.db2.gz FTZPYEFDYBSUBD-GJZGRUSLSA-N 1 3 354.495 0.189 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419030255 489825763 /nfs/dbraw/zinc/82/57/63/489825763.db2.gz SVVMWUAXXBMADF-OVYGPGRDSA-N 1 3 368.522 0.434 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419033683 489826062 /nfs/dbraw/zinc/82/60/62/489826062.db2.gz YPKFTTHTHCADDD-XHSDSOJGSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419037524 489829315 /nfs/dbraw/zinc/82/93/15/489829315.db2.gz DCEMTFZFIPPXLN-RDJZCZTQSA-N 1 3 368.522 0.626 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419041373 489831497 /nfs/dbraw/zinc/83/14/97/489831497.db2.gz YKAHGWNUQUDKPS-UHFFFAOYSA-N 1 3 356.536 0.580 20 0 FCADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC[NH3+] ZINC000419051309 489835841 /nfs/dbraw/zinc/83/58/41/489835841.db2.gz BANDWGVVRVOFBH-IAGOWNOFSA-N 1 3 362.474 0.057 20 0 FCADHO C[C@H]1CN(CCC[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCCO1 ZINC000432362796 489838853 /nfs/dbraw/zinc/83/88/53/489838853.db2.gz PDJLFTNTGZBFAU-KRWDZBQOSA-N 1 3 362.522 0.819 20 0 FCADHO C[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)[NH+]1CCCCCC1 ZINC000432523446 489845391 /nfs/dbraw/zinc/84/53/91/489845391.db2.gz NHHJYLUXLGCFFK-SFHVURJKSA-N 1 3 354.539 0.757 20 0 FCADHO CCN1CCO[C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367224 489845753 /nfs/dbraw/zinc/84/57/53/489845753.db2.gz FJZFTFGLNXFWJX-SFHVURJKSA-N 1 3 361.490 0.431 20 0 FCADHO C[NH+](C)Cc1cccc(C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000432533468 489846043 /nfs/dbraw/zinc/84/60/43/489846043.db2.gz CUFBHHMKFMQEQP-UHFFFAOYSA-N 1 3 362.518 0.868 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000419087550 489851559 /nfs/dbraw/zinc/85/15/59/489851559.db2.gz ZZJUYEXUXURQNO-DOTOQJQBSA-N 1 3 362.474 0.672 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000476041171 489863840 /nfs/dbraw/zinc/86/38/40/489863840.db2.gz LGFKQSGVQLRWIF-GOSISDBHSA-N 1 3 369.554 0.502 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000476041171 489863844 /nfs/dbraw/zinc/86/38/44/489863844.db2.gz LGFKQSGVQLRWIF-GOSISDBHSA-N 1 3 369.554 0.502 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCCCCC1 ZINC000419121913 489866211 /nfs/dbraw/zinc/86/62/11/489866211.db2.gz FIUBETCURIFFNX-CVEARBPZSA-N 1 3 354.495 0.108 20 0 FCADHO [NH3+]C1CCN(CCCC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000433116331 489866574 /nfs/dbraw/zinc/86/65/74/489866574.db2.gz KQQNPMLGDQMFEF-GOSISDBHSA-N 1 3 370.563 0.514 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419982269 489872316 /nfs/dbraw/zinc/87/23/16/489872316.db2.gz BCKZWMBXOVWDJJ-OAGGEKHMSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419991569 489874766 /nfs/dbraw/zinc/87/47/66/489874766.db2.gz KTACSJXTSURSGJ-GFCCVEGCSA-N 1 3 356.417 0.709 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000419992602 489875517 /nfs/dbraw/zinc/87/55/17/489875517.db2.gz LOOMSEHOLWLSQL-AWEZNQCLSA-N 1 3 350.463 0.439 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419993968 489875675 /nfs/dbraw/zinc/87/56/75/489875675.db2.gz KZURVQYXINDFQF-SOUVJXGZSA-N 1 3 354.495 0.188 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000420008659 489879532 /nfs/dbraw/zinc/87/95/32/489879532.db2.gz DNGWVHBMILYCCH-MRXNPFEDSA-N 1 3 352.454 0.815 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420012954 489880487 /nfs/dbraw/zinc/88/04/87/489880487.db2.gz JKEVYAZGUMLWSF-HLLBOEOZSA-N 1 3 368.522 0.434 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420021827 489883444 /nfs/dbraw/zinc/88/34/44/489883444.db2.gz IRZFSHQSHQYTIK-SOUVJXGZSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420030663 489887276 /nfs/dbraw/zinc/88/72/76/489887276.db2.gz GPWDWFKXPXHSTG-TUVASFSCSA-N 1 3 354.495 0.452 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000420030663 489887281 /nfs/dbraw/zinc/88/72/81/489887281.db2.gz GPWDWFKXPXHSTG-TUVASFSCSA-N 1 3 354.495 0.452 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@@H]1C ZINC000420046833 489892684 /nfs/dbraw/zinc/89/26/84/489892684.db2.gz VWHQYEQZHBQIIZ-AJNGGQMLSA-N 1 3 354.495 0.547 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C[C@@H]1C ZINC000420046833 489892686 /nfs/dbraw/zinc/89/26/86/489892686.db2.gz VWHQYEQZHBQIIZ-AJNGGQMLSA-N 1 3 354.495 0.547 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)C2)CC1 ZINC000420058066 489896372 /nfs/dbraw/zinc/89/63/72/489896372.db2.gz DTERSGAQZWVYMP-IRXDYDNUSA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420060251 489898068 /nfs/dbraw/zinc/89/80/68/489898068.db2.gz KXEYHMSSCHLPSR-GOEBONIOSA-N 1 3 350.463 0.804 20 0 FCADHO CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000420062290 489898647 /nfs/dbraw/zinc/89/86/47/489898647.db2.gz MEEUKICNDPPVQQ-GOSISDBHSA-N 1 3 358.486 0.963 20 0 FCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000420083726 489906576 /nfs/dbraw/zinc/90/65/76/489906576.db2.gz UMRYCGKTSYTTKD-HNNXBMFYSA-N 1 3 367.538 0.247 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000555965683 491286363 /nfs/dbraw/zinc/28/63/63/491286363.db2.gz VITKTQTVSHUOJG-QGZVFWFLSA-N 1 3 367.538 0.119 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420090201 489908140 /nfs/dbraw/zinc/90/81/40/489908140.db2.gz KZQDRQNFWPXPEP-UHFFFAOYSA-N 1 3 368.428 0.853 20 0 FCADHO O=C(NCc1ccc2c(c1)CNC2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420103222 489912966 /nfs/dbraw/zinc/91/29/66/489912966.db2.gz OZXQQBMJFGPIKO-MRXNPFEDSA-N 1 3 356.470 0.850 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000461521860 489916176 /nfs/dbraw/zinc/91/61/76/489916176.db2.gz VWRSXNFTROJMOA-SFHVURJKSA-N 1 3 365.478 0.278 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576194 489924033 /nfs/dbraw/zinc/92/40/33/489924033.db2.gz AIMIIUIIRBVILA-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCOC)CCN(C)C)CC1=O ZINC000377576194 489924039 /nfs/dbraw/zinc/92/40/39/489924039.db2.gz AIMIIUIIRBVILA-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000477029926 489933453 /nfs/dbraw/zinc/93/34/53/489933453.db2.gz CSPABXSDCDFITK-OAHLLOKOSA-N 1 3 370.538 0.839 20 0 FCADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661137 489938156 /nfs/dbraw/zinc/93/81/56/489938156.db2.gz CRQRMJRWOCRSLD-FUHWJXTLSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000377661137 489938159 /nfs/dbraw/zinc/93/81/59/489938159.db2.gz CRQRMJRWOCRSLD-FUHWJXTLSA-N 1 3 351.539 0.249 20 0 FCADHO C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)N1CCN(C)CC1 ZINC000377661137 489938160 /nfs/dbraw/zinc/93/81/60/489938160.db2.gz CRQRMJRWOCRSLD-FUHWJXTLSA-N 1 3 351.539 0.249 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000477093651 489941662 /nfs/dbraw/zinc/94/16/62/489941662.db2.gz DVHKXGSCHGPFIN-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000420188618 489945971 /nfs/dbraw/zinc/94/59/71/489945971.db2.gz FOWCPQSNRLYKHS-GJZGRUSLSA-N 1 3 350.463 0.722 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420190267 489946905 /nfs/dbraw/zinc/94/69/05/489946905.db2.gz PHXKDWDSRAHGOM-AWEZNQCLSA-N 1 3 368.503 0.133 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000420198448 489949382 /nfs/dbraw/zinc/94/93/82/489949382.db2.gz CKFBDMHFCWAOOE-OVYGPGRDSA-N 1 3 350.507 0.727 20 0 FCADHO NC1(CNC(=O)C(=O)N2CCC[C@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420214338 489954525 /nfs/dbraw/zinc/95/45/25/489954525.db2.gz ZQYAFIQAJBQTFZ-KRWDZBQOSA-N 1 3 374.485 0.079 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377806335 489960252 /nfs/dbraw/zinc/96/02/52/489960252.db2.gz DSQRCPCKXIGBCL-DLBZAZTESA-N 1 3 350.507 0.635 20 0 FCADHO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299036 489961305 /nfs/dbraw/zinc/96/13/05/489961305.db2.gz GDMROJIMIFUBJK-BVBHFADKSA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420299036 489961309 /nfs/dbraw/zinc/96/13/09/489961309.db2.gz GDMROJIMIFUBJK-BVBHFADKSA-N 1 3 363.502 0.780 20 0 FCADHO COCCNC(=O)[C@H]1CC[C@@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299036 489961314 /nfs/dbraw/zinc/96/13/14/489961314.db2.gz GDMROJIMIFUBJK-BVBHFADKSA-N 1 3 363.502 0.780 20 0 FCADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305649 489961655 /nfs/dbraw/zinc/96/16/55/489961655.db2.gz ZBKQUGHIKYTMDQ-ZWKOTPCHSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305649 489961659 /nfs/dbraw/zinc/96/16/59/489961659.db2.gz ZBKQUGHIKYTMDQ-ZWKOTPCHSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305649 489961662 /nfs/dbraw/zinc/96/16/62/489961662.db2.gz ZBKQUGHIKYTMDQ-ZWKOTPCHSA-N 1 3 360.502 0.881 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)CN[C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374766 489969909 /nfs/dbraw/zinc/96/99/09/489969909.db2.gz SJLIKEXXHAEMSI-QZTJIDSGSA-N 1 3 354.539 0.957 20 0 FCADHO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@H](CN)C2CCCCC2)C1 ZINC000420374766 489969911 /nfs/dbraw/zinc/96/99/11/489969911.db2.gz SJLIKEXXHAEMSI-QZTJIDSGSA-N 1 3 354.539 0.957 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420407650 489972769 /nfs/dbraw/zinc/97/27/69/489972769.db2.gz UVVWYHSNHBQLMW-IUODEOHRSA-N 1 3 357.524 0.952 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420434703 489975721 /nfs/dbraw/zinc/97/57/21/489975721.db2.gz KWISSGFVVACSRZ-HNNXBMFYSA-N 1 3 357.524 0.857 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000477628075 489978947 /nfs/dbraw/zinc/97/89/47/489978947.db2.gz SAKVSPVFEAPPSP-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420467421 489981993 /nfs/dbraw/zinc/98/19/93/489981993.db2.gz XFJWTZUXAHJDJJ-LSDHHAIUSA-N 1 3 357.524 0.857 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000477647866 489982052 /nfs/dbraw/zinc/98/20/52/489982052.db2.gz SVCSJPOKMLVCNH-MRXNPFEDSA-N 1 3 366.506 0.158 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420468927 489982787 /nfs/dbraw/zinc/98/27/87/489982787.db2.gz YJGYMBIMJPSTBS-WFASDCNBSA-N 1 3 357.524 0.809 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000477678788 489984355 /nfs/dbraw/zinc/98/43/55/489984355.db2.gz NWRHEHJIFFNEMN-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000477678788 489984361 /nfs/dbraw/zinc/98/43/61/489984361.db2.gz NWRHEHJIFFNEMN-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1=O ZINC000377962008 489987906 /nfs/dbraw/zinc/98/79/06/489987906.db2.gz SRUQFWJVWUSVIB-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462887231 489995026 /nfs/dbraw/zinc/99/50/26/489995026.db2.gz ACBYWBNZGKNXAA-VSZNYVQBSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@@H](O)c1cn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1 ZINC000378146587 490017326 /nfs/dbraw/zinc/01/73/26/490017326.db2.gz GTDTYWMMUPPIEN-CYBMUJFWSA-N 1 3 350.467 0.006 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420979849 490038343 /nfs/dbraw/zinc/03/83/43/490038343.db2.gz KTJOESISGZCLGH-OAHLLOKOSA-N 1 3 353.511 0.713 20 0 FCADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420979849 490038347 /nfs/dbraw/zinc/03/83/47/490038347.db2.gz KTJOESISGZCLGH-OAHLLOKOSA-N 1 3 353.511 0.713 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420979847 490038778 /nfs/dbraw/zinc/03/87/78/490038778.db2.gz KTJOESISGZCLGH-HNNXBMFYSA-N 1 3 353.511 0.713 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420979847 490038783 /nfs/dbraw/zinc/03/87/83/490038783.db2.gz KTJOESISGZCLGH-HNNXBMFYSA-N 1 3 353.511 0.713 20 0 FCADHO CN1CCN(CCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC000441663247 490055482 /nfs/dbraw/zinc/05/54/82/490055482.db2.gz LNWOLEMRDXVBBC-UHFFFAOYSA-N 1 3 351.499 0.592 20 0 FCADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000443057439 490065865 /nfs/dbraw/zinc/06/58/65/490065865.db2.gz GOYHCLZXMLKMKJ-MRXNPFEDSA-N 1 3 350.507 0.908 20 0 FCADHO NC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202475 490073909 /nfs/dbraw/zinc/07/39/09/490073909.db2.gz QMJSEAFCDAZVRE-GOEBONIOSA-N 1 3 350.438 0.572 20 0 FCADHO NC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000479202475 490073911 /nfs/dbraw/zinc/07/39/11/490073911.db2.gz QMJSEAFCDAZVRE-GOEBONIOSA-N 1 3 350.438 0.572 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000519815854 490088823 /nfs/dbraw/zinc/08/88/23/490088823.db2.gz YMWMXRBUPFWSED-CVEARBPZSA-N 1 3 365.522 0.713 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000532672971 490094152 /nfs/dbraw/zinc/09/41/52/490094152.db2.gz BMEMFSPZFHJIBP-MOPGFXCFSA-N 1 3 366.550 0.898 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)CSCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704833 490099579 /nfs/dbraw/zinc/09/95/79/490099579.db2.gz PXINFNCKIUFQGD-HOTGVXAUSA-N 1 3 370.563 0.825 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)CSCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704833 490099586 /nfs/dbraw/zinc/09/95/86/490099586.db2.gz PXINFNCKIUFQGD-HOTGVXAUSA-N 1 3 370.563 0.825 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCNCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379677476 490125366 /nfs/dbraw/zinc/12/53/66/490125366.db2.gz CPIQACGNTQKIFU-AEFFLSMTSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCNCC2)CC[N@H+]1Cc1ccccc1 ZINC000379677476 490125376 /nfs/dbraw/zinc/12/53/76/490125376.db2.gz CPIQACGNTQKIFU-AEFFLSMTSA-N 1 3 358.486 0.978 20 0 FCADHO COCCCN(C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000465864951 490149947 /nfs/dbraw/zinc/14/99/47/490149947.db2.gz RUUKBDSWMSNARO-UHFFFAOYSA-N 1 3 356.511 0.899 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950512 490156586 /nfs/dbraw/zinc/15/65/86/490156586.db2.gz OVHHTSFXZKVBGV-JKSUJKDBSA-N 1 3 353.511 0.747 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465950512 490156591 /nfs/dbraw/zinc/15/65/91/490156591.db2.gz OVHHTSFXZKVBGV-JKSUJKDBSA-N 1 3 353.511 0.747 20 0 FCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)NC3C[NH2+]C3)CC2)c1 ZINC000520774585 490189966 /nfs/dbraw/zinc/18/99/66/490189966.db2.gz ZIICWBSPLQPGNF-UHFFFAOYSA-N 1 3 373.501 0.101 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000497685978 490192845 /nfs/dbraw/zinc/19/28/45/490192845.db2.gz FHTMSHLWDOHLDV-BRWVUGGUSA-N 1 3 365.522 0.665 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000497685978 490192854 /nfs/dbraw/zinc/19/28/54/490192854.db2.gz FHTMSHLWDOHLDV-BRWVUGGUSA-N 1 3 365.522 0.665 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000497707404 490198421 /nfs/dbraw/zinc/19/84/21/490198421.db2.gz ZFWOMRDNNJOOKM-UHFFFAOYSA-N 1 3 369.554 0.766 20 0 FCADHO Cc1c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000564448292 491307544 /nfs/dbraw/zinc/30/75/44/491307544.db2.gz LLGWIGBIMMBCBM-MRXNPFEDSA-N 1 3 364.494 0.334 20 0 FCADHO O=C(NCC1(N2CCCC2)CCOCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000521231468 490238628 /nfs/dbraw/zinc/23/86/28/490238628.db2.gz NWLWKKBRHIVUIR-HNNXBMFYSA-N 1 3 362.478 0.405 20 0 FCADHO CN(CCN1CCCC1)C(=O)CSCC(=O)N(C)CC[NH+]1CCCC1 ZINC000533811504 490284853 /nfs/dbraw/zinc/28/48/53/490284853.db2.gz FJMFKPBBPRUAKW-UHFFFAOYSA-N 1 3 370.563 0.828 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000557381367 491371348 /nfs/dbraw/zinc/37/13/48/491371348.db2.gz OTSYMPBVYKBRNW-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)[C@H]3CCCO3)CC2)CC1 ZINC000447983762 490307197 /nfs/dbraw/zinc/30/71/97/490307197.db2.gz UCBXXOFLZLPPPL-IAGOWNOFSA-N 1 3 354.495 0.384 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000422497013 490360974 /nfs/dbraw/zinc/36/09/74/490360974.db2.gz UYLXPNDSBULAGX-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000422497013 490360978 /nfs/dbraw/zinc/36/09/78/490360978.db2.gz UYLXPNDSBULAGX-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289279 490366341 /nfs/dbraw/zinc/36/63/41/490366341.db2.gz ANDOFEQBJDHTEC-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000522289279 490366351 /nfs/dbraw/zinc/36/63/51/490366351.db2.gz ANDOFEQBJDHTEC-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289278 490366951 /nfs/dbraw/zinc/36/69/51/490366951.db2.gz ANDOFEQBJDHTEC-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289278 490366958 /nfs/dbraw/zinc/36/69/58/490366958.db2.gz ANDOFEQBJDHTEC-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000468342646 490391423 /nfs/dbraw/zinc/39/14/23/490391423.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342646 490391428 /nfs/dbraw/zinc/39/14/28/490391428.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@H+](C)CC ZINC000468342646 490391431 /nfs/dbraw/zinc/39/14/31/490391431.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 1 3 368.522 0.354 20 0 FCADHO CCN(C)CCNC(=O)[C@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000468342646 490391436 /nfs/dbraw/zinc/39/14/36/490391436.db2.gz UPPCRGMVOBWUJN-OIISXLGYSA-N 1 3 368.522 0.354 20 0 FCADHO Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556620383 491323359 /nfs/dbraw/zinc/32/33/59/491323359.db2.gz YZBGXERTCHOZSN-QGZVFWFLSA-N 1 3 362.518 0.994 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739115 491324254 /nfs/dbraw/zinc/32/42/54/491324254.db2.gz BHGVUVJPFWASBD-RCCFBDPRSA-N 1 3 371.485 0.462 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739115 491324256 /nfs/dbraw/zinc/32/42/56/491324256.db2.gz BHGVUVJPFWASBD-RCCFBDPRSA-N 1 3 371.485 0.462 20 0 FCADHO COCCN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000523000980 490426931 /nfs/dbraw/zinc/42/69/31/490426931.db2.gz HSUTUFDXEWQODO-INIZCTEOSA-N 1 3 368.522 0.897 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000509739908 490459503 /nfs/dbraw/zinc/45/95/03/490459503.db2.gz WTBNCDZUMCDHCY-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000509739908 490459507 /nfs/dbraw/zinc/45/95/07/490459507.db2.gz WTBNCDZUMCDHCY-HOTGVXAUSA-N 1 3 354.495 0.014 20 0 FCADHO C[N@H+](CCCN1CCCC1)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000499909544 490467513 /nfs/dbraw/zinc/46/75/13/490467513.db2.gz VYCILYSXDDDBEU-UHFFFAOYSA-N 1 3 360.506 0.933 20 0 FCADHO C[N@@H+](CCCN1CCCC1)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000499909544 490467519 /nfs/dbraw/zinc/46/75/19/490467519.db2.gz VYCILYSXDDDBEU-UHFFFAOYSA-N 1 3 360.506 0.933 20 0 FCADHO CC[NH+]1CCC(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523630537 490480125 /nfs/dbraw/zinc/48/01/25/490480125.db2.gz SFVLXMDDJRNVIS-MRXNPFEDSA-N 1 3 353.511 0.713 20 0 FCADHO CN1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)cs2)C1 ZINC000523693095 490486348 /nfs/dbraw/zinc/48/63/48/490486348.db2.gz VDDVHAMBFNXAJB-NWDGAFQWSA-N 1 3 351.476 0.601 20 0 FCADHO CN1CC[C@@H](C(=O)Nc2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cs2)C1 ZINC000523693095 490486353 /nfs/dbraw/zinc/48/63/53/490486353.db2.gz VDDVHAMBFNXAJB-NWDGAFQWSA-N 1 3 351.476 0.601 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413173884 490499536 /nfs/dbraw/zinc/49/95/36/490499536.db2.gz HOSSUDVBCVQZQU-QGZVFWFLSA-N 1 3 369.554 0.813 20 0 FCADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423019612 490521292 /nfs/dbraw/zinc/52/12/92/490521292.db2.gz WMMXMVPKKJHLSS-CQSZACIVSA-N 1 3 352.504 0.978 20 0 FCADHO COc1ccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000564894699 491333799 /nfs/dbraw/zinc/33/37/99/491333799.db2.gz PYXUCWDWBLFVSA-QZTJIDSGSA-N 1 3 374.485 0.817 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485499881 490536126 /nfs/dbraw/zinc/53/61/26/490536126.db2.gz DRDOKNWBPRLWDV-GJZGRUSLSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000485499881 490536129 /nfs/dbraw/zinc/53/61/29/490536129.db2.gz DRDOKNWBPRLWDV-GJZGRUSLSA-N 1 3 350.507 0.966 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CCN(CCc2ccccc2)CC1 ZINC000564911546 491336191 /nfs/dbraw/zinc/33/61/91/491336191.db2.gz ZAJZXNOXSHXWBA-SFHVURJKSA-N 1 3 358.486 0.678 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000525302923 490595512 /nfs/dbraw/zinc/59/55/12/490595512.db2.gz ZNBLNHXGFUFVRZ-IAGOWNOFSA-N 1 3 365.522 0.844 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000525302923 490595517 /nfs/dbraw/zinc/59/55/17/490595517.db2.gz ZNBLNHXGFUFVRZ-IAGOWNOFSA-N 1 3 365.522 0.844 20 0 FCADHO COC(=O)C[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000564952814 491339970 /nfs/dbraw/zinc/33/99/70/491339970.db2.gz OWDXBEOCAFROQL-AWEZNQCLSA-N 1 3 363.462 0.473 20 0 FCADHO CCC[C@@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CCN1CCOC ZINC000501607181 490622509 /nfs/dbraw/zinc/62/25/09/490622509.db2.gz ZQWMGVYQPMJKIJ-GOSISDBHSA-N 1 3 354.539 0.973 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501619631 490624871 /nfs/dbraw/zinc/62/48/71/490624871.db2.gz CQXMJFJLEKSDGB-QGPMSJSTSA-N 1 3 362.518 0.966 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501619631 490624876 /nfs/dbraw/zinc/62/48/76/490624876.db2.gz CQXMJFJLEKSDGB-QGPMSJSTSA-N 1 3 362.518 0.966 20 0 FCADHO C[NH+]1CCC(CNC(=O)N[C@H]2CCN(C3CC3)C2)(N2CCOCC2)CC1 ZINC000556849162 491340939 /nfs/dbraw/zinc/34/09/39/491340939.db2.gz JJDICZJUBMWWAM-INIZCTEOSA-N 1 3 365.522 0.319 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC000486444960 490626323 /nfs/dbraw/zinc/62/63/23/490626323.db2.gz XWAWYENJFIYVCG-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122045 490626817 /nfs/dbraw/zinc/62/68/17/490626817.db2.gz ONZRCHKSDZJROY-RDTXWAMCSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635903 490627538 /nfs/dbraw/zinc/62/75/38/490627538.db2.gz GVRXVVFZFNJFMG-DLBZAZTESA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635903 490627543 /nfs/dbraw/zinc/62/75/43/490627543.db2.gz GVRXVVFZFNJFMG-DLBZAZTESA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501637638 490629852 /nfs/dbraw/zinc/62/98/52/490629852.db2.gz JFGINNWDLIUSEJ-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)N1CCC(C)CC1 ZINC000512243132 490667092 /nfs/dbraw/zinc/66/70/92/490667092.db2.gz OIMGMMIDDHCYBB-SFHVURJKSA-N 1 3 354.539 0.613 20 0 FCADHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292992 490672034 /nfs/dbraw/zinc/67/20/34/490672034.db2.gz CRGQVXFQHUQGBJ-CYBMUJFWSA-N 1 3 354.476 0.546 20 0 FCADHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000512292992 490672039 /nfs/dbraw/zinc/67/20/39/490672039.db2.gz CRGQVXFQHUQGBJ-CYBMUJFWSA-N 1 3 354.476 0.546 20 0 FCADHO COc1c(F)cc(F)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527374187 490720473 /nfs/dbraw/zinc/72/04/73/490720473.db2.gz XRBWAXVNYAOAFE-UHFFFAOYSA-N 1 3 372.416 0.864 20 0 FCADHO Cc1cc(N2CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC2)n[nH]1 ZINC000527380456 490721548 /nfs/dbraw/zinc/72/15/48/490721548.db2.gz KMIIAYBVFZXSTP-UHFFFAOYSA-N 1 3 365.526 0.822 20 0 FCADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000565156136 491356209 /nfs/dbraw/zinc/35/62/09/491356209.db2.gz IEELOITYNQCWHS-HIFRSBDPSA-N 1 3 368.503 0.194 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCNS(C)(=O)=O)CC2)CC1 ZINC000515343587 490820660 /nfs/dbraw/zinc/82/06/60/490820660.db2.gz QAEPISJYMJXPAE-UHFFFAOYSA-N 1 3 374.551 0.238 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC000565184924 491358452 /nfs/dbraw/zinc/35/84/52/491358452.db2.gz DVMLABDTRXWHBE-IRXDYDNUSA-N 1 3 366.506 0.332 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672707 490835151 /nfs/dbraw/zinc/83/51/51/490835151.db2.gz JEHVNLKEEHHRDX-KZNAEPCWSA-N 1 3 371.485 0.777 20 0 FCADHO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)NC1CNC1 ZINC000557248930 491361633 /nfs/dbraw/zinc/36/16/33/491361633.db2.gz SXCVVRZJWBFVOM-UHFFFAOYSA-N 1 3 372.513 0.926 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCO1 ZINC000516207292 490857100 /nfs/dbraw/zinc/85/71/00/490857100.db2.gz MSHUZCGXGSYJKD-SJORKVTESA-N 1 3 366.506 0.300 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCO1 ZINC000516207292 490857102 /nfs/dbraw/zinc/85/71/02/490857102.db2.gz MSHUZCGXGSYJKD-SJORKVTESA-N 1 3 366.506 0.300 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000516569596 490868917 /nfs/dbraw/zinc/86/89/17/490868917.db2.gz VXSIMRHIQUBHGK-MRXNPFEDSA-N 1 3 355.508 0.436 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000517059594 490893380 /nfs/dbraw/zinc/89/33/80/490893380.db2.gz WGLOTFUUSCVPOQ-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243391 490894952 /nfs/dbraw/zinc/89/49/52/490894952.db2.gz XSUBYMOWFIUEMG-AEFFLSMTSA-N 1 3 352.523 0.630 20 0 FCADHO COCCN(C)CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517145877 490896863 /nfs/dbraw/zinc/89/68/63/490896863.db2.gz XQUUODVMWJVBRC-UHFFFAOYSA-N 1 3 356.511 0.899 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)c3ccc4c(ccn4CCC[NH3+])c3)CCN2C1=O ZINC000565237009 491363518 /nfs/dbraw/zinc/36/35/18/491363518.db2.gz OTBPFAQCPDULII-JKSUJKDBSA-N 1 3 355.442 0.374 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000542777820 490908566 /nfs/dbraw/zinc/90/85/66/490908566.db2.gz CCWGOKQUBDSPMG-RDJZCZTQSA-N 1 3 365.522 0.665 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000517703895 490917250 /nfs/dbraw/zinc/91/72/50/490917250.db2.gz VLIRTWVLKUAKMK-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703895 490917252 /nfs/dbraw/zinc/91/72/52/490917252.db2.gz VLIRTWVLKUAKMK-IAGOWNOFSA-N 1 3 365.522 0.666 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000517918512 490924373 /nfs/dbraw/zinc/92/43/73/490924373.db2.gz VBJDCIXAHGSBFE-NVXWUHKLSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565253878 491366118 /nfs/dbraw/zinc/36/61/18/491366118.db2.gz KLTIVABAYLTWBD-KFWWJZLASA-N 1 3 351.495 0.450 20 0 FCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565253878 491366119 /nfs/dbraw/zinc/36/61/19/491366119.db2.gz KLTIVABAYLTWBD-KFWWJZLASA-N 1 3 351.495 0.450 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000673484467 493334686 /nfs/dbraw/zinc/33/46/86/493334686.db2.gz WZEYFFCVQGGJDD-NRFANRHFSA-N 1 3 372.513 0.772 20 0 FCADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)CC[NH2+]CC1 ZINC000602018329 491956799 /nfs/dbraw/zinc/95/67/99/491956799.db2.gz ACKBACGUQXLNOM-GOEBONIOSA-N 1 3 367.490 0.677 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC1 ZINC000569483368 491163832 /nfs/dbraw/zinc/16/38/32/491163832.db2.gz HLNZBGGSOSMNFG-UHFFFAOYSA-N 1 3 354.495 0.156 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000569624785 491175330 /nfs/dbraw/zinc/17/53/30/491175330.db2.gz YWHPAXUFZLFEIL-UHFFFAOYSA-N 1 3 374.551 0.190 20 0 FCADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)C1(C)C ZINC000569719466 491185303 /nfs/dbraw/zinc/18/53/03/491185303.db2.gz BPQRCWSCNCKJOR-GPMSIDNRSA-N 1 3 352.523 0.757 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000572527491 491376860 /nfs/dbraw/zinc/37/68/60/491376860.db2.gz YEROKRKZYBTJKY-HNNXBMFYSA-N 1 3 362.478 0.737 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000565610664 491389025 /nfs/dbraw/zinc/38/90/25/491389025.db2.gz XXPHKOLITBOPFF-HNNXBMFYSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000557751273 491396067 /nfs/dbraw/zinc/39/60/67/491396067.db2.gz RCVYZQAVQOJELS-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000557751273 491396068 /nfs/dbraw/zinc/39/60/68/491396068.db2.gz RCVYZQAVQOJELS-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845402 491397073 /nfs/dbraw/zinc/39/70/73/491397073.db2.gz QNUPHNFJHIZAIC-IXDOHACOSA-N 1 3 366.506 0.141 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000572897666 491400525 /nfs/dbraw/zinc/40/05/25/491400525.db2.gz RNUIGPJBKFPMMF-MRXNPFEDSA-N 1 3 350.511 0.448 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H](C)C1 ZINC000573102917 491413241 /nfs/dbraw/zinc/41/32/41/491413241.db2.gz RBSNOBZYFHYIMY-CVEARBPZSA-N 1 3 356.511 0.260 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H](C)C1 ZINC000573102917 491413244 /nfs/dbraw/zinc/41/32/44/491413244.db2.gz RBSNOBZYFHYIMY-CVEARBPZSA-N 1 3 356.511 0.260 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N(CCOC)CCN(C)C)CC1 ZINC000573141182 491415880 /nfs/dbraw/zinc/41/58/80/491415880.db2.gz VGMDRAMOABWDQU-UHFFFAOYSA-N 1 3 371.526 0.197 20 0 FCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000558135360 491415995 /nfs/dbraw/zinc/41/59/95/491415995.db2.gz LTOWVVUMISHIDR-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO [NH3+]CC1(O)CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000573443548 491433766 /nfs/dbraw/zinc/43/37/66/491433766.db2.gz URJSBRDBSKDIJE-UHFFFAOYSA-N 1 3 360.502 0.901 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000573490349 491436940 /nfs/dbraw/zinc/43/69/40/491436940.db2.gz MLMOGFOPYJKYGG-KGLIPLIRSA-N 1 3 352.454 0.958 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000573547199 491439838 /nfs/dbraw/zinc/43/98/38/491439838.db2.gz XQPIDOOFYBBIFC-ATZDWAIDSA-N 1 3 372.513 0.874 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cn1 ZINC000573962750 491466039 /nfs/dbraw/zinc/46/60/39/491466039.db2.gz NUFYPNIVXIZXEM-KRWDZBQOSA-N 1 3 372.473 0.980 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000566858841 491471698 /nfs/dbraw/zinc/47/16/98/491471698.db2.gz AVDBZPDHKOHCCV-KRWDZBQOSA-N 1 3 370.444 0.955 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339805 491490314 /nfs/dbraw/zinc/49/03/14/491490314.db2.gz VYKHAWDRZRPJGL-FXAWDEMLSA-N 1 3 374.485 0.886 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000574339805 491490317 /nfs/dbraw/zinc/49/03/17/491490317.db2.gz VYKHAWDRZRPJGL-FXAWDEMLSA-N 1 3 374.485 0.886 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574398048 491493541 /nfs/dbraw/zinc/49/35/41/491493541.db2.gz ZJHXEBRFBQGVCR-HOTGVXAUSA-N 1 3 363.510 0.034 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000574446540 491497306 /nfs/dbraw/zinc/49/73/06/491497306.db2.gz FBODPZFYGQPGIM-HOTGVXAUSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000574446540 491497308 /nfs/dbraw/zinc/49/73/08/491497308.db2.gz FBODPZFYGQPGIM-HOTGVXAUSA-N 1 3 355.527 0.957 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000559763624 491497441 /nfs/dbraw/zinc/49/74/41/491497441.db2.gz QUOKPPUAGSKDIS-DLBZAZTESA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000559763624 491497442 /nfs/dbraw/zinc/49/74/42/491497442.db2.gz QUOKPPUAGSKDIS-DLBZAZTESA-N 1 3 352.523 0.929 20 0 FCADHO N[C@H]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466452 491499222 /nfs/dbraw/zinc/49/92/22/491499222.db2.gz GRUQHKHRPXWEDX-ROUUACIJSA-N 1 3 371.485 0.736 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000567368993 491502654 /nfs/dbraw/zinc/50/26/54/491502654.db2.gz NSUWCMXVHCPQQS-QKPAOTATSA-N 1 3 365.522 0.696 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000567368993 491502657 /nfs/dbraw/zinc/50/26/57/491502657.db2.gz NSUWCMXVHCPQQS-QKPAOTATSA-N 1 3 365.522 0.696 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000559863928 491505638 /nfs/dbraw/zinc/50/56/38/491505638.db2.gz WLFMYYZBNIMSQQ-QGZVFWFLSA-N 1 3 356.536 0.388 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560727504 491553846 /nfs/dbraw/zinc/55/38/46/491553846.db2.gz FLRAINRWVZLQTK-KRWDZBQOSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCC(C)CC1 ZINC000560763090 491555463 /nfs/dbraw/zinc/55/54/63/491555463.db2.gz LOESDANNJKWLQI-CVEARBPZSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CCC(C)CC1 ZINC000560763090 491555466 /nfs/dbraw/zinc/55/54/66/491555466.db2.gz LOESDANNJKWLQI-CVEARBPZSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000568288176 491566857 /nfs/dbraw/zinc/56/68/57/491566857.db2.gz WDONRKPTRPVHHZ-VDHUWJSZSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000568288176 491566859 /nfs/dbraw/zinc/56/68/59/491566859.db2.gz WDONRKPTRPVHHZ-VDHUWJSZSA-N 1 3 371.485 0.603 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000575876067 491567110 /nfs/dbraw/zinc/56/71/10/491567110.db2.gz DDTAABCZQAUXMN-UHFFFAOYSA-N 1 3 350.463 0.757 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000576003960 491575018 /nfs/dbraw/zinc/57/50/18/491575018.db2.gz JESYUGXZQQHIKT-LJQANCHMSA-N 1 3 372.513 0.878 20 0 FCADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000561148422 491578564 /nfs/dbraw/zinc/57/85/64/491578564.db2.gz YTJBQJJMAKPMPQ-RBUKOAKNSA-N 1 3 357.502 0.950 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)N(C)C1CC1 ZINC000561183672 491581052 /nfs/dbraw/zinc/58/10/52/491581052.db2.gz NQVASYDTWXUESR-HNNXBMFYSA-N 1 3 366.506 0.347 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000561226987 491585786 /nfs/dbraw/zinc/58/57/86/491585786.db2.gz PBVRVNGJDRCQCQ-ZWKOTPCHSA-N 1 3 358.486 0.788 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCc1ccnn1C ZINC000576176203 491589882 /nfs/dbraw/zinc/58/98/82/491589882.db2.gz CXHYESFOAQMDGK-MRXNPFEDSA-N 1 3 351.495 0.811 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCc1ccnn1C ZINC000576176203 491589884 /nfs/dbraw/zinc/58/98/84/491589884.db2.gz CXHYESFOAQMDGK-MRXNPFEDSA-N 1 3 351.495 0.811 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)C[C@H]21 ZINC000660470022 493353475 /nfs/dbraw/zinc/35/34/75/493353475.db2.gz JBLYEXIXCNRQBB-GBESFXJTSA-N 1 3 370.497 0.882 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)C[C@H]21 ZINC000660470022 493353479 /nfs/dbraw/zinc/35/34/79/493353479.db2.gz JBLYEXIXCNRQBB-GBESFXJTSA-N 1 3 370.497 0.882 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000561426764 491608066 /nfs/dbraw/zinc/60/80/66/491608066.db2.gz ZJTMKHRDBBMHPX-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC[C@H](C[NH3+])C2)cc1 ZINC000568985142 491624473 /nfs/dbraw/zinc/62/44/73/491624473.db2.gz AUBYZFADSAAIQM-OAHLLOKOSA-N 1 3 368.503 0.054 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000576566174 491625762 /nfs/dbraw/zinc/62/57/62/491625762.db2.gz IHOGUGSPSXQPJP-GOSISDBHSA-N 1 3 362.499 0.824 20 0 FCADHO NC(=O)c1ccc(NC(=O)CCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000576637640 491631689 /nfs/dbraw/zinc/63/16/89/491631689.db2.gz XBSKZLNOTLLTIB-HNNXBMFYSA-N 1 3 360.458 0.801 20 0 FCADHO NC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC12CCOCC2 ZINC000576637640 491631691 /nfs/dbraw/zinc/63/16/91/491631691.db2.gz XBSKZLNOTLLTIB-HNNXBMFYSA-N 1 3 360.458 0.801 20 0 FCADHO NC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC12CCOCC2 ZINC000576637640 491631692 /nfs/dbraw/zinc/63/16/92/491631692.db2.gz XBSKZLNOTLLTIB-HNNXBMFYSA-N 1 3 360.458 0.801 20 0 FCADHO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569146523 491638109 /nfs/dbraw/zinc/63/81/09/491638109.db2.gz ROLHKITZJHIRSP-HNNXBMFYSA-N 1 3 366.481 0.825 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000561897244 491638636 /nfs/dbraw/zinc/63/86/36/491638636.db2.gz TVUNDNGAXNPYRN-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000569409085 491660031 /nfs/dbraw/zinc/66/00/31/491660031.db2.gz MVOFAKBJDZVQQL-VNQPRFMTSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000569409085 491660033 /nfs/dbraw/zinc/66/00/33/491660033.db2.gz MVOFAKBJDZVQQL-VNQPRFMTSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000578251756 491673306 /nfs/dbraw/zinc/67/33/06/491673306.db2.gz ODUYYNJZTRMZRL-JKSUJKDBSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000578251756 491673307 /nfs/dbraw/zinc/67/33/07/491673307.db2.gz ODUYYNJZTRMZRL-JKSUJKDBSA-N 1 3 366.506 0.204 20 0 FCADHO CCN1CCN(CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000578326254 491674777 /nfs/dbraw/zinc/67/47/77/491674777.db2.gz MTNMCAHAHFTKHT-UHFFFAOYSA-N 1 3 362.522 0.496 20 0 FCADHO O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000578497239 491678376 /nfs/dbraw/zinc/67/83/76/491678376.db2.gz IQKSYFWIOKCUJE-QZTJIDSGSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000578908495 491686956 /nfs/dbraw/zinc/68/69/56/491686956.db2.gz FCOVHWOUZLHUKK-INIZCTEOSA-N 1 3 368.522 0.579 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(=O)NCCF)CC2)CC1 ZINC000579972012 491712001 /nfs/dbraw/zinc/71/20/01/491712001.db2.gz LDCPJJFXPVQIQF-CQSZACIVSA-N 1 3 356.486 0.773 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584836161 491716323 /nfs/dbraw/zinc/71/63/23/491716323.db2.gz BDDFCUIASCTCDB-MAUKXSAKSA-N 1 3 373.501 0.982 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](CN)C1 ZINC000580533514 491734947 /nfs/dbraw/zinc/73/49/47/491734947.db2.gz VDODROFUVLPJDN-IAGOWNOFSA-N 1 3 365.522 0.001 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](CN)C1 ZINC000580533514 491734948 /nfs/dbraw/zinc/73/49/48/491734948.db2.gz VDODROFUVLPJDN-IAGOWNOFSA-N 1 3 365.522 0.001 20 0 FCADHO C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1=CCN(C)CC1 ZINC000580631977 491739245 /nfs/dbraw/zinc/73/92/45/491739245.db2.gz HSGMDPBVZYBYFS-TZMCWYRMSA-N 1 3 363.428 0.772 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000581300437 491767781 /nfs/dbraw/zinc/76/77/81/491767781.db2.gz WDRRISOVQMQNAG-DLBZAZTESA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581737621 491785165 /nfs/dbraw/zinc/78/51/65/491785165.db2.gz MQLQAMHJOBRKMG-LUKYLMHMSA-N 1 3 350.507 0.727 20 0 FCADHO CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000590817431 491787499 /nfs/dbraw/zinc/78/74/99/491787499.db2.gz KOJOREQQQRAEOH-UHFFFAOYSA-N 1 3 370.519 0.550 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(C)C ZINC000581889443 491789056 /nfs/dbraw/zinc/78/90/56/491789056.db2.gz VZAWGHNBUJFRJF-UHFFFAOYSA-N 1 3 369.554 0.364 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668499217 493364693 /nfs/dbraw/zinc/36/46/93/493364693.db2.gz CJDWANCNRYWLSZ-NVXWUHKLSA-N 1 3 366.506 0.204 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000582312683 491807110 /nfs/dbraw/zinc/80/71/10/491807110.db2.gz GZLUQTTWXWBJNP-KRWDZBQOSA-N 1 3 358.486 0.759 20 0 FCADHO C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000583131958 491838746 /nfs/dbraw/zinc/83/87/46/491838746.db2.gz PMGMQGUZIHETMF-AWEZNQCLSA-N 1 3 358.442 0.412 20 0 FCADHO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000583131958 491838747 /nfs/dbraw/zinc/83/87/47/491838747.db2.gz PMGMQGUZIHETMF-AWEZNQCLSA-N 1 3 358.442 0.412 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000583257352 491841058 /nfs/dbraw/zinc/84/10/58/491841058.db2.gz BRAOBKQPNPGQGF-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000583452566 491845411 /nfs/dbraw/zinc/84/54/11/491845411.db2.gz PHRBPSKEBBNCJH-LUKYLMHMSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H](CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000584068486 491857997 /nfs/dbraw/zinc/85/79/97/491857997.db2.gz MSELISXCIKGOAD-ACLXAEORSA-N 1 3 362.518 0.916 20 0 FCADHO C[C@H](CN[C@@H]1CCC(=O)N[C@H]1C1CC1)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000584068486 491857998 /nfs/dbraw/zinc/85/79/98/491857998.db2.gz MSELISXCIKGOAD-ACLXAEORSA-N 1 3 362.518 0.916 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3C[NH2+]CCN3C)c2)CC1 ZINC000584220014 491860889 /nfs/dbraw/zinc/86/08/89/491860889.db2.gz DNLXIUJJIQOZCU-SFHVURJKSA-N 1 3 360.506 0.854 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@@H]1[NH3+] ZINC000584226606 491861039 /nfs/dbraw/zinc/86/10/39/491861039.db2.gz CHUWXHHXDCDIIL-LAVFITLUSA-N 1 3 356.470 0.525 20 0 FCADHO COC(=O)CCN1CC[C@@H](N(C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391368 491927586 /nfs/dbraw/zinc/92/75/86/491927586.db2.gz IWXHIHCRAZZZBH-MRXNPFEDSA-N 1 3 354.495 0.108 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612595708 491936701 /nfs/dbraw/zinc/93/67/01/491936701.db2.gz KCWGLLMPZMMOBM-SJORKVTESA-N 1 3 366.506 0.299 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612595705 491936852 /nfs/dbraw/zinc/93/68/52/491936852.db2.gz KCWGLLMPZMMOBM-DLBZAZTESA-N 1 3 366.506 0.299 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612772816 491949864 /nfs/dbraw/zinc/94/98/64/491949864.db2.gz JSOHFRXAPUKZIJ-KRWDZBQOSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612916538 491958379 /nfs/dbraw/zinc/95/83/79/491958379.db2.gz AXSDZBHDACJDOJ-GJZGRUSLSA-N 1 3 363.510 0.692 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506295 491990348 /nfs/dbraw/zinc/99/03/48/491990348.db2.gz NDSSUZXSMODVMA-PMACEKPBSA-N 1 3 373.545 0.684 20 0 FCADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506295 491990350 /nfs/dbraw/zinc/99/03/50/491990350.db2.gz NDSSUZXSMODVMA-PMACEKPBSA-N 1 3 373.545 0.684 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H](N)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506298 491990406 /nfs/dbraw/zinc/99/04/06/491990406.db2.gz NDSSUZXSMODVMA-WOJBJXKFSA-N 1 3 373.545 0.684 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H](N)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000602506298 491990408 /nfs/dbraw/zinc/99/04/08/491990408.db2.gz NDSSUZXSMODVMA-WOJBJXKFSA-N 1 3 373.545 0.684 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000597216212 492022743 /nfs/dbraw/zinc/02/27/43/492022743.db2.gz YCKWBKYTNGSWCA-IAGOWNOFSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000597216212 492022744 /nfs/dbraw/zinc/02/27/44/492022744.db2.gz YCKWBKYTNGSWCA-IAGOWNOFSA-N 1 3 365.522 0.855 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000597409258 492036614 /nfs/dbraw/zinc/03/66/14/492036614.db2.gz QMZGUDJBILCEBN-OAHLLOKOSA-N 1 3 355.527 0.959 20 0 FCADHO CN1CCN(CCCCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000605846120 492104345 /nfs/dbraw/zinc/10/43/45/492104345.db2.gz JLUCHBYLWSWUKH-UHFFFAOYSA-N 1 3 355.527 0.424 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N(C)C ZINC000606018990 492111525 /nfs/dbraw/zinc/11/15/25/492111525.db2.gz HUEXJWCIPDSWET-ZDUSSCGKSA-N 1 3 363.462 0.582 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000606539319 492124498 /nfs/dbraw/zinc/12/44/98/492124498.db2.gz DUWDWNNJJRXEMS-UHFFFAOYSA-N 1 3 367.494 0.098 20 0 FCADHO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633825 492125319 /nfs/dbraw/zinc/12/53/19/492125319.db2.gz WMWLPQNTXPGUQO-DLBZAZTESA-N 1 3 355.527 0.278 20 0 FCADHO COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000606633825 492125320 /nfs/dbraw/zinc/12/53/20/492125320.db2.gz WMWLPQNTXPGUQO-DLBZAZTESA-N 1 3 355.527 0.278 20 0 FCADHO C[C@H](NC(=O)NC1CCN(CCC(=O)N(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606685060 492126324 /nfs/dbraw/zinc/12/63/24/492126324.db2.gz XJBQYDVEGCKDME-HNNXBMFYSA-N 1 3 367.538 0.959 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618308245 492221963 /nfs/dbraw/zinc/22/19/63/492221963.db2.gz CLOUPBFLXPAGEA-GOSISDBHSA-N 1 3 360.502 0.987 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618308245 492221964 /nfs/dbraw/zinc/22/19/64/492221964.db2.gz CLOUPBFLXPAGEA-GOSISDBHSA-N 1 3 360.502 0.987 20 0 FCADHO CN(C)CCNC(=O)c1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000654487411 492311130 /nfs/dbraw/zinc/31/11/30/492311130.db2.gz IAEURCIJFITVGI-UHFFFAOYSA-N 1 3 372.473 0.988 20 0 FCADHO O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485716 492313533 /nfs/dbraw/zinc/31/35/33/492313533.db2.gz WSKHXFMSLKWQME-CTNGQTDRSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000620485716 492313538 /nfs/dbraw/zinc/31/35/38/492313538.db2.gz WSKHXFMSLKWQME-CTNGQTDRSA-N 1 3 373.497 0.681 20 0 FCADHO CN1CCN(c2ccnc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)c2)CC1 ZINC000634196417 492326683 /nfs/dbraw/zinc/32/66/83/492326683.db2.gz VTXXCMKKMZYPRX-HNNXBMFYSA-N 1 3 374.489 0.182 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCc2ccccc2[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000647594852 492331338 /nfs/dbraw/zinc/33/13/38/492331338.db2.gz SIRXSEBHMHCGBF-KDOFPFPSSA-N 1 3 358.486 0.918 20 0 FCADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000647597331 492332301 /nfs/dbraw/zinc/33/23/01/492332301.db2.gz DPNPAANIDGELII-HZPDHXFCSA-N 1 3 367.538 0.245 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642330428 492351671 /nfs/dbraw/zinc/35/16/71/492351671.db2.gz HVRWYVPNQBLDIO-KXBFYZLASA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642330578 492352324 /nfs/dbraw/zinc/35/23/24/492352324.db2.gz XMEWSCHSTRGIKX-DMRKSPOLSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642330577 492352363 /nfs/dbraw/zinc/35/23/63/492352363.db2.gz XMEWSCHSTRGIKX-BQJWPVKWSA-N 1 3 350.507 0.679 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)C(=O)NC3C[NH2+]C3)CC2)cc1 ZINC000642541076 492363693 /nfs/dbraw/zinc/36/36/93/492363693.db2.gz YBQNAAJXJKMPMN-UHFFFAOYSA-N 1 3 360.458 0.111 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640945 492369110 /nfs/dbraw/zinc/36/91/10/492369110.db2.gz PTJDFMFARRXVRT-BPQIPLTHSA-N 1 3 356.470 0.491 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640945 492369113 /nfs/dbraw/zinc/36/91/13/492369113.db2.gz PTJDFMFARRXVRT-BPQIPLTHSA-N 1 3 356.470 0.491 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)Cc2ccccc2C1 ZINC000642725933 492380845 /nfs/dbraw/zinc/38/08/45/492380845.db2.gz AEMVZPBXOWXGKT-UHFFFAOYSA-N 1 3 358.486 0.542 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C(=O)NC)C3)CC2)CC1 ZINC000654991705 492388823 /nfs/dbraw/zinc/38/88/23/492388823.db2.gz BBWUQDZVPWRFJA-QGZVFWFLSA-N 1 3 366.506 0.156 20 0 FCADHO Cn1cc(S(=O)(=O)NCCN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647977329 492390084 /nfs/dbraw/zinc/39/00/84/492390084.db2.gz AAABHPVMUQXVSN-HUUCEWRRSA-N 1 3 355.508 0.410 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000647978423 492390531 /nfs/dbraw/zinc/39/05/31/492390531.db2.gz ROOOSUHJWLVWQC-RCCFBDPRSA-N 1 3 350.507 0.825 20 0 FCADHO O=S(=O)([C@H]1CCCN(CCCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000647988751 492391607 /nfs/dbraw/zinc/39/16/07/492391607.db2.gz HLJYPWUTSYLKJF-KRWDZBQOSA-N 1 3 359.536 0.893 20 0 FCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)C1 ZINC000642921475 492404604 /nfs/dbraw/zinc/40/46/04/492404604.db2.gz VMETVEWVCFQXRU-QZTJIDSGSA-N 1 3 373.501 0.041 20 0 FCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)C1 ZINC000642921475 492404608 /nfs/dbraw/zinc/40/46/08/492404608.db2.gz VMETVEWVCFQXRU-QZTJIDSGSA-N 1 3 373.501 0.041 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000642958549 492406527 /nfs/dbraw/zinc/40/65/27/492406527.db2.gz NTZSJXBDDQVLSI-ARFHVFGLSA-N 1 3 366.506 0.693 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCc3ccccc3[C@H]2CN)nn1 ZINC000648199275 492414420 /nfs/dbraw/zinc/41/44/20/492414420.db2.gz SFNWDEMMLDRRKB-CGTJXYLNSA-N 1 3 370.457 0.065 20 0 FCADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC1CCN(c3ccncc3)CC1)C2 ZINC000621845393 492425181 /nfs/dbraw/zinc/42/51/81/492425181.db2.gz IRHFUIDQHKSJIY-OXJNMPFZSA-N 1 3 371.485 0.754 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030448 492444995 /nfs/dbraw/zinc/44/49/95/492444995.db2.gz WLSOUNYUPQHWIY-MAUKXSAKSA-N 1 3 364.515 0.978 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1cccnc1 ZINC000643426236 492456541 /nfs/dbraw/zinc/45/65/41/492456541.db2.gz BIHPMEZUFPFJBX-UHFFFAOYSA-N 1 3 363.506 0.427 20 0 FCADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643453489 492466354 /nfs/dbraw/zinc/46/63/54/492466354.db2.gz HCQVIMGKBOTXMA-YESZJQIVSA-N 1 3 358.552 0.464 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000643478951 492475428 /nfs/dbraw/zinc/47/54/28/492475428.db2.gz VCCAADVUOPORQS-UHFFFAOYSA-N 1 3 359.474 0.578 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502451 492483409 /nfs/dbraw/zinc/48/34/09/492483409.db2.gz GXCOAETUBQHTKE-DLBZAZTESA-N 1 3 350.507 0.779 20 0 FCADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC[C@@H]1[NH3+] ZINC000643524377 492490080 /nfs/dbraw/zinc/49/00/80/492490080.db2.gz NUJNSKPPKYSXJC-HOCLYGCPSA-N 1 3 350.463 0.756 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531825 492491096 /nfs/dbraw/zinc/49/10/96/492491096.db2.gz OQYXWPCJNYVKRG-ROUUACIJSA-N 1 3 358.486 0.930 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000643531752 492491333 /nfs/dbraw/zinc/49/13/33/492491333.db2.gz FSFIBHXYSZALNS-ZWKOTPCHSA-N 1 3 374.485 0.296 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643531852 492492410 /nfs/dbraw/zinc/49/24/10/492492410.db2.gz PRYRZVSUDGSPAK-WIYYLYMNSA-N 1 3 370.497 0.931 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643558636 492498462 /nfs/dbraw/zinc/49/84/62/492498462.db2.gz PAJSCFWGFDIPGB-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000649352130 492545802 /nfs/dbraw/zinc/54/58/02/492545802.db2.gz UIWNFYFAGYHXLP-PNYFIKQUSA-N 1 3 369.513 0.908 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000643782059 492556366 /nfs/dbraw/zinc/55/63/66/492556366.db2.gz XVSKABUJRLULSK-MRXNPFEDSA-N 1 3 355.446 0.854 20 0 FCADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000636155869 492557250 /nfs/dbraw/zinc/55/72/50/492557250.db2.gz CWVRIKNRSFCIFU-QZTJIDSGSA-N 1 3 351.491 0.857 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656150501 492557886 /nfs/dbraw/zinc/55/78/86/492557886.db2.gz VYATUOBEXIBVCH-OAGGEKHMSA-N 1 3 351.495 0.765 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656150501 492557888 /nfs/dbraw/zinc/55/78/88/492557888.db2.gz VYATUOBEXIBVCH-OAGGEKHMSA-N 1 3 351.495 0.765 20 0 FCADHO COc1cccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)N(C)C)c1 ZINC000636473405 492595067 /nfs/dbraw/zinc/59/50/67/492595067.db2.gz ZOSBGQBVUWYXFZ-WBVHZDCISA-N 1 3 350.463 0.664 20 0 FCADHO COc1cccc([C@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)N(C)C)c1 ZINC000636473405 492595070 /nfs/dbraw/zinc/59/50/70/492595070.db2.gz ZOSBGQBVUWYXFZ-WBVHZDCISA-N 1 3 350.463 0.664 20 0 FCADHO C[C@H]1C[N@H+](CCOc2ccc(CCNc3nc(N)nc(N)n3)cc2)C[C@H]1C ZINC000624085386 492618903 /nfs/dbraw/zinc/61/89/03/492618903.db2.gz QXYFCSSZFRYBBB-OKILXGFUSA-N 1 3 371.489 0.740 20 0 FCADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNc3nc(N)nc(N)n3)cc2)C[C@H]1C ZINC000624085386 492618906 /nfs/dbraw/zinc/61/89/06/492618906.db2.gz QXYFCSSZFRYBBB-OKILXGFUSA-N 1 3 371.489 0.740 20 0 FCADHO C[C@@H]1C[NH+](CCOc2ccc(CCNc3nc(N)nc(N)n3)cc2)C[C@H]1C ZINC000624085387 492618927 /nfs/dbraw/zinc/61/89/27/492618927.db2.gz QXYFCSSZFRYBBB-ZIAGYGMSSA-N 1 3 371.489 0.740 20 0 FCADHO CCN1C[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000650798427 492668987 /nfs/dbraw/zinc/66/89/87/492668987.db2.gz YDDAGYSFESCFDT-OAHLLOKOSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629809278 492683126 /nfs/dbraw/zinc/68/31/26/492683126.db2.gz PBQAURXEOAWDKP-FRRDWIJNSA-N 1 3 364.412 0.525 20 0 FCADHO Cc1cc(NC(=O)CC[NH2+]CCCN2CCN(c3ccncc3)CC2)no1 ZINC000644533814 492782774 /nfs/dbraw/zinc/78/27/74/492782774.db2.gz HMYQKYKBFFGWLO-UHFFFAOYSA-N 1 3 372.473 1.509 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610946 492791271 /nfs/dbraw/zinc/79/12/71/492791271.db2.gz AEFGFURJCAYXJY-SOLBZPMBSA-N 1 3 366.506 0.582 20 0 FCADHO O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000657874135 492807609 /nfs/dbraw/zinc/80/76/09/492807609.db2.gz OTDVCIUSTFTLRS-GOSISDBHSA-N 1 3 371.485 0.817 20 0 FCADHO CN1CCN(Cc2ccc(CNS(=O)(=O)CCC[NH+](C)C)cc2)CC1 ZINC000631752711 492847456 /nfs/dbraw/zinc/84/74/56/492847456.db2.gz SMZJFVMAFSVRLP-UHFFFAOYSA-N 1 3 368.547 0.805 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645136017 492872191 /nfs/dbraw/zinc/87/21/91/492872191.db2.gz KJSHCWFLZPMKHG-KZNAEPCWSA-N 1 3 358.486 0.663 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652312888 492908940 /nfs/dbraw/zinc/90/89/40/492908940.db2.gz DOMDWYVPYJKVRY-UHFFFAOYSA-N 1 3 353.511 0.572 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315736 492909893 /nfs/dbraw/zinc/90/98/93/492909893.db2.gz CDYGDQLSHFPEEJ-INIZCTEOSA-N 1 3 351.495 0.324 20 0 FCADHO O=C(CNC(=O)NCCC1CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000652321582 492910543 /nfs/dbraw/zinc/91/05/43/492910543.db2.gz IQFOAMWVLZDHNA-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652347675 492913201 /nfs/dbraw/zinc/91/32/01/492913201.db2.gz JHGMVRDZTNKOSJ-DZJNRPSUSA-N 1 3 366.506 0.284 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000652440188 492932903 /nfs/dbraw/zinc/93/29/03/492932903.db2.gz AXJZZTRLYNOIFB-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000658535216 492934644 /nfs/dbraw/zinc/93/46/44/492934644.db2.gz GLDWSCVWWKJNOC-KRWDZBQOSA-N 1 3 352.523 0.977 20 0 FCADHO C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000632160821 492940738 /nfs/dbraw/zinc/94/07/38/492940738.db2.gz LEQLKBPHDPKQGX-MSOLQXFVSA-N 1 3 372.579 0.760 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638481732 492954486 /nfs/dbraw/zinc/95/44/86/492954486.db2.gz NEIATALEPPBQGW-KRWDZBQOSA-N 1 3 354.539 0.754 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000652644619 492977427 /nfs/dbraw/zinc/97/74/27/492977427.db2.gz DJOOJULLXLFJFD-HNNXBMFYSA-N 1 3 359.474 0.780 20 0 FCADHO CO[C@@H]1CCN([C@@H]2CCC[C@@H]2NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C1 ZINC000638808819 492980169 /nfs/dbraw/zinc/98/01/69/492980169.db2.gz OJTICCMYBVNTKM-XUWVNRHRSA-N 1 3 362.478 0.493 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652678175 492986347 /nfs/dbraw/zinc/98/63/47/492986347.db2.gz WFOGRGPAQOWAPO-IXDOHACOSA-N 1 3 368.522 0.579 20 0 FCADHO O=C(Nc1cc(N2CCNCC2)ccn1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638985499 492990712 /nfs/dbraw/zinc/99/07/12/492990712.db2.gz INUKHGDMEHXOMU-INIZCTEOSA-N 1 3 355.446 0.865 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1(C)C ZINC000646002956 492998835 /nfs/dbraw/zinc/99/88/35/492998835.db2.gz LIIJMLYXPICOHG-FCEWJHQRSA-N 1 3 352.523 0.757 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1(C)C ZINC000646002956 492998836 /nfs/dbraw/zinc/99/88/36/492998836.db2.gz LIIJMLYXPICOHG-FCEWJHQRSA-N 1 3 352.523 0.757 20 0 FCADHO CC(C)(O)C[NH+]1CCC(NCC(=O)NCCN2CCCCCC2)CC1 ZINC000639205936 493002119 /nfs/dbraw/zinc/00/21/19/493002119.db2.gz MIPKHSOSDKLETB-UHFFFAOYSA-N 1 3 354.539 0.804 20 0 FCADHO O=C(C[C@H]1CNCCO1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000646069014 493009933 /nfs/dbraw/zinc/00/99/33/493009933.db2.gz IKRUAIFIMAJRHE-KRWDZBQOSA-N 1 3 366.506 0.206 20 0 FCADHO CN(C)CCn1ccc(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000639722588 493037883 /nfs/dbraw/zinc/03/78/83/493037883.db2.gz HSQFPKKFRNHFHI-UHFFFAOYSA-N 1 3 360.466 1.552 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000626923646 493063672 /nfs/dbraw/zinc/06/36/72/493063672.db2.gz YDXVSCZDFIULAD-SJLPKXTDSA-N 1 3 369.473 0.886 20 0 FCADHO CN(CCOCC[NH3+])C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000626969955 493072303 /nfs/dbraw/zinc/07/23/03/493072303.db2.gz CGSZMUZYFPBFBW-UHFFFAOYSA-N 1 3 364.490 0.760 20 0 FCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000633041275 493108365 /nfs/dbraw/zinc/10/83/65/493108365.db2.gz VGUYIMPYXWGETB-NWDGAFQWSA-N 1 3 352.410 0.653 20 0 FCADHO C[C@@H]1CN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCN(C2CCC2)C1 ZINC000627233325 493113850 /nfs/dbraw/zinc/11/38/50/493113850.db2.gz DVBIJUBAHKRXNT-YOEHRIQHSA-N 1 3 361.494 0.828 20 0 FCADHO NC[C@@H]1c2ccccc2CCN1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627234655 493114443 /nfs/dbraw/zinc/11/44/43/493114443.db2.gz KCXPUCRKZCNETN-DOTOQJQBSA-N 1 3 355.446 0.580 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633079751 493117875 /nfs/dbraw/zinc/11/78/75/493117875.db2.gz YQZHPKMPLWGJPD-IYBDPMFKSA-N 1 3 362.449 0.679 20 0 FCADHO N[C@H](CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000647091846 493162101 /nfs/dbraw/zinc/16/21/01/493162101.db2.gz QQNSUKSMLCEBGU-FGTMMUONSA-N 1 3 371.485 0.823 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091851 493162267 /nfs/dbraw/zinc/16/22/67/493162267.db2.gz QUKDIIDFQWCOBO-GVDBMIGSSA-N 1 3 363.506 0.608 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627365082 493180423 /nfs/dbraw/zinc/18/04/23/493180423.db2.gz FFQWCWVMALPWID-YPMHNXCESA-N 1 3 364.412 0.573 20 0 FCADHO CCCN1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538762 493208484 /nfs/dbraw/zinc/20/84/84/493208484.db2.gz LYRZYPVIQWJVQQ-OLZOCXBDSA-N 1 3 351.417 0.606 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659548963 493211523 /nfs/dbraw/zinc/21/15/23/493211523.db2.gz JPUHURGGTWNFJT-MSOLQXFVSA-N 1 3 362.474 0.431 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000659589681 493217863 /nfs/dbraw/zinc/21/78/63/493217863.db2.gz WZCHYZIUCIPIIS-HUUCEWRRSA-N 1 3 374.420 0.725 20 0 FCADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000659616519 493220809 /nfs/dbraw/zinc/22/08/09/493220809.db2.gz LPSSJVMEOHLVCP-NNVNDSJASA-N 1 3 358.486 0.921 20 0 FCADHO CCCN1CC[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000659611981 493220933 /nfs/dbraw/zinc/22/09/33/493220933.db2.gz UVMIHAGXESCJQO-ULQDDVLXSA-N 1 3 365.522 0.761 20 0 FCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630948 493224120 /nfs/dbraw/zinc/22/41/20/493224120.db2.gz XIJAICLKNRELRX-KBPBESRZSA-N 1 3 364.450 0.036 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000672695133 493234771 /nfs/dbraw/zinc/23/47/71/493234771.db2.gz JKYVLQUKEFIAOL-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000672695133 493234774 /nfs/dbraw/zinc/23/47/74/493234774.db2.gz JKYVLQUKEFIAOL-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000672696284 493234942 /nfs/dbraw/zinc/23/49/42/493234942.db2.gz BKPQZMBEFOIJMT-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000672697706 493235603 /nfs/dbraw/zinc/23/56/03/493235603.db2.gz WVOQZXNGEYNCHQ-INIZCTEOSA-N 1 3 368.522 0.546 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659673381 493244021 /nfs/dbraw/zinc/24/40/21/493244021.db2.gz CGZSDPMSCMGWRB-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000659681829 493248767 /nfs/dbraw/zinc/24/87/67/493248767.db2.gz BLEPSBGMEZDBFN-AWEZNQCLSA-N 1 3 356.536 0.578 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718565 493270104 /nfs/dbraw/zinc/27/01/04/493270104.db2.gz RGGHYFIEBBDOAV-CZUORRHYSA-N 1 3 366.506 0.454 20 0 FCADHO NC[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000659721231 493271791 /nfs/dbraw/zinc/27/17/91/493271791.db2.gz YRDWALCJYJHCEP-KRWDZBQOSA-N 1 3 350.507 0.858 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659727918 493275232 /nfs/dbraw/zinc/27/52/32/493275232.db2.gz GZLRIPJLFRSENH-KRWDZBQOSA-N 1 3 359.474 0.230 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000659729531 493276336 /nfs/dbraw/zinc/27/63/36/493276336.db2.gz OSVCGGOMFWFTDP-UHFFFAOYSA-N 1 3 373.501 0.798 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659730938 493277645 /nfs/dbraw/zinc/27/76/45/493277645.db2.gz VUAKZNAWWQEWOV-HDICACEKSA-N 1 3 371.485 0.088 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000659739082 493280405 /nfs/dbraw/zinc/28/04/05/493280405.db2.gz MXFKCRWVUGNEKR-UKPHBRMFSA-N 1 3 362.449 0.679 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CCO1 ZINC000667403048 493282904 /nfs/dbraw/zinc/28/29/04/493282904.db2.gz RRLLBAOMQQQQNB-CJNGLKHVSA-N 1 3 364.446 0.140 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CCO1 ZINC000667403046 493282993 /nfs/dbraw/zinc/28/29/93/493282993.db2.gz RRLLBAOMQQQQNB-BBRMVZONSA-N 1 3 364.446 0.140 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000667402872 493283089 /nfs/dbraw/zinc/28/30/89/493283089.db2.gz OJBXONHUPBRNHV-BBRMVZONSA-N 1 3 364.446 0.140 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000659751329 493286111 /nfs/dbraw/zinc/28/61/11/493286111.db2.gz GNXNGMHFCQSENS-CQSZACIVSA-N 1 3 350.463 0.310 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667799454 493302748 /nfs/dbraw/zinc/30/27/48/493302748.db2.gz WBBQNNFJGHDYNV-QGZVFWFLSA-N 1 3 372.473 0.498 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351072 493320501 /nfs/dbraw/zinc/32/05/01/493320501.db2.gz JGODILIHVIPVHE-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000673351072 493320502 /nfs/dbraw/zinc/32/05/02/493320502.db2.gz JGODILIHVIPVHE-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000673465160 493331308 /nfs/dbraw/zinc/33/13/08/493331308.db2.gz PNIWEDFPEKMMIQ-HOTGVXAUSA-N 1 3 370.538 0.648 20 0 FCADHO CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000673470510 493332021 /nfs/dbraw/zinc/33/20/21/493332021.db2.gz OSZWOOFFTBREIC-CVEARBPZSA-N 1 3 356.511 0.258 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668548020 493374241 /nfs/dbraw/zinc/37/42/41/493374241.db2.gz DFWIQYPRCJBVSH-JKSUJKDBSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000668548020 493374244 /nfs/dbraw/zinc/37/42/44/493374244.db2.gz DFWIQYPRCJBVSH-JKSUJKDBSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000661314080 493426420 /nfs/dbraw/zinc/42/64/20/493426420.db2.gz ZVAKDPGTVQTIJZ-QGZVFWFLSA-N 1 3 367.538 0.567 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000661314080 493426422 /nfs/dbraw/zinc/42/64/22/493426422.db2.gz ZVAKDPGTVQTIJZ-QGZVFWFLSA-N 1 3 367.538 0.567 20 0 FCADHO CC(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596721 493450056 /nfs/dbraw/zinc/45/00/56/493450056.db2.gz FELFEOUZDADFAT-BDXSIMOUSA-N 1 3 362.518 0.824 20 0 FCADHO CC(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596721 493450058 /nfs/dbraw/zinc/45/00/58/493450058.db2.gz FELFEOUZDADFAT-BDXSIMOUSA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685306597 493473909 /nfs/dbraw/zinc/47/39/09/493473909.db2.gz GXJSTRIOCWUWLQ-WMLDXEAASA-N 1 3 357.458 0.329 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661951290 493477947 /nfs/dbraw/zinc/47/79/47/493477947.db2.gz KXMASLIQOWNFEU-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000661951290 493477949 /nfs/dbraw/zinc/47/79/49/493477949.db2.gz KXMASLIQOWNFEU-MRXNPFEDSA-N 1 3 351.495 0.420 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669430848 493503785 /nfs/dbraw/zinc/50/37/85/493503785.db2.gz HGEKROBFROSYSQ-HKUYNNGSSA-N 1 3 372.517 0.987 20 0 FCADHO Cn1c2ncn(CCN3CCC([C@@H]4CCC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000662291372 493504065 /nfs/dbraw/zinc/50/40/65/493504065.db2.gz FYMULHHFZQHHRU-OAHLLOKOSA-N 1 3 374.489 0.145 20 0 FCADHO CC[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000669444056 493504343 /nfs/dbraw/zinc/50/43/43/493504343.db2.gz QBRYVTCKEFHOHG-OWCLPIDISA-N 1 3 353.511 0.698 20 0 FCADHO CC[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000669444057 493504449 /nfs/dbraw/zinc/50/44/49/493504449.db2.gz QBRYVTCKEFHOHG-PMPSAXMXSA-N 1 3 353.511 0.698 20 0 FCADHO O=C1CNC(=O)N1CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327007 493506866 /nfs/dbraw/zinc/50/68/66/493506866.db2.gz DDXMLRWDXDWPPT-UHFFFAOYSA-N 1 3 360.462 0.608 20 0 FCADHO O=C1CNC(=O)N1CCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327007 493506870 /nfs/dbraw/zinc/50/68/70/493506870.db2.gz DDXMLRWDXDWPPT-UHFFFAOYSA-N 1 3 360.462 0.608 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662446234 493515736 /nfs/dbraw/zinc/51/57/36/493515736.db2.gz ZHTCGADSLLYIQY-AWEZNQCLSA-N 1 3 362.478 0.113 20 0 FCADHO COc1cc(CNC(=O)c2cn(CC[NH3+])nn2)ccc1OCCN(C)C ZINC000662691691 493532131 /nfs/dbraw/zinc/53/21/31/493532131.db2.gz LMDZDHCEQAIORI-UHFFFAOYSA-N 1 3 362.434 0.116 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758771 493540163 /nfs/dbraw/zinc/54/01/63/493540163.db2.gz STNOOUOERUUURG-HIFRSBDPSA-N 1 3 350.429 0.918 20 0 FCADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662804529 493543520 /nfs/dbraw/zinc/54/35/20/493543520.db2.gz ANWFIZORKZTKFE-INIZCTEOSA-N 1 3 358.446 0.812 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCNCC1 ZINC000662844584 493546283 /nfs/dbraw/zinc/54/62/83/493546283.db2.gz YWODARDHZRSHBU-OAHLLOKOSA-N 1 3 357.520 0.391 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662860120 493547443 /nfs/dbraw/zinc/54/74/43/493547443.db2.gz QMAPISHQDOXPHC-IRXDYDNUSA-N 1 3 370.457 0.309 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662929289 493555157 /nfs/dbraw/zinc/55/51/57/493555157.db2.gz CNLCZRPUDWIXNG-UHFFFAOYSA-N 1 3 356.417 0.662 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662931063 493555903 /nfs/dbraw/zinc/55/59/03/493555903.db2.gz ZVALOZIEFMHPOR-QGZVFWFLSA-N 1 3 350.507 0.779 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662950029 493559494 /nfs/dbraw/zinc/55/94/94/493559494.db2.gz FMQPKBJSSSYQCG-ROUUACIJSA-N 1 3 358.486 0.582 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000662947997 493559572 /nfs/dbraw/zinc/55/95/72/493559572.db2.gz DVPZSCFAKXZUNA-ZWKOTPCHSA-N 1 3 358.486 0.712 20 0 FCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000662951080 493559942 /nfs/dbraw/zinc/55/99/42/493559942.db2.gz HYERNXVLSGPFEV-OALUTQOASA-N 1 3 372.513 0.830 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662957915 493561097 /nfs/dbraw/zinc/56/10/97/493561097.db2.gz OYLXCGRIPDLWIF-BHIYHBOVSA-N 1 3 372.513 0.958 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662962515 493561311 /nfs/dbraw/zinc/56/13/11/493561311.db2.gz KAWKJANPNKNGBI-GOSISDBHSA-N 1 3 360.502 0.830 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000670432821 493566481 /nfs/dbraw/zinc/56/64/81/493566481.db2.gz JBSNKWCPVDCXER-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000670432821 493566484 /nfs/dbraw/zinc/56/64/84/493566484.db2.gz JBSNKWCPVDCXER-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019790 493567137 /nfs/dbraw/zinc/56/71/37/493567137.db2.gz VCXWQTHIGSMWPP-ARFHVFGLSA-N 1 3 360.506 0.900 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000670984990 493620365 /nfs/dbraw/zinc/62/03/65/493620365.db2.gz KPUBEXGMXPDMAT-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000671071572 493629400 /nfs/dbraw/zinc/62/94/00/493629400.db2.gz PRYLZPYSBGAQKK-YOEHRIQHSA-N 1 3 356.536 0.529 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000671091186 493631507 /nfs/dbraw/zinc/63/15/07/493631507.db2.gz VHOXTNQPGSRLRY-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108113 493636684 /nfs/dbraw/zinc/63/66/84/493636684.db2.gz VSXVZDZTMCJDFE-HOTGVXAUSA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108113 493636685 /nfs/dbraw/zinc/63/66/85/493636685.db2.gz VSXVZDZTMCJDFE-HOTGVXAUSA-N 1 3 362.474 0.913 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC(C)CC1 ZINC000671872966 493709955 /nfs/dbraw/zinc/70/99/55/493709955.db2.gz NCBBEASTIKUHKG-QGZVFWFLSA-N 1 3 373.501 0.967 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672007671 493723646 /nfs/dbraw/zinc/72/36/46/493723646.db2.gz LAONWRUIWMCPPV-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672014050 493724775 /nfs/dbraw/zinc/72/47/75/493724775.db2.gz POQDHXKLAABIQG-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CC[NH+](C)CC1 ZINC000672014993 493725172 /nfs/dbraw/zinc/72/51/72/493725172.db2.gz PZLDGTFAAAVDEX-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO CN(C(=O)NCCN1CCSCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681218269 493752149 /nfs/dbraw/zinc/75/21/49/493752149.db2.gz JMHSPKFTPCPZBP-KRWDZBQOSA-N 1 3 369.579 0.845 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672306653 493753023 /nfs/dbraw/zinc/75/30/23/493753023.db2.gz RQGCEKNUKYQZAJ-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672308854 493753646 /nfs/dbraw/zinc/75/36/46/493753646.db2.gz AETHCCSBJNJCOA-MRXNPFEDSA-N 1 3 366.506 0.156 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H]1C ZINC000672311502 493754668 /nfs/dbraw/zinc/75/46/68/493754668.db2.gz FFSRBFHZZIQAGE-XIRDDKMYSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H]1C ZINC000672311502 493754671 /nfs/dbraw/zinc/75/46/71/493754671.db2.gz FFSRBFHZZIQAGE-XIRDDKMYSA-N 1 3 350.507 0.918 20 0 FCADHO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000666152414 493760413 /nfs/dbraw/zinc/76/04/13/493760413.db2.gz XCMFJPPUULPQFJ-IBGZPJMESA-N 1 3 361.490 0.659 20 0 FCADHO C[N@H+]1CC[C@](O)(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000666152414 493760414 /nfs/dbraw/zinc/76/04/14/493760414.db2.gz XCMFJPPUULPQFJ-IBGZPJMESA-N 1 3 361.490 0.659 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cn1 ZINC000666239301 493763736 /nfs/dbraw/zinc/76/37/36/493763736.db2.gz WQCJFUOOZFPIFM-INIZCTEOSA-N 1 3 350.467 0.820 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000947964621 674369298 /nfs/dbraw/zinc/36/92/98/674369298.db2.gz HCWIDHQWLSJNJN-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419759429 535462645 /nfs/dbraw/zinc/46/26/45/535462645.db2.gz XNVUHXRFNUHXKI-UHFFFAOYSA-N 1 3 354.495 0.252 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132432 535463023 /nfs/dbraw/zinc/46/30/23/535463023.db2.gz BKXXZGHYKLSRGO-QGZVFWFLSA-N 1 3 362.474 0.119 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419901583 535597139 /nfs/dbraw/zinc/59/71/39/535597139.db2.gz UICYYQUCFPQCCY-MSOLQXFVSA-N 1 3 373.501 0.763 20 0 FCADHO CCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCC[NH2+]CC1 ZINC000435630808 535727966 /nfs/dbraw/zinc/72/79/66/535727966.db2.gz YQHJPNGYTCISGK-AWEZNQCLSA-N 1 3 362.478 0.288 20 0 FCADHO CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCCNCC1 ZINC000435630808 535727971 /nfs/dbraw/zinc/72/79/71/535727971.db2.gz YQHJPNGYTCISGK-AWEZNQCLSA-N 1 3 362.478 0.288 20 0 FCADHO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCCNCC1 ZINC000435630808 535727976 /nfs/dbraw/zinc/72/79/76/535727976.db2.gz YQHJPNGYTCISGK-AWEZNQCLSA-N 1 3 362.478 0.288 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423366896 535867641 /nfs/dbraw/zinc/86/76/41/535867641.db2.gz LRHVCQSOAMCMJC-CQSZACIVSA-N 1 3 368.503 0.215 20 0 FCADHO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1F ZINC000415331116 535905050 /nfs/dbraw/zinc/90/50/50/535905050.db2.gz ZXSJUFLJOSIHMV-UHFFFAOYSA-N 1 3 352.410 0.527 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000419657273 536369093 /nfs/dbraw/zinc/36/90/93/536369093.db2.gz JMZOQMXBPATUMD-CGTJXYLNSA-N 1 3 358.486 0.976 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424539434 536450029 /nfs/dbraw/zinc/45/00/29/536450029.db2.gz FEISCRYXTGEMJZ-BPQIPLTHSA-N 1 3 358.486 0.691 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@@H](CN)C1 ZINC000423671757 536652192 /nfs/dbraw/zinc/65/21/92/536652192.db2.gz NMRFHUIMGPJFGA-HZPDHXFCSA-N 1 3 356.511 0.528 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419753569 536745928 /nfs/dbraw/zinc/74/59/28/536745928.db2.gz NXZLIPQDOMWUSZ-CQSZACIVSA-N 1 3 356.511 0.482 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420159059 546909812 /nfs/dbraw/zinc/90/98/12/546909812.db2.gz HPSBREKJGXYKQO-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000550838232 547109728 /nfs/dbraw/zinc/10/97/28/547109728.db2.gz AFNYGRMKZQSDRC-YOEHRIQHSA-N 1 3 356.536 0.483 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000550836900 547110338 /nfs/dbraw/zinc/11/03/38/547110338.db2.gz SXLKIHLVFNLGDF-QGZVFWFLSA-N 1 3 356.536 0.531 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000550840846 547111291 /nfs/dbraw/zinc/11/12/91/547111291.db2.gz VNQCTZOLXKIFLP-SFHVURJKSA-N 1 3 370.563 0.873 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000551016673 547120174 /nfs/dbraw/zinc/12/01/74/547120174.db2.gz RXEIFWMOIGYFKS-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCSC1 ZINC000551216969 547135442 /nfs/dbraw/zinc/13/54/42/547135442.db2.gz GNWMGBYSOHQLKL-QAPCUYQASA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCSC1 ZINC000551216969 547135447 /nfs/dbraw/zinc/13/54/47/547135447.db2.gz GNWMGBYSOHQLKL-QAPCUYQASA-N 1 3 370.563 0.873 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCSC1 ZINC000551217340 547135534 /nfs/dbraw/zinc/13/55/34/547135534.db2.gz MLSCMBATODCUIP-KRWDZBQOSA-N 1 3 356.536 0.388 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(C)C ZINC000551215295 547135593 /nfs/dbraw/zinc/13/55/93/547135593.db2.gz JYUAVPIMTANRMA-KRWDZBQOSA-N 1 3 358.552 0.775 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)N1CCC(C)CC1 ZINC000552687197 547224000 /nfs/dbraw/zinc/22/40/00/547224000.db2.gz CENBWOJGINCQNZ-ZMSDIMECSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552687197 547224005 /nfs/dbraw/zinc/22/40/05/547224005.db2.gz CENBWOJGINCQNZ-ZMSDIMECSA-N 1 3 350.507 0.822 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553699619 547300477 /nfs/dbraw/zinc/30/04/77/547300477.db2.gz BBJBFGVXRWNMAC-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000553699619 547300479 /nfs/dbraw/zinc/30/04/79/547300479.db2.gz BBJBFGVXRWNMAC-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C[C@@H](C)O1 ZINC000553704968 547302130 /nfs/dbraw/zinc/30/21/30/547302130.db2.gz LAWKHBLRBIXGNF-VBCSKYIJSA-N 1 3 352.479 0.986 20 0 FCADHO CCC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736481805 598531079 /nfs/dbraw/zinc/53/10/79/598531079.db2.gz YKPBIWRFCAVGPD-CQSZACIVSA-N 1 3 359.482 0.817 20 0 FCADHO CCC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736481805 598531080 /nfs/dbraw/zinc/53/10/80/598531080.db2.gz YKPBIWRFCAVGPD-CQSZACIVSA-N 1 3 359.482 0.817 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCC(C)CC3)C2)CC[N@@H+]1C ZINC000954406426 674496368 /nfs/dbraw/zinc/49/63/68/674496368.db2.gz VWABTTNWTSPVHP-NVXWUHKLSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCC(C)CC3)C2)CC[N@H+]1C ZINC000954406426 674496371 /nfs/dbraw/zinc/49/63/71/674496371.db2.gz VWABTTNWTSPVHP-NVXWUHKLSA-N 1 3 350.507 0.728 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954408246 674496521 /nfs/dbraw/zinc/49/65/21/674496521.db2.gz AICQFPLABIEFQE-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408246 674496523 /nfs/dbraw/zinc/49/65/23/674496523.db2.gz AICQFPLABIEFQE-OIISXLGYSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000954415950 674497191 /nfs/dbraw/zinc/49/71/91/674497191.db2.gz HGEAJKXEAOKEAB-DLBZAZTESA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000954415950 674497194 /nfs/dbraw/zinc/49/71/94/674497194.db2.gz HGEAJKXEAOKEAB-DLBZAZTESA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000955339539 674511113 /nfs/dbraw/zinc/51/11/13/674511113.db2.gz JHSGVYUFGFLNMZ-BHYGNILZSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000955339539 674511117 /nfs/dbraw/zinc/51/11/17/674511117.db2.gz JHSGVYUFGFLNMZ-BHYGNILZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552451 674545876 /nfs/dbraw/zinc/54/58/76/674545876.db2.gz PVCAYAOOXDNDEY-BZUAXINKSA-N 1 3 350.507 0.905 20 0 FCADHO C[C@H](C(N)=O)N1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552451 674545879 /nfs/dbraw/zinc/54/58/79/674545879.db2.gz PVCAYAOOXDNDEY-BZUAXINKSA-N 1 3 350.507 0.905 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891483847 663408973 /nfs/dbraw/zinc/40/89/73/663408973.db2.gz RZJZCVQUCIKOHM-XHSDSOJGSA-N 1 3 351.495 0.465 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891536034 663412192 /nfs/dbraw/zinc/41/21/92/663412192.db2.gz BJCSRGHVQYVFEX-JHJVBQTASA-N 1 3 352.401 0.876 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891536037 663412205 /nfs/dbraw/zinc/41/22/05/663412205.db2.gz BJCSRGHVQYVFEX-YNEHKIRRSA-N 1 3 352.401 0.876 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423617637 664446402 /nfs/dbraw/zinc/44/64/02/664446402.db2.gz WCLWCIMSAKYCSN-GOSISDBHSA-N 1 3 364.515 0.993 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000978869565 664448371 /nfs/dbraw/zinc/44/83/71/664448371.db2.gz GPUPHQPUUNZWEV-OVYGPGRDSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000978869565 664448373 /nfs/dbraw/zinc/44/83/73/664448373.db2.gz GPUPHQPUUNZWEV-OVYGPGRDSA-N 1 3 350.507 0.679 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)CC(=O)N3CCC3)CC2)CC[N@@H+]1C ZINC000985442082 665167692 /nfs/dbraw/zinc/16/76/92/665167692.db2.gz PLTCXXCCWDRBIV-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)CC(=O)N3CCC3)CC2)CC[N@H+]1C ZINC000985442082 665167693 /nfs/dbraw/zinc/16/76/93/665167693.db2.gz PLTCXXCCWDRBIV-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)[C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001029966522 665219652 /nfs/dbraw/zinc/21/96/52/665219652.db2.gz WKDSHLOCJMAERA-OIISXLGYSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)[C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001029966522 665219653 /nfs/dbraw/zinc/21/96/53/665219653.db2.gz WKDSHLOCJMAERA-OIISXLGYSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC000987954889 665271231 /nfs/dbraw/zinc/27/12/31/665271231.db2.gz XUTPBUCGFHZQHN-PVAVHDDUSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CN(C)C1CCC1 ZINC000988783173 665314356 /nfs/dbraw/zinc/31/43/56/665314356.db2.gz PBZOPPHVDBNGSY-PBHICJAKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000940771264 666561810 /nfs/dbraw/zinc/56/18/10/666561810.db2.gz HKAHJBWLWKFEEX-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000940771264 666561812 /nfs/dbraw/zinc/56/18/12/666561812.db2.gz HKAHJBWLWKFEEX-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)N(C)C ZINC000942549408 666736189 /nfs/dbraw/zinc/73/61/89/666736189.db2.gz SZTFCTQIDKXVSW-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCC(=O)N3CCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827258 666891612 /nfs/dbraw/zinc/89/16/12/666891612.db2.gz TZBVBOZFBXXMIM-XHSDSOJGSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCC(=O)N3CCC3)C(C)(C)C2)CC[N@H+]1C ZINC000995827258 666891616 /nfs/dbraw/zinc/89/16/16/666891616.db2.gz TZBVBOZFBXXMIM-XHSDSOJGSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCCN3CC)C2)CC[N@@H+]1C ZINC000993882311 666945840 /nfs/dbraw/zinc/94/58/40/666945840.db2.gz CXCYLZSAQWFDHD-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCCN3CC)C2)CC[N@H+]1C ZINC000993882311 666945843 /nfs/dbraw/zinc/94/58/43/666945843.db2.gz CXCYLZSAQWFDHD-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO CN1CCC(NC(=S)NCCCC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000920310306 667235043 /nfs/dbraw/zinc/23/50/43/667235043.db2.gz ZLVPXLLFSOSLAC-UHFFFAOYSA-N 1 3 355.552 0.522 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCN3CCCC3=O)CC2)CC[N@@H+]1C ZINC001005406549 667740070 /nfs/dbraw/zinc/74/00/70/667740070.db2.gz DWNIALYLUXNWEF-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCN3CCCC3=O)CC2)CC[N@H+]1C ZINC001005406549 667740074 /nfs/dbraw/zinc/74/00/74/667740074.db2.gz DWNIALYLUXNWEF-NVXWUHKLSA-N 1 3 350.507 0.872 20 0 FCADHO CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923489600 667840707 /nfs/dbraw/zinc/84/07/07/667840707.db2.gz PRXWZYYVGWBXOJ-CQSZACIVSA-N 1 3 352.504 0.884 20 0 FCADHO O=S(=O)(NCC1CCN(Cc2cccs2)CC1)N1CC[NH2+]CC1 ZINC000923602346 667873465 /nfs/dbraw/zinc/87/34/65/667873465.db2.gz MALZYYXAIMFYMW-UHFFFAOYSA-N 1 3 358.533 0.700 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000761676981 667893468 /nfs/dbraw/zinc/89/34/68/667893468.db2.gz GBQYCYPVOWFGHU-HOTGVXAUSA-N 1 3 354.495 0.384 20 0 FCADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000774788117 668174006 /nfs/dbraw/zinc/17/40/06/668174006.db2.gz HNZBUJYCGXXKEE-HZPDHXFCSA-N 1 3 354.495 0.201 20 0 FCADHO CN1CCN(CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1(C)C ZINC000819288325 668994729 /nfs/dbraw/zinc/99/47/29/668994729.db2.gz XOGUATBPMSDJNE-SFHVURJKSA-N 1 3 358.527 0.878 20 0 FCADHO CN(C)Cc1cnc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000796307900 669095761 /nfs/dbraw/zinc/09/57/61/669095761.db2.gz NVMICXXAWNISPX-HNNXBMFYSA-N 1 3 353.536 0.701 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@H]3CCO)CC2)CC1 ZINC000847619750 671212345 /nfs/dbraw/zinc/21/23/45/671212345.db2.gz AHPMGFQEKFMVSW-GOSISDBHSA-N 1 3 353.507 0.793 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000851692344 671458406 /nfs/dbraw/zinc/45/84/06/671458406.db2.gz ZYFDJUKTUBVZTK-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)nc1 ZINC000903525334 675938673 /nfs/dbraw/zinc/93/86/73/675938673.db2.gz FFXITPBIBNFFST-DYVFJYSZSA-N 1 3 365.865 0.910 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(CC[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000863551455 672136853 /nfs/dbraw/zinc/13/68/53/672136853.db2.gz MYRUBLRGYPMFTK-MRXNPFEDSA-N 1 3 356.511 0.585 20 0 FCADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923622890 672510626 /nfs/dbraw/zinc/51/06/26/672510626.db2.gz TXMFHZRBJAMDFJ-SFHVURJKSA-N 1 3 366.531 0.980 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001423580 676071449 /nfs/dbraw/zinc/07/14/49/676071449.db2.gz DUHSGEYFWRVAFD-GVDBMIGSSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001423580 676071452 /nfs/dbraw/zinc/07/14/52/676071452.db2.gz DUHSGEYFWRVAFD-GVDBMIGSSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050525408 676085539 /nfs/dbraw/zinc/08/55/39/676085539.db2.gz WPQUBIWNVNFUNK-OWCLPIDISA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050525408 676085540 /nfs/dbraw/zinc/08/55/40/676085540.db2.gz WPQUBIWNVNFUNK-OWCLPIDISA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@H](C)C(=O)NC)CC3)CC[N@@H+]1C ZINC001050524045 676085544 /nfs/dbraw/zinc/08/55/44/676085544.db2.gz RMWPHKXXGBRQEV-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN([C@H](C)C(=O)NC)CC3)CC[N@H+]1C ZINC001050524045 676085545 /nfs/dbraw/zinc/08/55/45/676085545.db2.gz RMWPHKXXGBRQEV-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO CN1CC[NH+](C2CCN(CCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000879593810 673129869 /nfs/dbraw/zinc/12/98/69/673129869.db2.gz NZOSZKJGWFHSBH-UHFFFAOYSA-N 1 3 366.531 0.588 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883225280 673369310 /nfs/dbraw/zinc/36/93/10/673369310.db2.gz CVYNMNHOKDAKCY-HNNXBMFYSA-N 1 3 353.511 0.842 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)CC2)CC1 ZINC000883248878 673369745 /nfs/dbraw/zinc/36/97/45/673369745.db2.gz JWXWKCSVEHUVKL-KOMQPUFPSA-N 1 3 372.535 0.420 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000884612497 673465896 /nfs/dbraw/zinc/46/58/96/673465896.db2.gz MSTXPVVHFSNJHU-CXAGYDPISA-N 1 3 356.536 0.434 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885203908 673508266 /nfs/dbraw/zinc/50/82/66/673508266.db2.gz DTCKZIZIKYDHAX-UHFFFAOYSA-N 1 3 352.454 0.960 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C)C1 ZINC000885276630 673511374 /nfs/dbraw/zinc/51/13/74/673511374.db2.gz SGVZWPXFNGRTCL-RDBSUJKOSA-N 1 3 360.449 0.584 20 0 FCADHO C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000927639838 673874146 /nfs/dbraw/zinc/87/41/46/673874146.db2.gz FXBNJLMMWVWFIO-QGZVFWFLSA-N 1 3 354.495 0.338 20 0 FCADHO C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000927639838 673874149 /nfs/dbraw/zinc/87/41/49/673874149.db2.gz FXBNJLMMWVWFIO-QGZVFWFLSA-N 1 3 354.495 0.338 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104291932 1169658786 /nfs/dbraw/zinc/65/87/86/1169658786.db2.gz AESISTDVBOKSKT-DJIMGWMZSA-N 1 3 365.522 0.426 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@@H+]1C ZINC001021809629 1170085502 /nfs/dbraw/zinc/08/55/02/1170085502.db2.gz YZAZCZGJOCPOFP-QMCVQRASSA-N 1 3 359.474 0.742 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)CC[N@H+]1C ZINC001021809629 1170085506 /nfs/dbraw/zinc/08/55/06/1170085506.db2.gz YZAZCZGJOCPOFP-QMCVQRASSA-N 1 3 359.474 0.742 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001266866457 1170833495 /nfs/dbraw/zinc/83/34/95/1170833495.db2.gz AVXVORMIFDDYBJ-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N2CCOCC2)CC[N@H+]1C ZINC001266866457 1170833501 /nfs/dbraw/zinc/83/35/01/1170833501.db2.gz AVXVORMIFDDYBJ-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001691258703 1170925334 /nfs/dbraw/zinc/92/53/34/1170925334.db2.gz LLDVZHLUTPEFJB-JKSUJKDBSA-N 1 3 363.506 0.905 20 0 FCADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H](NCc2ncccn2)C1 ZINC001691268472 1171003241 /nfs/dbraw/zinc/00/32/41/1171003241.db2.gz QAAMESVILJITBS-YESZJQIVSA-N 1 3 361.490 0.819 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001691268472 1171003254 /nfs/dbraw/zinc/00/32/54/1171003254.db2.gz QAAMESVILJITBS-YESZJQIVSA-N 1 3 361.490 0.819 20 0 FCADHO CCO[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CC(N)=O ZINC001691337825 1171143186 /nfs/dbraw/zinc/14/31/86/1171143186.db2.gz KXPUJHHXSUHASV-IAGOWNOFSA-N 1 3 362.474 0.300 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000892233377 1171785253 /nfs/dbraw/zinc/78/52/53/1171785253.db2.gz OSBQOAHUAJMHMK-UHFFFAOYSA-N 1 3 365.522 0.892 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547731 1192784469 /nfs/dbraw/zinc/78/44/69/1192784469.db2.gz FPLLRWIYWNBJJB-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547731 1192784473 /nfs/dbraw/zinc/78/44/73/1192784473.db2.gz FPLLRWIYWNBJJB-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000537227318 1192788479 /nfs/dbraw/zinc/78/84/79/1192788479.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000537227318 1192788481 /nfs/dbraw/zinc/78/84/81/1192788481.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCCN(C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000537227318 1192788483 /nfs/dbraw/zinc/78/84/83/1192788483.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CCCN(C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000537227318 1192788487 /nfs/dbraw/zinc/78/84/87/1192788487.db2.gz AEPYMXAGQCXCOF-FVQHAEBGSA-N 1 3 368.522 0.233 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000659073606 1180051617 /nfs/dbraw/zinc/05/16/17/1180051617.db2.gz BIANKFJKURDOAA-DLBZAZTESA-N 1 3 368.522 0.545 20 0 FCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000892497862 1181356169 /nfs/dbraw/zinc/35/61/69/1181356169.db2.gz ZEAOTFCNLMDPKS-MRXNPFEDSA-N 1 3 365.522 0.714 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001104679137 1182360136 /nfs/dbraw/zinc/36/01/36/1182360136.db2.gz GVAPADGYAPGEBM-BRWVUGGUSA-N 1 3 365.522 0.428 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892789773 1182507012 /nfs/dbraw/zinc/50/70/12/1182507012.db2.gz SUIAOTOBIMGPNW-KRWDZBQOSA-N 1 3 361.490 0.362 20 0 FCADHO CCn1nncc1CNCC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913790 1182993540 /nfs/dbraw/zinc/99/35/40/1182993540.db2.gz DNSXQOBQULCZBU-HZPDHXFCSA-N 1 3 360.506 0.968 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCCOC)C1 ZINC001104937861 1183011133 /nfs/dbraw/zinc/01/11/33/1183011133.db2.gz JWWXIHIFFQSWNP-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001105014438 1183068996 /nfs/dbraw/zinc/06/89/96/1183068996.db2.gz PWUCYZNYRVPRHE-HUUCEWRRSA-N 1 3 363.462 0.783 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC000975203925 1183767032 /nfs/dbraw/zinc/76/70/32/1183767032.db2.gz OVQJLVYINPYHMD-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC000975203925 1183767038 /nfs/dbraw/zinc/76/70/38/1183767038.db2.gz OVQJLVYINPYHMD-BRWVUGGUSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765691 1185704694 /nfs/dbraw/zinc/70/46/94/1185704694.db2.gz RLVUBLJRBYMCPI-JZXOWHBKSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765691 1185704707 /nfs/dbraw/zinc/70/47/07/1185704707.db2.gz RLVUBLJRBYMCPI-JZXOWHBKSA-N 1 3 362.518 0.872 20 0 FCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1 ZINC001211709692 1186687742 /nfs/dbraw/zinc/68/77/42/1186687742.db2.gz VOYKKYOFHKMVRK-BPQIPLTHSA-N 1 3 370.497 0.801 20 0 FCADHO CCn1ccnc1CN[C@@]12CC[C@@](NC(=O)CN(C)C(N)=[NH2+])(C1)CCC2 ZINC001269992379 1187961426 /nfs/dbraw/zinc/96/14/26/1187961426.db2.gz IVLAKVOQZLPBCI-ZWKOTPCHSA-N 1 3 361.494 0.779 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895851933 1189887794 /nfs/dbraw/zinc/88/77/94/1189887794.db2.gz ZVHGOCDERJUIFW-KURKYZTESA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895851933 1189887795 /nfs/dbraw/zinc/88/77/95/1189887795.db2.gz ZVHGOCDERJUIFW-KURKYZTESA-N 1 3 366.506 0.480 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC[N@@H+]1C ZINC000986192302 1190918153 /nfs/dbraw/zinc/91/81/53/1190918153.db2.gz POOLNVNHKQLBGZ-MXSMSXNCSA-N 1 3 373.501 0.989 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC[N@H+]1C ZINC000986192302 1190918157 /nfs/dbraw/zinc/91/81/57/1190918157.db2.gz POOLNVNHKQLBGZ-MXSMSXNCSA-N 1 3 373.501 0.989 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425238 1190987159 /nfs/dbraw/zinc/98/71/59/1190987159.db2.gz OVIOXJGAQAAITL-IXDOHACOSA-N 1 3 360.502 0.483 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]3C2)C1 ZINC000986682797 1191085642 /nfs/dbraw/zinc/08/56/42/1191085642.db2.gz IGGMRZLHRBOFHS-KSZLIROESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]3C2)C1 ZINC000986682797 1191085645 /nfs/dbraw/zinc/08/56/45/1191085645.db2.gz IGGMRZLHRBOFHS-KSZLIROESA-N 1 3 362.518 0.731 20 0 FCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618904 1191208359 /nfs/dbraw/zinc/20/83/59/1191208359.db2.gz FMJROIADBQTQJD-IRXDYDNUSA-N 1 3 366.506 0.794 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729618901 1191208686 /nfs/dbraw/zinc/20/86/86/1191208686.db2.gz FMJROIADBQTQJD-IAGOWNOFSA-N 1 3 366.506 0.794 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000550653259 1193725349 /nfs/dbraw/zinc/72/53/49/1193725349.db2.gz IJEBJBJVQURMOT-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000550653259 1193725353 /nfs/dbraw/zinc/72/53/53/1193725353.db2.gz IJEBJBJVQURMOT-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550899669 1193819146 /nfs/dbraw/zinc/81/91/46/1193819146.db2.gz XOYQRVLJFVHTNA-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550899669 1193819147 /nfs/dbraw/zinc/81/91/47/1193819147.db2.gz XOYQRVLJFVHTNA-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000551022822 1193827874 /nfs/dbraw/zinc/82/78/74/1193827874.db2.gz IJPLWQONQBXCID-UHFFFAOYSA-N 1 3 368.522 0.140 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000551022822 1193827876 /nfs/dbraw/zinc/82/78/76/1193827876.db2.gz IJPLWQONQBXCID-UHFFFAOYSA-N 1 3 368.522 0.140 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655364 1193859737 /nfs/dbraw/zinc/85/97/37/1193859737.db2.gz HUNCOJLYUYGYOD-CIWUYKSXSA-N 1 3 369.550 0.923 20 0 FCADHO CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ncn1 ZINC001218576410 1224177148 /nfs/dbraw/zinc/17/71/48/1224177148.db2.gz QKRNRMUUIYYZCO-PIGZYNQJSA-N 1 3 362.434 0.961 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667315 1193930494 /nfs/dbraw/zinc/93/04/94/1193930494.db2.gz QIWWYKBDJBOOEE-VVWQDTPRSA-N 1 3 368.522 0.040 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@@H]1C(C)C ZINC001105667315 1193930497 /nfs/dbraw/zinc/93/04/97/1193930497.db2.gz QIWWYKBDJBOOEE-VVWQDTPRSA-N 1 3 368.522 0.040 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640601 1224188445 /nfs/dbraw/zinc/18/84/45/1224188445.db2.gz KOVCNUPSIREJHD-HNNXBMFYSA-N 1 3 371.445 0.289 20 0 FCADHO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218661369 1224191950 /nfs/dbraw/zinc/19/19/50/1224191950.db2.gz VAAIMJPALDFSMU-ZDUSSCGKSA-N 1 3 360.418 0.508 20 0 FCADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3CNCc4ccnn4C3)cn2)CC1 ZINC001218725599 1224205834 /nfs/dbraw/zinc/20/58/34/1224205834.db2.gz YOUNZONKSPYDBY-CYBMUJFWSA-N 1 3 355.446 0.564 20 0 FCADHO N[C@@H](C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1)C1CC[NH2+]CC1 ZINC001218744906 1224209905 /nfs/dbraw/zinc/20/99/05/1224209905.db2.gz OFFNSVNRIQVFPM-MRXNPFEDSA-N 1 3 358.446 0.889 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239956 1194362784 /nfs/dbraw/zinc/36/27/84/1194362784.db2.gz DWLXBPVGVPIXSL-RYQLBKOJSA-N 1 3 358.486 0.902 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076239956 1194362788 /nfs/dbraw/zinc/36/27/88/1194362788.db2.gz DWLXBPVGVPIXSL-RYQLBKOJSA-N 1 3 358.486 0.902 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242827 1194369733 /nfs/dbraw/zinc/36/97/33/1194369733.db2.gz SWAVWFDPZHNLJZ-RYQLBKOJSA-N 1 3 358.486 0.760 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@H]32)C1 ZINC001076242827 1194369739 /nfs/dbraw/zinc/36/97/39/1194369739.db2.gz SWAVWFDPZHNLJZ-RYQLBKOJSA-N 1 3 358.486 0.760 20 0 FCADHO CCc1nccn1-c1nc(OC)ccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218798307 1224226828 /nfs/dbraw/zinc/22/68/28/1224226828.db2.gz OZCBOQKHZDSCLG-LBPRGKRZSA-N 1 3 356.430 0.586 20 0 FCADHO Cc1ccc(CO)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218811409 1224228247 /nfs/dbraw/zinc/22/82/47/1224228247.db2.gz IBFOYOJUAZXFRW-RDJZCZTQSA-N 1 3 362.474 0.873 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)COC1(C)C ZINC001218937998 1224266151 /nfs/dbraw/zinc/26/61/51/1224266151.db2.gz MMQINUWDJWKICR-LRDDRELGSA-N 1 3 360.458 0.624 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001218971315 1224274917 /nfs/dbraw/zinc/27/49/17/1224274917.db2.gz YBMHNABHIGVUJV-FGTMMUONSA-N 1 3 369.506 0.293 20 0 FCADHO COC(=O)c1c2[nH]ncc2ccc1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218987849 1224279697 /nfs/dbraw/zinc/27/96/97/1224279697.db2.gz NROAUMVJRWZVOZ-LBPRGKRZSA-N 1 3 360.418 0.038 20 0 FCADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)C1 ZINC000904468636 1195539719 /nfs/dbraw/zinc/53/97/19/1195539719.db2.gz DAASICFNJGDYPY-MRXNPFEDSA-N 1 3 366.506 0.335 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000905398140 1195584635 /nfs/dbraw/zinc/58/46/35/1195584635.db2.gz BRTUIQXRTUNFKF-UHFFFAOYSA-N 1 3 373.545 0.414 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000905398140 1195584637 /nfs/dbraw/zinc/58/46/37/1195584637.db2.gz BRTUIQXRTUNFKF-UHFFFAOYSA-N 1 3 373.545 0.414 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)c(C)c2)CC1 ZINC000906698281 1195645980 /nfs/dbraw/zinc/64/59/80/1195645980.db2.gz WCKAJCCSFZDDDT-UHFFFAOYSA-N 1 3 359.474 0.683 20 0 FCADHO N[C@@H](C(=O)Nc1ccccc1NC(=O)c1cnccn1)C1CC[NH2+]CC1 ZINC001219020824 1224295771 /nfs/dbraw/zinc/29/57/71/1224295771.db2.gz OEKNXVHXHSSEMW-MRXNPFEDSA-N 1 3 354.414 0.994 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910843829 1195849224 /nfs/dbraw/zinc/84/92/24/1195849224.db2.gz QKGHKXFYFKZMSM-UHFFFAOYSA-N 1 3 359.474 0.721 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911103988 1195890413 /nfs/dbraw/zinc/89/04/13/1195890413.db2.gz VUUAGNMSBWGLFW-HZPDHXFCSA-N 1 3 373.501 0.921 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911103989 1195890646 /nfs/dbraw/zinc/89/06/46/1195890646.db2.gz VUUAGNMSBWGLFW-JKSUJKDBSA-N 1 3 373.501 0.921 20 0 FCADHO CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219170496 1224373287 /nfs/dbraw/zinc/37/32/87/1224373287.db2.gz SQTYNISZMGHEAI-OAHLLOKOSA-N 1 3 369.425 0.797 20 0 FCADHO COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001219177928 1224374973 /nfs/dbraw/zinc/37/49/73/1224374973.db2.gz CENLSOBXVBGBBW-HNNXBMFYSA-N 1 3 363.462 0.368 20 0 FCADHO COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106245889 1197780453 /nfs/dbraw/zinc/78/04/53/1197780453.db2.gz FPGSKUMTDVLZRU-BRWVUGGUSA-N 1 3 371.522 0.179 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106249584 1197782366 /nfs/dbraw/zinc/78/23/66/1197782366.db2.gz LIJZQPGPNQCCLZ-DDUZABMNSA-N 1 3 364.490 0.160 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281765 1197825228 /nfs/dbraw/zinc/82/52/28/1197825228.db2.gz BLCKKSHNJHOEPM-NXHRZFHOSA-N 1 3 370.538 0.409 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1)N(C)C ZINC000993157977 1197902407 /nfs/dbraw/zinc/90/24/07/1197902407.db2.gz VHFHVYPSSPCUTR-GJYPPUQNSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000993158319 1197903527 /nfs/dbraw/zinc/90/35/27/1197903527.db2.gz ULQODYOYUCSWKE-YZVOILCLSA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000993158319 1197903529 /nfs/dbraw/zinc/90/35/29/1197903529.db2.gz ULQODYOYUCSWKE-YZVOILCLSA-N 1 3 359.474 0.601 20 0 FCADHO CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453505 1197933024 /nfs/dbraw/zinc/93/30/24/1197933024.db2.gz LWVICUKNWUPFEH-MJQPBPLVSA-N 1 3 365.518 0.959 20 0 FCADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134635 1199047719 /nfs/dbraw/zinc/04/77/19/1199047719.db2.gz WASGXXKIXLCEII-ZOVJDJALSA-N 1 3 363.502 0.807 20 0 FCADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C1)C2 ZINC001169134635 1199047725 /nfs/dbraw/zinc/04/77/25/1199047725.db2.gz WASGXXKIXLCEII-ZOVJDJALSA-N 1 3 363.502 0.807 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737601 1224586067 /nfs/dbraw/zinc/58/60/67/1224586067.db2.gz ZVYFRXVYPLXWML-JYJNAYRXSA-N 1 3 368.522 0.385 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCc2ncnn21 ZINC001109980157 1200664364 /nfs/dbraw/zinc/66/43/64/1200664364.db2.gz KGUBBVZSMTUVGN-UGUYLWEFSA-N 1 3 362.478 0.065 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129393087 1200677675 /nfs/dbraw/zinc/67/76/75/1200677675.db2.gz AMTCAUTUQSFSHX-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813072 1224629182 /nfs/dbraw/zinc/62/91/82/1224629182.db2.gz NFVUZDZOKGHSDU-FPXQBCRKSA-N 1 3 368.522 0.243 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112586270 1200822773 /nfs/dbraw/zinc/82/27/73/1200822773.db2.gz QMRKZMQIFCTJDQ-GLJUWKHASA-N 1 3 367.494 0.128 20 0 FCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c(C)c1 ZINC001219834108 1224645220 /nfs/dbraw/zinc/64/52/20/1224645220.db2.gz OIXRJXPQJLYVAC-IMFGXOCKSA-N 1 3 361.486 0.685 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219848106 1224652949 /nfs/dbraw/zinc/65/29/49/1224652949.db2.gz WQGIRZMZZRKWNB-AACLIANESA-N 1 3 356.470 0.348 20 0 FCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000793737393 1201262655 /nfs/dbraw/zinc/26/26/55/1201262655.db2.gz IHJMNFZBGWBLCT-HZPDHXFCSA-N 1 3 366.506 0.345 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129994599 1201465244 /nfs/dbraw/zinc/46/52/44/1201465244.db2.gz XARLKVOCMRTMNI-IXDOHACOSA-N 1 3 366.510 0.632 20 0 FCADHO O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219901525 1224675288 /nfs/dbraw/zinc/67/52/88/1224675288.db2.gz LEKHQCKISARLTC-NJSLBKSFSA-N 1 3 358.442 0.485 20 0 FCADHO O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219901525 1224675291 /nfs/dbraw/zinc/67/52/91/1224675291.db2.gz LEKHQCKISARLTC-NJSLBKSFSA-N 1 3 358.442 0.485 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130047688 1201486389 /nfs/dbraw/zinc/48/63/89/1201486389.db2.gz NZHRIIGCQIMLLG-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085978 1201494271 /nfs/dbraw/zinc/49/42/71/1201494271.db2.gz GMNJLYOOVVNHBY-BBWFWOEESA-N 1 3 364.494 0.386 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085978 1201494273 /nfs/dbraw/zinc/49/42/73/1201494273.db2.gz GMNJLYOOVVNHBY-BBWFWOEESA-N 1 3 364.494 0.386 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001130107142 1201502314 /nfs/dbraw/zinc/50/23/14/1201502314.db2.gz FWMAHGSKOZOULH-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130136970 1201514607 /nfs/dbraw/zinc/51/46/07/1201514607.db2.gz BUCFDXPCYMRXIU-BBWFWOEESA-N 1 3 364.494 0.386 20 0 FCADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137339 1201515332 /nfs/dbraw/zinc/51/53/32/1201515332.db2.gz UOBQXWYIPJEVMB-SJORKVTESA-N 1 3 366.510 0.777 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130221180 1201550398 /nfs/dbraw/zinc/55/03/98/1201550398.db2.gz YKLCGXVDDNLYLJ-DZKIICNBSA-N 1 3 364.494 0.633 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130307677 1201582451 /nfs/dbraw/zinc/58/24/51/1201582451.db2.gz YIVFIICHYYFFIE-OGWOLHLISA-N 1 3 368.522 0.184 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930653 1224686513 /nfs/dbraw/zinc/68/65/13/1224686513.db2.gz FDGNKIFOKWWEQH-BBRMVZONSA-N 1 3 359.474 0.503 20 0 FCADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001220043027 1224735844 /nfs/dbraw/zinc/73/58/44/1224735844.db2.gz BEEIIGPFZAIIBJ-OAHLLOKOSA-N 1 3 357.414 0.621 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130602540 1202732055 /nfs/dbraw/zinc/73/20/55/1202732055.db2.gz HMYSDSDMGDSOQP-ZMSDIMECSA-N 1 3 369.485 0.366 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607633 1202733566 /nfs/dbraw/zinc/73/35/66/1202733566.db2.gz GKGSUXGIWFYKCT-UWWQBHOKSA-N 1 3 363.506 0.823 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607856 1202733627 /nfs/dbraw/zinc/73/36/27/1202733627.db2.gz NTMOWTNQCJEEBM-HLLBOEOZSA-N 1 3 363.506 0.823 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607963 1202734079 /nfs/dbraw/zinc/73/40/79/1202734079.db2.gz USRKIERLPYIPME-JQHSSLGASA-N 1 3 363.506 0.681 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCc2ccnn2C)c1 ZINC001130670302 1202751820 /nfs/dbraw/zinc/75/18/20/1202751820.db2.gz WMOCPRQYXAECCZ-DOTOQJQBSA-N 1 3 359.478 0.190 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001130943858 1202826973 /nfs/dbraw/zinc/82/69/73/1202826973.db2.gz MLDRILNPGDOVQL-ZACQAIPSSA-N 1 3 363.506 0.825 20 0 FCADHO Cn1cc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)cn1 ZINC001131061578 1202853964 /nfs/dbraw/zinc/85/39/64/1202853964.db2.gz GQBUVWPFKCYWJX-HZPDHXFCSA-N 1 3 359.478 0.190 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070401 1202856269 /nfs/dbraw/zinc/85/62/69/1202856269.db2.gz UBYYNDMCMTZJHO-BRWVUGGUSA-N 1 3 363.506 0.682 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808220606 1202876699 /nfs/dbraw/zinc/87/66/99/1202876699.db2.gz KLXSOJZWYOSKGR-SFHVURJKSA-N 1 3 360.502 0.772 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001131517417 1202908094 /nfs/dbraw/zinc/90/80/94/1202908094.db2.gz PKNINXFGIDOUHI-NXHRZFHOSA-N 1 3 366.506 0.058 20 0 FCADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001131519329 1202908311 /nfs/dbraw/zinc/90/83/11/1202908311.db2.gz KYNOKAVQCZYGKO-NUJGCVRESA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001131570632 1202915291 /nfs/dbraw/zinc/91/52/91/1202915291.db2.gz KYNOKAVQCZYGKO-RYRKJORJSA-N 1 3 368.522 0.401 20 0 FCADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(=O)NC)CC1 ZINC001131583189 1202917971 /nfs/dbraw/zinc/91/79/71/1202917971.db2.gz UTHREZVQCIDZJQ-KYJSFNMBSA-N 1 3 368.522 0.448 20 0 FCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126459 1203015597 /nfs/dbraw/zinc/01/55/97/1203015597.db2.gz SFGDEASKEULUFW-MSOLQXFVSA-N 1 3 360.502 0.906 20 0 FCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126459 1203015601 /nfs/dbraw/zinc/01/56/01/1203015601.db2.gz SFGDEASKEULUFW-MSOLQXFVSA-N 1 3 360.502 0.906 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000817975276 1203129748 /nfs/dbraw/zinc/12/97/48/1203129748.db2.gz SMWRUVNWHPYPQA-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO COc1ccc(OC)c([C@H](O)C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000819004970 1203147407 /nfs/dbraw/zinc/14/74/07/1203147407.db2.gz VXRLEEVVCCFWJW-WMLDXEAASA-N 1 3 365.474 0.914 20 0 FCADHO COc1ccc([C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2[NH2+]CCO)cc1 ZINC001090881036 1203329107 /nfs/dbraw/zinc/32/91/07/1203329107.db2.gz WEMOHYWXWUGOPC-AYOQOUSVSA-N 1 3 361.486 0.913 20 0 FCADHO CCOC(=O)CC[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCC ZINC001220230934 1224811210 /nfs/dbraw/zinc/81/12/10/1224811210.db2.gz RSVILFRZZFVJRR-KGLIPLIRSA-N 1 3 369.462 0.252 20 0 FCADHO CCOC(=O)CC[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C(=O)OCC ZINC001220230934 1224811211 /nfs/dbraw/zinc/81/12/11/1224811211.db2.gz RSVILFRZZFVJRR-KGLIPLIRSA-N 1 3 369.462 0.252 20 0 FCADHO COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220296582 1224822801 /nfs/dbraw/zinc/82/28/01/1224822801.db2.gz SIUYEKQAOGEPLJ-DNVCBOLYSA-N 1 3 370.453 0.567 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000846143272 1204596237 /nfs/dbraw/zinc/59/62/37/1204596237.db2.gz DDDAPIPZGSNEAQ-DZVNLGKHSA-N 1 3 366.506 0.778 20 0 FCADHO O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1[NH2+]CC[C@H]1O ZINC001220357330 1224841697 /nfs/dbraw/zinc/84/16/97/1224841697.db2.gz KJHBANJKHOPUMZ-NCOADZHNSA-N 1 3 361.442 0.285 20 0 FCADHO COc1nccc(CN[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001086854395 1204852950 /nfs/dbraw/zinc/85/29/50/1204852950.db2.gz WZMPYFOLBBVJQI-LSDHHAIUSA-N 1 3 359.474 0.956 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1CNCc1nccn1C ZINC001087055663 1204935448 /nfs/dbraw/zinc/93/54/48/1204935448.db2.gz ZRUSZMCGLCMOEN-QBPKDAKJSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1CNCc1nccn1C ZINC001087055663 1204935449 /nfs/dbraw/zinc/93/54/49/1204935449.db2.gz ZRUSZMCGLCMOEN-QBPKDAKJSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001087059353 1204942918 /nfs/dbraw/zinc/94/29/18/1204942918.db2.gz AMESDAXVVNGQNW-NXHRZFHOSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccnc1C ZINC001087100744 1204996744 /nfs/dbraw/zinc/99/67/44/1204996744.db2.gz BLULYUMCQWACIG-LZLYRXPVSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccnc1C ZINC001087100744 1204996749 /nfs/dbraw/zinc/99/67/49/1204996749.db2.gz BLULYUMCQWACIG-LZLYRXPVSA-N 1 3 361.490 0.690 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818407 1205041867 /nfs/dbraw/zinc/04/18/67/1205041867.db2.gz FSORONMGPKSUPJ-MDZRGWNJSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)c1ccncc1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092204335 1205197077 /nfs/dbraw/zinc/19/70/77/1205197077.db2.gz ZTMXRKXIDAZBLU-VLIAUNLRSA-N 1 3 371.485 0.820 20 0 FCADHO CN(C)c1ccncc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092204335 1205197079 /nfs/dbraw/zinc/19/70/79/1205197079.db2.gz ZTMXRKXIDAZBLU-VLIAUNLRSA-N 1 3 371.485 0.820 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)CCNC1 ZINC001220521872 1224905272 /nfs/dbraw/zinc/90/52/72/1224905272.db2.gz RHXGPMSQUZKBBK-CQSZACIVSA-N 1 3 373.457 0.061 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(n3cc(CNC[C@@H]4CCOC4)nn3)C2)CC[N@@H+]1C ZINC001093322714 1206075281 /nfs/dbraw/zinc/07/52/81/1206075281.db2.gz QNZRHGMJTDERAP-JKIFEVAISA-N 1 3 362.478 0.128 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC(n3cc(CNC[C@@H]4CCOC4)nn3)C2)CC[N@H+]1C ZINC001093322714 1206075283 /nfs/dbraw/zinc/07/52/83/1206075283.db2.gz QNZRHGMJTDERAP-JKIFEVAISA-N 1 3 362.478 0.128 20 0 FCADHO CC(C)[C@H]1N(C(=O)C(C)(C)N2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460183 1206083486 /nfs/dbraw/zinc/08/34/86/1206083486.db2.gz QGNDHOYXEFETLC-WOCWXWTJSA-N 1 3 367.534 0.819 20 0 FCADHO COc1cncc(CNC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001094170009 1206198238 /nfs/dbraw/zinc/19/82/38/1206198238.db2.gz HWZDGLRTSIPATN-HUUCEWRRSA-N 1 3 359.474 0.765 20 0 FCADHO CN(C(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577906 1206240605 /nfs/dbraw/zinc/24/06/05/1206240605.db2.gz OWPDUUVGUWCWQB-XAUMDUMWSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12)C1CC1 ZINC001094577906 1206240613 /nfs/dbraw/zinc/24/06/13/1206240613.db2.gz OWPDUUVGUWCWQB-XAUMDUMWSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000774814395 1206474645 /nfs/dbraw/zinc/47/46/45/1206474645.db2.gz HYHIZDLKTQUZNO-CVEARBPZSA-N 1 3 366.506 0.347 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000774855310 1206478393 /nfs/dbraw/zinc/47/83/93/1206478393.db2.gz PZAUZJUALGQRNR-UHFFFAOYSA-N 1 3 360.502 0.830 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000774886838 1206481587 /nfs/dbraw/zinc/48/15/87/1206481587.db2.gz BEKDRLNEHGRTNV-HOTGVXAUSA-N 1 3 366.506 0.347 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC001220643192 1224982605 /nfs/dbraw/zinc/98/26/05/1224982605.db2.gz UADPBSCEOOYWNU-SYNTWQANSA-N 1 3 369.506 0.074 20 0 FCADHO COCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609497 1207466711 /nfs/dbraw/zinc/46/67/11/1207466711.db2.gz FCASNYPNIQYFLC-KZIZELGASA-N 1 3 363.502 0.809 20 0 FCADHO COCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609497 1207466714 /nfs/dbraw/zinc/46/67/14/1207466714.db2.gz FCASNYPNIQYFLC-KZIZELGASA-N 1 3 363.502 0.809 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786209 1207600431 /nfs/dbraw/zinc/60/04/31/1207600431.db2.gz APGURXCAHZOLRG-OKZBNKHCSA-N 1 3 366.506 0.014 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189786209 1207600437 /nfs/dbraw/zinc/60/04/37/1207600437.db2.gz APGURXCAHZOLRG-OKZBNKHCSA-N 1 3 366.506 0.014 20 0 FCADHO CCn1cc(CCN2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189810839 1207603592 /nfs/dbraw/zinc/60/35/92/1207603592.db2.gz JLAVXWGKWNIWHJ-ZWKOTPCHSA-N 1 3 363.506 0.556 20 0 FCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831919 1207978259 /nfs/dbraw/zinc/97/82/59/1207978259.db2.gz IVWKFBGNOAHGDT-PDTHQLTOSA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831919 1207978260 /nfs/dbraw/zinc/97/82/60/1207978260.db2.gz IVWKFBGNOAHGDT-PDTHQLTOSA-N 1 3 363.502 0.757 20 0 FCADHO O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220736210 1225044898 /nfs/dbraw/zinc/04/48/98/1225044898.db2.gz DTMGFHMDVIPTKY-QZTJIDSGSA-N 1 3 358.486 0.882 20 0 FCADHO O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220736210 1225044909 /nfs/dbraw/zinc/04/49/09/1225044909.db2.gz DTMGFHMDVIPTKY-QZTJIDSGSA-N 1 3 358.486 0.882 20 0 FCADHO COCCC1([NH3+])CCN(C(=O)c2cnccc2N2CCN(C)CC2)CC1 ZINC001199359012 1208342489 /nfs/dbraw/zinc/34/24/89/1208342489.db2.gz GTSWSVYHHXMRRE-UHFFFAOYSA-N 1 3 361.490 0.803 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCCOC)C1)N(C)C ZINC001691707340 1208439011 /nfs/dbraw/zinc/43/90/11/1208439011.db2.gz OKKGLNZYUXOTSQ-GVDBMIGSSA-N 1 3 351.495 0.681 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001489589380 1209008864 /nfs/dbraw/zinc/00/88/64/1209008864.db2.gz DSDZEEYGHSKGRW-PMPSAXMXSA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001489589380 1209008868 /nfs/dbraw/zinc/00/88/68/1209008868.db2.gz DSDZEEYGHSKGRW-PMPSAXMXSA-N 1 3 366.506 0.033 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C1)N(C)C ZINC001490044597 1209225315 /nfs/dbraw/zinc/22/53/15/1209225315.db2.gz PWEVVJKJHKRHBS-RYRKJORJSA-N 1 3 352.523 0.831 20 0 FCADHO O=C(NC1CCCC1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001220909201 1225134560 /nfs/dbraw/zinc/13/45/60/1225134560.db2.gz NFVCYNUXVHAKDN-AUUYWEPGSA-N 1 3 363.506 0.418 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000851665770 1209508918 /nfs/dbraw/zinc/50/89/18/1209508918.db2.gz CWDUJNOPQJNAIF-KRWDZBQOSA-N 1 3 361.490 0.535 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926590 1225144398 /nfs/dbraw/zinc/14/43/98/1225144398.db2.gz SFRHZHJRPPCIHL-MRXNPFEDSA-N 1 3 362.478 0.186 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2nccnc21 ZINC001220950733 1225153838 /nfs/dbraw/zinc/15/38/38/1225153838.db2.gz DRNJXRTXCVTXMK-IMJJTQAJSA-N 1 3 374.489 0.418 20 0 FCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001220970997 1225165835 /nfs/dbraw/zinc/16/58/35/1225165835.db2.gz ORKZDKQCUMKCMH-HOTGVXAUSA-N 1 3 362.449 0.570 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000861539858 1209870139 /nfs/dbraw/zinc/87/01/39/1209870139.db2.gz QIKPSERVTIPADG-OAHLLOKOSA-N 1 3 361.490 0.568 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c2)CC1 ZINC000861542673 1209870568 /nfs/dbraw/zinc/87/05/68/1209870568.db2.gz RRFWCMYDTUMQBJ-OAHLLOKOSA-N 1 3 361.490 0.961 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861573571 1209871835 /nfs/dbraw/zinc/87/18/35/1209871835.db2.gz JLXKVNKQAXUCCE-FGTMMUONSA-N 1 3 366.506 0.650 20 0 FCADHO O=C(NC1CN(c2ncnc3ccccc32)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220985590 1225174283 /nfs/dbraw/zinc/17/42/83/1225174283.db2.gz XWAROVHCCGBLMG-KRWDZBQOSA-N 1 3 366.469 0.809 20 0 FCADHO O=C(NC1CN(c2ncnc3ccccc32)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220985590 1225174287 /nfs/dbraw/zinc/17/42/87/1225174287.db2.gz XWAROVHCCGBLMG-KRWDZBQOSA-N 1 3 366.469 0.809 20 0 FCADHO O=C(NC1CN(c2ncnc3ccccc32)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220985591 1225174787 /nfs/dbraw/zinc/17/47/87/1225174787.db2.gz XWAROVHCCGBLMG-QGZVFWFLSA-N 1 3 366.469 0.809 20 0 FCADHO O=C(NC1CN(c2ncnc3ccccc32)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220985591 1225174791 /nfs/dbraw/zinc/17/47/91/1225174791.db2.gz XWAROVHCCGBLMG-QGZVFWFLSA-N 1 3 366.469 0.809 20 0 FCADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000868309767 1210051102 /nfs/dbraw/zinc/05/11/02/1210051102.db2.gz MGCZWXHQGKWQSF-HNNXBMFYSA-N 1 3 373.501 0.883 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875155456 1210343056 /nfs/dbraw/zinc/34/30/56/1210343056.db2.gz AVQMSUSZSFNJSX-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875155456 1210343059 /nfs/dbraw/zinc/34/30/59/1210343059.db2.gz AVQMSUSZSFNJSX-UHFFFAOYSA-N 1 3 367.538 0.073 20 0 FCADHO CC[NH+](CC)CCOCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875487944 1210376509 /nfs/dbraw/zinc/37/65/09/1210376509.db2.gz JUWONOLLVPDDMJ-UHFFFAOYSA-N 1 3 369.554 0.766 20 0 FCADHO CCN1CCN([C@@H](C)CNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780077 1210429018 /nfs/dbraw/zinc/42/90/18/1210429018.db2.gz CLJFDDSYADQAER-DLBZAZTESA-N 1 3 362.522 0.872 20 0 FCADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)nn1 ZINC000877207223 1210439641 /nfs/dbraw/zinc/43/96/41/1210439641.db2.gz PLAQSSQJVOXDLI-ZWKOTPCHSA-N 1 3 354.458 0.978 20 0 FCADHO CN1CCN(C2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000878847818 1210467558 /nfs/dbraw/zinc/46/75/58/1210467558.db2.gz BCFBUIDIOIWUSK-UHFFFAOYSA-N 1 3 363.510 0.688 20 0 FCADHO COc1cccc(C2(NC(=O)CN3CCCC[C@H](N)C3=O)CC[NH2+]CC2)c1 ZINC001221095546 1225221212 /nfs/dbraw/zinc/22/12/12/1225221212.db2.gz AORITZIMIZXBLN-KRWDZBQOSA-N 1 3 374.485 0.730 20 0 FCADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(C(=O)N2CCOCC2)c1 ZINC000882581169 1210626799 /nfs/dbraw/zinc/62/67/99/1210626799.db2.gz PKLKXZBSHCBQHC-INIZCTEOSA-N 1 3 363.506 0.660 20 0 FCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(C(=O)N2CCOCC2)c1 ZINC000882581169 1210626810 /nfs/dbraw/zinc/62/68/10/1210626810.db2.gz PKLKXZBSHCBQHC-INIZCTEOSA-N 1 3 363.506 0.660 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116000 1225228267 /nfs/dbraw/zinc/22/82/67/1225228267.db2.gz HAYSBTGIOGXQRC-INIZCTEOSA-N 1 3 361.490 0.453 20 0 FCADHO CC[N@H+](CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000883285287 1210660890 /nfs/dbraw/zinc/66/08/90/1210660890.db2.gz LHCXCGRSIDDJFJ-UHFFFAOYSA-N 1 3 365.522 0.986 20 0 FCADHO CC[N@@H+](CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)C1CC1 ZINC000883285287 1210660896 /nfs/dbraw/zinc/66/08/96/1210660896.db2.gz LHCXCGRSIDDJFJ-UHFFFAOYSA-N 1 3 365.522 0.986 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883331898 1210661949 /nfs/dbraw/zinc/66/19/49/1210661949.db2.gz JFNAMQNIVGBXBS-FGTMMUONSA-N 1 3 366.506 0.792 20 0 FCADHO COCC[C@@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000884236375 1210725553 /nfs/dbraw/zinc/72/55/53/1210725553.db2.gz SQRDEKPUTWQELG-MRXNPFEDSA-N 1 3 364.490 0.639 20 0 FCADHO CCN(C(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884509560 1210741813 /nfs/dbraw/zinc/74/18/13/1210741813.db2.gz JNPOLWHWLJVLQI-MAUKXSAKSA-N 1 3 373.501 0.934 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884576576 1210754012 /nfs/dbraw/zinc/75/40/12/1210754012.db2.gz KUHHZUUUDZMJAA-UHFFFAOYSA-N 1 3 358.486 0.797 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884577430 1210755248 /nfs/dbraw/zinc/75/52/48/1210755248.db2.gz FFQQPFFSGGHYMY-CVEARBPZSA-N 1 3 366.506 0.252 20 0 FCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000884656656 1210773309 /nfs/dbraw/zinc/77/33/09/1210773309.db2.gz OYVKUEYXJVXKSB-OAHLLOKOSA-N 1 3 368.522 0.593 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884670031 1210775692 /nfs/dbraw/zinc/77/56/92/1210775692.db2.gz NIIVSQXZWKUGRV-MRXNPFEDSA-N 1 3 367.538 0.106 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884670030 1210776338 /nfs/dbraw/zinc/77/63/38/1210776338.db2.gz NIIVSQXZWKUGRV-INIZCTEOSA-N 1 3 367.538 0.106 20 0 FCADHO CN1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000884839145 1210800763 /nfs/dbraw/zinc/80/07/63/1210800763.db2.gz ZREPVCORFMICPQ-UHFFFAOYSA-N 1 3 358.486 0.891 20 0 FCADHO O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000884847720 1210801247 /nfs/dbraw/zinc/80/12/47/1210801247.db2.gz IRTVWPXVSBXZDK-KRWDZBQOSA-N 1 3 356.470 0.645 20 0 FCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137884 1210811886 /nfs/dbraw/zinc/81/18/86/1210811886.db2.gz KPLQCHNUPMGYMJ-GJZGRUSLSA-N 1 3 366.506 0.250 20 0 FCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885152564 1210813094 /nfs/dbraw/zinc/81/30/94/1210813094.db2.gz QYIVMXMVWZFSNF-SJORKVTESA-N 1 3 358.486 0.806 20 0 FCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000885152564 1210813095 /nfs/dbraw/zinc/81/30/95/1210813095.db2.gz QYIVMXMVWZFSNF-SJORKVTESA-N 1 3 358.486 0.806 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000885157301 1210813603 /nfs/dbraw/zinc/81/36/03/1210813603.db2.gz KOUSQKCSYSCAMP-MSOLQXFVSA-N 1 3 358.486 0.760 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000885167993 1210814414 /nfs/dbraw/zinc/81/44/14/1210814414.db2.gz RZURUCXOPVBAQO-OALUTQOASA-N 1 3 370.497 0.904 20 0 FCADHO CCN(C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000886990735 1210841651 /nfs/dbraw/zinc/84/16/51/1210841651.db2.gz STXWHEAVFVNODE-GOSISDBHSA-N 1 3 373.501 0.977 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3nnnn3C)CC2)CC1 ZINC000890089164 1210963867 /nfs/dbraw/zinc/96/38/67/1210963867.db2.gz VIESKKYOMXIACS-UHFFFAOYSA-N 1 3 363.510 0.455 20 0 FCADHO COCCn1cc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cn1 ZINC001275972632 1211319448 /nfs/dbraw/zinc/31/94/48/1211319448.db2.gz IFHIFUCJBOCXPT-UHFFFAOYSA-N 1 3 363.506 0.906 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371304403 1211335626 /nfs/dbraw/zinc/33/56/26/1211335626.db2.gz SZDGAGWQIYGIIH-BZSNNMDCSA-N 1 3 367.538 0.375 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000546592028 1211438461 /nfs/dbraw/zinc/43/84/61/1211438461.db2.gz BOKGIJDNSIRDHU-DNVCBOLYSA-N 1 3 361.490 0.973 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000546592028 1211438464 /nfs/dbraw/zinc/43/84/64/1211438464.db2.gz BOKGIJDNSIRDHU-DNVCBOLYSA-N 1 3 361.490 0.973 20 0 FCADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C[C@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820136 1225288924 /nfs/dbraw/zinc/28/89/24/1225288924.db2.gz YTKFXLGRSZNIPX-CABCVRRESA-N 1 3 369.506 0.469 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCn1cncn1)c1ccn2c[nH+]cc2c1 ZINC001095695304 1211449774 /nfs/dbraw/zinc/44/97/74/1211449774.db2.gz RUKOUTMAMKKILS-PVAVHDDUSA-N 1 3 351.414 0.961 20 0 FCADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000924721949 1211478362 /nfs/dbraw/zinc/47/83/62/1211478362.db2.gz ITSPFCBNPSFQCK-KRWDZBQOSA-N 1 3 360.458 0.625 20 0 FCADHO Cc1ccc(N2C(=O)N[C@H](CN(C)C)C2=O)cc1NC(=O)CC[NH+](C)C ZINC000927218384 1211567486 /nfs/dbraw/zinc/56/74/86/1211567486.db2.gz ZYYWEEVULXEPBK-OAHLLOKOSA-N 1 3 361.446 0.872 20 0 FCADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221393400 1225306450 /nfs/dbraw/zinc/30/64/50/1225306450.db2.gz XSUNFNMMBUXTHQ-QGZVFWFLSA-N 1 3 358.486 0.921 20 0 FCADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221393400 1225306443 /nfs/dbraw/zinc/30/64/43/1225306443.db2.gz XSUNFNMMBUXTHQ-QGZVFWFLSA-N 1 3 358.486 0.921 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001110980011 1211683726 /nfs/dbraw/zinc/68/37/26/1211683726.db2.gz MXBMSCGQJYJSAE-ATLSCFEFSA-N 1 3 365.474 0.830 20 0 FCADHO CN(C)[C@H](CNC(=O)CN1CCC(O)(C[NH+](C)C)CC1)c1ccccc1 ZINC000931483210 1211757861 /nfs/dbraw/zinc/75/78/61/1211757861.db2.gz YKBFHMNCAAMMNC-GOSISDBHSA-N 1 3 362.518 0.794 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001111297600 1212479566 /nfs/dbraw/zinc/47/95/66/1212479566.db2.gz LOJYNOBZQJMLLL-XDNAFOTISA-N 1 3 363.506 0.697 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007499040 1212509817 /nfs/dbraw/zinc/50/98/17/1212509817.db2.gz AFIQKELKZNFCLA-VPWXQRGCSA-N 1 3 371.485 0.791 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659863 1225423104 /nfs/dbraw/zinc/42/31/04/1225423104.db2.gz ZZTNYERUIWQNFL-BPQIPLTHSA-N 1 3 362.474 0.448 20 0 FCADHO COCCC[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276315691 1213403326 /nfs/dbraw/zinc/40/33/26/1213403326.db2.gz MMERBADDUXSSIO-UHFFFAOYSA-N 1 3 366.550 0.975 20 0 FCADHO CNC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000959974380 1213568146 /nfs/dbraw/zinc/56/81/46/1213568146.db2.gz PNMVLJSDCVTKAA-HBRVENNYSA-N 1 3 370.497 0.933 20 0 FCADHO CNC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000959974380 1213568148 /nfs/dbraw/zinc/56/81/48/1213568148.db2.gz PNMVLJSDCVTKAA-HBRVENNYSA-N 1 3 370.497 0.933 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959978137 1213569858 /nfs/dbraw/zinc/56/98/58/1213569858.db2.gz ZCJVXQAQDPZJBK-FUEZWAHWSA-N 1 3 356.470 0.672 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C(N)=O)cc4)C[C@H]32)CC[N@H+]1C ZINC000959978137 1213569861 /nfs/dbraw/zinc/56/98/61/1213569861.db2.gz ZCJVXQAQDPZJBK-FUEZWAHWSA-N 1 3 356.470 0.672 20 0 FCADHO CC(C)COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787403 1225481500 /nfs/dbraw/zinc/48/15/00/1225481500.db2.gz QMPLCHVPHOWMDT-GUDVDZBRSA-N 1 3 367.534 0.894 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@@H+]1C ZINC001010899425 1213822721 /nfs/dbraw/zinc/82/27/21/1213822721.db2.gz MYPAOOHDLMUJFP-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC[N@H+]1C ZINC001010899425 1213822724 /nfs/dbraw/zinc/82/27/24/1213822724.db2.gz MYPAOOHDLMUJFP-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC001221791325 1225482195 /nfs/dbraw/zinc/48/21/95/1225482195.db2.gz GDQITUAFZGMSPR-SOLBZPMBSA-N 1 3 369.506 0.027 20 0 FCADHO c1c(CN2CCOC[C@]3(CNCCO3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222191529 1225610091 /nfs/dbraw/zinc/61/00/91/1225610091.db2.gz MTNJWZQQNPQYOI-FQEVSTJZSA-N 1 3 356.470 0.935 20 0 FCADHO C[C@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524588 1216330757 /nfs/dbraw/zinc/33/07/57/1216330757.db2.gz HAEDTXMPWSWQGX-BFYDXBDKSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524588 1216330763 /nfs/dbraw/zinc/33/07/63/1216330763.db2.gz HAEDTXMPWSWQGX-BFYDXBDKSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCC(=O)NC2=O)CC3)CC[N@@H+]1C ZINC001050525442 1216331735 /nfs/dbraw/zinc/33/17/35/1216331735.db2.gz XLEXBLFGKRXKQM-RBSFLKMASA-N 1 3 362.474 0.056 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCC(=O)NC2=O)CC3)CC[N@H+]1C ZINC001050525442 1216331743 /nfs/dbraw/zinc/33/17/43/1216331743.db2.gz XLEXBLFGKRXKQM-RBSFLKMASA-N 1 3 362.474 0.056 20 0 FCADHO COc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623890 1216468851 /nfs/dbraw/zinc/46/88/51/1216468851.db2.gz KGOXMRAVSKKCJJ-DJIMGWMZSA-N 1 3 362.474 0.747 20 0 FCADHO COc1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)ccn1 ZINC001051623890 1216468859 /nfs/dbraw/zinc/46/88/59/1216468859.db2.gz KGOXMRAVSKKCJJ-DJIMGWMZSA-N 1 3 362.474 0.747 20 0 FCADHO COc1ccc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625272 1216470549 /nfs/dbraw/zinc/47/05/49/1216470549.db2.gz YFEWCTJNUISRIX-HYVNUMGLSA-N 1 3 362.474 0.747 20 0 FCADHO COc1ccc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)cn1 ZINC001051625272 1216470560 /nfs/dbraw/zinc/47/05/60/1216470560.db2.gz YFEWCTJNUISRIX-HYVNUMGLSA-N 1 3 362.474 0.747 20 0 FCADHO O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928997 1216848711 /nfs/dbraw/zinc/84/87/11/1216848711.db2.gz PQVMWRMLBCLZSU-KSZLIROESA-N 1 3 358.490 0.762 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916256 1225745790 /nfs/dbraw/zinc/74/57/90/1225745790.db2.gz CZAMLCDUPQLMJF-JZXOWHBKSA-N 1 3 362.518 0.777 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916256 1225745794 /nfs/dbraw/zinc/74/57/94/1225745794.db2.gz CZAMLCDUPQLMJF-JZXOWHBKSA-N 1 3 362.518 0.777 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000803564423 1218436920 /nfs/dbraw/zinc/43/69/20/1218436920.db2.gz MAROCLHOAKDLJL-BRWVUGGUSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000803564423 1218436927 /nfs/dbraw/zinc/43/69/27/1218436927.db2.gz MAROCLHOAKDLJL-BRWVUGGUSA-N 1 3 366.506 0.202 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831951 1225855605 /nfs/dbraw/zinc/85/56/05/1225855605.db2.gz WDXPHPXMFHTORF-QZTJIDSGSA-N 1 3 368.522 0.640 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001055358869 1219033548 /nfs/dbraw/zinc/03/35/48/1219033548.db2.gz PYNJOAVBDUHFHE-XWTMOSNGSA-N 1 3 364.534 0.975 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001055358869 1219033550 /nfs/dbraw/zinc/03/35/50/1219033550.db2.gz PYNJOAVBDUHFHE-XWTMOSNGSA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000804060030 1219113394 /nfs/dbraw/zinc/11/33/94/1219113394.db2.gz OWPRIEYPKVTPKS-HZPDHXFCSA-N 1 3 366.506 0.204 20 0 FCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804062555 1219118150 /nfs/dbraw/zinc/11/81/50/1219118150.db2.gz ICARZSLAICBOHE-SJORKVTESA-N 1 3 366.506 0.300 20 0 FCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070132760 1219206900 /nfs/dbraw/zinc/20/69/00/1219206900.db2.gz RHUSFRYUSISLNB-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070132760 1219206910 /nfs/dbraw/zinc/20/69/10/1219206910.db2.gz RHUSFRYUSISLNB-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070157813 1219243567 /nfs/dbraw/zinc/24/35/67/1219243567.db2.gz LPAYHGPMZUDSPW-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1)N(C)C ZINC001070157813 1219243577 /nfs/dbraw/zinc/24/35/77/1219243577.db2.gz LPAYHGPMZUDSPW-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001071104234 1219607870 /nfs/dbraw/zinc/60/78/70/1219607870.db2.gz NEGVAWHCEVDYPE-JZXOWHBKSA-N 1 3 366.506 0.332 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCc3cnn(C)c3)CCCO2)CC[N@@H+]1C ZINC001073611271 1219672838 /nfs/dbraw/zinc/67/28/38/1219672838.db2.gz SCHAQCAMZFITCY-KBAYOESNSA-N 1 3 363.506 0.510 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCc3cnn(C)c3)CCCO2)CC[N@H+]1C ZINC001073611271 1219672841 /nfs/dbraw/zinc/67/28/41/1219672841.db2.gz SCHAQCAMZFITCY-KBAYOESNSA-N 1 3 363.506 0.510 20 0 FCADHO CC(C)N(C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001074604837 1219702690 /nfs/dbraw/zinc/70/26/90/1219702690.db2.gz SFWVWSBVRWHDJO-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO CC(C)N(C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001074604837 1219702692 /nfs/dbraw/zinc/70/26/92/1219702692.db2.gz SFWVWSBVRWHDJO-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160854 1219936235 /nfs/dbraw/zinc/93/62/35/1219936235.db2.gz URMSBZVLJREEKQ-AOIWGVFYSA-N 1 3 360.506 0.817 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160854 1219936238 /nfs/dbraw/zinc/93/62/38/1219936238.db2.gz URMSBZVLJREEKQ-AOIWGVFYSA-N 1 3 360.506 0.817 20 0 FCADHO Cn1cnnc1CNC[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001099446074 1219998760 /nfs/dbraw/zinc/99/87/60/1219998760.db2.gz JBJCNOOVTOOGOE-WDYCEAGBSA-N 1 3 360.506 0.874 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001228602085 1225935399 /nfs/dbraw/zinc/93/53/99/1225935399.db2.gz CGTNCSSCSRYKJR-BRWVUGGUSA-N 1 3 368.522 0.498 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@H]3CN(CCNC(=O)C4CC4)C[C@@]3(C)C2)CC1 ZINC001101348638 1220296472 /nfs/dbraw/zinc/29/64/72/1220296472.db2.gz BPXGKRLBNJTOMA-XLIONFOSSA-N 1 3 362.518 0.635 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401296 1220323735 /nfs/dbraw/zinc/32/37/35/1220323735.db2.gz RSSZCKWHOVYUAT-AOIWGVFYSA-N 1 3 363.506 0.366 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401296 1220323739 /nfs/dbraw/zinc/32/37/39/1220323739.db2.gz RSSZCKWHOVYUAT-AOIWGVFYSA-N 1 3 363.506 0.366 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101399961 1220324113 /nfs/dbraw/zinc/32/41/13/1220324113.db2.gz AHDUMSVVHYSDBE-BEFAXECRSA-N 1 3 364.490 0.258 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101399961 1220324117 /nfs/dbraw/zinc/32/41/17/1220324117.db2.gz AHDUMSVVHYSDBE-BEFAXECRSA-N 1 3 364.490 0.258 20 0 FCADHO CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@]2(C)C1 ZINC001101432331 1220341716 /nfs/dbraw/zinc/34/17/16/1220341716.db2.gz MMJGJAUYFYBZJT-KUHUBIRLSA-N 1 3 359.474 0.678 20 0 FCADHO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@]2(C)C1 ZINC001101432331 1220341718 /nfs/dbraw/zinc/34/17/18/1220341718.db2.gz MMJGJAUYFYBZJT-KUHUBIRLSA-N 1 3 359.474 0.678 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013328 1220461933 /nfs/dbraw/zinc/46/19/33/1220461933.db2.gz VRUVYNCBIBZORA-BRWVUGGUSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102013328 1220461936 /nfs/dbraw/zinc/46/19/36/1220461936.db2.gz VRUVYNCBIBZORA-BRWVUGGUSA-N 1 3 370.513 0.973 20 0 FCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048901 1220477018 /nfs/dbraw/zinc/47/70/18/1220477018.db2.gz TZSGZOPPOAFEIZ-SIIHOXLZSA-N 1 3 364.490 0.160 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048901 1220477021 /nfs/dbraw/zinc/47/70/21/1220477021.db2.gz TZSGZOPPOAFEIZ-SIIHOXLZSA-N 1 3 364.490 0.160 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047760 1220477478 /nfs/dbraw/zinc/47/74/78/1220477478.db2.gz RZTNETMJZYQOGW-BJZITVGISA-N 1 3 360.502 0.910 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047760 1220477479 /nfs/dbraw/zinc/47/74/79/1220477479.db2.gz RZTNETMJZYQOGW-BJZITVGISA-N 1 3 360.502 0.910 20 0 FCADHO COc1ccnc(CN2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)c1 ZINC001102511376 1220670158 /nfs/dbraw/zinc/67/01/58/1220670158.db2.gz UVOFEYYIKAORGO-HZPDHXFCSA-N 1 3 364.490 0.853 20 0 FCADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596766 1220718483 /nfs/dbraw/zinc/71/84/83/1220718483.db2.gz XCRWQLIBUVNGFU-BZUAXINKSA-N 1 3 364.490 0.352 20 0 FCADHO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601035 1220723237 /nfs/dbraw/zinc/72/32/37/1220723237.db2.gz HKDQRNCFEFNSQS-IXDOHACOSA-N 1 3 370.538 0.552 20 0 FCADHO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601035 1220723242 /nfs/dbraw/zinc/72/32/42/1220723242.db2.gz HKDQRNCFEFNSQS-IXDOHACOSA-N 1 3 370.538 0.552 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001229231241 1225990755 /nfs/dbraw/zinc/99/07/55/1225990755.db2.gz OIWYNOOLUSAEGG-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001103614173 1220913754 /nfs/dbraw/zinc/91/37/54/1220913754.db2.gz HPPRYPQWRCBWLS-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001103614173 1220913758 /nfs/dbraw/zinc/91/37/58/1220913758.db2.gz HPPRYPQWRCBWLS-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755333 1220965146 /nfs/dbraw/zinc/96/51/46/1220965146.db2.gz CNMSTFBVWMXLJW-SJLPKXTDSA-N 1 3 370.538 0.554 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755333 1220965150 /nfs/dbraw/zinc/96/51/50/1220965150.db2.gz CNMSTFBVWMXLJW-SJLPKXTDSA-N 1 3 370.538 0.554 20 0 FCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1)C1CC1 ZINC001112399322 1221252440 /nfs/dbraw/zinc/25/24/40/1221252440.db2.gz NIUPOYHVGQTKRP-SCTDSRPQSA-N 1 3 360.506 0.837 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001112399235 1221252564 /nfs/dbraw/zinc/25/25/64/1221252564.db2.gz IWBUKIKXSJHYMN-QSFXBCCZSA-N 1 3 362.518 0.824 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CCOCC2)C1 ZINC001230138127 1226057047 /nfs/dbraw/zinc/05/70/47/1226057047.db2.gz GYAVCBMUGBHQRR-DJIMGWMZSA-N 1 3 366.506 0.250 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CCOCC2)C1 ZINC001230138127 1226057053 /nfs/dbraw/zinc/05/70/53/1226057053.db2.gz GYAVCBMUGBHQRR-DJIMGWMZSA-N 1 3 366.506 0.250 20 0 FCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001118571481 1221801797 /nfs/dbraw/zinc/80/17/97/1221801797.db2.gz DMBBYFGARBLQGZ-CVEARBPZSA-N 1 3 362.478 0.576 20 0 FCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001119296124 1221898027 /nfs/dbraw/zinc/89/80/27/1221898027.db2.gz MLVDNFOAQBVKBV-AZUAARDMSA-N 1 3 360.502 0.817 20 0 FCADHO CCN1CC[NH+](CCC(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC001141948685 1222799866 /nfs/dbraw/zinc/79/98/66/1222799866.db2.gz YLTYSHGSFWTVNO-UHFFFAOYSA-N 1 3 368.522 0.012 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841151153 1222810222 /nfs/dbraw/zinc/81/02/22/1222810222.db2.gz HZAOXNZULUHLPJ-INIZCTEOSA-N 1 3 359.474 0.635 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000841232374 1222815491 /nfs/dbraw/zinc/81/54/91/1222815491.db2.gz ZQJCYULMQQDXRD-IYBDPMFKSA-N 1 3 371.485 0.445 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000841233805 1222815589 /nfs/dbraw/zinc/81/55/89/1222815589.db2.gz HTABJCMNLUXYCV-FQEVSTJZSA-N 1 3 373.501 0.964 20 0 FCADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000843363483 1222873707 /nfs/dbraw/zinc/87/37/07/1222873707.db2.gz MGGJMHXGZHKHAK-UHFFFAOYSA-N 1 3 360.458 0.640 20 0 FCADHO Cc1ccc([C@H](C(=O)N(C)C[C@H]2CNCCO2)N2CCC([NH3+])CC2)cc1 ZINC001157720605 1223081001 /nfs/dbraw/zinc/08/10/01/1223081001.db2.gz MKGNONXEBJUMMV-RTBURBONSA-N 1 3 360.502 0.906 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001157720627 1223081078 /nfs/dbraw/zinc/08/10/78/1223081078.db2.gz NBJMZRSNKXFYEU-KRWDZBQOSA-N 1 3 360.458 0.310 20 0 FCADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971865 1223086112 /nfs/dbraw/zinc/08/61/12/1223086112.db2.gz HNMYKRBTONQUFW-JKSUJKDBSA-N 1 3 362.474 0.418 20 0 FCADHO N[C@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001158101619 1223089234 /nfs/dbraw/zinc/08/92/34/1223089234.db2.gz KIQVIUZRMAWEDU-CJNGLKHVSA-N 1 3 370.375 0.786 20 0 FCADHO COc1cccc([C@H](N)CC(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)c1 ZINC001158121472 1223089734 /nfs/dbraw/zinc/08/97/34/1223089734.db2.gz USIMRLMXPHKFAB-DNVCBOLYSA-N 1 3 358.442 0.023 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)Cc1ccc(C)cc1C ZINC001158496562 1223099956 /nfs/dbraw/zinc/09/99/56/1223099956.db2.gz SMQCUFJUOGSGGE-XLAORIBOSA-N 1 3 359.470 0.925 20 0 FCADHO CCOC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)Cc2nn(CC3CC3)cc21 ZINC001158797882 1223109456 /nfs/dbraw/zinc/10/94/56/1223109456.db2.gz CTKRLOFOIBUHSC-DOTOQJQBSA-N 1 3 373.501 0.564 20 0 FCADHO CCOC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2nn(CC3CC3)cc21 ZINC001158797885 1223110135 /nfs/dbraw/zinc/11/01/35/1223110135.db2.gz CTKRLOFOIBUHSC-WBVHZDCISA-N 1 3 373.501 0.564 20 0 FCADHO Cn1ncc2c1CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]2COc1cccnc1 ZINC001158842949 1223111079 /nfs/dbraw/zinc/11/10/79/1223111079.db2.gz PVSABTOGZQXOAX-CZUORRHYSA-N 1 3 358.446 0.386 20 0 FCADHO N[C@H](C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)C1CC[NH2+]CC1 ZINC001158935675 1223113608 /nfs/dbraw/zinc/11/36/08/1223113608.db2.gz YYTUKYNTDXWGFN-NUJGCVRESA-N 1 3 357.458 0.110 20 0 FCADHO Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC3)cn1 ZINC001158991970 1223114420 /nfs/dbraw/zinc/11/44/20/1223114420.db2.gz RXXCPPVEDDFIPI-WBVHZDCISA-N 1 3 361.490 0.612 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135057 1223118376 /nfs/dbraw/zinc/11/83/76/1223118376.db2.gz RCNDRVRAXJIYQT-APWZRJJASA-N 1 3 359.474 0.631 20 0 FCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)Cc2cccc(O)c2)C1 ZINC001159135762 1223118748 /nfs/dbraw/zinc/11/87/48/1223118748.db2.gz ZAQJOCUEIXKEDR-WBVHZDCISA-N 1 3 357.458 0.679 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159227170 1223121264 /nfs/dbraw/zinc/12/12/64/1223121264.db2.gz FBFDDBYFXISCLL-JENIJYKNSA-N 1 3 362.474 0.815 20 0 FCADHO Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159367864 1223125115 /nfs/dbraw/zinc/12/51/15/1223125115.db2.gz LVIOJVNGOCKJQB-NVXWUHKLSA-N 1 3 372.473 0.524 20 0 FCADHO CN(Cc1cccnc1)[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159425115 1223126916 /nfs/dbraw/zinc/12/69/16/1223126916.db2.gz PSOYFPLUYSTWGG-TVFCKZIOSA-N 1 3 361.490 0.338 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159595274 1223130233 /nfs/dbraw/zinc/13/02/33/1223130233.db2.gz RHAJFNQYRKDNSE-GVDBMIGSSA-N 1 3 354.454 0.592 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159697498 1223134488 /nfs/dbraw/zinc/13/44/88/1223134488.db2.gz HRCHFKLDCXFTSK-MWDXBVQZSA-N 1 3 362.474 0.923 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159698324 1223134558 /nfs/dbraw/zinc/13/45/58/1223134558.db2.gz LRKGKLBWLAZXKC-DLBZAZTESA-N 1 3 368.481 0.318 20 0 FCADHO N[C@@H](C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1)C1CC[NH2+]CC1 ZINC001160065275 1223144268 /nfs/dbraw/zinc/14/42/68/1223144268.db2.gz IARNCWSUVRFXIC-GOSISDBHSA-N 1 3 369.473 0.241 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160083738 1223144428 /nfs/dbraw/zinc/14/44/28/1223144428.db2.gz BSLZWANXVBPYMD-BXWFABGCSA-N 1 3 359.474 0.393 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160412276 1223157698 /nfs/dbraw/zinc/15/76/98/1223157698.db2.gz KDSZNHPMGCIUHD-YYIAUSFCSA-N 1 3 365.478 0.114 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(CCc2ccccn2)CC1 ZINC001160484063 1223162677 /nfs/dbraw/zinc/16/26/77/1223162677.db2.gz YAFGRQDQEDVLGI-GOSISDBHSA-N 1 3 357.502 0.643 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(CCc2ccccn2)CC1 ZINC001160484063 1223162680 /nfs/dbraw/zinc/16/26/80/1223162680.db2.gz YAFGRQDQEDVLGI-GOSISDBHSA-N 1 3 357.502 0.643 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC001160556034 1223165014 /nfs/dbraw/zinc/16/50/14/1223165014.db2.gz JZRCMDUDUXOZCW-AWEZNQCLSA-N 1 3 356.426 0.567 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160781996 1223172502 /nfs/dbraw/zinc/17/25/02/1223172502.db2.gz YGWATLVVJYMOQK-HUOQQOJOSA-N 1 3 358.486 0.476 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)C3Cc4ccccc4C3)C[C@H]1C[NH2+]CC2 ZINC001160812047 1223174874 /nfs/dbraw/zinc/17/48/74/1223174874.db2.gz YLTGLJNBTALBSL-LVCYWYKZSA-N 1 3 371.481 0.730 20 0 FCADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160825134 1223175843 /nfs/dbraw/zinc/17/58/43/1223175843.db2.gz VSFVUQHEYFSZPX-UKRRQHHQSA-N 1 3 361.446 0.273 20 0 FCADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160825134 1223175847 /nfs/dbraw/zinc/17/58/47/1223175847.db2.gz VSFVUQHEYFSZPX-UKRRQHHQSA-N 1 3 361.446 0.273 20 0 FCADHO O=C(Cc1ccccc1)N1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160940978 1223181192 /nfs/dbraw/zinc/18/11/92/1223181192.db2.gz PUEUKVMNGVNMMZ-QGZVFWFLSA-N 1 3 356.470 0.099 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160958649 1223181815 /nfs/dbraw/zinc/18/18/15/1223181815.db2.gz CTVBIOHXJRCART-UXOAXIEHSA-N 1 3 357.462 0.320 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160958649 1223181821 /nfs/dbraw/zinc/18/18/21/1223181821.db2.gz CTVBIOHXJRCART-UXOAXIEHSA-N 1 3 357.462 0.320 20 0 FCADHO COC(=O)[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)C[C@@H]1c1ccc(F)cc1 ZINC001161085490 1223184834 /nfs/dbraw/zinc/18/48/34/1223184834.db2.gz ZFTZGNRUTTYYIA-IXDOHACOSA-N 1 3 363.433 0.868 20 0 FCADHO Cc1cccc(N(C(=O)CN2CCCC[C@H](N)C2=O)C2CC[NH2+]CC2)n1 ZINC001161301952 1223194496 /nfs/dbraw/zinc/19/44/96/1223194496.db2.gz CECPZHXWRUEEDI-INIZCTEOSA-N 1 3 359.474 0.815 20 0 FCADHO CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161329143 1223196141 /nfs/dbraw/zinc/19/61/41/1223196141.db2.gz VFZFLHMDJGVVRC-QGZVFWFLSA-N 1 3 356.470 0.559 20 0 FCADHO COc1ccnc(OC2CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2)n1 ZINC001161367594 1223197139 /nfs/dbraw/zinc/19/71/39/1223197139.db2.gz LKZPMZXYYASISB-HNNXBMFYSA-N 1 3 365.478 0.914 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1Cc3ccccc3C1)CC2 ZINC001161480846 1223200771 /nfs/dbraw/zinc/20/07/71/1223200771.db2.gz VMGBPUAVNAWATR-ZWOKBUDYSA-N 1 3 357.454 0.482 20 0 FCADHO Cc1cc(NCCCN2CCN(C)CC2)cnc1C(=O)N1CCOCC1 ZINC001161711479 1223207245 /nfs/dbraw/zinc/20/72/45/1223207245.db2.gz NQVFPHDEQGNXAF-UHFFFAOYSA-N 1 3 361.490 0.912 20 0 FCADHO CN1CCC(NC(=O)c2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)nn2)CC1 ZINC001163167910 1223227871 /nfs/dbraw/zinc/22/78/71/1223227871.db2.gz RIFXTQRCDMCNQV-UNEWFSDZSA-N 1 3 374.489 0.337 20 0 FCADHO C[NH+](C)CCN1CCC2(CN(C(=O)c3cnn(-c4ccncc4)c3)C2)C1 ZINC001276566349 1223523063 /nfs/dbraw/zinc/52/30/63/1223523063.db2.gz OJNAIWDEBYPNIT-UHFFFAOYSA-N 1 3 354.458 0.977 20 0 FCADHO CN(C)CC[N@@H+]1CCC2(CN(C(=O)c3cnn(-c4ccncc4)c3)C2)C1 ZINC001276566349 1223523066 /nfs/dbraw/zinc/52/30/66/1223523066.db2.gz OJNAIWDEBYPNIT-UHFFFAOYSA-N 1 3 354.458 0.977 20 0 FCADHO CN(C)CC[N@H+]1CCC2(CN(C(=O)c3cnn(-c4ccncc4)c3)C2)C1 ZINC001276566349 1223523069 /nfs/dbraw/zinc/52/30/69/1223523069.db2.gz OJNAIWDEBYPNIT-UHFFFAOYSA-N 1 3 354.458 0.977 20 0 FCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(C[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612184 1223564154 /nfs/dbraw/zinc/56/41/54/1223564154.db2.gz GJHHAKTZHWLIOK-RBUKOAKNSA-N 1 3 360.550 0.904 20 0 FCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(C[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612184 1223564158 /nfs/dbraw/zinc/56/41/58/1223564158.db2.gz GJHHAKTZHWLIOK-RBUKOAKNSA-N 1 3 360.550 0.904 20 0 FCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952871 1223587310 /nfs/dbraw/zinc/58/73/10/1223587310.db2.gz WCCWCVAAZUNYKJ-FPOVZHCZSA-N 1 3 370.497 0.931 20 0 FCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC001208952871 1223587313 /nfs/dbraw/zinc/58/73/13/1223587313.db2.gz WCCWCVAAZUNYKJ-FPOVZHCZSA-N 1 3 370.497 0.931 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667836 1223647848 /nfs/dbraw/zinc/64/78/48/1223647848.db2.gz LOSIKYICZKLUAD-LJQANCHMSA-N 1 3 370.513 0.677 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@@H+](CCCCF)C3)OCC2=O)CC1 ZINC001276667836 1223647854 /nfs/dbraw/zinc/64/78/54/1223647854.db2.gz LOSIKYICZKLUAD-LJQANCHMSA-N 1 3 370.513 0.677 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001214336123 1223902293 /nfs/dbraw/zinc/90/22/93/1223902293.db2.gz UWHKXIGNFIDJCW-MCIONIFRSA-N 1 3 367.494 0.141 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597731 1223924838 /nfs/dbraw/zinc/92/48/38/1223924838.db2.gz OIGRYTREZAPUMW-ZACQAIPSSA-N 1 3 368.522 0.448 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597731 1223924842 /nfs/dbraw/zinc/92/48/42/1223924842.db2.gz OIGRYTREZAPUMW-ZACQAIPSSA-N 1 3 368.522 0.448 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597523 1223924995 /nfs/dbraw/zinc/92/49/95/1223924995.db2.gz LGSTZNGXFSSCJD-KFWWJZLASA-N 1 3 367.494 0.141 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597523 1223924997 /nfs/dbraw/zinc/92/49/97/1223924997.db2.gz LGSTZNGXFSSCJD-KFWWJZLASA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214855711 1223948388 /nfs/dbraw/zinc/94/83/88/1223948388.db2.gz LRBJZAZTZIJRCO-QBIMZIAESA-N 1 3 366.506 0.058 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001215001328 1223962656 /nfs/dbraw/zinc/96/26/56/1223962656.db2.gz DJIDSXRYFAJONI-GDBMZVCRSA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001215001328 1223962660 /nfs/dbraw/zinc/96/26/60/1223962660.db2.gz DJIDSXRYFAJONI-GDBMZVCRSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215184607 1223980734 /nfs/dbraw/zinc/98/07/34/1223980734.db2.gz LARHDUZYSNWXAJ-LGFHUAIBSA-N 1 3 363.502 0.713 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215299101 1223991230 /nfs/dbraw/zinc/99/12/30/1223991230.db2.gz XFXVEILSMXTHQG-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)C1 ZINC001215380871 1223994853 /nfs/dbraw/zinc/99/48/53/1223994853.db2.gz DWQWUNXMOLUJFS-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)C1 ZINC001215380871 1223994858 /nfs/dbraw/zinc/99/48/58/1223994858.db2.gz DWQWUNXMOLUJFS-QLFBSQMISA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC001215415726 1223998334 /nfs/dbraw/zinc/99/83/34/1223998334.db2.gz JUGAZRZWJAWPOM-HYVNUMGLSA-N 1 3 362.518 0.918 20 0 FCADHO CC(C)CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423280 1223998982 /nfs/dbraw/zinc/99/89/82/1223998982.db2.gz FOEMVPQJBAOONM-HUUCEWRRSA-N 1 3 369.510 0.247 20 0 FCADHO CCCn1nccc1NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215462914 1224000488 /nfs/dbraw/zinc/00/04/88/1224000488.db2.gz AUCJWPJPIAGMEB-HUUCEWRRSA-N 1 3 364.494 0.620 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568370 1224006677 /nfs/dbraw/zinc/00/66/77/1224006677.db2.gz NOPNOGCVFQLYJS-HZSPNIEDSA-N 1 3 369.510 0.245 20 0 FCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099535 1224034075 /nfs/dbraw/zinc/03/40/75/1224034075.db2.gz SQVMKCVMQMFESI-NVXWUHKLSA-N 1 3 368.522 0.306 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216844822 1224078651 /nfs/dbraw/zinc/07/86/51/1224078651.db2.gz KPENJXMXOVHJEK-BRWVUGGUSA-N 1 3 368.522 0.450 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216845032 1224078683 /nfs/dbraw/zinc/07/86/83/1224078683.db2.gz URKOJPHXZORWHO-NXHRZFHOSA-N 1 3 368.522 0.450 20 0 FCADHO CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216854277 1224079017 /nfs/dbraw/zinc/07/90/17/1224079017.db2.gz XEJKBAXUTJNTCR-HUUCEWRRSA-N 1 3 369.510 0.389 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891480247 1245451307 /nfs/dbraw/zinc/45/13/07/1245451307.db2.gz ADNJKCABIQHWDW-YVSFHVDLSA-N 1 3 365.522 0.759 20 0 FCADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000923321512 1245709816 /nfs/dbraw/zinc/70/98/16/1245709816.db2.gz GPZAMPSBWJEWKM-QZTJIDSGSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000923321512 1245709824 /nfs/dbraw/zinc/70/98/24/1245709824.db2.gz GPZAMPSBWJEWKM-QZTJIDSGSA-N 1 3 366.506 0.792 20 0 FCADHO CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366860 1245713399 /nfs/dbraw/zinc/71/33/99/1245713399.db2.gz PLPMKRFITBULOU-MSOLQXFVSA-N 1 3 362.474 0.364 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000943590977 1247361243 /nfs/dbraw/zinc/36/12/43/1247361243.db2.gz AQUHXHVSJZNASV-USXIJHARSA-N 1 3 366.506 0.155 20 0 FCADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943590977 1247361250 /nfs/dbraw/zinc/36/12/50/1247361250.db2.gz AQUHXHVSJZNASV-USXIJHARSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCN2C)CC3)CC[N@@H+]1C ZINC000944884457 1247675272 /nfs/dbraw/zinc/67/52/72/1247675272.db2.gz PHAKUMFAPHRVDD-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCN2C)CC3)CC[N@H+]1C ZINC000944884457 1247675282 /nfs/dbraw/zinc/67/52/82/1247675282.db2.gz PHAKUMFAPHRVDD-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COCc2ccccc21 ZINC001327820996 1265435005 /nfs/dbraw/zinc/43/50/05/1265435005.db2.gz RJIDMTDWXRKDJC-QGZVFWFLSA-N 1 3 362.474 0.326 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976601915 1248281769 /nfs/dbraw/zinc/28/17/69/1248281769.db2.gz YVJSCRSBDCQCJX-OBRKIGFESA-N 1 3 362.518 0.774 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976601915 1248281777 /nfs/dbraw/zinc/28/17/77/1248281777.db2.gz YVJSCRSBDCQCJX-OBRKIGFESA-N 1 3 362.518 0.774 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000994315903 1250367428 /nfs/dbraw/zinc/36/74/28/1250367428.db2.gz SBXFAMGEARDJNY-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)CCC1 ZINC000998656488 1251942296 /nfs/dbraw/zinc/94/22/96/1251942296.db2.gz RDOCIXQTMLOLBR-PMPSAXMXSA-N 1 3 360.502 0.815 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003745297 1253087881 /nfs/dbraw/zinc/08/78/81/1253087881.db2.gz IAHADERASOILJJ-DDBAPUKQSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN[C@@H]3CCN(C)C3=O)cc2)CC[N@@H+]1C ZINC001034818365 1254008249 /nfs/dbraw/zinc/00/82/49/1254008249.db2.gz GBBUGVPETXLWFU-ZTFGCOKTSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN[C@@H]3CCN(C)C3=O)cc2)CC[N@H+]1C ZINC001034818365 1254008259 /nfs/dbraw/zinc/00/82/59/1254008259.db2.gz GBBUGVPETXLWFU-ZTFGCOKTSA-N 1 3 358.486 0.963 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001065213033 1254496032 /nfs/dbraw/zinc/49/60/32/1254496032.db2.gz ZWUUPWCBVNDOAL-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001065213033 1254496038 /nfs/dbraw/zinc/49/60/38/1254496038.db2.gz ZWUUPWCBVNDOAL-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680365 1254867103 /nfs/dbraw/zinc/86/71/03/1254867103.db2.gz CDHMFFLOEKLYGB-MDZRGWNJSA-N 1 3 371.497 0.787 20 0 FCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077680365 1254867108 /nfs/dbraw/zinc/86/71/08/1254867108.db2.gz CDHMFFLOEKLYGB-MDZRGWNJSA-N 1 3 371.497 0.787 20 0 FCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707710 1255581928 /nfs/dbraw/zinc/58/19/28/1255581928.db2.gz RGZMNKCLKCPQKT-KBAYOESNSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255447 1255808122 /nfs/dbraw/zinc/80/81/22/1255808122.db2.gz YEUIWRBUVIMGPX-IXDOHACOSA-N 1 3 363.506 0.555 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255447 1255808134 /nfs/dbraw/zinc/80/81/34/1255808134.db2.gz YEUIWRBUVIMGPX-IXDOHACOSA-N 1 3 363.506 0.555 20 0 FCADHO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001080325220 1255843029 /nfs/dbraw/zinc/84/30/29/1255843029.db2.gz WOKNAQCCYQCGDF-OLMNPRSZSA-N 1 3 363.506 0.774 20 0 FCADHO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001080325220 1255843043 /nfs/dbraw/zinc/84/30/43/1255843043.db2.gz WOKNAQCCYQCGDF-OLMNPRSZSA-N 1 3 363.506 0.774 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1)C(N)=O ZINC001081173948 1256200599 /nfs/dbraw/zinc/20/05/99/1256200599.db2.gz WRHBGSGEESRNSN-JCGIZDLHSA-N 1 3 358.486 0.786 20 0 FCADHO CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001082057767 1256513840 /nfs/dbraw/zinc/51/38/40/1256513840.db2.gz CKKFFFKTKBVCRH-KURKYZTESA-N 1 3 369.506 0.480 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001082057767 1256513842 /nfs/dbraw/zinc/51/38/42/1256513842.db2.gz CKKFFFKTKBVCRH-KURKYZTESA-N 1 3 369.506 0.480 20 0 FCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1OC ZINC001082385030 1256736800 /nfs/dbraw/zinc/73/68/00/1256736800.db2.gz UWNPJKQUYGEDJZ-FGTMMUONSA-N 1 3 363.506 0.652 20 0 FCADHO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1OC ZINC001082385030 1256736806 /nfs/dbraw/zinc/73/68/06/1256736806.db2.gz UWNPJKQUYGEDJZ-FGTMMUONSA-N 1 3 363.506 0.652 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082448487 1256765810 /nfs/dbraw/zinc/76/58/10/1256765810.db2.gz SAYOYZRCTLQSTN-BPLDGKMQSA-N 1 3 358.446 0.053 20 0 FCADHO Cc1ncc(CN[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)cn1 ZINC001082517777 1256800642 /nfs/dbraw/zinc/80/06/42/1256800642.db2.gz DWPZHWPJCYLXNF-RDTXWAMCSA-N 1 3 371.489 0.793 20 0 FCADHO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1C ZINC001082702740 1256995486 /nfs/dbraw/zinc/99/54/86/1256995486.db2.gz FXFLQAYKQDZYML-ZACQAIPSSA-N 1 3 363.506 0.949 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082719681 1257010737 /nfs/dbraw/zinc/01/07/37/1257010737.db2.gz CFIJKPTWOJAXRH-BFYDXBDKSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@H]1CCN(C(C)(C)C)C1=O ZINC001082863470 1257113628 /nfs/dbraw/zinc/11/36/28/1257113628.db2.gz DPDWUOBSLCGKKJ-OWCLPIDISA-N 1 3 362.518 0.918 20 0 FCADHO CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c1 ZINC001082920794 1257145693 /nfs/dbraw/zinc/14/56/93/1257145693.db2.gz FBOUYIFUZBSJSJ-ZTFGCOKTSA-N 1 3 358.486 0.934 20 0 FCADHO CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001082920794 1257145695 /nfs/dbraw/zinc/14/56/95/1257145695.db2.gz FBOUYIFUZBSJSJ-ZTFGCOKTSA-N 1 3 358.486 0.934 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082943323 1257160664 /nfs/dbraw/zinc/16/06/64/1257160664.db2.gz DOLUEKWFOCFTFU-OAGGEKHMSA-N 1 3 364.490 0.446 20 0 FCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777572 1257517275 /nfs/dbraw/zinc/51/72/75/1257517275.db2.gz CDHMFFLOEKLYGB-GJYPPUQNSA-N 1 3 371.497 0.787 20 0 FCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083777572 1257517279 /nfs/dbraw/zinc/51/72/79/1257517279.db2.gz CDHMFFLOEKLYGB-GJYPPUQNSA-N 1 3 371.497 0.787 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001331113408 1266149106 /nfs/dbraw/zinc/14/91/06/1266149106.db2.gz SPLGGDHZGGRHCA-FGTMMUONSA-N 1 3 358.486 0.806 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001331134541 1266155145 /nfs/dbraw/zinc/15/51/45/1266155145.db2.gz PZNLBIMSGLOTSS-ROUUACIJSA-N 1 3 358.486 0.808 20 0 FCADHO Cn1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1=O ZINC001084349601 1258043560 /nfs/dbraw/zinc/04/35/60/1258043560.db2.gz SMEBWBMQYUYJDG-CEXWTWQISA-N 1 3 370.497 0.760 20 0 FCADHO O=C(N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084777901 1258321072 /nfs/dbraw/zinc/32/10/72/1258321072.db2.gz VQRRQYMLYHHTHA-IAGOWNOFSA-N 1 3 360.502 0.627 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032397 1258534971 /nfs/dbraw/zinc/53/49/71/1258534971.db2.gz FBHNAIICVFPQCE-BBWFWOEESA-N 1 3 363.506 0.419 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085032397 1258534975 /nfs/dbraw/zinc/53/49/75/1258534975.db2.gz FBHNAIICVFPQCE-BBWFWOEESA-N 1 3 363.506 0.419 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075201 1258569639 /nfs/dbraw/zinc/56/96/39/1258569639.db2.gz VDKOUWBANKBQHP-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085075201 1258569647 /nfs/dbraw/zinc/56/96/47/1258569647.db2.gz VDKOUWBANKBQHP-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCC[C@@H](N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172184 1258692737 /nfs/dbraw/zinc/69/27/37/1258692737.db2.gz ZCBYMXHZAWUXJL-IXDOHACOSA-N 1 3 360.502 0.483 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)cc2)CC1 ZINC001331415181 1266212410 /nfs/dbraw/zinc/21/24/10/1266212410.db2.gz FXOCPYQNCDBULL-OAHLLOKOSA-N 1 3 361.490 0.881 20 0 FCADHO Cc1cc(NC(=O)CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001100343903 1258908822 /nfs/dbraw/zinc/90/88/22/1258908822.db2.gz YUVCIBWABCYTBI-XSCHDIRWSA-N 1 3 363.462 0.746 20 0 FCADHO Cc1cc(NC(=O)CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001100343903 1258908830 /nfs/dbraw/zinc/90/88/30/1258908830.db2.gz YUVCIBWABCYTBI-XSCHDIRWSA-N 1 3 363.462 0.746 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637439 1258920516 /nfs/dbraw/zinc/92/05/16/1258920516.db2.gz PQQIUYAQJZKLTD-IZBJGVDFSA-N 1 3 367.534 0.819 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106665366 1258937120 /nfs/dbraw/zinc/93/71/20/1258937120.db2.gz UIJOFWLOHPSEJF-QLFBSQMISA-N 1 3 363.462 0.782 20 0 FCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665236 1258937317 /nfs/dbraw/zinc/93/73/17/1258937317.db2.gz NCEZYRQNOBMOOB-BRWVUGGUSA-N 1 3 367.538 0.862 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666460 1258937338 /nfs/dbraw/zinc/93/73/38/1258937338.db2.gz LJLYBWLNTCCSPJ-LZLYRXPVSA-N 1 3 368.522 0.165 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106673447 1258938929 /nfs/dbraw/zinc/93/89/29/1258938929.db2.gz ZDRWXYJOHNOUGU-KFWWJZLASA-N 1 3 366.506 0.454 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCn2cncn2)CC3)C1 ZINC001107550190 1259114255 /nfs/dbraw/zinc/11/42/55/1259114255.db2.gz PGQKVJGQKRWWQA-ZHALLVOQSA-N 1 3 360.506 0.981 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCn2cncn2)CC3)C1 ZINC001107550190 1259114258 /nfs/dbraw/zinc/11/42/58/1259114258.db2.gz PGQKVJGQKRWWQA-ZHALLVOQSA-N 1 3 360.506 0.981 20 0 FCADHO COc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001127643703 1259183301 /nfs/dbraw/zinc/18/33/01/1259183301.db2.gz HLYKHFDWPUCGIZ-RHSMWYFYSA-N 1 3 362.474 0.357 20 0 FCADHO COc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001127643703 1259183307 /nfs/dbraw/zinc/18/33/07/1259183307.db2.gz HLYKHFDWPUCGIZ-RHSMWYFYSA-N 1 3 362.474 0.357 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)Cc2ccc(C)o2)CC[N@@H+]1C ZINC001127705729 1259184257 /nfs/dbraw/zinc/18/42/57/1259184257.db2.gz DGLRJDQGQUZMJX-DLBZAZTESA-N 1 3 364.490 0.983 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)Cc2ccc(C)o2)CC[N@H+]1C ZINC001127705729 1259184269 /nfs/dbraw/zinc/18/42/69/1259184269.db2.gz DGLRJDQGQUZMJX-DLBZAZTESA-N 1 3 364.490 0.983 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129228310 1259348722 /nfs/dbraw/zinc/34/87/22/1259348722.db2.gz NATDXCUDBOVWCY-IXDOHACOSA-N 1 3 364.494 0.386 20 0 FCADHO CN1CCC([N@@H+]2CC[C@H](NCc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC001200345587 1259415468 /nfs/dbraw/zinc/41/54/68/1259415468.db2.gz IIWYTTUBWPMBCH-KRWDZBQOSA-N 1 3 355.490 0.980 20 0 FCADHO CN1CCC([N@H+]2CC[C@H](NCc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC001200345587 1259415469 /nfs/dbraw/zinc/41/54/69/1259415469.db2.gz IIWYTTUBWPMBCH-KRWDZBQOSA-N 1 3 355.490 0.980 20 0 FCADHO CN1CC[C@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2ccccc2)C1=O ZINC001211669058 1259426134 /nfs/dbraw/zinc/42/61/34/1259426134.db2.gz HCNFKUJGCGGSBA-OKZBNKHCSA-N 1 3 358.486 0.753 20 0 FCADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206130 1259569827 /nfs/dbraw/zinc/56/98/27/1259569827.db2.gz RSBWRKHQISQVDF-LSDHHAIUSA-N 1 3 371.476 0.951 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cnc(OC)c(OC)c3)C[C@H]1C2 ZINC001236023439 1259585946 /nfs/dbraw/zinc/58/59/46/1259585946.db2.gz QCKGNICIGMXKGP-GJRWTSMGSA-N 1 3 361.442 0.929 20 0 FCADHO CCN1CCN(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384213 1259636980 /nfs/dbraw/zinc/63/69/80/1259636980.db2.gz LKNCIDHJTQBCLM-QGZVFWFLSA-N 1 3 355.504 0.351 20 0 FCADHO CCOC[C@@H](O)CN1CCC([NH+]2CCC(N3CCN(C)CC3)CC2)CC1 ZINC001252031798 1259775857 /nfs/dbraw/zinc/77/58/57/1259775857.db2.gz FCFHVTDQZZARLW-FQEVSTJZSA-N 1 3 368.566 0.560 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001335718489 1259803240 /nfs/dbraw/zinc/80/32/40/1259803240.db2.gz ZSSIOJFSYSSNAB-INIZCTEOSA-N 1 3 353.511 0.714 20 0 FCADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCN(C(C)C)CC2)C[C@H]1C(=O)OC ZINC001257721401 1260026335 /nfs/dbraw/zinc/02/63/35/1260026335.db2.gz UXPNTQOVTAYRLI-GVDBMIGSSA-N 1 3 369.506 0.733 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024554 1260288812 /nfs/dbraw/zinc/28/88/12/1260288812.db2.gz UFRLTRMTSLRWTC-STQMWFEESA-N 1 3 351.417 0.606 20 0 FCADHO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC001262567324 1260328593 /nfs/dbraw/zinc/32/85/93/1260328593.db2.gz PJICEXJLSIJUKF-INIZCTEOSA-N 1 3 366.458 0.649 20 0 FCADHO C[C@H]1Cn2nc(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)cc2CN1 ZINC001263098006 1260340534 /nfs/dbraw/zinc/34/05/34/1260340534.db2.gz PHBQICJFXQUWCL-AWEZNQCLSA-N 1 3 360.506 0.663 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650326 1260443406 /nfs/dbraw/zinc/44/34/06/1260443406.db2.gz FEJNYIVBPVOIRI-APWZRJJASA-N 1 3 366.506 0.110 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650326 1260443412 /nfs/dbraw/zinc/44/34/12/1260443412.db2.gz FEJNYIVBPVOIRI-APWZRJJASA-N 1 3 366.506 0.110 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650328 1260443891 /nfs/dbraw/zinc/44/38/91/1260443891.db2.gz FEJNYIVBPVOIRI-LPHOPBHVSA-N 1 3 366.506 0.110 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001271650328 1260443898 /nfs/dbraw/zinc/44/38/98/1260443898.db2.gz FEJNYIVBPVOIRI-LPHOPBHVSA-N 1 3 366.506 0.110 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc(Cl)n1 ZINC001337939401 1260521164 /nfs/dbraw/zinc/52/11/64/1260521164.db2.gz BDQWPRJRZSQGFK-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3CCN3C3CCCCC3)C[C@@H]21 ZINC001273141770 1260606557 /nfs/dbraw/zinc/60/65/57/1260606557.db2.gz SWVKENURBNLUGQ-FHWLQOOXSA-N 1 3 364.534 0.867 20 0 FCADHO CN(C)C(=O)CN1C[C@@H]2C(=O)NC3(CC[NH+](CC4CCCC4)CC3)[C@H]2C1 ZINC001278451852 1260693314 /nfs/dbraw/zinc/69/33/14/1260693314.db2.gz MXPBVFDWXHQRSL-IRXDYDNUSA-N 1 3 362.518 0.777 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501293 1260881029 /nfs/dbraw/zinc/88/10/29/1260881029.db2.gz DWNSKUKCJOOBMG-YESZJQIVSA-N 1 3 359.474 0.118 20 0 FCADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3CN(C(=O)Cn4cccnc4=O)C[C@H]32)C1 ZINC001279501293 1260881036 /nfs/dbraw/zinc/88/10/36/1260881036.db2.gz DWNSKUKCJOOBMG-YESZJQIVSA-N 1 3 359.474 0.118 20 0 FCADHO COC(=O)CCCN1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001279883125 1260950445 /nfs/dbraw/zinc/95/04/45/1260950445.db2.gz BTUQIOWRHLWAKA-OIISXLGYSA-N 1 3 367.490 0.629 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C23CC(NCc4cncnc4)(C2)C3)cn1 ZINC001279972813 1260977698 /nfs/dbraw/zinc/97/76/98/1260977698.db2.gz VAMHYOLLKIBZSZ-UHFFFAOYSA-N 1 3 355.446 0.886 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(CC(=O)N3CCN(C)CC3)C2)C1 ZINC001280073295 1260990949 /nfs/dbraw/zinc/99/09/49/1260990949.db2.gz AKGHDNALLHPJNG-HXUWFJFHSA-N 1 3 365.566 0.500 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(CC(=O)N3CCN(C)CC3)C2)C1 ZINC001280073295 1260990955 /nfs/dbraw/zinc/99/09/55/1260990955.db2.gz AKGHDNALLHPJNG-HXUWFJFHSA-N 1 3 365.566 0.500 20 0 FCADHO COCCC[NH+]1CCC(N2CCC(C(=O)NCC(=O)N(C)C)CC2)CC1 ZINC001280098716 1261002765 /nfs/dbraw/zinc/00/27/65/1261002765.db2.gz RZDYPXHIBQUBEM-UHFFFAOYSA-N 1 3 368.522 0.404 20 0 FCADHO C[NH+]1CCC(CCN2CC3(C[C@@H]3C(=O)N3CCn4cnnc4C3)C2)CC1 ZINC001280140366 1261014213 /nfs/dbraw/zinc/01/42/13/1261014213.db2.gz JKGMOXDVFCWUEN-MRXNPFEDSA-N 1 3 358.490 0.674 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2CN(C[C@H]3CCCOC3)C[C@H]12 ZINC001280139251 1261014312 /nfs/dbraw/zinc/01/43/12/1261014312.db2.gz FPJPGSLUZZDSRZ-IXDOHACOSA-N 1 3 366.506 0.900 20 0 FCADHO C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)N1CCCCCC1 ZINC001281710971 1261167230 /nfs/dbraw/zinc/16/72/30/1261167230.db2.gz YPLGOEMRJYSJCX-BRWVUGGUSA-N 1 3 368.522 0.281 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC)N(C)C ZINC001281862933 1261241335 /nfs/dbraw/zinc/24/13/35/1261241335.db2.gz MRZOYHXBXWNXNC-IXDOHACOSA-N 1 3 368.522 0.545 20 0 FCADHO CCOC(=O)c1cc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)[nH]n1 ZINC001332436021 1266403682 /nfs/dbraw/zinc/40/36/82/1266403682.db2.gz LQRANLMMZPBPOH-UHFFFAOYSA-N 1 3 365.478 0.473 20 0 FCADHO [NH3+]CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001580316675 1278118104 /nfs/dbraw/zinc/11/81/04/1278118104.db2.gz CZXMRNKZHLBDOC-OAHLLOKOSA-N 1 3 357.462 0.457 20 0 FCADHO CC(=O)N[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001477686877 1263099463 /nfs/dbraw/zinc/09/94/63/1263099463.db2.gz ABCRKMBKMFPOTC-MRXNPFEDSA-N 1 3 351.495 0.465 20 0 FCADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)[NH+](C)C ZINC001304849594 1263152136 /nfs/dbraw/zinc/15/21/36/1263152136.db2.gz DSRNCRMCTGGAPP-HOCLYGCPSA-N 1 3 363.510 0.279 20 0 FCADHO Cn1ncc(CCCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC001311778679 1263264269 /nfs/dbraw/zinc/26/42/69/1263264269.db2.gz YEVIHMSVMAQSCM-UHFFFAOYSA-N 1 3 363.510 0.606 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)CC[N@@H+]1C ZINC001580387954 1278208534 /nfs/dbraw/zinc/20/85/34/1278208534.db2.gz IYXLJCVSDBOFGO-UKRRQHHQSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)CC[N@H+]1C ZINC001580387954 1278208540 /nfs/dbraw/zinc/20/85/40/1278208540.db2.gz IYXLJCVSDBOFGO-UKRRQHHQSA-N 1 3 369.473 0.945 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(CN[C@H]2CCC[C@@H]2C(=O)NC)COC1 ZINC001321806572 1264068552 /nfs/dbraw/zinc/06/85/52/1264068552.db2.gz QXYMGMPKWPSABA-FZKCQIBNSA-N 1 3 366.506 0.012 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@@H]1NCC1(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)COC1 ZINC001321806572 1264068563 /nfs/dbraw/zinc/06/85/63/1264068563.db2.gz QXYMGMPKWPSABA-FZKCQIBNSA-N 1 3 366.506 0.012 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2CCOC2)CC1 ZINC001324937984 1264739136 /nfs/dbraw/zinc/73/91/36/1264739136.db2.gz OCFRDZSZQWHOBD-KRWDZBQOSA-N 1 3 368.522 0.213 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1)N(C)C ZINC001513387166 1265082946 /nfs/dbraw/zinc/08/29/46/1265082946.db2.gz YHGXHECHKHQWFK-BRWVUGGUSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C(=O)c1cn(CCC[NH3+])nn1)C1CCN(CCc2ccccn2)CC1 ZINC001326409068 1265109169 /nfs/dbraw/zinc/10/91/69/1265109169.db2.gz SICHYCYTOGVWHZ-UHFFFAOYSA-N 1 3 371.489 0.801 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](NC(N)=O)C(C)(C)C)CC2)CC1 ZINC001542526470 1267498050 /nfs/dbraw/zinc/49/80/50/1267498050.db2.gz PJSKEULLUZDTFJ-HNNXBMFYSA-N 1 3 353.511 0.744 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937103 1267774095 /nfs/dbraw/zinc/77/40/95/1267774095.db2.gz FDHCOWXTCYVICR-TZMCWYRMSA-N 1 3 358.450 0.404 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)C2)nn1 ZINC001549047567 1267795165 /nfs/dbraw/zinc/79/51/65/1267795165.db2.gz SYRDSQQKWRZACW-LSDHHAIUSA-N 1 3 358.450 0.335 20 0 FCADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549739293 1267985055 /nfs/dbraw/zinc/98/50/55/1267985055.db2.gz OWBONCLDJUTHOU-ABSDTBQOSA-N 1 3 356.470 0.984 20 0 FCADHO O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)c1cc2c(s1)CCNC2 ZINC001549742503 1267985561 /nfs/dbraw/zinc/98/55/61/1267985561.db2.gz VINIZLSVIILYAT-CXAGYDPISA-N 1 3 362.499 0.770 20 0 FCADHO CCN1CCN(CCC(=O)N2C[C@H]([NH3+])[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113306 1268075931 /nfs/dbraw/zinc/07/59/31/1268075931.db2.gz QVRDEXJDXXGSKH-OALUTQOASA-N 1 3 360.502 0.976 20 0 FCADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204833 1268092003 /nfs/dbraw/zinc/09/20/03/1268092003.db2.gz SUOHPZPMGOBDSF-JKSUJKDBSA-N 1 3 350.507 0.953 20 0 FCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@H]21 ZINC001550745789 1268160579 /nfs/dbraw/zinc/16/05/79/1268160579.db2.gz UKSMAAIMJOBTIL-RHQZKXFESA-N 1 3 358.486 0.839 20 0 FCADHO O=C1CC[C@H](NCc2cc(=O)n3ccccc3n2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914490 1268183926 /nfs/dbraw/zinc/18/39/26/1268183926.db2.gz YCACNNBVWQKPOW-HNAYVOBHSA-N 1 3 355.442 0.431 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC001550914803 1268184384 /nfs/dbraw/zinc/18/43/84/1268184384.db2.gz ZQWHAALTBRSTIS-QFBILLFUSA-N 1 3 362.449 0.678 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001551496154 1268262567 /nfs/dbraw/zinc/26/25/67/1268262567.db2.gz RBLNJAOXMUEVEB-RCCFBDPRSA-N 1 3 371.485 0.559 20 0 FCADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3C[C@H]3C3CC[NH2+]CC3)c2)nn1 ZINC001552275497 1268430766 /nfs/dbraw/zinc/43/07/66/1268430766.db2.gz PLAQSSQJVOXDLI-ROUUACIJSA-N 1 3 354.458 0.978 20 0 FCADHO CO[C@@H]1CCN([C@@H]2CCC[C@H]2NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C1 ZINC001552848889 1268559576 /nfs/dbraw/zinc/55/95/76/1268559576.db2.gz OJTICCMYBVNTKM-KLHDSHLOSA-N 1 3 362.478 0.493 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996638 1268574428 /nfs/dbraw/zinc/57/44/28/1268574428.db2.gz JSHFJGCFYRCCNT-OREBXVKISA-N 1 3 368.522 0.486 20 0 FCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)C1 ZINC001552996638 1268574435 /nfs/dbraw/zinc/57/44/35/1268574435.db2.gz JSHFJGCFYRCCNT-OREBXVKISA-N 1 3 368.522 0.486 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553405046 1268645048 /nfs/dbraw/zinc/64/50/48/1268645048.db2.gz CVAPQVPJHCWVRT-CEXWTWQISA-N 1 3 358.486 0.570 20 0 FCADHO [NH3+]C[C@@H]1[C@H]2CN(C(=O)NCc3ccccc3CN3CCC(O)CC3)C[C@H]21 ZINC001553462040 1268655445 /nfs/dbraw/zinc/65/54/45/1268655445.db2.gz ZYCPTXPVPIICRK-LDLYASANSA-N 1 3 358.486 0.989 20 0 FCADHO CC1(C)C[NH2+][C@@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001553556637 1268669332 /nfs/dbraw/zinc/66/93/32/1268669332.db2.gz XGDNZZHQRFTDFH-OAHLLOKOSA-N 1 3 365.522 0.890 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1O ZINC001341663935 1269139378 /nfs/dbraw/zinc/13/93/78/1269139378.db2.gz JLJFNZPISFSVGZ-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1O ZINC001341663935 1269139383 /nfs/dbraw/zinc/13/93/83/1269139383.db2.gz JLJFNZPISFSVGZ-BRWVUGGUSA-N 1 3 368.522 0.279 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C1)[NH+](C)C ZINC001343740743 1269996408 /nfs/dbraw/zinc/99/64/08/1269996408.db2.gz QPAYZBQXPKIJCO-VYDXJSESSA-N 1 3 370.538 0.238 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001572828455 1270208265 /nfs/dbraw/zinc/20/82/65/1270208265.db2.gz GIFZFVBNPTWAHV-IXDOHACOSA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001572828455 1270208268 /nfs/dbraw/zinc/20/82/68/1270208268.db2.gz GIFZFVBNPTWAHV-IXDOHACOSA-N 1 3 366.506 0.033 20 0 FCADHO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580617773 1278571733 /nfs/dbraw/zinc/57/17/33/1278571733.db2.gz KAFHGYPWZQLEAD-BZUAXINKSA-N 1 3 353.463 0.877 20 0 FCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574853794 1271603745 /nfs/dbraw/zinc/60/37/45/1271603745.db2.gz SVVHYRBWNCLVIX-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574854136 1271605151 /nfs/dbraw/zinc/60/51/51/1271605151.db2.gz ISDPLDJSGNXLMZ-GFCCVEGCSA-N 1 3 373.436 0.696 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC3(CCC[C@H]3C[NH3+])CC2)CC1 ZINC001574986952 1271688890 /nfs/dbraw/zinc/68/88/90/1271688890.db2.gz HZVKXOGCCFBAQL-INIZCTEOSA-N 1 3 350.507 0.955 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCC3(CCC[C@@H]3C[NH3+])CC2)CC1 ZINC001574986953 1271689286 /nfs/dbraw/zinc/68/92/86/1271689286.db2.gz HZVKXOGCCFBAQL-MRXNPFEDSA-N 1 3 350.507 0.955 20 0 FCADHO C[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001575403514 1272054636 /nfs/dbraw/zinc/05/46/36/1272054636.db2.gz WTGSZZZDWNNNSP-KGLIPLIRSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001575403514 1272054643 /nfs/dbraw/zinc/05/46/43/1272054643.db2.gz WTGSZZZDWNNNSP-KGLIPLIRSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CCc2c[nH]nn2)C1 ZINC001575566660 1272202943 /nfs/dbraw/zinc/20/29/43/1272202943.db2.gz LEVLMSKUBYQHLT-HOTGVXAUSA-N 1 3 364.494 0.144 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC(C)([NH2+]Cc2cnn[nH]2)CC1 ZINC001575566529 1272203017 /nfs/dbraw/zinc/20/30/17/1272203017.db2.gz JORZOYWHRMLBEN-CQSZACIVSA-N 1 3 350.467 0.244 20 0 FCADHO C[C@@H](NCc1c[nH]nn1)[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001575702731 1272327089 /nfs/dbraw/zinc/32/70/89/1272327089.db2.gz OYUOYPMVVMVSBF-WBVHZDCISA-N 1 3 364.494 0.776 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485435 1273332963 /nfs/dbraw/zinc/33/29/63/1273332963.db2.gz LTDOOSQQYJMWCD-ZBFHGGJFSA-N 1 3 350.467 0.244 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485435 1273332970 /nfs/dbraw/zinc/33/29/70/1273332970.db2.gz LTDOOSQQYJMWCD-ZBFHGGJFSA-N 1 3 350.467 0.244 20 0 FCADHO C[NH+]1CCC(OCC(=O)N2CCCC[C@@H]2CNCc2c[nH]nn2)CC1 ZINC001576884397 1273870888 /nfs/dbraw/zinc/87/08/88/1273870888.db2.gz WEOVMYSITIJZQM-OAHLLOKOSA-N 1 3 350.467 0.386 20 0 FCADHO O=C(Nc1ccc(O)cc1)C1CCN(C[C@H]2CC3(C[NH2+]C3)C(=O)O2)CC1 ZINC001580767693 1278895633 /nfs/dbraw/zinc/89/56/33/1278895633.db2.gz ICFIVTYNOXQNSW-MRXNPFEDSA-N 1 3 359.426 0.948 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001577871910 1275060494 /nfs/dbraw/zinc/06/04/94/1275060494.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001577871910 1275060497 /nfs/dbraw/zinc/06/04/97/1275060497.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001577871910 1275060507 /nfs/dbraw/zinc/06/05/07/1275060507.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001577871910 1275060515 /nfs/dbraw/zinc/06/05/15/1275060515.db2.gz RTONQVJKZWTZTQ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO O=C(NC[C@@H]1CN(CCc2cn[nH]n2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002400 1275259919 /nfs/dbraw/zinc/25/99/19/1275259919.db2.gz WOADLVHQWWAIDA-MRXNPFEDSA-N 1 3 362.478 0.183 20 0 FCADHO CN(CC1CN(C)C1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001578521194 1275956054 /nfs/dbraw/zinc/95/60/54/1275956054.db2.gz MZSBECQDHNZTRU-UHFFFAOYSA-N 1 3 357.252 0.203 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CCO4)c2)CC1 ZINC001578536437 1275965312 /nfs/dbraw/zinc/96/53/12/1275965312.db2.gz SOQYYLSLKPOCBP-AZUAARDMSA-N 1 3 358.486 0.429 20 0 FCADHO CN1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCN2CC=CCC2)CC1=O ZINC001578536644 1275966625 /nfs/dbraw/zinc/96/66/25/1275966625.db2.gz DOHGQQZULBYLCO-GASCZTMLSA-N 1 3 359.478 0.023 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001578974939 1276524695 /nfs/dbraw/zinc/52/46/95/1276524695.db2.gz XYRBYOQFRJNMEY-UHFFFAOYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001578974939 1276524697 /nfs/dbraw/zinc/52/46/97/1276524697.db2.gz XYRBYOQFRJNMEY-UHFFFAOYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001578976216 1276528054 /nfs/dbraw/zinc/52/80/54/1276528054.db2.gz RMKGJULZUCNZMH-IYBDPMFKSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001578976216 1276528057 /nfs/dbraw/zinc/52/80/57/1276528057.db2.gz RMKGJULZUCNZMH-IYBDPMFKSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001578976216 1276528068 /nfs/dbraw/zinc/52/80/68/1276528068.db2.gz RMKGJULZUCNZMH-IYBDPMFKSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001578976216 1276528074 /nfs/dbraw/zinc/52/80/74/1276528074.db2.gz RMKGJULZUCNZMH-IYBDPMFKSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001578976217 1276528250 /nfs/dbraw/zinc/52/82/50/1276528250.db2.gz ROIHKDGFMWOETR-INIZCTEOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001578976217 1276528255 /nfs/dbraw/zinc/52/82/55/1276528255.db2.gz ROIHKDGFMWOETR-INIZCTEOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001578981226 1276542200 /nfs/dbraw/zinc/54/22/00/1276542200.db2.gz UZBNVDSHQBWNAY-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001578981226 1276542202 /nfs/dbraw/zinc/54/22/02/1276542202.db2.gz UZBNVDSHQBWNAY-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001578981226 1276542203 /nfs/dbraw/zinc/54/22/03/1276542203.db2.gz UZBNVDSHQBWNAY-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001578981226 1276542205 /nfs/dbraw/zinc/54/22/05/1276542205.db2.gz UZBNVDSHQBWNAY-OSYLJGHBSA-N 1 3 369.473 0.612 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578982392 1276545862 /nfs/dbraw/zinc/54/58/62/1276545862.db2.gz NNUQDBUYRQCVRR-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001578990991 1276565903 /nfs/dbraw/zinc/56/59/03/1276565903.db2.gz OZUFMBYENXIWTK-UHFFFAOYSA-N 1 3 366.495 0.563 20 0 FCADHO COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579021274 1276599304 /nfs/dbraw/zinc/59/93/04/1276599304.db2.gz LKLWLZIPKKSPGZ-JKSUJKDBSA-N 1 3 366.510 0.548 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001579120483 1276794303 /nfs/dbraw/zinc/79/43/03/1276794303.db2.gz FUESTKDREOTVRB-BRSBDYLESA-N 1 3 362.474 0.155 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327378 1277155830 /nfs/dbraw/zinc/15/58/30/1277155830.db2.gz RLSRFIHDTBWSDC-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327378 1277155833 /nfs/dbraw/zinc/15/58/33/1277155833.db2.gz RLSRFIHDTBWSDC-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327378 1277155834 /nfs/dbraw/zinc/15/58/34/1277155834.db2.gz RLSRFIHDTBWSDC-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327378 1277155836 /nfs/dbraw/zinc/15/58/36/1277155836.db2.gz RLSRFIHDTBWSDC-RDJZCZTQSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339771 1277183048 /nfs/dbraw/zinc/18/30/48/1277183048.db2.gz LYJDMTSEHGKJHO-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339771 1277183051 /nfs/dbraw/zinc/18/30/51/1277183051.db2.gz LYJDMTSEHGKJHO-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339771 1277183056 /nfs/dbraw/zinc/18/30/56/1277183056.db2.gz LYJDMTSEHGKJHO-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339771 1277183061 /nfs/dbraw/zinc/18/30/61/1277183061.db2.gz LYJDMTSEHGKJHO-MELADBBJSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339967 1277185943 /nfs/dbraw/zinc/18/59/43/1277185943.db2.gz OQFYVUCGLSMBAF-DFBGVHRSSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339967 1277185944 /nfs/dbraw/zinc/18/59/44/1277185944.db2.gz OQFYVUCGLSMBAF-DFBGVHRSSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339967 1277185945 /nfs/dbraw/zinc/18/59/45/1277185945.db2.gz OQFYVUCGLSMBAF-DFBGVHRSSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339967 1277185946 /nfs/dbraw/zinc/18/59/46/1277185946.db2.gz OQFYVUCGLSMBAF-DFBGVHRSSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339975 1277185995 /nfs/dbraw/zinc/18/59/95/1277185995.db2.gz OTJFDPLCDXACDK-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579339975 1277185996 /nfs/dbraw/zinc/18/59/96/1277185996.db2.gz OTJFDPLCDXACDK-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339975 1277185997 /nfs/dbraw/zinc/18/59/97/1277185997.db2.gz OTJFDPLCDXACDK-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579339975 1277185998 /nfs/dbraw/zinc/18/59/98/1277185998.db2.gz OTJFDPLCDXACDK-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341393 1277189284 /nfs/dbraw/zinc/18/92/84/1277189284.db2.gz KARPDAZHJHECLY-ZBFHGGJFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341393 1277189285 /nfs/dbraw/zinc/18/92/85/1277189285.db2.gz KARPDAZHJHECLY-ZBFHGGJFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341393 1277189287 /nfs/dbraw/zinc/18/92/87/1277189287.db2.gz KARPDAZHJHECLY-ZBFHGGJFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341393 1277189288 /nfs/dbraw/zinc/18/92/88/1277189288.db2.gz KARPDAZHJHECLY-ZBFHGGJFSA-N 1 3 369.473 0.899 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015152 1277990954 /nfs/dbraw/zinc/99/09/54/1277990954.db2.gz NQNHZEMBXOBXIW-TZMCWYRMSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001580015152 1277990957 /nfs/dbraw/zinc/99/09/57/1277990957.db2.gz NQNHZEMBXOBXIW-TZMCWYRMSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015152 1277990965 /nfs/dbraw/zinc/99/09/65/1277990965.db2.gz NQNHZEMBXOBXIW-TZMCWYRMSA-N 1 3 373.461 0.421 20 0 FCADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001580015152 1277990967 /nfs/dbraw/zinc/99/09/67/1277990967.db2.gz NQNHZEMBXOBXIW-TZMCWYRMSA-N 1 3 373.461 0.421 20 0 FCADHO [NH3+]C[C@H]1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C[C@@H]1C(F)(F)F ZINC001580274711 1278070234 /nfs/dbraw/zinc/07/02/34/1278070234.db2.gz BTEVCSDDDLTYMB-AVGNSLFASA-N 1 3 355.426 0.871 20 0 FCADHO Cc1cc(N[C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988782 1279188193 /nfs/dbraw/zinc/18/81/93/1279188193.db2.gz URQHAOMJPZKJDO-MLGOLLRUSA-N 1 3 374.493 0.885 20 0 FCADHO Cc1cc(NC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581011961 1279238111 /nfs/dbraw/zinc/23/81/11/1279238111.db2.gz PYLCYERDIQSPNL-CJNGLKHVSA-N 1 3 374.493 0.837 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030767 1279268202 /nfs/dbraw/zinc/26/82/02/1279268202.db2.gz MQEQBUWQJHYHTA-WCQYABFASA-N 1 3 358.450 0.250 20 0 FCADHO Cc1cc(NC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581030767 1279268211 /nfs/dbraw/zinc/26/82/11/1279268211.db2.gz MQEQBUWQJHYHTA-WCQYABFASA-N 1 3 358.450 0.250 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682495040 1283623781 /nfs/dbraw/zinc/62/37/81/1283623781.db2.gz KSRXEZWTHDRHFY-OWCLPIDISA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682495040 1283623796 /nfs/dbraw/zinc/62/37/96/1283623796.db2.gz KSRXEZWTHDRHFY-OWCLPIDISA-N 1 3 366.506 0.031 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178594 1284277116 /nfs/dbraw/zinc/27/71/16/1284277116.db2.gz WTDLGEKMXUTHAT-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001591178594 1284277128 /nfs/dbraw/zinc/27/71/28/1284277128.db2.gz WTDLGEKMXUTHAT-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178594 1284277139 /nfs/dbraw/zinc/27/71/39/1284277139.db2.gz WTDLGEKMXUTHAT-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001591178594 1284277152 /nfs/dbraw/zinc/27/71/52/1284277152.db2.gz WTDLGEKMXUTHAT-MCIONIFRSA-N 1 3 373.436 0.694 20 0 FCADHO C[NH2+]CCC1CC[NH+](C[C@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001591218239 1284354481 /nfs/dbraw/zinc/35/44/81/1284354481.db2.gz MTUUDXOPNJPVHP-HNNXBMFYSA-N 1 3 360.462 0.928 20 0 FCADHO C[NH2+]CCC1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001591218239 1284354489 /nfs/dbraw/zinc/35/44/89/1284354489.db2.gz MTUUDXOPNJPVHP-HNNXBMFYSA-N 1 3 360.462 0.928 20 0 FCADHO COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001591561565 1284736106 /nfs/dbraw/zinc/73/61/06/1284736106.db2.gz JGPGOUSKDAQPGT-ZDUSSCGKSA-N 1 3 373.461 0.423 20 0 FCADHO COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001591561565 1284736115 /nfs/dbraw/zinc/73/61/15/1284736115.db2.gz JGPGOUSKDAQPGT-ZDUSSCGKSA-N 1 3 373.461 0.423 20 0 FCADHO O=C(NCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593086449 1285986178 /nfs/dbraw/zinc/98/61/78/1285986178.db2.gz QWELLFLAQFCXBE-MRXNPFEDSA-N 1 3 373.436 0.553 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC001703076322 1286091098 /nfs/dbraw/zinc/09/10/98/1286091098.db2.gz DDLBUPZWYYWZOW-HZPDHXFCSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC001703076322 1286091102 /nfs/dbraw/zinc/09/11/02/1286091102.db2.gz DDLBUPZWYYWZOW-HZPDHXFCSA-N 1 3 352.523 0.975 20 0 FCADHO C[NH+]1CCC(C[NH2+]Cc2cccc(-c3nnn[n-]3)n2)(N2CCOCC2)CC1 ZINC001604854400 1287799980 /nfs/dbraw/zinc/79/99/80/1287799980.db2.gz NWHZNKZYFPVEAL-UHFFFAOYSA-N 1 3 372.477 0.148 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001604892896 1287809639 /nfs/dbraw/zinc/80/96/39/1287809639.db2.gz WKFMMYLHCCFDHW-UHFFFAOYSA-N 1 3 357.462 0.947 20 0 FCADHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001604892896 1287809640 /nfs/dbraw/zinc/80/96/40/1287809640.db2.gz WKFMMYLHCCFDHW-UHFFFAOYSA-N 1 3 357.462 0.947 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001732062935 1288573123 /nfs/dbraw/zinc/57/31/23/1288573123.db2.gz CKPRNXBCTCIBTF-GUDVDZBRSA-N 1 3 366.550 0.972 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001732062935 1288573126 /nfs/dbraw/zinc/57/31/26/1288573126.db2.gz CKPRNXBCTCIBTF-GUDVDZBRSA-N 1 3 366.550 0.972 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1OC ZINC001735896211 1289004701 /nfs/dbraw/zinc/00/47/01/1289004701.db2.gz ALWXSUDXKIMCJA-IXDOHACOSA-N 1 3 368.522 0.543 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1OC ZINC001735896211 1289004707 /nfs/dbraw/zinc/00/47/07/1289004707.db2.gz ALWXSUDXKIMCJA-IXDOHACOSA-N 1 3 368.522 0.543 20 0 FCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001691917383 1289341269 /nfs/dbraw/zinc/34/12/69/1289341269.db2.gz GTQHMDICAZEJKM-IXDOHACOSA-N 1 3 366.506 0.062 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)CC[N@@H+]1C ZINC001699257876 1289548058 /nfs/dbraw/zinc/54/80/58/1289548058.db2.gz FLBXKVNMZGEFQS-PRXHZCDDSA-N 1 3 358.446 0.125 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)CC[N@H+]1C ZINC001699257876 1289548066 /nfs/dbraw/zinc/54/80/66/1289548066.db2.gz FLBXKVNMZGEFQS-PRXHZCDDSA-N 1 3 358.446 0.125 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001739469716 1290058272 /nfs/dbraw/zinc/05/82/72/1290058272.db2.gz ADURGVOLPXXSRU-HZPDHXFCSA-N 1 3 370.538 0.384 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001739469716 1290058281 /nfs/dbraw/zinc/05/82/81/1290058281.db2.gz ADURGVOLPXXSRU-HZPDHXFCSA-N 1 3 370.538 0.384 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001739629668 1290263484 /nfs/dbraw/zinc/26/34/84/1290263484.db2.gz JXXSIZVQYFIBFF-SJORKVTESA-N 1 3 368.522 0.282 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)CC[N@@H+]1C ZINC001756203738 1290650770 /nfs/dbraw/zinc/65/07/70/1290650770.db2.gz TVDGRVRMRKTCAL-NNPSNHGLSA-N 1 3 364.534 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)CC[N@H+]1C ZINC001756203738 1290650777 /nfs/dbraw/zinc/65/07/77/1290650777.db2.gz TVDGRVRMRKTCAL-NNPSNHGLSA-N 1 3 364.534 0.878 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNCc1ccn(C)n1 ZINC001689071534 1294593245 /nfs/dbraw/zinc/59/32/45/1294593245.db2.gz XIRLBKBNIGBIAH-NVXWUHKLSA-N 1 3 363.506 0.715 20 0 FCADHO COc1coc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151629 1294860842 /nfs/dbraw/zinc/86/08/42/1294860842.db2.gz PLYRLCPMSYYRNM-DAXOMENPSA-N 1 3 363.458 0.973 20 0 FCADHO COc1coc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)cc1=O ZINC001690151629 1294860857 /nfs/dbraw/zinc/86/08/57/1294860857.db2.gz PLYRLCPMSYYRNM-DAXOMENPSA-N 1 3 363.458 0.973 20 0 FCADHO CC1CCN(CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001070060302 837611474 /nfs/dbraw/zinc/61/14/74/837611474.db2.gz OXOMNTDLPXODBJ-CVEARBPZSA-N 1 3 352.458 0.711 20 0 FCADHO CC1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001070060302 837611475 /nfs/dbraw/zinc/61/14/75/837611475.db2.gz OXOMNTDLPXODBJ-CVEARBPZSA-N 1 3 352.458 0.711 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001100343827 844051996 /nfs/dbraw/zinc/05/19/96/844051996.db2.gz VNMHWSDLTXOEFG-BLYZHGLHSA-N 1 3 365.503 0.906 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001100343827 844052005 /nfs/dbraw/zinc/05/20/05/844052005.db2.gz VNMHWSDLTXOEFG-BLYZHGLHSA-N 1 3 365.503 0.906 20 0 FCADHO C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379656525 836049613 /nfs/dbraw/zinc/04/96/13/836049613.db2.gz PKHXBOWEZHQEAZ-DOTOQJQBSA-N 1 3 352.504 0.779 20 0 FCADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368659 844163130 /nfs/dbraw/zinc/16/31/30/844163130.db2.gz GNCBNSJXOCBQSF-GJYPPUQNSA-N 1 3 355.523 0.752 20 0 FCADHO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368659 844163137 /nfs/dbraw/zinc/16/31/37/844163137.db2.gz GNCBNSJXOCBQSF-GJYPPUQNSA-N 1 3 355.523 0.752 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474274 844199215 /nfs/dbraw/zinc/19/92/15/844199215.db2.gz QQKCVHZGGKCPTL-GJYPPUQNSA-N 1 3 350.507 0.907 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001065409607 836838020 /nfs/dbraw/zinc/83/80/20/836838020.db2.gz LVNTZSSYPYTQDR-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001065409607 836838028 /nfs/dbraw/zinc/83/80/28/836838028.db2.gz LVNTZSSYPYTQDR-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974769 844357290 /nfs/dbraw/zinc/35/72/90/844357290.db2.gz PHRIVUKSMYFTQP-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044963 844394432 /nfs/dbraw/zinc/39/44/32/844394432.db2.gz MBMYNZPGBZHAEG-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044963 844394437 /nfs/dbraw/zinc/39/44/37/844394437.db2.gz MBMYNZPGBZHAEG-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047605 844394879 /nfs/dbraw/zinc/39/48/79/844394879.db2.gz MUCUCBKUPLGQRD-QGPMSJSTSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047605 844394886 /nfs/dbraw/zinc/39/48/86/844394886.db2.gz MUCUCBKUPLGQRD-QGPMSJSTSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048614 844395904 /nfs/dbraw/zinc/39/59/04/844395904.db2.gz ILZUTKUSXFVXNQ-KBRIMQKVSA-N 1 3 350.507 0.537 20 0 FCADHO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048614 844395911 /nfs/dbraw/zinc/39/59/11/844395911.db2.gz ILZUTKUSXFVXNQ-KBRIMQKVSA-N 1 3 350.507 0.537 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001077618748 839072910 /nfs/dbraw/zinc/07/29/10/839072910.db2.gz RVDLJDHNKNHVJS-KURKYZTESA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119261 844423195 /nfs/dbraw/zinc/42/31/95/844423195.db2.gz CXGXQMUWHDBQSP-HZPDHXFCSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](CN1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1)CS(C)(=O)=O ZINC001102294456 844459633 /nfs/dbraw/zinc/45/96/33/844459633.db2.gz ZARKKDIDVYFZJE-ARFHVFGLSA-N 1 3 361.552 0.693 20 0 FCADHO C[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320502 844466670 /nfs/dbraw/zinc/46/66/70/844466670.db2.gz FTDDKGRCGWWGFA-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496445 844531394 /nfs/dbraw/zinc/53/13/94/844531394.db2.gz WEWHFFWMULSHDJ-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496445 844531402 /nfs/dbraw/zinc/53/14/02/844531402.db2.gz WEWHFFWMULSHDJ-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO C[C@H](CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)CS(C)(=O)=O ZINC001102514481 844546266 /nfs/dbraw/zinc/54/62/66/844546266.db2.gz YQYDWTCSZWKXPU-BZUAXINKSA-N 1 3 371.547 0.447 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082766566 840548923 /nfs/dbraw/zinc/54/89/23/840548923.db2.gz GYRUDRUTAKBWEW-VNHYZAJKSA-N 1 3 354.476 0.214 20 0 FCADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596425 844586821 /nfs/dbraw/zinc/58/68/21/844586821.db2.gz FJJWGJOVNNARHH-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600615 844591826 /nfs/dbraw/zinc/59/18/26/844591826.db2.gz MYGPDVCOWXFYGP-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102600615 844591828 /nfs/dbraw/zinc/59/18/28/844591828.db2.gz MYGPDVCOWXFYGP-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)CC1 ZINC001083749587 841391570 /nfs/dbraw/zinc/39/15/70/841391570.db2.gz HOKNOBVDQBGBHV-MSOLQXFVSA-N 1 3 353.507 0.696 20 0 FCADHO O=C(N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958830 841604201 /nfs/dbraw/zinc/60/42/01/841604201.db2.gz YCXQQIFDSBNKBF-IKGGRYGDSA-N 1 3 351.491 0.185 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001086784953 842173256 /nfs/dbraw/zinc/17/32/56/842173256.db2.gz CRBUJFJUYJXCMO-SQWLQELKSA-N 1 3 351.451 0.553 20 0 FCADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnon3)C2)C1 ZINC001086784953 842173260 /nfs/dbraw/zinc/17/32/60/842173260.db2.gz CRBUJFJUYJXCMO-SQWLQELKSA-N 1 3 351.451 0.553 20 0 FCADHO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnon3)C2)C1 ZINC001086784953 842173265 /nfs/dbraw/zinc/17/32/65/842173265.db2.gz CRBUJFJUYJXCMO-SQWLQELKSA-N 1 3 351.451 0.553 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]C(C)C ZINC001087067444 842263285 /nfs/dbraw/zinc/26/32/85/842263285.db2.gz CBXUMQPXDSEZHG-RVKOJVRFSA-N 1 3 351.491 0.711 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ocnc1C ZINC001087101010 842288882 /nfs/dbraw/zinc/28/88/82/842288882.db2.gz PBCADUSCCIAOLF-ZMSDIMECSA-N 1 3 350.463 0.888 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ocnc1C ZINC001087101010 842288893 /nfs/dbraw/zinc/28/88/93/842288893.db2.gz PBCADUSCCIAOLF-ZMSDIMECSA-N 1 3 350.463 0.888 20 0 FCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087175574 842308171 /nfs/dbraw/zinc/30/81/71/842308171.db2.gz VFNDZSKTGFERAW-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCCO ZINC001087601294 842372428 /nfs/dbraw/zinc/37/24/28/842372428.db2.gz KMWBCRMGZNQJMC-KSZLIROESA-N 1 3 353.507 0.981 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@H+]1CCCO ZINC001087601294 842372437 /nfs/dbraw/zinc/37/24/37/842372437.db2.gz KMWBCRMGZNQJMC-KSZLIROESA-N 1 3 353.507 0.981 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001092758615 843294432 /nfs/dbraw/zinc/29/44/32/843294432.db2.gz XCRVYDKZIMYZLQ-ZACQAIPSSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001092758615 843294443 /nfs/dbraw/zinc/29/44/43/843294443.db2.gz XCRVYDKZIMYZLQ-ZACQAIPSSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931485 843347914 /nfs/dbraw/zinc/34/79/14/843347914.db2.gz NQJDRJUQQJEMBR-NVXWUHKLSA-N 1 3 350.507 0.635 20 0 FCADHO COCCC[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276315813 861408817 /nfs/dbraw/zinc/40/88/17/861408817.db2.gz NICZKSFNHVSNAP-IBGZPJMESA-N 1 3 352.523 0.727 20 0 FCADHO COCCC[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276315813 861408823 /nfs/dbraw/zinc/40/88/23/861408823.db2.gz NICZKSFNHVSNAP-IBGZPJMESA-N 1 3 352.523 0.727 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093277400 843420137 /nfs/dbraw/zinc/42/01/37/843420137.db2.gz HKHAJYUHHFYOQE-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1=O ZINC001093825991 843475156 /nfs/dbraw/zinc/47/51/56/843475156.db2.gz VZXJSOXDJCDOLT-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001094074531 843508629 /nfs/dbraw/zinc/50/86/29/843508629.db2.gz GNLLNVYONPJCFW-RBSFLKMASA-N 1 3 368.503 0.461 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001103085319 844697646 /nfs/dbraw/zinc/69/76/46/844697646.db2.gz PSFXGKKYWDXCAR-INMHGKMJSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001103085319 844697651 /nfs/dbraw/zinc/69/76/51/844697651.db2.gz PSFXGKKYWDXCAR-INMHGKMJSA-N 1 3 350.507 0.953 20 0 FCADHO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087884 844699394 /nfs/dbraw/zinc/69/93/94/844699394.db2.gz OGRQPIWHHMOULM-QGPMSJSTSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087884 844699397 /nfs/dbraw/zinc/69/93/97/844699397.db2.gz OGRQPIWHHMOULM-QGPMSJSTSA-N 1 3 352.523 0.927 20 0 FCADHO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435907 844757296 /nfs/dbraw/zinc/75/72/96/844757296.db2.gz DDDMRORQEFGTQH-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435907 844757301 /nfs/dbraw/zinc/75/73/01/844757301.db2.gz DDDMRORQEFGTQH-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550569 844778725 /nfs/dbraw/zinc/77/87/25/844778725.db2.gz XDHUXSWXFCHVDD-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103550569 844778731 /nfs/dbraw/zinc/77/87/31/844778731.db2.gz XDHUXSWXFCHVDD-RBSFLKMASA-N 1 3 352.479 0.208 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103642162 844794103 /nfs/dbraw/zinc/79/41/03/844794103.db2.gz SLMQOMSZUGSQJT-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103642162 844794112 /nfs/dbraw/zinc/79/41/12/844794112.db2.gz SLMQOMSZUGSQJT-BRWVUGGUSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103646887 844794761 /nfs/dbraw/zinc/79/47/61/844794761.db2.gz KPUIVAIOXBMIKF-HZPDHXFCSA-N 1 3 371.547 0.591 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718886 844807109 /nfs/dbraw/zinc/80/71/09/844807109.db2.gz IVTVFHHKUHLPIY-OIISXLGYSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718886 844807113 /nfs/dbraw/zinc/80/71/13/844807113.db2.gz IVTVFHHKUHLPIY-OIISXLGYSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001103999505 844851020 /nfs/dbraw/zinc/85/10/20/844851020.db2.gz ASTIXOICGXRLAI-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001103999633 844851700 /nfs/dbraw/zinc/85/17/00/844851700.db2.gz FRGQYAZGBADVNP-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682999 844932818 /nfs/dbraw/zinc/93/28/18/844932818.db2.gz FLAIJTNSITYUIK-OWCLPIDISA-N 1 3 352.523 0.927 20 0 FCADHO C[C@H](C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)CS(C)(=O)=O ZINC001104732081 844935427 /nfs/dbraw/zinc/93/54/27/844935427.db2.gz MSDDIFXLWYVPBO-RBSFLKMASA-N 1 3 370.519 0.707 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104832462 844949236 /nfs/dbraw/zinc/94/92/36/844949236.db2.gz BTXKLKXKBKACOK-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250069 845143141 /nfs/dbraw/zinc/14/31/41/845143141.db2.gz XPFNJGLDKQXLCF-QGPMSJSTSA-N 1 3 352.523 0.878 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106339577 845159237 /nfs/dbraw/zinc/15/92/37/845159237.db2.gz SVRRREHFXOXLTK-GDBMZVCRSA-N 1 3 352.523 0.927 20 0 FCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453755 845177059 /nfs/dbraw/zinc/17/70/59/845177059.db2.gz VKHAPTPERYRIQF-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666476 845218218 /nfs/dbraw/zinc/21/82/18/845218218.db2.gz LZLHAJZAHAIGSP-HBUWYVDXSA-N 1 3 356.486 0.629 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C2)C1 ZINC001106666334 845218658 /nfs/dbraw/zinc/21/86/58/845218658.db2.gz KXQIQZOAQFMGPF-ARFHVFGLSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCNC(=O)C3CC3)[C@H](C)C2)C1 ZINC001106665792 845218770 /nfs/dbraw/zinc/21/87/70/845218770.db2.gz BQBAHPHTFOXPFM-ZMSDIMECSA-N 1 3 350.507 0.539 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106668998 845220168 /nfs/dbraw/zinc/22/01/68/845220168.db2.gz SWMFJSJIPQAXGB-HUUCEWRRSA-N 1 3 350.507 0.681 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1)N(C)C ZINC001106673097 845221971 /nfs/dbraw/zinc/22/19/71/845221971.db2.gz BTMWTHQSHUCLEK-UPJWGTAASA-N 1 3 366.428 0.689 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106783156 845252137 /nfs/dbraw/zinc/25/21/37/845252137.db2.gz IXDAJKAIDVTPIT-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106783334 845252558 /nfs/dbraw/zinc/25/25/58/845252558.db2.gz MTTPVEYTHMZWSH-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106907944 845284715 /nfs/dbraw/zinc/28/47/15/845284715.db2.gz JRGCFWHSJGKXTF-BZUAXINKSA-N 1 3 361.552 0.693 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CC(=O)N1CCC1)CC2 ZINC001107598680 845406102 /nfs/dbraw/zinc/40/61/02/845406102.db2.gz QLYGUELCMLOIQO-VQIMIIECSA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CC(=O)N1CCC1)CC2 ZINC001107598680 845406107 /nfs/dbraw/zinc/40/61/07/845406107.db2.gz QLYGUELCMLOIQO-VQIMIIECSA-N 1 3 350.507 0.921 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565149 845689543 /nfs/dbraw/zinc/68/95/43/845689543.db2.gz BUABRVIPABASQL-NCOADZHNSA-N 1 3 353.507 0.980 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653948 845705221 /nfs/dbraw/zinc/70/52/21/845705221.db2.gz OMWCHZSJMOJILG-IKGGRYGDSA-N 1 3 354.495 0.202 20 0 FCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709751 845953023 /nfs/dbraw/zinc/95/30/23/845953023.db2.gz KKTMXAYODPXONG-VQHPVUNQSA-N 1 3 351.491 0.591 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111910322 846256794 /nfs/dbraw/zinc/25/67/94/846256794.db2.gz UEVWQDWBXILAPS-IYOUNJFTSA-N 1 3 350.463 0.104 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111910322 846256801 /nfs/dbraw/zinc/25/68/01/846256801.db2.gz UEVWQDWBXILAPS-IYOUNJFTSA-N 1 3 350.463 0.104 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001112009898 846295125 /nfs/dbraw/zinc/29/51/25/846295125.db2.gz ZFSPSZBGWHEGPS-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001112009898 846295132 /nfs/dbraw/zinc/29/51/32/846295132.db2.gz ZFSPSZBGWHEGPS-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112166163 846429239 /nfs/dbraw/zinc/42/92/39/846429239.db2.gz HUQJMMCJJMTFQD-BFHYXJOUSA-N 1 3 367.412 0.459 20 0 FCADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112166163 846429246 /nfs/dbraw/zinc/42/92/46/846429246.db2.gz HUQJMMCJJMTFQD-BFHYXJOUSA-N 1 3 367.412 0.459 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194307 846454377 /nfs/dbraw/zinc/45/43/77/846454377.db2.gz XXNNABHYVIEJRR-CHWSQXEVSA-N 1 3 355.401 0.580 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112196655 846454981 /nfs/dbraw/zinc/45/49/81/846454981.db2.gz XFIDYBYUUFVAKE-BFHYXJOUSA-N 1 3 369.428 0.705 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@H](O)COC)C1 ZINC001112196655 846454991 /nfs/dbraw/zinc/45/49/91/846454991.db2.gz XFIDYBYUUFVAKE-BFHYXJOUSA-N 1 3 369.428 0.705 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001112198289 846456263 /nfs/dbraw/zinc/45/62/63/846456263.db2.gz NBZKUDWEQJGOJZ-JHJVBQTASA-N 1 3 355.401 0.314 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112529905 846515996 /nfs/dbraw/zinc/51/59/96/846515996.db2.gz VDHRMLWWLONQQX-BXWFABGCSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112567606 846526002 /nfs/dbraw/zinc/52/60/02/846526002.db2.gz YLRXMAVJZQLSDN-LPHOPBHVSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276960006 861707290 /nfs/dbraw/zinc/70/72/90/861707290.db2.gz NDHJBCLKEQFJAR-DLBZAZTESA-N 1 3 352.523 0.223 20 0 FCADHO N[C@H](CC(F)F)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001118197565 847320019 /nfs/dbraw/zinc/32/00/19/847320019.db2.gz OMZBTFMBXMAYGA-CQSZACIVSA-N 1 3 360.449 0.810 20 0 FCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC001119310325 847808296 /nfs/dbraw/zinc/80/82/96/847808296.db2.gz YKWXOELVGGPDOU-YOEHRIQHSA-N 1 3 352.479 0.086 20 0 FCADHO CCN1CCN(CCC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120567619 848247036 /nfs/dbraw/zinc/24/70/36/848247036.db2.gz MMKKLSQKPVNGGR-GOSISDBHSA-N 1 3 369.531 0.741 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCCN2C)CC1=O ZINC001120810734 848287287 /nfs/dbraw/zinc/28/72/87/848287287.db2.gz VHTZKZCQISNBDR-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCCCN2C)CC1=O ZINC001120810734 848287292 /nfs/dbraw/zinc/28/72/92/848287292.db2.gz VHTZKZCQISNBDR-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CNS(=O)(=O)c1ccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001127643707 848730572 /nfs/dbraw/zinc/73/05/72/848730572.db2.gz HQGZEBFTSYLTIE-CZUORRHYSA-N 1 3 368.503 0.141 20 0 FCADHO CNS(=O)(=O)c1ccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001127643707 848730578 /nfs/dbraw/zinc/73/05/78/848730578.db2.gz HQGZEBFTSYLTIE-CZUORRHYSA-N 1 3 368.503 0.141 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCc2cccs2)CC[N@@H+]1C ZINC001127700868 848732757 /nfs/dbraw/zinc/73/27/57/848732757.db2.gz FVFQIAAQAVSDSA-JKSUJKDBSA-N 1 3 366.531 0.843 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCc2cccs2)CC[N@H+]1C ZINC001127700868 848732763 /nfs/dbraw/zinc/73/27/63/848732763.db2.gz FVFQIAAQAVSDSA-JKSUJKDBSA-N 1 3 366.531 0.843 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCc2ccsc2)CC[N@@H+]1C ZINC001127706145 848732909 /nfs/dbraw/zinc/73/29/09/848732909.db2.gz IOTUOFDPIFPZCJ-JKSUJKDBSA-N 1 3 366.531 0.843 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCc2ccsc2)CC[N@H+]1C ZINC001127706145 848732915 /nfs/dbraw/zinc/73/29/15/848732915.db2.gz IOTUOFDPIFPZCJ-JKSUJKDBSA-N 1 3 366.531 0.843 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894311 848909675 /nfs/dbraw/zinc/90/96/75/848909675.db2.gz ACXZSOQXPDGLMZ-IMJJTQAJSA-N 1 3 350.467 0.139 20 0 FCADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894888 848910149 /nfs/dbraw/zinc/91/01/49/848910149.db2.gz WPARETGXAKRNRB-IMJJTQAJSA-N 1 3 352.458 0.852 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[n-]1 ZINC001130221120 848979129 /nfs/dbraw/zinc/97/91/29/848979129.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 1 3 350.467 0.387 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[n-]1 ZINC001130221120 848979131 /nfs/dbraw/zinc/97/91/31/848979131.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 1 3 350.467 0.387 20 0 FCADHO CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001130293323 848996828 /nfs/dbraw/zinc/99/68/28/848996828.db2.gz UMFAEABAAKKOAA-NJAFHUGGSA-N 1 3 350.507 0.822 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H](C)OC)C1 ZINC001130719247 849028958 /nfs/dbraw/zinc/02/89/58/849028958.db2.gz FVIGCVLOZHDSSE-YQQAZPJKSA-N 1 3 351.495 0.681 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+][C@@H](C)COC)C1 ZINC001131091437 849078570 /nfs/dbraw/zinc/07/85/70/849078570.db2.gz HVWIPCKMZXZVBE-ARFHVFGLSA-N 1 3 351.495 0.681 20 0 FCADHO CC(C)N(C)CC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001142584454 849453841 /nfs/dbraw/zinc/45/38/41/849453841.db2.gz XNKLHWIOFHMSNT-UHFFFAOYSA-N 1 3 351.451 0.191 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241003 850027668 /nfs/dbraw/zinc/02/76/68/850027668.db2.gz POSPEOARGVVHBB-WDEREUQCSA-N 1 3 365.400 0.438 20 0 FCADHO CCC[C@H](N)C(=O)N1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001158384468 850044852 /nfs/dbraw/zinc/04/48/52/850044852.db2.gz SXQFUNDVCDYTRO-ZLKJLUDKSA-N 1 3 351.369 0.657 20 0 FCADHO CN1CCC(N(c2nc(Cl)ncc2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158575314 850060758 /nfs/dbraw/zinc/06/07/58/850060758.db2.gz LHQWNDKRIQDTGL-UHFFFAOYSA-N 1 3 352.870 0.882 20 0 FCADHO CC(C)n1nc(CN(C)C)c2c1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001158697587 850067841 /nfs/dbraw/zinc/06/78/41/850067841.db2.gz DLFAVOXFNUMQCS-AWEZNQCLSA-N 1 3 368.551 0.430 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158698941 850067959 /nfs/dbraw/zinc/06/79/59/850067959.db2.gz URZHVQVZTQGTCK-MPTYRVRUSA-N 1 3 352.479 0.071 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001159029914 850092406 /nfs/dbraw/zinc/09/24/06/850092406.db2.gz MXTPBAXIPVJXFW-MRXNPFEDSA-N 1 3 350.463 0.539 20 0 FCADHO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001159625514 850124584 /nfs/dbraw/zinc/12/45/84/850124584.db2.gz XDBYFRBHTWCVMK-XYJFISCASA-N 1 3 351.491 0.905 20 0 FCADHO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001159625514 850124589 /nfs/dbraw/zinc/12/45/89/850124589.db2.gz XDBYFRBHTWCVMK-XYJFISCASA-N 1 3 351.491 0.905 20 0 FCADHO CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159844875 850140912 /nfs/dbraw/zinc/14/09/12/850140912.db2.gz LGOUAKVOOVXOOE-GJZGRUSLSA-N 1 3 354.495 0.223 20 0 FCADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160746471 850195918 /nfs/dbraw/zinc/19/59/18/850195918.db2.gz JTIOJYSSARZIOO-CABCVRRESA-N 1 3 352.479 0.004 20 0 FCADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160746471 850195924 /nfs/dbraw/zinc/19/59/24/850195924.db2.gz JTIOJYSSARZIOO-CABCVRRESA-N 1 3 352.479 0.004 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160915505 850214079 /nfs/dbraw/zinc/21/40/79/850214079.db2.gz BOZGTHSNRTZRRP-NSHDSACASA-N 1 3 359.883 0.519 20 0 FCADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161170613 850236148 /nfs/dbraw/zinc/23/61/48/850236148.db2.gz KPPIFFDMYGQHKQ-MJBXVCDLSA-N 1 3 351.451 0.422 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169132957 850607748 /nfs/dbraw/zinc/60/77/48/850607748.db2.gz ANQGQABRKOTHKE-CNMWIUBYSA-N 1 3 351.491 0.998 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169132957 850607755 /nfs/dbraw/zinc/60/77/55/850607755.db2.gz ANQGQABRKOTHKE-CNMWIUBYSA-N 1 3 351.491 0.998 20 0 FCADHO C[C@@H](Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)[C@@H]1CNCCO1 ZINC001170577129 850659196 /nfs/dbraw/zinc/65/91/96/850659196.db2.gz YENMWRATLAKFOE-DYVFJYSZSA-N 1 3 368.503 0.506 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188188850 851657699 /nfs/dbraw/zinc/65/76/99/851657699.db2.gz HGWYATNOYPZPFL-RCCFBDPRSA-N 1 3 353.507 0.506 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188188850 851657702 /nfs/dbraw/zinc/65/77/02/851657702.db2.gz HGWYATNOYPZPFL-RCCFBDPRSA-N 1 3 353.507 0.506 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159947 851761782 /nfs/dbraw/zinc/76/17/82/851761782.db2.gz QXBODPZZYZVGKR-HRCADAONSA-N 1 3 350.507 0.776 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)CC(C)(C)C ZINC001189159947 851761792 /nfs/dbraw/zinc/76/17/92/851761792.db2.gz QXBODPZZYZVGKR-HRCADAONSA-N 1 3 350.507 0.776 20 0 FCADHO COCCCCN1C[C@@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001278276302 862288309 /nfs/dbraw/zinc/28/83/09/862288309.db2.gz HOZRTHAVVQJOLH-KSZLIROESA-N 1 3 351.491 0.809 20 0 FCADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189871824 851833787 /nfs/dbraw/zinc/83/37/87/851833787.db2.gz RRRXQJUNGHLBGF-RRFJBIMHSA-N 1 3 350.463 0.056 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001189912826 851841022 /nfs/dbraw/zinc/84/10/22/851841022.db2.gz GSMZVOQIIIMCRD-JKSUJKDBSA-N 1 3 351.495 0.276 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001189912826 851841030 /nfs/dbraw/zinc/84/10/30/851841030.db2.gz GSMZVOQIIIMCRD-JKSUJKDBSA-N 1 3 351.495 0.276 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCNC(=O)C3CC3)C2)CC[N@@H+]1C ZINC001190247163 851883684 /nfs/dbraw/zinc/88/36/84/851883684.db2.gz LXGQVDYLKGWXNV-YESZJQIVSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCNC(=O)C3CC3)C2)CC[N@H+]1C ZINC001190247163 851883692 /nfs/dbraw/zinc/88/36/92/851883692.db2.gz LXGQVDYLKGWXNV-YESZJQIVSA-N 1 3 350.507 0.776 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001193901555 852503746 /nfs/dbraw/zinc/50/37/46/852503746.db2.gz GPNWNPXVNBEKEZ-RCCFBDPRSA-N 1 3 353.507 0.839 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001193901555 852503752 /nfs/dbraw/zinc/50/37/52/852503752.db2.gz GPNWNPXVNBEKEZ-RCCFBDPRSA-N 1 3 353.507 0.839 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001195676767 852810718 /nfs/dbraw/zinc/81/07/18/852810718.db2.gz KEIGBFPBBBTSEL-BRWVUGGUSA-N 1 3 353.507 0.431 20 0 FCADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O)C(C)C ZINC001197018493 853049839 /nfs/dbraw/zinc/04/98/39/853049839.db2.gz VSBSUPPCXUMIHJ-KZNAEPCWSA-N 1 3 355.523 0.941 20 0 FCADHO CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199017736 853355043 /nfs/dbraw/zinc/35/50/43/853355043.db2.gz LHTCZAFZNASGEM-KZNAEPCWSA-N 1 3 353.507 0.839 20 0 FCADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CCC1 ZINC001199018384 853356592 /nfs/dbraw/zinc/35/65/92/853356592.db2.gz XLTBBDGWSUMART-KURKYZTESA-N 1 3 353.507 0.839 20 0 FCADHO COCC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205519422 853620111 /nfs/dbraw/zinc/62/01/11/853620111.db2.gz MGFGJODXYWVWIL-DLBZAZTESA-N 1 3 353.507 0.912 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496103 853943600 /nfs/dbraw/zinc/94/36/00/853943600.db2.gz JQTXDGNMGKGXBM-HLLBOEOZSA-N 1 3 353.463 0.545 20 0 FCADHO CC(=O)N1CC2(C1)C[N@@H+](CCCN1CCCCC1)C[C@@H]2C(=O)N(C)C ZINC001209454741 854028268 /nfs/dbraw/zinc/02/82/68/854028268.db2.gz SUKSXSCJHVNCIU-QGZVFWFLSA-N 1 3 350.507 0.731 20 0 FCADHO CC(=O)N1CC2(C1)C[N@H+](CCCN1CCCCC1)C[C@@H]2C(=O)N(C)C ZINC001209454741 854028272 /nfs/dbraw/zinc/02/82/72/854028272.db2.gz SUKSXSCJHVNCIU-QGZVFWFLSA-N 1 3 350.507 0.731 20 0 FCADHO CC(C)COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329892 854100376 /nfs/dbraw/zinc/10/03/76/854100376.db2.gz JRQVRIFMVQWDHR-IXDOHACOSA-N 1 3 353.507 0.552 20 0 FCADHO CO[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729957 854739266 /nfs/dbraw/zinc/73/92/66/854739266.db2.gz ABMGINJLSBOYNV-BRWVUGGUSA-N 1 3 357.495 0.197 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC001214757120 855002460 /nfs/dbraw/zinc/00/24/60/855002460.db2.gz BQDDVNSPNQTDLQ-OWCLPIDISA-N 1 3 358.502 0.971 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(C)C)C2)C1 ZINC001214845227 855021152 /nfs/dbraw/zinc/02/11/52/855021152.db2.gz KMJSEBGQZXDIKG-BRWVUGGUSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(C)C)C2)C1 ZINC001214845227 855021159 /nfs/dbraw/zinc/02/11/59/855021159.db2.gz KMJSEBGQZXDIKG-BRWVUGGUSA-N 1 3 352.523 0.925 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214847946 855022075 /nfs/dbraw/zinc/02/20/75/855022075.db2.gz ZWMKKRPXKYHYOG-VXGBXAGGSA-N 1 3 364.412 0.586 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214855604 855023676 /nfs/dbraw/zinc/02/36/76/855023676.db2.gz HXVZISMSEMLCGI-BMFZPTHFSA-N 1 3 371.547 0.588 20 0 FCADHO C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C1CC1 ZINC001214863409 855025968 /nfs/dbraw/zinc/02/59/68/855025968.db2.gz LVKSXPFYBRCJOE-JKIFEVAISA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861431 855026030 /nfs/dbraw/zinc/02/60/30/855026030.db2.gz UAVJOXOXUGUVEC-GDBMZVCRSA-N 1 3 353.511 0.615 20 0 FCADHO CC(C)CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413600 855112289 /nfs/dbraw/zinc/11/22/89/855112289.db2.gz ISJROFGBRHHBGQ-OWCLPIDISA-N 1 3 352.523 0.925 20 0 FCADHO C[C@H](NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C1CC1 ZINC001215413799 855112361 /nfs/dbraw/zinc/11/23/61/855112361.db2.gz NOSYKEIGPWEKHC-IJEWVQPXSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccco1 ZINC001215463432 855118165 /nfs/dbraw/zinc/11/81/65/855118165.db2.gz WTIUBIXGFXJNLP-RBSFLKMASA-N 1 3 350.463 0.845 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001215463309 855118292 /nfs/dbraw/zinc/11/82/92/855118292.db2.gz QWGWOHYGGVTDRY-VXGBXAGGSA-N 1 3 352.401 0.395 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001215536046 855125342 /nfs/dbraw/zinc/12/53/42/855125342.db2.gz FOEYHVGVYTWYTD-HLLBOEOZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001215539984 855126460 /nfs/dbraw/zinc/12/64/60/855126460.db2.gz FWRHEGGMUUHRKA-BZUAXINKSA-N 1 3 371.547 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001215568063 855128995 /nfs/dbraw/zinc/12/89/95/855128995.db2.gz KTLAPLIDLKTILL-HUUCEWRRSA-N 1 3 353.511 0.426 20 0 FCADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215778412 855144711 /nfs/dbraw/zinc/14/47/11/855144711.db2.gz KDJPQTHRWPPIEX-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001216225167 855180481 /nfs/dbraw/zinc/18/04/81/855180481.db2.gz AVZKPSVGWMAXAQ-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCO[C@H](C)C2)C1 ZINC001216225167 855180485 /nfs/dbraw/zinc/18/04/85/855180485.db2.gz AVZKPSVGWMAXAQ-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001216382834 855196484 /nfs/dbraw/zinc/19/64/84/855196484.db2.gz DNYLRNVFFZAACQ-DJIMGWMZSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001216382834 855196487 /nfs/dbraw/zinc/19/64/87/855196487.db2.gz DNYLRNVFFZAACQ-DJIMGWMZSA-N 1 3 350.507 0.681 20 0 FCADHO COc1cccc(CN[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216401082 855199556 /nfs/dbraw/zinc/19/95/56/855199556.db2.gz GLYAFWCXKXBWTF-GDBMZVCRSA-N 1 3 350.463 0.605 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001216503649 855208685 /nfs/dbraw/zinc/20/86/85/855208685.db2.gz TZPXEYBSJFSISA-GDBMZVCRSA-N 1 3 350.463 0.674 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216511342 855209609 /nfs/dbraw/zinc/20/96/09/855209609.db2.gz OHCICSZGAYOIQB-HUUCEWRRSA-N 1 3 355.527 0.862 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001216511388 855209800 /nfs/dbraw/zinc/20/98/00/855209800.db2.gz QLDLHJMLNIQJBH-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001216752397 855231953 /nfs/dbraw/zinc/23/19/53/855231953.db2.gz NIUSSJXEKCZLAK-FRRDWIJNSA-N 1 3 364.412 0.395 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001216752397 855231961 /nfs/dbraw/zinc/23/19/61/855231961.db2.gz NIUSSJXEKCZLAK-FRRDWIJNSA-N 1 3 364.412 0.395 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216754457 855232787 /nfs/dbraw/zinc/23/27/87/855232787.db2.gz VPIMUOJGLYLLLQ-GRYCIOLGSA-N 1 3 350.385 0.053 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216754457 855232790 /nfs/dbraw/zinc/23/27/90/855232790.db2.gz VPIMUOJGLYLLLQ-GRYCIOLGSA-N 1 3 350.385 0.053 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2CC[NH2+][C@H]2C1 ZINC001218249858 855409647 /nfs/dbraw/zinc/40/96/47/855409647.db2.gz ZYFMIDGABXMQOW-MXWKQRLJSA-N 1 3 350.419 0.280 20 0 FCADHO N[C@@H]1C[NH2+][C@H](C(=O)Nc2nccc(Cl)c2I)C1 ZINC001218529646 855435348 /nfs/dbraw/zinc/43/53/48/855435348.db2.gz MBHAUFRPHLJEEW-FSPLSTOPSA-N 1 3 366.590 0.967 20 0 FCADHO O=C(Nc1cccn2c(Br)cnc12)[C@H]1C[NH2+]CC12CNC2 ZINC001218566631 855441862 /nfs/dbraw/zinc/44/18/62/855441862.db2.gz FOTHXDUDUGFNFX-SECBINFHSA-N 1 3 350.220 0.844 20 0 FCADHO CCOc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cnc1Br ZINC001218580174 855443549 /nfs/dbraw/zinc/44/35/49/855443549.db2.gz XVUMZQWXYRMOGS-JTQLQIEISA-N 1 3 355.236 0.990 20 0 FCADHO CC(C)(C)[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218776454 855478550 /nfs/dbraw/zinc/47/85/50/855478550.db2.gz KZJJNYFLYJKGJE-SCVCMEIPSA-N 1 3 370.885 0.003 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218982956 855506630 /nfs/dbraw/zinc/50/66/30/855506630.db2.gz GUCTVCIZJVNWJZ-OAHLLOKOSA-N 1 3 354.476 0.617 20 0 FCADHO N[C@@H](C(=O)NC1CCN(c2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001219565956 855717191 /nfs/dbraw/zinc/71/71/91/855717191.db2.gz QPQICCDWKMLLGU-OAHLLOKOSA-N 1 3 352.870 0.542 20 0 FCADHO Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])s1 ZINC001219595821 855725395 /nfs/dbraw/zinc/72/53/95/855725395.db2.gz RLXMNCASPAFYLI-KBPBESRZSA-N 1 3 353.492 0.515 20 0 FCADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)CNCC2 ZINC001219843922 855843146 /nfs/dbraw/zinc/84/31/46/855843146.db2.gz FSCDXABSJBPGMI-PXAZEXFGSA-N 1 3 351.472 0.519 20 0 FCADHO [NH3+][C@H]1CCCN([C@@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)c2ccsc2)C1 ZINC001219847566 855844289 /nfs/dbraw/zinc/84/42/89/855844289.db2.gz KVXJLIILANKMTL-SMLCLMEVSA-N 1 3 364.515 0.848 20 0 FCADHO [NH3+][C@@H]1CCCN([C@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)c2ccsc2)C1 ZINC001219847564 855844521 /nfs/dbraw/zinc/84/45/21/855844521.db2.gz KVXJLIILANKMTL-JSRQGNBESA-N 1 3 364.515 0.848 20 0 FCADHO C[C@H](O)CCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919737 855878510 /nfs/dbraw/zinc/87/85/10/855878510.db2.gz LBNNTDMNKHXBMP-UAGQMJEPSA-N 1 3 350.463 0.230 20 0 FCADHO C[C@@H](O)CCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919736 855878667 /nfs/dbraw/zinc/87/86/67/855878667.db2.gz LBNNTDMNKHXBMP-OIISXLGYSA-N 1 3 350.463 0.230 20 0 FCADHO CC(C)(C)OC(=O)C1(NC(=O)[C@@H](N)Cc2c[nH]cn2)CCC([NH3+])CC1 ZINC001220039841 855929536 /nfs/dbraw/zinc/92/95/36/855929536.db2.gz VNHRWJZJUPYLQG-XKZABGERSA-N 1 3 351.451 0.378 20 0 FCADHO CC(C)(C)OC(=O)C1(NC(=O)[C@@H](N)Cc2cnc[nH]2)CCC([NH3+])CC1 ZINC001220039841 855929541 /nfs/dbraw/zinc/92/95/41/855929541.db2.gz VNHRWJZJUPYLQG-XKZABGERSA-N 1 3 351.451 0.378 20 0 FCADHO O=C(NCC1CC[NH+](C2CCCCC2)CC1)[C@@H]1COC2(CNC2)CN1 ZINC001220258670 856033632 /nfs/dbraw/zinc/03/36/32/856033632.db2.gz PIWJZCGJEFFHAF-KRWDZBQOSA-N 1 3 350.507 0.478 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1cnn(C)c1 ZINC001220308188 856056969 /nfs/dbraw/zinc/05/69/69/856056969.db2.gz GFIBVTDRBQJJBX-QEJZJMRPSA-N 1 3 350.467 0.045 20 0 FCADHO CC(C)CCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517073 856163438 /nfs/dbraw/zinc/16/34/38/856163438.db2.gz UTHBPOVSUXOFIP-SJORKVTESA-N 1 3 351.495 0.656 20 0 FCADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611428 856205456 /nfs/dbraw/zinc/20/54/56/856205456.db2.gz XFGWKKZHTMMKOI-XXRNEEKGSA-N 1 3 362.293 0.661 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001220768220 856289037 /nfs/dbraw/zinc/28/90/37/856289037.db2.gz AVWCKSIQHZTRFL-CABCVRRESA-N 1 3 363.449 0.551 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220803136 856308449 /nfs/dbraw/zinc/30/84/49/856308449.db2.gz CEHGGWXRAQXXEZ-FIQHERPVSA-N 1 3 352.401 0.521 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001220923316 856377340 /nfs/dbraw/zinc/37/73/40/856377340.db2.gz DXYLUSYKSJXNLA-INIZCTEOSA-N 1 3 350.438 0.860 20 0 FCADHO C[S@](=O)CC[C@H](N)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976709 856403950 /nfs/dbraw/zinc/40/39/50/856403950.db2.gz LCJNLPOEBOHMCI-LMKMVOKYSA-N 1 3 369.506 0.950 20 0 FCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001220994392 856413722 /nfs/dbraw/zinc/41/37/22/856413722.db2.gz OQEJINYEGIIGTF-KURKYZTESA-N 1 3 353.507 0.983 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221154693 856488307 /nfs/dbraw/zinc/48/83/07/856488307.db2.gz AYYUSWPZCKROFE-HNNXBMFYSA-N 1 3 354.476 0.299 20 0 FCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CSCc1ccc(OC)cc1 ZINC001221190522 856508522 /nfs/dbraw/zinc/50/85/22/856508522.db2.gz QSHXRIPINNGCBT-GJZGRUSLSA-N 1 3 369.487 0.652 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnn(C)c(=O)c1Br ZINC001221401894 856558773 /nfs/dbraw/zinc/55/87/73/856558773.db2.gz QUAGPEQURHFSRW-JTQLQIEISA-N 1 3 374.283 0.977 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407868 856560791 /nfs/dbraw/zinc/56/07/91/856560791.db2.gz FFUDXPCSXUVKOY-QPSCCSFWSA-N 1 3 354.495 0.532 20 0 FCADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407868 856560793 /nfs/dbraw/zinc/56/07/93/856560793.db2.gz FFUDXPCSXUVKOY-QPSCCSFWSA-N 1 3 354.495 0.532 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221642649 856636428 /nfs/dbraw/zinc/63/64/28/856636428.db2.gz BXQYDMNJTUGIGV-BRWVUGGUSA-N 1 3 351.491 0.402 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222788774 856872389 /nfs/dbraw/zinc/87/23/89/856872389.db2.gz ARSUGEGIMZHCDP-IKGGRYGDSA-N 1 3 359.486 0.598 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222788774 856872401 /nfs/dbraw/zinc/87/24/01/856872401.db2.gz ARSUGEGIMZHCDP-IKGGRYGDSA-N 1 3 359.486 0.598 20 0 FCADHO O=C(N1CC[C@H]2CCN(CCOCCO)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001223057843 856892824 /nfs/dbraw/zinc/89/28/24/856892824.db2.gz CGQPPFNAHRKDAL-SJORKVTESA-N 1 3 351.491 0.547 20 0 FCADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001223392810 856913210 /nfs/dbraw/zinc/91/32/10/856913210.db2.gz DHIWDIBVDDYLQA-CVEARBPZSA-N 1 3 351.495 0.276 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226615572 857115119 /nfs/dbraw/zinc/11/51/19/857115119.db2.gz YHLQUHJSSJQQHR-MGPQQGTHSA-N 1 3 353.467 0.073 20 0 FCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O)C1CC1 ZINC001226800854 857126705 /nfs/dbraw/zinc/12/67/05/857126705.db2.gz OXWAYKAESAHNEM-NUJGCVRESA-N 1 3 350.507 0.966 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCNC(C)=O)N(C)C ZINC001227057554 857139519 /nfs/dbraw/zinc/13/95/19/857139519.db2.gz VBDLSPXAPXABAX-BRWVUGGUSA-N 1 3 356.511 0.496 20 0 FCADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H](C1CC1)N1CCCC1 ZINC001227704019 857170765 /nfs/dbraw/zinc/17/07/65/857170765.db2.gz QPUIRHYGWITDCE-KZNAEPCWSA-N 1 3 353.507 0.887 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001228661107 857221107 /nfs/dbraw/zinc/22/11/07/857221107.db2.gz NRPJASPBGHIRTC-KFWWJZLASA-N 1 3 362.540 0.235 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001228661885 857221399 /nfs/dbraw/zinc/22/13/99/857221399.db2.gz ZDOSYJKVNUJFGJ-OAGGEKHMSA-N 1 3 354.495 0.202 20 0 FCADHO N[C@H]1NC(CN(CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385760 857440734 /nfs/dbraw/zinc/44/07/34/857440734.db2.gz FZGFSKRVWRAMEY-KRWDZBQOSA-N 1 3 355.552 0.430 20 0 FCADHO COC(=O)c1ccc(OC)c(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238878564 857485577 /nfs/dbraw/zinc/48/55/77/857485577.db2.gz HZZMKBXZMSMDMC-UHFFFAOYSA-N 1 3 359.448 0.089 20 0 FCADHO COc1ncc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1Br ZINC001247851998 857617789 /nfs/dbraw/zinc/61/77/89/857617789.db2.gz POSXKYKIXPMFMK-UHFFFAOYSA-N 1 3 366.219 0.963 20 0 FCADHO COCCN1CCOC[C@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001249834149 857651404 /nfs/dbraw/zinc/65/14/04/857651404.db2.gz IIRUVMSBZAWEDV-QGZVFWFLSA-N 1 3 358.552 0.483 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185134 857870415 /nfs/dbraw/zinc/87/04/15/857870415.db2.gz CTYGLQDISCENHE-QGZVFWFLSA-N 1 3 354.539 0.708 20 0 FCADHO CCN(CC)C[C@@H](O)C[N@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001253185134 857870417 /nfs/dbraw/zinc/87/04/17/857870417.db2.gz CTYGLQDISCENHE-QGZVFWFLSA-N 1 3 354.539 0.708 20 0 FCADHO CCN(CC)C[C@@H](O)C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253202094 857871735 /nfs/dbraw/zinc/87/17/35/857871735.db2.gz DHHZHXPQNOCQFL-INIZCTEOSA-N 1 3 358.527 0.831 20 0 FCADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001253409160 857887641 /nfs/dbraw/zinc/88/76/41/857887641.db2.gz QCEABHPLMAHGLE-KRWDZBQOSA-N 1 3 354.539 0.802 20 0 FCADHO O=C(Cn1cc(Cl)cn1)N1C[C@H]2CN(CC3CC[NH2+]CC3)C[C@@H](C1)O2 ZINC001279616171 862982356 /nfs/dbraw/zinc/98/23/56/862982356.db2.gz WYVGCICWDTXMGR-IYBDPMFKSA-N 1 3 367.881 0.448 20 0 FCADHO CCC[NH+]1CCC(N2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001258777849 858210713 /nfs/dbraw/zinc/21/07/13/858210713.db2.gz KLKREQPXNZNUKF-QGZVFWFLSA-N 1 3 350.507 0.729 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](S(N)(=O)=O)C3)CC2)CC1 ZINC001261551244 858590070 /nfs/dbraw/zinc/59/00/70/858590070.db2.gz BZMZYJIONJOUNJ-MRXNPFEDSA-N 1 3 372.535 0.072 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccccc2F)CC1=O ZINC001262574514 859004567 /nfs/dbraw/zinc/00/45/67/859004567.db2.gz UNWWVGQLZLCHKI-PBHICJAKSA-N 1 3 353.438 0.628 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001264545776 859381805 /nfs/dbraw/zinc/38/18/05/859381805.db2.gz ZVYSDKSESMGIEN-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CC[NH+]1CCC(C(=O)N2CCC[C@]23CCN(CCN(C)C)C3=O)CC1 ZINC001270237730 859695891 /nfs/dbraw/zinc/69/58/91/859695891.db2.gz QFXRAMFAYKBUQJ-LJQANCHMSA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272831550 860275495 /nfs/dbraw/zinc/27/54/95/860275495.db2.gz NRLRYXSRMAOJIZ-QFBILLFUSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@H](C(=O)N1CCC2(CCN(CC(=O)N(C)C)C2)CC1)[NH+]1CCCC1 ZINC001273503861 860510390 /nfs/dbraw/zinc/51/03/90/860510390.db2.gz QFELTPHJKXACTJ-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001273512704 860515390 /nfs/dbraw/zinc/51/53/90/860515390.db2.gz WWTFWMXONICLGD-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001273512704 860515399 /nfs/dbraw/zinc/51/53/99/860515399.db2.gz WWTFWMXONICLGD-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1 ZINC001274909035 860869577 /nfs/dbraw/zinc/86/95/77/860869577.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1 ZINC001274909035 860869579 /nfs/dbraw/zinc/86/95/79/860869579.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 1 3 352.523 0.318 20 0 FCADHO CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001274909035 860869580 /nfs/dbraw/zinc/86/95/80/860869580.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 1 3 352.523 0.318 20 0 FCADHO CCNC(=O)CN1C[C@]2(CC[N@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275508497 861115132 /nfs/dbraw/zinc/11/51/32/861115132.db2.gz UZKXIFRTPIOCCR-GOSISDBHSA-N 1 3 354.495 0.014 20 0 FCADHO CCNC(=O)CN1C[C@]2(CC[N@@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275508497 861115139 /nfs/dbraw/zinc/11/51/39/861115139.db2.gz UZKXIFRTPIOCCR-GOSISDBHSA-N 1 3 354.495 0.014 20 0 FCADHO CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2CN(C[C@H]3CCOC3)C[C@H]12 ZINC001279894464 863121304 /nfs/dbraw/zinc/12/13/04/863121304.db2.gz QYYUKTOCRBNJQO-OWCLPIDISA-N 1 3 352.479 0.510 20 0 FCADHO C[NH+](C)CCNC(=S)N1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001279975648 863161860 /nfs/dbraw/zinc/16/18/60/863161860.db2.gz NKIUOWWGJUBABD-UHFFFAOYSA-N 1 3 350.536 0.717 20 0 FCADHO CN(C)C(=O)CN1CCCC2(CCN(C(=S)NCC[NH+](C)C)CC2)C1 ZINC001279975987 863162063 /nfs/dbraw/zinc/16/20/63/863162063.db2.gz VZSJGDYFGZIQRS-UHFFFAOYSA-N 1 3 369.579 0.689 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2CC23CN(CC2COC(C)(C)OC2)C3)CC1 ZINC001280127920 863278502 /nfs/dbraw/zinc/27/85/02/863278502.db2.gz XXLYGJHCCUCMMP-MRXNPFEDSA-N 1 3 351.491 0.918 20 0 FCADHO CC[NH+]1CCC(CN2C[C@@H]3C(C(=O)N(C)CCOC)=NO[C@@H]3C2)CC1 ZINC001280254898 863362101 /nfs/dbraw/zinc/36/21/01/863362101.db2.gz CXWQRNDOYOTEQA-JKSUJKDBSA-N 1 3 352.479 0.510 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257154 863365036 /nfs/dbraw/zinc/36/50/36/863365036.db2.gz GJWYJCLEYBDPTQ-HPBDAGMYSA-N 1 3 351.491 0.570 20 0 FCADHO C[N@H+]1CCC[C@H](CN2C[C@H]3C[C@H](CC(=O)NCC4COC4)O[C@H]3C2)C1 ZINC001280257154 863365041 /nfs/dbraw/zinc/36/50/41/863365041.db2.gz GJWYJCLEYBDPTQ-HPBDAGMYSA-N 1 3 351.491 0.570 20 0 FCADHO COCCN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259061 863366743 /nfs/dbraw/zinc/36/67/43/863366743.db2.gz VODKAOHTIQIKHI-MLHJIOFPSA-N 1 3 353.507 0.912 20 0 FCADHO COCCN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001280259061 863366753 /nfs/dbraw/zinc/36/67/53/863366753.db2.gz VODKAOHTIQIKHI-MLHJIOFPSA-N 1 3 353.507 0.912 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)N(C)C ZINC001281851568 863824508 /nfs/dbraw/zinc/82/45/08/863824508.db2.gz CZYCEWNKADOHEE-QLFBSQMISA-N 1 3 354.495 0.010 20 0 FCADHO CS(=O)(=O)C1(C(=O)Nc2ccc3c(c2)OCCNC3)CC[NH2+]CC1 ZINC001349612604 866393016 /nfs/dbraw/zinc/39/30/16/866393016.db2.gz PWAYZCFQQGFMTQ-UHFFFAOYSA-N 1 3 353.444 0.274 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001350033025 866494868 /nfs/dbraw/zinc/49/48/68/866494868.db2.gz UPVBYTUTGJCUDV-ZIAGYGMSSA-N 1 3 354.495 0.378 20 0 FCADHO CSCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001350297452 866559078 /nfs/dbraw/zinc/55/90/78/866559078.db2.gz XGGGHULNVLGSPX-UHFFFAOYSA-N 1 3 364.515 0.575 20 0 FCADHO C[C@H]1CN(CCCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC001357365668 868105621 /nfs/dbraw/zinc/10/56/21/868105621.db2.gz CNYGYBGQPDATRN-GJZGRUSLSA-N 1 3 352.479 0.891 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001325346092 869858941 /nfs/dbraw/zinc/85/89/41/869858941.db2.gz LNJSGQUMRKVBSW-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(=O)NCCF ZINC001327047350 870635291 /nfs/dbraw/zinc/63/52/91/870635291.db2.gz UPNQZMYXWSUGKC-CYBMUJFWSA-N 1 3 357.474 0.318 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCCCC1 ZINC001327391778 870835255 /nfs/dbraw/zinc/83/52/55/870835255.db2.gz NIVQMZMFEYWPCH-KXBFYZLASA-N 1 3 350.507 0.955 20 0 FCADHO Cc1ccsc1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001327403187 870844810 /nfs/dbraw/zinc/84/48/10/870844810.db2.gz UJEFEWHTDDBAAK-UHFFFAOYSA-N 1 3 354.520 0.667 20 0 FCADHO C[NH+](C)C[C@](C)(O)CNC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289646 871753445 /nfs/dbraw/zinc/75/34/45/871753445.db2.gz WWLZQIBNZQXHKV-CRAIPNDOSA-N 1 3 359.511 0.897 20 0 FCADHO C[NH+](C)C[C@@](C)(O)CNC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001346289649 871754013 /nfs/dbraw/zinc/75/40/13/871754013.db2.gz WWLZQIBNZQXHKV-YJBOKZPZSA-N 1 3 359.511 0.897 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001348128457 872604023 /nfs/dbraw/zinc/60/40/23/872604023.db2.gz ODNBFKDBCGFWKE-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001348128457 872604032 /nfs/dbraw/zinc/60/40/32/872604032.db2.gz ODNBFKDBCGFWKE-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC001331375627 873082502 /nfs/dbraw/zinc/08/25/02/873082502.db2.gz QIRHBASHQCTMBP-HNNXBMFYSA-N 1 3 352.479 0.087 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC001331970468 873319828 /nfs/dbraw/zinc/31/98/28/873319828.db2.gz ULFHIDOPIYZKKN-BHYGNILZSA-N 1 3 367.515 0.775 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574955851 949571133 /nfs/dbraw/zinc/57/11/33/949571133.db2.gz GAXXRULCKHOZMQ-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574955851 949571148 /nfs/dbraw/zinc/57/11/48/949571148.db2.gz GAXXRULCKHOZMQ-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574955851 949571166 /nfs/dbraw/zinc/57/11/66/949571166.db2.gz GAXXRULCKHOZMQ-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574955851 949571172 /nfs/dbraw/zinc/57/11/72/949571172.db2.gz GAXXRULCKHOZMQ-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713108 949596763 /nfs/dbraw/zinc/59/67/63/949596763.db2.gz VYDRWWMHNCWHNE-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574713108 949596779 /nfs/dbraw/zinc/59/67/79/949596779.db2.gz VYDRWWMHNCWHNE-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713108 949596799 /nfs/dbraw/zinc/59/67/99/949596799.db2.gz VYDRWWMHNCWHNE-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574713108 949596814 /nfs/dbraw/zinc/59/68/14/949596814.db2.gz VYDRWWMHNCWHNE-XJKSGUPXSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113769 951945070 /nfs/dbraw/zinc/94/50/70/951945070.db2.gz FXCYNMVULDIFAO-UKRRQHHQSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113769 951945073 /nfs/dbraw/zinc/94/50/73/951945073.db2.gz FXCYNMVULDIFAO-UKRRQHHQSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113769 951945078 /nfs/dbraw/zinc/94/50/78/951945078.db2.gz FXCYNMVULDIFAO-UKRRQHHQSA-N 1 3 357.462 0.660 20 0 FCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113769 951945087 /nfs/dbraw/zinc/94/50/87/951945087.db2.gz FXCYNMVULDIFAO-UKRRQHHQSA-N 1 3 357.462 0.660 20 0 FCADHO CN(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000291900617 214063499 /nfs/dbraw/zinc/06/34/99/214063499.db2.gz PVOZGGKYHHECMI-RDJZCZTQSA-N 1 3 364.465 0.955 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000331562852 215016128 /nfs/dbraw/zinc/01/61/28/215016128.db2.gz SKKUKRAWWWLETD-RKVPGOIHSA-N 1 3 368.547 0.483 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000331562852 215016130 /nfs/dbraw/zinc/01/61/30/215016130.db2.gz SKKUKRAWWWLETD-RKVPGOIHSA-N 1 3 368.547 0.483 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000331581970 215019099 /nfs/dbraw/zinc/01/90/99/215019099.db2.gz FUBDMSVYUDQTNJ-HLLBOEOZSA-N 1 3 366.506 0.284 20 0 FCADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331649099 215029169 /nfs/dbraw/zinc/02/91/69/215029169.db2.gz QUSDALGFYDOMRC-HZPDHXFCSA-N 1 3 351.495 0.454 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331860139 215057914 /nfs/dbraw/zinc/05/79/14/215057914.db2.gz BFQOXSXYKXLTLX-JJXSEGSLSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1=CC[N@@H+](C)CC1 ZINC000332885074 215216506 /nfs/dbraw/zinc/21/65/06/215216506.db2.gz QSJQLLSRMTWDNP-WBVHZDCISA-N 1 3 363.506 0.585 20 0 FCADHO CCC(=O)N1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000333392942 215275185 /nfs/dbraw/zinc/27/51/85/215275185.db2.gz MKJMEFUCHWMALB-UHFFFAOYSA-N 1 3 351.495 0.766 20 0 FCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406132 215276114 /nfs/dbraw/zinc/27/61/14/215276114.db2.gz ZICGCLIMXDCUBJ-HZPDHXFCSA-N 1 3 359.478 0.977 20 0 FCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333406132 215276118 /nfs/dbraw/zinc/27/61/18/215276118.db2.gz ZICGCLIMXDCUBJ-HZPDHXFCSA-N 1 3 359.478 0.977 20 0 FCADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000333618508 215301651 /nfs/dbraw/zinc/30/16/51/215301651.db2.gz RIHQFWFSOZTGRT-BZUAXINKSA-N 1 3 350.507 0.871 20 0 FCADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644634 215305163 /nfs/dbraw/zinc/30/51/63/215305163.db2.gz XXOVHPKISNXSOQ-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000333694446 215309173 /nfs/dbraw/zinc/30/91/73/215309173.db2.gz QAYPXUBIOJAYDW-QZTJIDSGSA-N 1 3 372.517 0.987 20 0 FCADHO CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333761724 215316768 /nfs/dbraw/zinc/31/67/68/215316768.db2.gz APKSEBRKBKZBDK-JZXOWHBKSA-N 1 3 365.522 0.759 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333871753 215326846 /nfs/dbraw/zinc/32/68/46/215326846.db2.gz BVBHKTGXGHBNNK-YESZJQIVSA-N 1 3 365.522 0.570 20 0 FCADHO CN1CCC(CNC(=O)NC(C)(C)C[NH+](C)C)(N2CCOCC2)CC1 ZINC000413630143 237366573 /nfs/dbraw/zinc/36/65/73/237366573.db2.gz UFWZJAHQVRCSKQ-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)CN3)c2)C1 ZINC000188757951 209238667 /nfs/dbraw/zinc/23/86/67/209238667.db2.gz XNAVSTCWFOCRQF-YESZJQIVSA-N 1 3 362.449 0.700 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3C[C@H](F)CN3)c2)C1 ZINC000188757951 209238665 /nfs/dbraw/zinc/23/86/65/209238665.db2.gz XNAVSTCWFOCRQF-YESZJQIVSA-N 1 3 362.449 0.700 20 0 FCADHO C[C@@H](O)C[N@@H+](Cc1ccccc1CN(C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188041 /nfs/dbraw/zinc/18/80/41/212188041.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 1 3 368.518 0.814 20 0 FCADHO C[C@@H](O)C[N@H+](Cc1ccccc1CN(C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188045 /nfs/dbraw/zinc/18/80/45/212188045.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 1 3 368.518 0.814 20 0 FCADHO C[C@@H](O)CN(Cc1ccccc1C[N@H+](C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188032 /nfs/dbraw/zinc/18/80/32/212188032.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 1 3 368.518 0.814 20 0 FCADHO C[C@@H](O)CN(Cc1ccccc1C[N@@H+](C[C@H](C)O)[C@H](C)CO)[C@H](C)CO ZINC000276216398 212188037 /nfs/dbraw/zinc/18/80/37/212188037.db2.gz PSPSBSZLYZIIIR-TVFCKZIOSA-N 1 3 368.518 0.814 20 0 FCADHO COc1cc(CNC[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000414885485 245329181 /nfs/dbraw/zinc/32/91/81/245329181.db2.gz WZIVKAPYXDFDRP-AWEZNQCLSA-N 1 3 351.447 0.617 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414954523 245336611 /nfs/dbraw/zinc/33/66/11/245336611.db2.gz LIYQITMXISPMEB-BLLLJJGKSA-N 1 3 358.442 0.706 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415312708 245384928 /nfs/dbraw/zinc/38/49/28/245384928.db2.gz GVXYVSUUZIWKJA-SFHVURJKSA-N 1 3 373.501 0.631 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000415329804 245387795 /nfs/dbraw/zinc/38/77/95/245387795.db2.gz NKADFLNDKCRCRB-KRWDZBQOSA-N 1 3 359.474 0.241 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000415352298 245396678 /nfs/dbraw/zinc/39/66/78/245396678.db2.gz KFLOPFMXYQSGEP-INIZCTEOSA-N 1 3 359.474 0.322 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076090 209157096 /nfs/dbraw/zinc/15/70/96/209157096.db2.gz LIMCNEXFEXBUOA-FUHWJXTLSA-N 1 3 352.523 0.772 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076090 209157098 /nfs/dbraw/zinc/15/70/98/209157098.db2.gz LIMCNEXFEXBUOA-FUHWJXTLSA-N 1 3 352.523 0.772 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1=O ZINC000374918554 217190437 /nfs/dbraw/zinc/19/04/37/217190437.db2.gz SJNCZQOETVMBIZ-TVFCKZIOSA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1=O ZINC000374918554 217190439 /nfs/dbraw/zinc/19/04/39/217190439.db2.gz SJNCZQOETVMBIZ-TVFCKZIOSA-N 1 3 362.518 0.872 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891233 209153385 /nfs/dbraw/zinc/15/33/85/209153385.db2.gz KPAZKKJJVWYXDS-AWEZNQCLSA-N 1 3 350.467 0.660 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nccn(C)c1=O ZINC000183891233 209153387 /nfs/dbraw/zinc/15/33/87/209153387.db2.gz KPAZKKJJVWYXDS-AWEZNQCLSA-N 1 3 350.467 0.660 20 0 FCADHO C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000417524419 245705131 /nfs/dbraw/zinc/70/51/31/245705131.db2.gz JLBHBTMQSJWJNS-QGZVFWFLSA-N 1 3 350.463 0.457 20 0 FCADHO CCN1CCN(C(=O)[C@@H](C)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889336 217330652 /nfs/dbraw/zinc/33/06/52/217330652.db2.gz JOQYAXVRNKVSCG-RTBURBONSA-N 1 3 365.566 0.639 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375961363 217338456 /nfs/dbraw/zinc/33/84/56/217338456.db2.gz BGDBSNKXNNHGET-QGZVFWFLSA-N 1 3 350.507 0.528 20 0 FCADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000376097886 217356231 /nfs/dbraw/zinc/35/62/31/217356231.db2.gz ORRTWKIUOIKENQ-QGZVFWFLSA-N 1 3 360.506 0.931 20 0 FCADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000376097886 217356234 /nfs/dbraw/zinc/35/62/34/217356234.db2.gz ORRTWKIUOIKENQ-QGZVFWFLSA-N 1 3 360.506 0.931 20 0 FCADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000376097885 217356268 /nfs/dbraw/zinc/35/62/68/217356268.db2.gz ORRTWKIUOIKENQ-KRWDZBQOSA-N 1 3 360.506 0.931 20 0 FCADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000376097885 217356271 /nfs/dbraw/zinc/35/62/71/217356271.db2.gz ORRTWKIUOIKENQ-KRWDZBQOSA-N 1 3 360.506 0.931 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000376403981 217394189 /nfs/dbraw/zinc/39/41/89/217394189.db2.gz SMJFBRRJXLKTLD-OAHLLOKOSA-N 1 3 363.510 0.108 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](CN)C1 ZINC000418939051 245918054 /nfs/dbraw/zinc/91/80/54/245918054.db2.gz QJHWBFRAMSTTIX-IRXDYDNUSA-N 1 3 368.522 0.724 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419158833 246024858 /nfs/dbraw/zinc/02/48/58/246024858.db2.gz YLBIVIZUEVAFBG-INIZCTEOSA-N 1 3 362.474 0.583 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419130985 246006304 /nfs/dbraw/zinc/00/63/04/246006304.db2.gz BSHCHRBKPGSIFF-MRXNPFEDSA-N 1 3 362.474 0.454 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419165478 246028825 /nfs/dbraw/zinc/02/88/25/246028825.db2.gz GLIYTFVIMNWTKV-HZPDHXFCSA-N 1 3 354.495 0.252 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419194720 246045695 /nfs/dbraw/zinc/04/56/95/246045695.db2.gz TXGPLXAFBFNNPS-SFHVURJKSA-N 1 3 358.486 0.944 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419215887 246060383 /nfs/dbraw/zinc/06/03/83/246060383.db2.gz OKCZZHRAOSJTGD-IRXDYDNUSA-N 1 3 374.485 0.311 20 0 FCADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419224941 246065788 /nfs/dbraw/zinc/06/57/88/246065788.db2.gz GFMKPSSWBWHXKG-KRWDZBQOSA-N 1 3 362.518 0.969 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419224467 246065998 /nfs/dbraw/zinc/06/59/98/246065998.db2.gz FMXANBRUTBCMER-PBHICJAKSA-N 1 3 350.507 0.953 20 0 FCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)C[C@@H]21 ZINC000419228624 246068349 /nfs/dbraw/zinc/06/83/49/246068349.db2.gz MOHKARMAIDUCAQ-VSZNYVQBSA-N 1 3 362.518 0.953 20 0 FCADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419235292 246070210 /nfs/dbraw/zinc/07/02/10/246070210.db2.gz YTBGYZWSCZNOPZ-TVFCKZIOSA-N 1 3 362.518 0.871 20 0 FCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235354 246071260 /nfs/dbraw/zinc/07/12/60/246071260.db2.gz YVQALCBVNNIEJG-IAGOWNOFSA-N 1 3 350.507 0.825 20 0 FCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419240221 246074736 /nfs/dbraw/zinc/07/47/36/246074736.db2.gz QYSONUHJHDJJMT-HIFRSBDPSA-N 1 3 354.495 0.596 20 0 FCADHO C[NH+]1CCC(CN[C@H](Cc2ccccc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316472 246095558 /nfs/dbraw/zinc/09/55/58/246095558.db2.gz QGNTYTSQONTTRQ-GOSISDBHSA-N 1 3 360.502 0.469 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000419373042 246122461 /nfs/dbraw/zinc/12/24/61/246122461.db2.gz MAJMHAMATVGDJE-ROUUACIJSA-N 1 3 372.513 0.836 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419374816 246123068 /nfs/dbraw/zinc/12/30/68/246123068.db2.gz PIZMXPYJUHTSIY-QAPCUYQASA-N 1 3 372.513 0.930 20 0 FCADHO CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419412857 246147720 /nfs/dbraw/zinc/14/77/20/246147720.db2.gz DMFGQSBOTAKRBC-QZTJIDSGSA-N 1 3 373.501 0.041 20 0 FCADHO C[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000419418564 246151975 /nfs/dbraw/zinc/15/19/75/246151975.db2.gz IHNLIBIEPQAVRR-QFBILLFUSA-N 1 3 372.513 0.994 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000419528057 246193139 /nfs/dbraw/zinc/19/31/39/246193139.db2.gz VYEXRATZWJCTTF-IAGOWNOFSA-N 1 3 366.506 0.332 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419649264 246229377 /nfs/dbraw/zinc/22/93/77/246229377.db2.gz MYYFRGVXOZOJKY-JEBQAFNWSA-N 1 3 374.460 0.679 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1cccc(F)c1 ZINC000419649264 246229379 /nfs/dbraw/zinc/22/93/79/246229379.db2.gz MYYFRGVXOZOJKY-JEBQAFNWSA-N 1 3 374.460 0.679 20 0 FCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000419664647 246236697 /nfs/dbraw/zinc/23/66/97/246236697.db2.gz MMVMLYKUQFKZOD-CVEARBPZSA-N 1 3 359.474 0.800 20 0 FCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000419667350 246236738 /nfs/dbraw/zinc/23/67/38/246236738.db2.gz RXECUIOLPOAQIV-QGZVFWFLSA-N 1 3 359.474 0.754 20 0 FCADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419678421 246244829 /nfs/dbraw/zinc/24/48/29/246244829.db2.gz DQUBGSTWMUXRQT-CVEARBPZSA-N 1 3 366.506 0.381 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@@H]1C[NH3+] ZINC000419684279 246249074 /nfs/dbraw/zinc/24/90/74/246249074.db2.gz LTBKSUOYWGBFIT-HZPDHXFCSA-N 1 3 366.506 0.333 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000419690889 246252251 /nfs/dbraw/zinc/25/22/51/246252251.db2.gz CZGZJNQHWCKIHS-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CCCC2)CC1 ZINC000419750160 246282438 /nfs/dbraw/zinc/28/24/38/246282438.db2.gz ILBXSHPLVAALFA-OAHLLOKOSA-N 1 3 366.506 0.476 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419754883 246284381 /nfs/dbraw/zinc/28/43/81/246284381.db2.gz BGZXRKIMNWDFFU-OAHLLOKOSA-N 1 3 350.507 0.825 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)CCCC2)CC1 ZINC000419757546 246287207 /nfs/dbraw/zinc/28/72/07/246287207.db2.gz UPVHFQUFBCSVSB-HNNXBMFYSA-N 1 3 366.506 0.394 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C[NH+]1CCCC1 ZINC000419811182 246304118 /nfs/dbraw/zinc/30/41/18/246304118.db2.gz FVMJURIKXUHDLY-BPQIPLTHSA-N 1 3 358.486 0.788 20 0 FCADHO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000419740777 246277321 /nfs/dbraw/zinc/27/73/21/246277321.db2.gz YDHLUUHUZZHUTH-CFVMTHIKSA-N 1 3 352.479 0.349 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419834536 246312393 /nfs/dbraw/zinc/31/23/93/246312393.db2.gz SPRJOPFVERVSCV-IYBDPMFKSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419916375 246368565 /nfs/dbraw/zinc/36/85/65/246368565.db2.gz QPEFBHKFNUBXEK-CQSZACIVSA-N 1 3 352.504 0.754 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C[NH+]1CCCCC1 ZINC000420031900 246425874 /nfs/dbraw/zinc/42/58/74/246425874.db2.gz HMEXOXLTOMLNDU-QLFBSQMISA-N 1 3 354.495 0.454 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134467 246488382 /nfs/dbraw/zinc/48/83/82/246488382.db2.gz USVPXHQPDWSFOS-ZBFHGGJFSA-N 1 3 364.465 0.973 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000423362392 247012265 /nfs/dbraw/zinc/01/22/65/247012265.db2.gz HPYCVITZZLAONI-KBPBESRZSA-N 1 3 352.504 0.834 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCC1 ZINC000423583120 247062425 /nfs/dbraw/zinc/06/24/25/247062425.db2.gz YUQRTBBUEJBRFV-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423437753 247027722 /nfs/dbraw/zinc/02/77/22/247027722.db2.gz GPPWCSXOYZXXMN-RYQLBKOJSA-N 1 3 358.486 0.740 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423437753 247027728 /nfs/dbraw/zinc/02/77/28/247027728.db2.gz GPPWCSXOYZXXMN-RYQLBKOJSA-N 1 3 358.486 0.740 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@H](C)O1 ZINC000423514860 247039792 /nfs/dbraw/zinc/03/97/92/247039792.db2.gz WYGMXVQZTFLRPC-GASCZTMLSA-N 1 3 354.495 0.141 20 0 FCADHO CN(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423775935 247142181 /nfs/dbraw/zinc/14/21/81/247142181.db2.gz PVGBYDQWYMNESS-CABCVRRESA-N 1 3 352.866 0.927 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccco1 ZINC000423713452 247120331 /nfs/dbraw/zinc/12/03/31/247120331.db2.gz VTLJLMDMEBZWTR-MRXNPFEDSA-N 1 3 366.462 0.136 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423726468 247129150 /nfs/dbraw/zinc/12/91/50/247129150.db2.gz UGQNANHFXMRNJP-RBSFLKMASA-N 1 3 354.495 0.140 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423730621 247131036 /nfs/dbraw/zinc/13/10/36/247131036.db2.gz NKEZYHOMOBDMRN-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO [NH3+]C1(CNC(=O)CNC[C@@H]2CCCO2)CCN(Cc2ccccc2)CC1 ZINC000424036945 247162301 /nfs/dbraw/zinc/16/23/01/247162301.db2.gz IFVJZOQEDLNJNR-SFHVURJKSA-N 1 3 360.502 0.865 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492254 247237658 /nfs/dbraw/zinc/23/76/58/247237658.db2.gz HFXSNYZARYDLTI-WZGPROSRSA-N 1 3 370.497 0.915 20 0 FCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424497235 247241894 /nfs/dbraw/zinc/24/18/94/247241894.db2.gz WNTKOLUZOONSEU-WAOWUJCRSA-N 1 3 370.497 0.917 20 0 FCADHO O=C(NC1CC[NH2+]CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424519482 247249003 /nfs/dbraw/zinc/24/90/03/247249003.db2.gz JODNIDWRMQZCKK-FUHWJXTLSA-N 1 3 356.470 0.588 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424451553 247220898 /nfs/dbraw/zinc/22/08/98/247220898.db2.gz DUTNMGAAKFSEDM-DLBZAZTESA-N 1 3 364.494 0.357 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424540024 247255751 /nfs/dbraw/zinc/25/57/51/247255751.db2.gz FYAQBBLEAVSZFX-QXCFHYIPSA-N 1 3 370.497 0.976 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669678 247359859 /nfs/dbraw/zinc/35/98/59/247359859.db2.gz CPBVWOGTJMGUTQ-HRCADAONSA-N 1 3 351.495 0.309 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000425669678 247359860 /nfs/dbraw/zinc/35/98/60/247359860.db2.gz CPBVWOGTJMGUTQ-HRCADAONSA-N 1 3 351.495 0.309 20 0 FCADHO O=C(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)NCCN1CCCCCC1 ZINC000431298775 247762847 /nfs/dbraw/zinc/76/28/47/247762847.db2.gz VAOOLPHEISDUFL-MRXNPFEDSA-N 1 3 365.522 0.762 20 0 FCADHO O=C(CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)NCCN1CCCCCC1 ZINC000431298775 247762852 /nfs/dbraw/zinc/76/28/52/247762852.db2.gz VAOOLPHEISDUFL-MRXNPFEDSA-N 1 3 365.522 0.762 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440981914 248230135 /nfs/dbraw/zinc/23/01/35/248230135.db2.gz KWIJXQXPBDKDFM-UHFFFAOYSA-N 1 3 369.554 0.813 20 0 FCADHO CN1CCN(CCNC(=O)NCC2CC[NH+](CCO)CC2)CC1(C)C ZINC000442168474 248277416 /nfs/dbraw/zinc/27/74/16/248277416.db2.gz VDWSLMDDMXEUII-UHFFFAOYSA-N 1 3 355.527 0.016 20 0 FCADHO CN1CCN(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1(C)C ZINC000442596888 248292305 /nfs/dbraw/zinc/29/23/05/248292305.db2.gz WPCIWIFBVJXRLO-UHFFFAOYSA-N 1 3 368.570 0.338 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452801456 249330891 /nfs/dbraw/zinc/33/08/91/249330891.db2.gz YEJPBBYXKWWCEH-QGZVFWFLSA-N 1 3 353.507 0.985 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452801456 249330894 /nfs/dbraw/zinc/33/08/94/249330894.db2.gz YEJPBBYXKWWCEH-QGZVFWFLSA-N 1 3 353.507 0.985 20 0 FCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471651748 250113356 /nfs/dbraw/zinc/11/33/56/250113356.db2.gz AHXMHYMUKJKXOT-ROUUACIJSA-N 1 3 369.554 0.765 20 0 FCADHO C[C@H]1C(=O)NCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000472117634 250133000 /nfs/dbraw/zinc/13/30/00/250133000.db2.gz KZFGWJKQPYGQJZ-AWEZNQCLSA-N 1 3 351.495 0.465 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932481 250256838 /nfs/dbraw/zinc/25/68/38/250256838.db2.gz MHLWINCUBQMRAL-HUUCEWRRSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1C ZINC000473932481 250256843 /nfs/dbraw/zinc/25/68/43/250256843.db2.gz MHLWINCUBQMRAL-HUUCEWRRSA-N 1 3 351.499 0.934 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000481804350 250362212 /nfs/dbraw/zinc/36/22/12/250362212.db2.gz DYGWZEYIVWARJT-AIANPOQGSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000481804350 250362216 /nfs/dbraw/zinc/36/22/16/250362216.db2.gz DYGWZEYIVWARJT-AIANPOQGSA-N 1 3 350.507 0.822 20 0 FCADHO Cc1cc(=O)n2nc(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)sc2n1 ZINC000106125786 208211280 /nfs/dbraw/zinc/21/12/80/208211280.db2.gz VITOLAUZZLLZGT-ZDUSSCGKSA-N 1 3 365.503 0.984 20 0 FCADHO CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000119290127 208358725 /nfs/dbraw/zinc/35/87/25/208358725.db2.gz GKFGCRBCJVQBEQ-KRWDZBQOSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000176410104 209003272 /nfs/dbraw/zinc/00/32/72/209003272.db2.gz PYKVKSXITLLEKH-QGZVFWFLSA-N 1 3 367.538 0.376 20 0 FCADHO NC[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000179032675 209069384 /nfs/dbraw/zinc/06/93/84/209069384.db2.gz KEYSQRDLTMYUNZ-SZMVWBNQSA-N 1 3 358.486 0.836 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410433133 230077604 /nfs/dbraw/zinc/07/76/04/230077604.db2.gz KZKSSHSVCPVOTI-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000410433133 230077606 /nfs/dbraw/zinc/07/76/06/230077606.db2.gz KZKSSHSVCPVOTI-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410436037 230079256 /nfs/dbraw/zinc/07/92/56/230079256.db2.gz RABCMKLQINGISP-INIZCTEOSA-N 1 3 368.522 0.498 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)C[C@H]21 ZINC000410774478 230242702 /nfs/dbraw/zinc/24/27/02/230242702.db2.gz YTORCZUWOZFHIW-DLBZAZTESA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000515410805 484488950 /nfs/dbraw/zinc/48/89/50/484488950.db2.gz QTMLLDAOOSMPGA-CQSZACIVSA-N 1 3 362.478 0.546 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287659286 488891763 /nfs/dbraw/zinc/89/17/63/488891763.db2.gz HCFWOMRBGKGPSI-UHFFFAOYSA-N 1 3 350.463 0.770 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278956729 488907469 /nfs/dbraw/zinc/90/74/69/488907469.db2.gz HQHVHCDSZMUOPD-AWEZNQCLSA-N 1 3 362.478 0.113 20 0 FCADHO Cc1cn(C)c(CC(=O)NC[C@H](C)[NH+](C)C)c1C(=O)NC[C@H](C)N(C)C ZINC000279633430 488958174 /nfs/dbraw/zinc/95/81/74/488958174.db2.gz ZLUMUOPWXXSHDV-GJZGRUSLSA-N 1 3 365.522 0.622 20 0 FCADHO Cc1cn(C)c(CC(=O)NC[C@H](C)N(C)C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000279633430 488958179 /nfs/dbraw/zinc/95/81/79/488958179.db2.gz ZLUMUOPWXXSHDV-GJZGRUSLSA-N 1 3 365.522 0.622 20 0 FCADHO CCCNC(=O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777732 488146231 /nfs/dbraw/zinc/14/62/31/488146231.db2.gz ATSPSPRQPYLTBP-UHFFFAOYSA-N 1 3 353.511 0.761 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000554321712 491194026 /nfs/dbraw/zinc/19/40/26/491194026.db2.gz KQRJYJGYIGSDII-KRWDZBQOSA-N 1 3 360.502 0.784 20 0 FCADHO O=C(CN1CCC[C@H](CN2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069805364 488374076 /nfs/dbraw/zinc/37/40/76/488374076.db2.gz HDFMVHYSZFBZAW-QGZVFWFLSA-N 1 3 364.534 0.774 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1=O ZINC000074315935 488390499 /nfs/dbraw/zinc/39/04/99/488390499.db2.gz BROQIMZNGVPOQN-SJORKVTESA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1=O ZINC000074315935 488390502 /nfs/dbraw/zinc/39/05/02/488390502.db2.gz BROQIMZNGVPOQN-SJORKVTESA-N 1 3 350.507 0.587 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CSc2nnnn2CCN(C)C)CC1 ZINC000074392813 488391641 /nfs/dbraw/zinc/39/16/41/488391641.db2.gz MKVFQRRUYBQCCM-UHFFFAOYSA-N 1 3 355.512 0.316 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490716 488392302 /nfs/dbraw/zinc/39/23/02/488392302.db2.gz GLUZUHBOPQPRFW-CYBMUJFWSA-N 1 3 354.524 0.997 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(NC)s1 ZINC000183490716 488392305 /nfs/dbraw/zinc/39/23/05/488392305.db2.gz GLUZUHBOPQPRFW-CYBMUJFWSA-N 1 3 354.524 0.997 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000074616588 488392907 /nfs/dbraw/zinc/39/29/07/488392907.db2.gz MEWDDFLUYSZZMV-KRWDZBQOSA-N 1 3 355.527 0.376 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000074616588 488392908 /nfs/dbraw/zinc/39/29/08/488392908.db2.gz MEWDDFLUYSZZMV-KRWDZBQOSA-N 1 3 355.527 0.376 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000184417300 488396613 /nfs/dbraw/zinc/39/66/13/488396613.db2.gz IXFUATRVNIDXQK-OAHLLOKOSA-N 1 3 351.499 0.592 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000076971785 488407961 /nfs/dbraw/zinc/40/79/61/488407961.db2.gz LDWCZHKLHFNVRK-HZPDHXFCSA-N 1 3 351.495 0.357 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000076971785 488407962 /nfs/dbraw/zinc/40/79/62/488407962.db2.gz LDWCZHKLHFNVRK-HZPDHXFCSA-N 1 3 351.495 0.357 20 0 FCADHO COc1ccnc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000569839216 491197359 /nfs/dbraw/zinc/19/73/59/491197359.db2.gz HWXONSIHSUVHBF-UHFFFAOYSA-N 1 3 362.478 0.843 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000248372926 488495633 /nfs/dbraw/zinc/49/56/33/488495633.db2.gz DTOKTRNNFLXFLE-JKSUJKDBSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000103212224 488499985 /nfs/dbraw/zinc/49/99/85/488499985.db2.gz DLJZGIXNNUSMHU-UHFFFAOYSA-N 1 3 374.485 0.901 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103313477 488500691 /nfs/dbraw/zinc/50/06/91/488500691.db2.gz SZFPVCJWCZZURX-KRWDZBQOSA-N 1 3 367.538 0.960 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000249301335 488508339 /nfs/dbraw/zinc/50/83/39/488508339.db2.gz HELKDKOZLOFVGP-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)CSCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000249301335 488508341 /nfs/dbraw/zinc/50/83/41/488508341.db2.gz HELKDKOZLOFVGP-HZPDHXFCSA-N 1 3 370.563 0.921 20 0 FCADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000108590433 488520345 /nfs/dbraw/zinc/52/03/45/488520345.db2.gz BQNWJAHUZJCRRQ-INIZCTEOSA-N 1 3 351.495 0.278 20 0 FCADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000108590433 488520346 /nfs/dbraw/zinc/52/03/46/488520346.db2.gz BQNWJAHUZJCRRQ-INIZCTEOSA-N 1 3 351.495 0.278 20 0 FCADHO COCCN1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109170475 488522344 /nfs/dbraw/zinc/52/23/44/488522344.db2.gz CMZTYZSTASXNNH-QGZVFWFLSA-N 1 3 356.511 0.489 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261646725 488528933 /nfs/dbraw/zinc/52/89/33/488528933.db2.gz ADDCTYMPVRBUTI-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC)CC1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000262022650 488546347 /nfs/dbraw/zinc/54/63/47/488546347.db2.gz ANQGOXGWMLRFDJ-UHFFFAOYSA-N 1 3 359.536 0.734 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000122109146 488575646 /nfs/dbraw/zinc/57/56/46/488575646.db2.gz ADDCTYMPVRBUTI-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262947811 488600735 /nfs/dbraw/zinc/60/07/35/488600735.db2.gz BBUXRVFDPQTRCN-INIZCTEOSA-N 1 3 370.563 0.954 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000127705093 488619375 /nfs/dbraw/zinc/61/93/75/488619375.db2.gz BIVIZWWXDFEDSX-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000127705093 488619376 /nfs/dbraw/zinc/61/93/76/488619376.db2.gz BIVIZWWXDFEDSX-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCC(F)(F)CC1 ZINC000554550352 491209762 /nfs/dbraw/zinc/20/97/62/491209762.db2.gz ZPYNNMNBZIURQR-UHFFFAOYSA-N 1 3 362.465 0.880 20 0 FCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000133533970 488660497 /nfs/dbraw/zinc/66/04/97/488660497.db2.gz JFVIPOKLNRFSBT-HNNXBMFYSA-N 1 3 364.494 0.764 20 0 FCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000133533970 488660498 /nfs/dbraw/zinc/66/04/98/488660498.db2.gz JFVIPOKLNRFSBT-HNNXBMFYSA-N 1 3 364.494 0.764 20 0 FCADHO CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000138441247 488682417 /nfs/dbraw/zinc/68/24/17/488682417.db2.gz YIEIYUVPHNQHPX-INIZCTEOSA-N 1 3 351.495 0.419 20 0 FCADHO CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000138441247 488682419 /nfs/dbraw/zinc/68/24/19/488682419.db2.gz YIEIYUVPHNQHPX-INIZCTEOSA-N 1 3 351.495 0.419 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)n1 ZINC000151850624 488710717 /nfs/dbraw/zinc/71/07/17/488710717.db2.gz SRLHTYPVGILPRD-UHFFFAOYSA-N 1 3 364.494 0.574 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151938436 488711964 /nfs/dbraw/zinc/71/19/64/488711964.db2.gz XDWXHFFPFIQMIO-LSDHHAIUSA-N 1 3 364.494 0.620 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCC(C)CC1 ZINC000152073947 488713197 /nfs/dbraw/zinc/71/31/97/488713197.db2.gz LTIYXAWOWPBVRD-OAHLLOKOSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000154378809 488742372 /nfs/dbraw/zinc/74/23/72/488742372.db2.gz VUQWGDCAUIIJQO-OAHLLOKOSA-N 1 3 364.494 0.716 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000154378809 488742375 /nfs/dbraw/zinc/74/23/75/488742375.db2.gz VUQWGDCAUIIJQO-OAHLLOKOSA-N 1 3 364.494 0.716 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CCC2CC[NH2+]CC2)cn1 ZINC000156038865 488762175 /nfs/dbraw/zinc/76/21/75/488762175.db2.gz PRBGMVLTAFMTJE-UHFFFAOYSA-N 1 3 350.467 0.279 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000156477726 488765163 /nfs/dbraw/zinc/76/51/63/488765163.db2.gz TYYZLNREKIPQJK-GOSISDBHSA-N 1 3 369.554 0.672 20 0 FCADHO CN1CCO[C@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C[C@@H]21 ZINC000158870322 488780931 /nfs/dbraw/zinc/78/09/31/488780931.db2.gz JTOAREQMZKEOFC-ROUUACIJSA-N 1 3 365.522 0.269 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1=O ZINC000276158289 488782996 /nfs/dbraw/zinc/78/29/96/488782996.db2.gz HHZFRBQWZLQXEH-GOSISDBHSA-N 1 3 360.502 0.817 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000173682008 488844693 /nfs/dbraw/zinc/84/46/93/488844693.db2.gz BHJVLWLNBCEWLJ-NVXWUHKLSA-N 1 3 363.506 0.940 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000176013621 488857024 /nfs/dbraw/zinc/85/70/24/488857024.db2.gz HTMXGOLJJSDLLT-AEFFLSMTSA-N 1 3 354.539 0.779 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000178157591 488860091 /nfs/dbraw/zinc/86/00/91/488860091.db2.gz BWRVENNDRTYVRF-KRWDZBQOSA-N 1 3 350.507 0.872 20 0 FCADHO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000364670980 488983872 /nfs/dbraw/zinc/98/38/72/488983872.db2.gz GNVBOWJEOIFGND-PMACEKPBSA-N 1 3 372.513 0.649 20 0 FCADHO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000364670980 488983874 /nfs/dbraw/zinc/98/38/74/488983874.db2.gz GNVBOWJEOIFGND-PMACEKPBSA-N 1 3 372.513 0.649 20 0 FCADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000288533839 488989433 /nfs/dbraw/zinc/98/94/33/488989433.db2.gz DSWQYINOFLYGEM-CQSZACIVSA-N 1 3 367.446 0.532 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC1=O ZINC000563207582 491227206 /nfs/dbraw/zinc/22/72/06/491227206.db2.gz PUCZETTZNCOELU-CYBMUJFWSA-N 1 3 365.503 0.959 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000288957653 489032080 /nfs/dbraw/zinc/03/20/80/489032080.db2.gz VZPQEPFHVWIGHN-HNNXBMFYSA-N 1 3 361.490 0.743 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000289323526 489058453 /nfs/dbraw/zinc/05/84/53/489058453.db2.gz LBPLFKQDHOLXRJ-SFHVURJKSA-N 1 3 360.502 0.960 20 0 FCADHO CN(CCCN(C)CC(=O)NC(=O)NCc1ccccc1)CC[NH+](C)C ZINC000289463037 489069084 /nfs/dbraw/zinc/06/90/84/489069084.db2.gz QFTLJVLYIHPGGG-UHFFFAOYSA-N 1 3 363.506 0.828 20 0 FCADHO CN(CCCN(C)CC(=O)NC(=O)NCc1ccco1)CC[NH+](C)C ZINC000289476767 489069962 /nfs/dbraw/zinc/06/99/62/489069962.db2.gz RKNXSKDLQUBGOI-UHFFFAOYSA-N 1 3 353.467 0.421 20 0 FCADHO CO[C@H](CN)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000290279957 489127208 /nfs/dbraw/zinc/12/72/08/489127208.db2.gz ZKWUWDYFYZXRKW-QGZVFWFLSA-N 1 3 350.463 0.249 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172645 489154530 /nfs/dbraw/zinc/15/45/30/489154530.db2.gz SIUXFHBEJZIWPY-MJGOQNOKSA-N 1 3 351.539 0.997 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172645 489154532 /nfs/dbraw/zinc/15/45/32/489154532.db2.gz SIUXFHBEJZIWPY-MJGOQNOKSA-N 1 3 351.539 0.997 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000331370870 489202812 /nfs/dbraw/zinc/20/28/12/489202812.db2.gz GIBDOJQVZPUIEJ-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331390843 489205346 /nfs/dbraw/zinc/20/53/46/489205346.db2.gz JJVNCKQRQXQUNR-DLBZAZTESA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000297697080 489225068 /nfs/dbraw/zinc/22/50/68/489225068.db2.gz HLMVGHWXLNCLMR-OAHLLOKOSA-N 1 3 350.463 0.722 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738425 489269597 /nfs/dbraw/zinc/26/95/97/489269597.db2.gz XVWYCBDPMJJMLO-JQHSSLGASA-N 1 3 366.506 0.744 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738425 489269599 /nfs/dbraw/zinc/26/95/99/489269599.db2.gz XVWYCBDPMJJMLO-JQHSSLGASA-N 1 3 366.506 0.744 20 0 FCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000570507659 491245419 /nfs/dbraw/zinc/24/54/19/491245419.db2.gz ZAIJNXGJMPTMJG-GOEBONIOSA-N 1 3 350.438 0.489 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CCN2C1=O ZINC000563452343 491248861 /nfs/dbraw/zinc/24/88/61/491248861.db2.gz WGHZEIVDZSXFTN-BRWVUGGUSA-N 1 3 363.506 0.737 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CCN2C1=O ZINC000563452343 491248864 /nfs/dbraw/zinc/24/88/64/491248864.db2.gz WGHZEIVDZSXFTN-BRWVUGGUSA-N 1 3 363.506 0.737 20 0 FCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000370735793 489395066 /nfs/dbraw/zinc/39/50/66/489395066.db2.gz ZQSDLFIIGYBBPL-HYVNUMGLSA-N 1 3 363.506 0.417 20 0 FCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000370735793 489395068 /nfs/dbraw/zinc/39/50/68/489395068.db2.gz ZQSDLFIIGYBBPL-HYVNUMGLSA-N 1 3 363.506 0.417 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363180390 489434406 /nfs/dbraw/zinc/43/44/06/489434406.db2.gz CPMKHRVEPKVRGI-DLBZAZTESA-N 1 3 354.495 0.338 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363180390 489434408 /nfs/dbraw/zinc/43/44/08/489434408.db2.gz CPMKHRVEPKVRGI-DLBZAZTESA-N 1 3 354.495 0.338 20 0 FCADHO C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363180391 489434526 /nfs/dbraw/zinc/43/45/26/489434526.db2.gz CPMKHRVEPKVRGI-IAGOWNOFSA-N 1 3 354.495 0.338 20 0 FCADHO C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363180391 489434527 /nfs/dbraw/zinc/43/45/27/489434527.db2.gz CPMKHRVEPKVRGI-IAGOWNOFSA-N 1 3 354.495 0.338 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CCN2C1=O ZINC000570697828 491258528 /nfs/dbraw/zinc/25/85/28/491258528.db2.gz BMOIJPFPMLDFSM-MSOLQXFVSA-N 1 3 371.485 0.736 20 0 FCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000563617442 491258903 /nfs/dbraw/zinc/25/89/03/491258903.db2.gz DRRPTNAXOUCQED-MKXGPGLRSA-N 1 3 356.555 0.320 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000371240121 489469794 /nfs/dbraw/zinc/46/97/94/489469794.db2.gz BJENCJZYIUETRD-HXUWFJFHSA-N 1 3 371.529 0.440 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000371240121 489469795 /nfs/dbraw/zinc/46/97/95/489469795.db2.gz BJENCJZYIUETRD-HXUWFJFHSA-N 1 3 371.529 0.440 20 0 FCADHO CN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](c2ccccc2)C1 ZINC000371527942 489486973 /nfs/dbraw/zinc/48/69/73/489486973.db2.gz YQENHUCITYOZGQ-KZNAEPCWSA-N 1 3 358.486 0.611 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000423094078 489492474 /nfs/dbraw/zinc/49/24/74/489492474.db2.gz JGKFAQNKDFRBIN-RHSMWYFYSA-N 1 3 364.465 0.912 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423092227 489492571 /nfs/dbraw/zinc/49/25/71/489492571.db2.gz AZNFAXBOGZSTSX-OAHLLOKOSA-N 1 3 364.465 0.784 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000423101932 489493712 /nfs/dbraw/zinc/49/37/12/489493712.db2.gz WOFNPZVRSAVLOM-OAHLLOKOSA-N 1 3 350.438 0.536 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000423157377 489497316 /nfs/dbraw/zinc/49/73/16/489497316.db2.gz ARTNVKMVRWLWIU-MRXNPFEDSA-N 1 3 350.438 0.536 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000423156300 489497378 /nfs/dbraw/zinc/49/73/78/489497378.db2.gz RYHTWPNERKHOFK-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000423169707 489499094 /nfs/dbraw/zinc/49/90/94/489499094.db2.gz KFMBVXDKYZGURD-CZUORRHYSA-N 1 3 350.463 0.674 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423203449 489502062 /nfs/dbraw/zinc/50/20/62/489502062.db2.gz MSOXCFOUHUTTSV-GJZGRUSLSA-N 1 3 354.495 0.012 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423199969 489502083 /nfs/dbraw/zinc/50/20/83/489502083.db2.gz DAFHRJOLMHZECS-OAHLLOKOSA-N 1 3 350.438 0.523 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000423210112 489503012 /nfs/dbraw/zinc/50/30/12/489503012.db2.gz JSDNJXVUCSYELP-HOTGVXAUSA-N 1 3 356.511 0.387 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000423220925 489504766 /nfs/dbraw/zinc/50/47/66/489504766.db2.gz YWZFGZLIWHUQJZ-QGZVFWFLSA-N 1 3 368.522 0.404 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000415395862 489517602 /nfs/dbraw/zinc/51/76/02/489517602.db2.gz OSMYTKNJHOYUDO-INIZCTEOSA-N 1 3 373.501 0.883 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415413667 489517959 /nfs/dbraw/zinc/51/79/59/489517959.db2.gz IZXDREMEKNSACP-CQSZACIVSA-N 1 3 350.463 0.846 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000415419734 489519300 /nfs/dbraw/zinc/51/93/00/489519300.db2.gz VIYFTPSCZUJSNU-GFCCVEGCSA-N 1 3 354.426 0.676 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CCCC2)CC1 ZINC000570720497 491260387 /nfs/dbraw/zinc/26/03/87/491260387.db2.gz GBFROUOBHCEUNC-HUUCEWRRSA-N 1 3 368.522 0.768 20 0 FCADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425885172 489540545 /nfs/dbraw/zinc/54/05/45/489540545.db2.gz OSOQISDXQVDQGO-PKOBYXMFSA-N 1 3 370.497 0.930 20 0 FCADHO C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425885172 489540548 /nfs/dbraw/zinc/54/05/48/489540548.db2.gz OSOQISDXQVDQGO-PKOBYXMFSA-N 1 3 370.497 0.930 20 0 FCADHO C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425885172 489540549 /nfs/dbraw/zinc/54/05/49/489540549.db2.gz OSOQISDXQVDQGO-PKOBYXMFSA-N 1 3 370.497 0.930 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115694 489546686 /nfs/dbraw/zinc/54/66/86/489546686.db2.gz IPKHZQHPDITWDR-AEFFLSMTSA-N 1 3 352.523 0.772 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115694 489546689 /nfs/dbraw/zinc/54/66/89/489546689.db2.gz IPKHZQHPDITWDR-AEFFLSMTSA-N 1 3 352.523 0.772 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000415728653 489547303 /nfs/dbraw/zinc/54/73/03/489547303.db2.gz AMKBJJRDZJGHSL-UHFFFAOYSA-N 1 3 359.474 0.193 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@@H+]1C ZINC000570748340 491261874 /nfs/dbraw/zinc/26/18/74/491261874.db2.gz AFFWPPHMCFCZBA-HZPDHXFCSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC[N@H+]1C ZINC000570748340 491261878 /nfs/dbraw/zinc/26/18/78/491261878.db2.gz AFFWPPHMCFCZBA-HZPDHXFCSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCOCCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570788562 491264290 /nfs/dbraw/zinc/26/42/90/491264290.db2.gz FXOFZMQYACZHON-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO C[C@H](NC(=O)C(=O)NCCOCCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570788562 491264292 /nfs/dbraw/zinc/26/42/92/491264292.db2.gz FXOFZMQYACZHON-HOTGVXAUSA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000570786003 491264337 /nfs/dbraw/zinc/26/43/37/491264337.db2.gz REYOBOXEXUUJON-KBPBESRZSA-N 1 3 365.444 0.947 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000372454900 489586212 /nfs/dbraw/zinc/58/62/12/489586212.db2.gz MHDWAKGJMYSKFN-HDICACEKSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000416971289 489637494 /nfs/dbraw/zinc/63/74/94/489637494.db2.gz CRXCZBVANVLMKE-KRWDZBQOSA-N 1 3 350.463 0.805 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)CC1 ZINC000416993324 489638144 /nfs/dbraw/zinc/63/81/44/489638144.db2.gz PWYVJPBSUDIKOX-UHFFFAOYSA-N 1 3 363.506 0.287 20 0 FCADHO CC1(C)CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC000417385183 489651138 /nfs/dbraw/zinc/65/11/38/489651138.db2.gz LTCRSZRKDSTUCJ-UHFFFAOYSA-N 1 3 360.506 0.987 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)N1CCN(C)CC1 ZINC000457620288 489651322 /nfs/dbraw/zinc/65/13/22/489651322.db2.gz PMWNKYHUHXLOMF-ROUUACIJSA-N 1 3 369.554 0.404 20 0 FCADHO CCC[C@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418872 489651799 /nfs/dbraw/zinc/65/17/99/489651799.db2.gz BZVVFVIMKPMCAR-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[C@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000417418872 489651802 /nfs/dbraw/zinc/65/18/02/489651802.db2.gz BZVVFVIMKPMCAR-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000417474514 489655496 /nfs/dbraw/zinc/65/54/96/489655496.db2.gz NMTDIZWNZZCHFR-AWEZNQCLSA-N 1 3 371.432 0.760 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000417481228 489656364 /nfs/dbraw/zinc/65/63/64/489656364.db2.gz WGQZIYIGWXCMQH-QGZVFWFLSA-N 1 3 361.490 0.919 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417572980 489659168 /nfs/dbraw/zinc/65/91/68/489659168.db2.gz ZGIAIILPSDMSQR-MRXNPFEDSA-N 1 3 353.511 0.746 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1=O ZINC000428956950 489668587 /nfs/dbraw/zinc/66/85/87/489668587.db2.gz ZICALADQDJVLME-YYIAUSFCSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458462155 489684317 /nfs/dbraw/zinc/68/43/17/489684317.db2.gz PUDOTNVYGKRZEH-MSOLQXFVSA-N 1 3 369.554 0.406 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458462155 489684319 /nfs/dbraw/zinc/68/43/19/489684319.db2.gz PUDOTNVYGKRZEH-MSOLQXFVSA-N 1 3 369.554 0.406 20 0 FCADHO [NH3+]C1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCCCC1 ZINC000418301030 489690102 /nfs/dbraw/zinc/69/01/02/489690102.db2.gz XJGIAIGSXXWWEG-UHFFFAOYSA-N 1 3 353.511 0.939 20 0 FCADHO C[C@@H](NC(=O)NCC(=O)NCCN1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418313589 489690630 /nfs/dbraw/zinc/69/06/30/489690630.db2.gz QQAWTPCTZYPOOD-HZPDHXFCSA-N 1 3 353.511 0.666 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCN2CCCO)CCCO1 ZINC000458709369 489697553 /nfs/dbraw/zinc/69/75/53/489697553.db2.gz CSLVSFRGSVGOHX-DLBZAZTESA-N 1 3 356.511 0.633 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCN2CCCO)CCCO1 ZINC000458709369 489697555 /nfs/dbraw/zinc/69/75/55/489697555.db2.gz CSLVSFRGSVGOHX-DLBZAZTESA-N 1 3 356.511 0.633 20 0 FCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000489542009 489716829 /nfs/dbraw/zinc/71/68/29/489716829.db2.gz AAOIXSUPZYBTFM-MSOLQXFVSA-N 1 3 369.554 0.549 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418757081 489723246 /nfs/dbraw/zinc/72/32/46/489723246.db2.gz HJLKUXKWTMYLOZ-MRXNPFEDSA-N 1 3 351.470 0.803 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418794669 489728539 /nfs/dbraw/zinc/72/85/39/489728539.db2.gz RKXUVMUFCNHHGI-PKOBYXMFSA-N 1 3 362.474 0.301 20 0 FCADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000376464557 489738083 /nfs/dbraw/zinc/73/80/83/489738083.db2.gz TUOKFLWRPXHKFF-CYBMUJFWSA-N 1 3 363.380 0.863 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000418826271 489740902 /nfs/dbraw/zinc/74/09/02/489740902.db2.gz BCPNWJLDKHBVSH-SFHVURJKSA-N 1 3 372.513 0.878 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000490012466 489740857 /nfs/dbraw/zinc/74/08/57/489740857.db2.gz JMQLIXRVSLSAMV-INIZCTEOSA-N 1 3 352.504 0.416 20 0 FCADHO [NH3+]CCCOC1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000430542558 489744700 /nfs/dbraw/zinc/74/47/00/489744700.db2.gz KVJGHRYCSXXZMF-UHFFFAOYSA-N 1 3 354.373 0.594 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849761 489755211 /nfs/dbraw/zinc/75/52/11/489755211.db2.gz NFCQFZPPHRSTKC-SQNIBIBYSA-N 1 3 358.486 0.343 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849757 489755539 /nfs/dbraw/zinc/75/55/39/489755539.db2.gz NFCQFZPPHRSTKC-BZSNNMDCSA-N 1 3 358.486 0.343 20 0 FCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000418852887 489757430 /nfs/dbraw/zinc/75/74/30/489757430.db2.gz RPAVESAJZHCBJW-QAPCUYQASA-N 1 3 360.502 0.861 20 0 FCADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633758 489758967 /nfs/dbraw/zinc/75/89/67/489758967.db2.gz QDFBQRFBOIFQAP-GOEBONIOSA-N 1 3 364.465 0.660 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@H]1C[NH3+] ZINC000418856950 489760512 /nfs/dbraw/zinc/76/05/12/489760512.db2.gz XXONSULOAYHVRN-NXHRZFHOSA-N 1 3 360.502 0.861 20 0 FCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418866576 489765709 /nfs/dbraw/zinc/76/57/09/489765709.db2.gz OBBJMPAOLSADHS-CABCVRRESA-N 1 3 354.495 0.108 20 0 FCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418866576 489765713 /nfs/dbraw/zinc/76/57/13/489765713.db2.gz OBBJMPAOLSADHS-CABCVRRESA-N 1 3 354.495 0.108 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cn1 ZINC000430792410 489770546 /nfs/dbraw/zinc/77/05/46/489770546.db2.gz RDDUGHAZWRNDDZ-JKSUJKDBSA-N 1 3 364.494 0.797 20 0 FCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418879244 489772193 /nfs/dbraw/zinc/77/21/93/489772193.db2.gz NBPPYUVYEWNUJN-ZWKOTPCHSA-N 1 3 374.485 0.209 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)[C@H]1C[NH3+] ZINC000418885239 489774888 /nfs/dbraw/zinc/77/48/88/489774888.db2.gz YGJMYFGWTVGNRG-OAGGEKHMSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418885936 489775462 /nfs/dbraw/zinc/77/54/62/489775462.db2.gz ZPUMLZDQMUTILO-BZUAXINKSA-N 1 3 354.495 0.237 20 0 FCADHO C[C@H](O)CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000376702236 489779005 /nfs/dbraw/zinc/77/90/05/489779005.db2.gz VDPPBSKJJWDKNO-INIZCTEOSA-N 1 3 367.538 0.253 20 0 FCADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCCN1CCCCCC1=O ZINC000431029781 489785445 /nfs/dbraw/zinc/78/54/45/489785445.db2.gz GLYGRZQBLSFDIR-UHFFFAOYSA-N 1 3 350.507 0.971 20 0 FCADHO O=C(N[C@@H]1CCN(C2CC2)C1)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000474810055 489787469 /nfs/dbraw/zinc/78/74/69/489787469.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(N[C@@H]1CCN(C2CC2)C1)C1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000474810055 489787473 /nfs/dbraw/zinc/78/74/73/489787473.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1(C(=O)N[C@H]2CCN(C3CC3)C2)CCC1 ZINC000474810055 489787479 /nfs/dbraw/zinc/78/74/79/489787479.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 1 3 360.502 0.863 20 0 FCADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C1(C(=O)N[C@H]2CCN(C3CC3)C2)CCC1 ZINC000474810055 489787483 /nfs/dbraw/zinc/78/74/83/489787483.db2.gz NQNNFNJOCRAJOC-GASCZTMLSA-N 1 3 360.502 0.863 20 0 FCADHO CCOC(=O)[C@](C)(O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000475020408 489802114 /nfs/dbraw/zinc/80/21/14/489802114.db2.gz SGPYYGOKVNBHIM-LJQANCHMSA-N 1 3 371.522 0.717 20 0 FCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418956897 489803635 /nfs/dbraw/zinc/80/36/35/489803635.db2.gz SUTSJWDEXZCOJH-IXDOHACOSA-N 1 3 368.522 0.504 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000418984946 489809989 /nfs/dbraw/zinc/80/99/89/489809989.db2.gz FKKIMIOBVRBVEL-BZSNNMDCSA-N 1 3 358.486 0.950 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000418985974 489809996 /nfs/dbraw/zinc/80/99/96/489809996.db2.gz NTHNFJLRLDFOHT-BPQIPLTHSA-N 1 3 358.486 0.788 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000418985974 489809998 /nfs/dbraw/zinc/80/99/98/489809998.db2.gz NTHNFJLRLDFOHT-BPQIPLTHSA-N 1 3 358.486 0.788 20 0 FCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419015688 489818604 /nfs/dbraw/zinc/81/86/04/489818604.db2.gz LJWBWJBIMYHMDW-KRWDZBQOSA-N 1 3 362.474 0.249 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419027377 489823644 /nfs/dbraw/zinc/82/36/44/489823644.db2.gz CJNGCNIHYFMFBM-HNNXBMFYSA-N 1 3 370.563 0.954 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419029326 489824390 /nfs/dbraw/zinc/82/43/90/489824390.db2.gz RRKNDBOYAZXFSC-TWMKSMIVSA-N 1 3 352.523 0.927 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419029328 489824419 /nfs/dbraw/zinc/82/44/19/489824419.db2.gz RRKNDBOYAZXFSC-YVSFHVDLSA-N 1 3 352.523 0.927 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419033593 489825958 /nfs/dbraw/zinc/82/59/58/489825958.db2.gz LPNOWPMRZOPQJY-HNNXBMFYSA-N 1 3 370.563 0.826 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419037912 489829398 /nfs/dbraw/zinc/82/93/98/489829398.db2.gz DQOSVXMCQMPHEG-RDJZCZTQSA-N 1 3 368.522 0.720 20 0 FCADHO COCC[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000377096279 489850916 /nfs/dbraw/zinc/85/09/16/489850916.db2.gz YZYXFMRDGVKBQW-MRXNPFEDSA-N 1 3 368.522 0.992 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261785 489859410 /nfs/dbraw/zinc/85/94/10/489859410.db2.gz RQJXEAHFOBLYRW-QUCCMNQESA-N 1 3 360.502 0.917 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261785 489859413 /nfs/dbraw/zinc/85/94/13/489859413.db2.gz RQJXEAHFOBLYRW-QUCCMNQESA-N 1 3 360.502 0.917 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000460276285 489861721 /nfs/dbraw/zinc/86/17/21/489861721.db2.gz XMPCYPIHALXRQB-SFHVURJKSA-N 1 3 350.463 0.493 20 0 FCADHO [NH3+]C1CCN(CCCC(=O)N2CCC(CN3CCOCC3)CC2)CC1 ZINC000433163749 489869642 /nfs/dbraw/zinc/86/96/42/489869642.db2.gz PGCOIPACRVOZRF-UHFFFAOYSA-N 1 3 352.523 0.761 20 0 FCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000419991571 489875041 /nfs/dbraw/zinc/87/50/41/489875041.db2.gz KTACSJXTSURSGJ-LBPRGKRZSA-N 1 3 356.417 0.709 20 0 FCADHO COCCCN1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433380718 489879849 /nfs/dbraw/zinc/87/98/49/489879849.db2.gz DXDTVTRSXXOXQO-OAHLLOKOSA-N 1 3 350.467 0.433 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CN1CCN(C)CC1 ZINC000433413176 489882037 /nfs/dbraw/zinc/88/20/37/489882037.db2.gz WASYFEKPLFRIRM-ROUUACIJSA-N 1 3 369.554 0.670 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CN1CCN(C)CC1 ZINC000433413176 489882041 /nfs/dbraw/zinc/88/20/41/489882041.db2.gz WASYFEKPLFRIRM-ROUUACIJSA-N 1 3 369.554 0.670 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CN1CCN(C)CC1 ZINC000433413174 489882494 /nfs/dbraw/zinc/88/24/94/489882494.db2.gz WASYFEKPLFRIRM-QZTJIDSGSA-N 1 3 369.554 0.670 20 0 FCADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CN1CCN(C)CC1 ZINC000433413174 489882499 /nfs/dbraw/zinc/88/24/99/489882499.db2.gz WASYFEKPLFRIRM-QZTJIDSGSA-N 1 3 369.554 0.670 20 0 FCADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420037661 489888693 /nfs/dbraw/zinc/88/86/93/489888693.db2.gz UWIWTODHBUJLQU-FUHWJXTLSA-N 1 3 358.486 0.820 20 0 FCADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420037661 489888698 /nfs/dbraw/zinc/88/86/98/489888698.db2.gz UWIWTODHBUJLQU-FUHWJXTLSA-N 1 3 358.486 0.820 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420047129 489892586 /nfs/dbraw/zinc/89/25/86/489892586.db2.gz WBWVALRSZBQJFP-ZNMIVQPWSA-N 1 3 352.479 0.302 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000420065365 489900245 /nfs/dbraw/zinc/90/02/45/489900245.db2.gz POPYOSSWBZJOOF-CKEIUWERSA-N 1 3 366.506 0.188 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000420066566 489901172 /nfs/dbraw/zinc/90/11/72/489901172.db2.gz RCYIJBCGDKLEQY-KRWDZBQOSA-N 1 3 362.474 0.439 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420087412 489907536 /nfs/dbraw/zinc/90/75/36/489907536.db2.gz POQXRKICXBDWRY-DLBZAZTESA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420086799 489907678 /nfs/dbraw/zinc/90/76/78/489907678.db2.gz DNCIGQXZMISFIO-KRWDZBQOSA-N 1 3 373.501 0.892 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420089700 489908285 /nfs/dbraw/zinc/90/82/85/489908285.db2.gz FYCMVRGQWOMACQ-CJNGLKHVSA-N 1 3 368.428 0.547 20 0 FCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420100518 489912173 /nfs/dbraw/zinc/91/21/73/489912173.db2.gz KPLKIWQBVZDLMX-SFHVURJKSA-N 1 3 356.470 0.993 20 0 FCADHO O=C(NCc1ccc2c(c1)CNC2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420103220 489913233 /nfs/dbraw/zinc/91/32/33/489913233.db2.gz OZXQQBMJFGPIKO-INIZCTEOSA-N 1 3 356.470 0.850 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC1=O ZINC000377529216 489915677 /nfs/dbraw/zinc/91/56/77/489915677.db2.gz AFJUQCRYOFCOCR-QWRGUYRKSA-N 1 3 351.476 0.308 20 0 FCADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420109211 489915858 /nfs/dbraw/zinc/91/58/58/489915858.db2.gz ANDKGSWXDFCCKR-SOUVJXGZSA-N 1 3 354.495 0.058 20 0 FCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420112352 489916321 /nfs/dbraw/zinc/91/63/21/489916321.db2.gz ATUPKFPMJDTVDJ-CVEARBPZSA-N 1 3 367.538 0.247 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377535412 489916670 /nfs/dbraw/zinc/91/66/70/489916670.db2.gz GZUSHXNFROKWOZ-QGZVFWFLSA-N 1 3 350.507 0.528 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000571169709 491290130 /nfs/dbraw/zinc/29/01/30/491290130.db2.gz YAVXQTCOODHJPB-YESZJQIVSA-N 1 3 363.506 0.608 20 0 FCADHO CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCCC1 ZINC000420192861 489947310 /nfs/dbraw/zinc/94/73/10/489947310.db2.gz INYGPOCKJLTKHF-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420199531 489949577 /nfs/dbraw/zinc/94/95/77/489949577.db2.gz FAERPKQRRRVJMN-KRWDZBQOSA-N 1 3 374.485 0.343 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000477201999 489949738 /nfs/dbraw/zinc/94/97/38/489949738.db2.gz GWKJULNEFHJWIM-LPHOPBHVSA-N 1 3 370.538 0.650 20 0 FCADHO C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420202801 489950501 /nfs/dbraw/zinc/95/05/01/489950501.db2.gz JWDMSBQJCMSJEW-NVXWUHKLSA-N 1 3 374.485 0.078 20 0 FCADHO COc1ccc([C@H](C[NH3+])CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000420310269 489961806 /nfs/dbraw/zinc/96/18/06/489961806.db2.gz FSFSWRWFEUHHND-GOSISDBHSA-N 1 3 360.502 0.978 20 0 FCADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305646 489961996 /nfs/dbraw/zinc/96/19/96/489961996.db2.gz ZBKQUGHIKYTMDQ-ROUUACIJSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305646 489962001 /nfs/dbraw/zinc/96/20/01/489962001.db2.gz ZBKQUGHIKYTMDQ-ROUUACIJSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305646 489962006 /nfs/dbraw/zinc/96/20/06/489962006.db2.gz ZBKQUGHIKYTMDQ-ROUUACIJSA-N 1 3 360.502 0.881 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000420420224 489974189 /nfs/dbraw/zinc/97/41/89/489974189.db2.gz JQFSKFQZHKKRSZ-HNNXBMFYSA-N 1 3 355.508 0.577 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420447384 489978076 /nfs/dbraw/zinc/97/80/76/489978076.db2.gz IUHBFVQNECFBFJ-IUODEOHRSA-N 1 3 357.524 0.809 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000477651640 489981777 /nfs/dbraw/zinc/98/17/77/489981777.db2.gz JOHLBQIPGDQOCJ-MRXNPFEDSA-N 1 3 368.522 0.450 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420467407 489981889 /nfs/dbraw/zinc/98/18/89/489981889.db2.gz XFJWTZUXAHJDJJ-CABCVRRESA-N 1 3 357.524 0.857 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477652912 489981961 /nfs/dbraw/zinc/98/19/61/489981961.db2.gz OCNZPOISDNADIW-HNNXBMFYSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477652912 489981965 /nfs/dbraw/zinc/98/19/65/489981965.db2.gz OCNZPOISDNADIW-HNNXBMFYSA-N 1 3 354.495 0.014 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000377931442 489982117 /nfs/dbraw/zinc/98/21/17/489982117.db2.gz JGKBXAFQVZFIFM-RCCFBDPRSA-N 1 3 368.522 0.992 20 0 FCADHO O=C(CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539475 490023858 /nfs/dbraw/zinc/02/38/58/490023858.db2.gz FKODEDWFXPYIHF-DOTOQJQBSA-N 1 3 359.474 0.990 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000519760085 490078886 /nfs/dbraw/zinc/07/88/86/490078886.db2.gz AAUCODYERNAFML-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000465175557 490091430 /nfs/dbraw/zinc/09/14/30/490091430.db2.gz BJAPDTFLRUMRKV-ZWKOTPCHSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000465175557 490091432 /nfs/dbraw/zinc/09/14/32/490091432.db2.gz BJAPDTFLRUMRKV-ZWKOTPCHSA-N 1 3 369.554 0.404 20 0 FCADHO C[C@H](CC(N)=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479519098 490099246 /nfs/dbraw/zinc/09/92/46/490099246.db2.gz SMFQYRURQGRJGR-ZIAGYGMSSA-N 1 3 370.519 0.831 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCSC1 ZINC000421727585 490102421 /nfs/dbraw/zinc/10/24/21/490102421.db2.gz YNWHEEINXSHATF-KRWDZBQOSA-N 1 3 356.536 0.531 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCSC1 ZINC000421727585 490102428 /nfs/dbraw/zinc/10/24/28/490102428.db2.gz YNWHEEINXSHATF-KRWDZBQOSA-N 1 3 356.536 0.531 20 0 FCADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000422027647 490127878 /nfs/dbraw/zinc/12/78/78/490127878.db2.gz WMZWCKZHOTYUKI-GOSISDBHSA-N 1 3 366.550 0.973 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000422027647 490127885 /nfs/dbraw/zinc/12/78/85/490127885.db2.gz WMZWCKZHOTYUKI-GOSISDBHSA-N 1 3 366.550 0.973 20 0 FCADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000422027647 490127891 /nfs/dbraw/zinc/12/78/91/490127891.db2.gz WMZWCKZHOTYUKI-GOSISDBHSA-N 1 3 366.550 0.973 20 0 FCADHO COc1ccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000520359077 490135997 /nfs/dbraw/zinc/13/59/97/490135997.db2.gz KRPODBHPTKWNAB-UHFFFAOYSA-N 1 3 364.490 0.605 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000479995166 490145872 /nfs/dbraw/zinc/14/58/72/490145872.db2.gz VKGWVKPJROGALS-INIZCTEOSA-N 1 3 351.495 0.420 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000465852908 490147790 /nfs/dbraw/zinc/14/77/90/490147790.db2.gz XTRXHPDICZKTMQ-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000465852908 490147794 /nfs/dbraw/zinc/14/77/94/490147794.db2.gz XTRXHPDICZKTMQ-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958221 490157865 /nfs/dbraw/zinc/15/78/65/490157865.db2.gz SINHICIFWODWLI-JKSUJKDBSA-N 1 3 353.511 0.557 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465958221 490157871 /nfs/dbraw/zinc/15/78/71/490157871.db2.gz SINHICIFWODWLI-JKSUJKDBSA-N 1 3 353.511 0.557 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000446801193 490166224 /nfs/dbraw/zinc/16/62/24/490166224.db2.gz IKKKUQJIZHSSPI-HUUCEWRRSA-N 1 3 364.494 0.714 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C ZINC000446801193 490166230 /nfs/dbraw/zinc/16/62/30/490166230.db2.gz IKKKUQJIZHSSPI-HUUCEWRRSA-N 1 3 364.494 0.714 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000422120246 490171289 /nfs/dbraw/zinc/17/12/89/490171289.db2.gz PNQLFWCAAOZRHC-SJORKVTESA-N 1 3 350.507 0.729 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000422120246 490171306 /nfs/dbraw/zinc/17/13/06/490171306.db2.gz PNQLFWCAAOZRHC-SJORKVTESA-N 1 3 350.507 0.729 20 0 FCADHO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@H]2C1 ZINC000497676579 490193701 /nfs/dbraw/zinc/19/37/01/490193701.db2.gz IIDKKTAWMFBRMN-ROUUACIJSA-N 1 3 367.538 0.112 20 0 FCADHO C[N@H+]1CC[C@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@H]2C1 ZINC000497676579 490193708 /nfs/dbraw/zinc/19/37/08/490193708.db2.gz IIDKKTAWMFBRMN-ROUUACIJSA-N 1 3 367.538 0.112 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3CCN(C4CC4)CC3)C2)CC1 ZINC000571422257 491306827 /nfs/dbraw/zinc/30/68/27/491306827.db2.gz GHIZCXQCVSNCHU-MRXNPFEDSA-N 1 3 362.518 0.920 20 0 FCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414636 490219282 /nfs/dbraw/zinc/21/92/82/490219282.db2.gz PSZISRSAHOLJKO-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000507414636 490219292 /nfs/dbraw/zinc/21/92/92/490219292.db2.gz PSZISRSAHOLJKO-IRXDYDNUSA-N 1 3 367.538 0.960 20 0 FCADHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc(OC)c1OCC(N)=O ZINC000521337856 490249845 /nfs/dbraw/zinc/24/98/45/490249845.db2.gz MHXUNTVAVIKDFV-CYBMUJFWSA-N 1 3 351.447 0.999 20 0 FCADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000507768253 490263863 /nfs/dbraw/zinc/26/38/63/490263863.db2.gz AEBKZKXOCLBAMZ-UHFFFAOYSA-N 1 3 364.494 0.718 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979826 490306740 /nfs/dbraw/zinc/30/67/40/490306740.db2.gz BKSOOORWDCORTP-CVEARBPZSA-N 1 3 367.538 0.993 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000447979826 490306745 /nfs/dbraw/zinc/30/67/45/490306745.db2.gz BKSOOORWDCORTP-CVEARBPZSA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000483333292 490309229 /nfs/dbraw/zinc/30/92/29/490309229.db2.gz LLCRLLIFHUMBJI-BRWVUGGUSA-N 1 3 368.522 0.593 20 0 FCADHO O=C(NCC1(N2CCCCC2)CCOCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467691523 490330552 /nfs/dbraw/zinc/33/05/52/490330552.db2.gz OFFHVAQCYQHUJU-ALOPSCKCSA-N 1 3 363.502 0.952 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626684 491319522 /nfs/dbraw/zinc/31/95/22/491319522.db2.gz PTIVKCAAKRNEHB-MLHJIOFPSA-N 1 3 356.470 0.683 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626684 491319525 /nfs/dbraw/zinc/31/95/25/491319525.db2.gz PTIVKCAAKRNEHB-MLHJIOFPSA-N 1 3 356.470 0.683 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000448508502 490358225 /nfs/dbraw/zinc/35/82/25/490358225.db2.gz TXCRUMOHBMWNSA-UHFFFAOYSA-N 1 3 364.494 0.762 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289280 490367144 /nfs/dbraw/zinc/36/71/44/490367144.db2.gz ANDOFEQBJDHTEC-RDJZCZTQSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000522289280 490367151 /nfs/dbraw/zinc/36/71/51/490367151.db2.gz ANDOFEQBJDHTEC-RDJZCZTQSA-N 1 3 350.507 0.872 20 0 FCADHO Cc1cc(NC(=O)C(=O)NCCC[NH+](C)C)ccc1OCCN(C)C ZINC000411118217 490387857 /nfs/dbraw/zinc/38/78/57/490387857.db2.gz DUMFAXMQRWWHTH-UHFFFAOYSA-N 1 3 350.463 0.942 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739112 491324078 /nfs/dbraw/zinc/32/40/78/491324078.db2.gz BHGVUVJPFWASBD-FGTMMUONSA-N 1 3 371.485 0.462 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000564739112 491324080 /nfs/dbraw/zinc/32/40/80/491324080.db2.gz BHGVUVJPFWASBD-FGTMMUONSA-N 1 3 371.485 0.462 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624657 490431549 /nfs/dbraw/zinc/43/15/49/490431549.db2.gz CMYZHVQFUXJJMB-OFLPRAFFSA-N 1 3 368.522 0.545 20 0 FCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422625607 490432974 /nfs/dbraw/zinc/43/29/74/490432974.db2.gz BXFIQYAPNBTENS-MGPQQGTHSA-N 1 3 368.503 0.968 20 0 FCADHO C[C@@H]1C[C@H](C)N(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000422642570 490439877 /nfs/dbraw/zinc/43/98/77/490439877.db2.gz ZPPDKJIPFBEKMO-IKGGRYGDSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1CN ZINC000422642570 490439891 /nfs/dbraw/zinc/43/98/91/490439891.db2.gz ZPPDKJIPFBEKMO-IKGGRYGDSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1CN ZINC000422642570 490439897 /nfs/dbraw/zinc/43/98/97/490439897.db2.gz ZPPDKJIPFBEKMO-IKGGRYGDSA-N 1 3 360.506 0.821 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000509709220 490453903 /nfs/dbraw/zinc/45/39/03/490453903.db2.gz AKTYAJHOANLONT-HOTGVXAUSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000509709220 490453905 /nfs/dbraw/zinc/45/39/05/490453905.db2.gz AKTYAJHOANLONT-HOTGVXAUSA-N 1 3 356.511 0.402 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000509811098 490467560 /nfs/dbraw/zinc/46/75/60/490467560.db2.gz JDQDTQALNNPHAC-UXLLHSPISA-N 1 3 356.511 0.339 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000509811098 490467567 /nfs/dbraw/zinc/46/75/67/490467567.db2.gz JDQDTQALNNPHAC-UXLLHSPISA-N 1 3 356.511 0.339 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000509811101 490467869 /nfs/dbraw/zinc/46/78/69/490467869.db2.gz JDQDTQALNNPHAC-ZOBUZTSGSA-N 1 3 356.511 0.339 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000509811101 490467875 /nfs/dbraw/zinc/46/78/75/490467875.db2.gz JDQDTQALNNPHAC-ZOBUZTSGSA-N 1 3 356.511 0.339 20 0 FCADHO CC[NH+](CC)CCSCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000468965882 490471302 /nfs/dbraw/zinc/47/13/02/490471302.db2.gz MXCVAONZLUJPLY-UHFFFAOYSA-N 1 3 370.563 0.828 20 0 FCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000422770983 490474603 /nfs/dbraw/zinc/47/46/03/490474603.db2.gz QYTRATFOQSVSFY-RDJZCZTQSA-N 1 3 353.488 0.925 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C[C@H]2N)cn1 ZINC000564842392 491330322 /nfs/dbraw/zinc/33/03/22/491330322.db2.gz GFJAPKPCSRKDIO-WNRNVDISSA-N 1 3 354.458 0.612 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422968252 490507863 /nfs/dbraw/zinc/50/78/63/490507863.db2.gz VYKRBLNMWUJUOE-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO COc1cccc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000571859491 491333322 /nfs/dbraw/zinc/33/33/22/491333322.db2.gz KNZCDDFFHKYYPP-UHFFFAOYSA-N 1 3 364.490 0.605 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000485392924 490528518 /nfs/dbraw/zinc/52/85/18/490528518.db2.gz XMUPJERVBPVXDM-INIZCTEOSA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000485392924 490528522 /nfs/dbraw/zinc/52/85/22/490528522.db2.gz XMUPJERVBPVXDM-INIZCTEOSA-N 1 3 367.538 0.912 20 0 FCADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000524783705 490560209 /nfs/dbraw/zinc/56/02/09/490560209.db2.gz XHFAULZIBSHQJG-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000524783705 490560211 /nfs/dbraw/zinc/56/02/11/490560211.db2.gz XHFAULZIBSHQJG-JKSUJKDBSA-N 1 3 351.495 0.419 20 0 FCADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000536711025 490609431 /nfs/dbraw/zinc/60/94/31/490609431.db2.gz VVBUDXWIQCWKRD-UHFFFAOYSA-N 1 3 352.479 0.407 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550122043 490626858 /nfs/dbraw/zinc/62/68/58/490626858.db2.gz ONZRCHKSDZJROY-KDOFPFPSSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501635906 490627345 /nfs/dbraw/zinc/62/73/45/490627345.db2.gz GVRXVVFZFNJFMG-IRXDYDNUSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501635906 490627348 /nfs/dbraw/zinc/62/73/48/490627348.db2.gz GVRXVVFZFNJFMG-IRXDYDNUSA-N 1 3 366.506 0.156 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501645078 490629139 /nfs/dbraw/zinc/62/91/39/490629139.db2.gz YZLZEDZACPHMRR-MRXNPFEDSA-N 1 3 368.522 0.402 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501648119 490631621 /nfs/dbraw/zinc/63/16/21/490631621.db2.gz XXWKQPOKLLTIBL-OAHLLOKOSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)N1CCc2ccccc21 ZINC000512249188 490668526 /nfs/dbraw/zinc/66/85/26/490668526.db2.gz LYCIDMVWORXVCH-SFHVURJKSA-N 1 3 374.529 0.944 20 0 FCADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc(OC)c1 ZINC000526131769 490677397 /nfs/dbraw/zinc/67/73/97/490677397.db2.gz WNTCKYSAAOTHJI-UHFFFAOYSA-N 1 3 366.462 0.594 20 0 FCADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512809768 490699652 /nfs/dbraw/zinc/69/96/52/490699652.db2.gz VWVNHBVABMRXTB-MSOLQXFVSA-N 1 3 367.538 0.255 20 0 FCADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512809768 490699656 /nfs/dbraw/zinc/69/96/56/490699656.db2.gz VWVNHBVABMRXTB-MSOLQXFVSA-N 1 3 367.538 0.255 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513478351 490733396 /nfs/dbraw/zinc/73/33/96/490733396.db2.gz XEVMISRSMLQDIE-HZPDHXFCSA-N 1 3 370.538 0.696 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000514861881 490793506 /nfs/dbraw/zinc/79/35/06/490793506.db2.gz VKTQZMFMUOTUKE-VBQJREDUSA-N 1 3 362.474 0.111 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514999367 490801819 /nfs/dbraw/zinc/80/18/19/490801819.db2.gz GFFBTTLITVXHPX-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514999367 490801821 /nfs/dbraw/zinc/80/18/21/490801821.db2.gz GFFBTTLITVXHPX-QGZVFWFLSA-N 1 3 365.522 0.668 20 0 FCADHO CN1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](CN)C1 ZINC000557154449 491356957 /nfs/dbraw/zinc/35/69/57/491356957.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 1 3 359.518 0.835 20 0 FCADHO CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](CN)C1 ZINC000557154449 491356958 /nfs/dbraw/zinc/35/69/58/491356958.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 1 3 359.518 0.835 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CN(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000540322859 490817420 /nfs/dbraw/zinc/81/74/20/490817420.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 1 3 356.555 0.414 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000540322859 490817422 /nfs/dbraw/zinc/81/74/22/490817422.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 1 3 356.555 0.414 20 0 FCADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000515385008 490823616 /nfs/dbraw/zinc/82/36/16/490823616.db2.gz STWHZWIMCLAEQZ-IRXDYDNUSA-N 1 3 355.504 0.273 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC000565184921 491358472 /nfs/dbraw/zinc/35/84/72/491358472.db2.gz DVMLABDTRXWHBE-DLBZAZTESA-N 1 3 366.506 0.332 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000505806191 490840380 /nfs/dbraw/zinc/84/03/80/490840380.db2.gz DGBAELHKSOPPTK-HOTGVXAUSA-N 1 3 353.511 0.652 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000505806191 490840382 /nfs/dbraw/zinc/84/03/82/490840382.db2.gz DGBAELHKSOPPTK-HOTGVXAUSA-N 1 3 353.511 0.652 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000516569595 490869063 /nfs/dbraw/zinc/86/90/63/490869063.db2.gz VXSIMRHIQUBHGK-INIZCTEOSA-N 1 3 355.508 0.436 20 0 FCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000516786819 490878063 /nfs/dbraw/zinc/87/80/63/490878063.db2.gz GWNLHDQRJPFNHR-BZUAXINKSA-N 1 3 351.495 0.452 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000516786819 490878066 /nfs/dbraw/zinc/87/80/66/490878066.db2.gz GWNLHDQRJPFNHR-BZUAXINKSA-N 1 3 351.495 0.452 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000516882958 490883398 /nfs/dbraw/zinc/88/33/98/490883398.db2.gz JEKWEOPSZSNOQJ-UHFFFAOYSA-N 1 3 367.538 0.914 20 0 FCADHO CN1CCN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000517541851 490910945 /nfs/dbraw/zinc/91/09/45/490910945.db2.gz CCJLMUWSTQGDIK-QZTJIDSGSA-N 1 3 373.501 0.041 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000517616453 490914501 /nfs/dbraw/zinc/91/45/01/490914501.db2.gz KWYDQNANWWELBI-SJORKVTESA-N 1 3 368.522 0.279 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000517738689 490918503 /nfs/dbraw/zinc/91/85/03/490918503.db2.gz OSLWDPHYBWLRJR-IAGOWNOFSA-N 1 3 363.506 0.563 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000517738689 490918506 /nfs/dbraw/zinc/91/85/06/490918506.db2.gz OSLWDPHYBWLRJR-IAGOWNOFSA-N 1 3 363.506 0.563 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000530880864 490929900 /nfs/dbraw/zinc/92/99/00/490929900.db2.gz XNFOIKDIAPQFQW-KRWDZBQOSA-N 1 3 367.538 0.866 20 0 FCADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565255354 491366326 /nfs/dbraw/zinc/36/63/26/491366326.db2.gz RRZGZGMFZMQXHO-IAGOWNOFSA-N 1 3 359.474 0.592 20 0 FCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565255354 491366328 /nfs/dbraw/zinc/36/63/28/491366328.db2.gz RRZGZGMFZMQXHO-IAGOWNOFSA-N 1 3 359.474 0.592 20 0 FCADHO CN1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000531364873 490953952 /nfs/dbraw/zinc/95/39/52/490953952.db2.gz BISQOZFGTWNWBQ-INIZCTEOSA-N 1 3 351.495 0.465 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000531484730 490960300 /nfs/dbraw/zinc/96/03/00/490960300.db2.gz JCTSGPSCGJSJKV-KRWDZBQOSA-N 1 3 365.522 0.666 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000531484730 490960301 /nfs/dbraw/zinc/96/03/01/490960301.db2.gz JCTSGPSCGJSJKV-KRWDZBQOSA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000519227970 490966351 /nfs/dbraw/zinc/96/63/51/490966351.db2.gz WEZYRBRSGSWBRX-OAGGEKHMSA-N 1 3 354.495 0.012 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000532315166 490990822 /nfs/dbraw/zinc/99/08/22/490990822.db2.gz NXRLDAAKOHANBR-PBHICJAKSA-N 1 3 365.522 0.711 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553956604 491166586 /nfs/dbraw/zinc/16/65/86/491166586.db2.gz JVNFDKBZYWBXJM-UHFFFAOYSA-N 1 3 370.538 0.792 20 0 FCADHO COCC1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CC[NH2+]CC1 ZINC000572467252 491371905 /nfs/dbraw/zinc/37/19/05/491371905.db2.gz VQOHIJWNMKVYNH-UHFFFAOYSA-N 1 3 368.522 0.756 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000572509526 491375397 /nfs/dbraw/zinc/37/53/97/491375397.db2.gz NUDCGWQSQCBYRP-JKSUJKDBSA-N 1 3 356.511 0.402 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000572509526 491375400 /nfs/dbraw/zinc/37/54/00/491375400.db2.gz NUDCGWQSQCBYRP-JKSUJKDBSA-N 1 3 356.511 0.402 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673512458 493337910 /nfs/dbraw/zinc/33/79/10/493337910.db2.gz GMHPGHBFEWRTOU-UXHICEINSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512458 493337913 /nfs/dbraw/zinc/33/79/13/493337913.db2.gz GMHPGHBFEWRTOU-UXHICEINSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673512458 493337914 /nfs/dbraw/zinc/33/79/14/493337914.db2.gz GMHPGHBFEWRTOU-UXHICEINSA-N 1 3 372.513 0.866 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000557554533 491382199 /nfs/dbraw/zinc/38/21/99/491382199.db2.gz MPDKFALJADESOM-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000565764342 491398349 /nfs/dbraw/zinc/39/83/49/491398349.db2.gz GEJWIGCZUOWMCB-OALUTQOASA-N 1 3 359.518 0.848 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000565812918 491400887 /nfs/dbraw/zinc/40/08/87/491400887.db2.gz AJMLIHHIIHUBOT-UHFFFAOYSA-N 1 3 369.491 0.106 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070844 491410043 /nfs/dbraw/zinc/41/00/43/491410043.db2.gz ASXIDAGRMKGRPI-GXTWGEPZSA-N 1 3 350.467 1.384 20 0 FCADHO CN1CCC(C[NH2+]C[C@@H](O)COc2ccccc2)(N2CCOCC2)CC1 ZINC000566118894 491418786 /nfs/dbraw/zinc/41/87/86/491418786.db2.gz JLQRINLQDOFYQC-GOSISDBHSA-N 1 3 363.502 0.813 20 0 FCADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+](C)C ZINC000573221458 491420328 /nfs/dbraw/zinc/42/03/28/491420328.db2.gz DCEFHOYGWUSCGT-ONIAQPFYSA-N 1 3 373.501 0.940 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000573570212 491441025 /nfs/dbraw/zinc/44/10/25/491441025.db2.gz MLIKIXQHNRTCIA-QZTJIDSGSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000573570212 491441027 /nfs/dbraw/zinc/44/10/27/491441027.db2.gz MLIKIXQHNRTCIA-QZTJIDSGSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000573570210 491441265 /nfs/dbraw/zinc/44/12/65/491441265.db2.gz MLIKIXQHNRTCIA-MSOLQXFVSA-N 1 3 362.518 0.873 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000573570210 491441268 /nfs/dbraw/zinc/44/12/68/491441268.db2.gz MLIKIXQHNRTCIA-MSOLQXFVSA-N 1 3 362.518 0.873 20 0 FCADHO O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000574032711 491470047 /nfs/dbraw/zinc/47/00/47/491470047.db2.gz QOFUOWJMXQHDBE-INDMIFKZSA-N 1 3 368.481 0.397 20 0 FCADHO Cc1c(C(=O)Nc2ccc(N3CCNCC3)cn2)nnn1C1CC[NH2+]CC1 ZINC000574275896 491485658 /nfs/dbraw/zinc/48/56/58/491485658.db2.gz SZWVFNDHAWVUTC-UHFFFAOYSA-N 1 3 370.461 0.568 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559868016 491506614 /nfs/dbraw/zinc/50/66/14/491506614.db2.gz WZKJZBFNHIEXDI-MRRJBJDNSA-N 1 3 354.520 0.139 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559906966 491509723 /nfs/dbraw/zinc/50/97/23/491509723.db2.gz KAZMPBGAPSOXRL-KRWDZBQOSA-N 1 3 350.507 0.968 20 0 FCADHO COC[C@]1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496285 491510196 /nfs/dbraw/zinc/51/01/96/491510196.db2.gz VAXMFPCUGPYXJD-JXFKEZNVSA-N 1 3 374.485 0.949 20 0 FCADHO COCCNCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000567499270 491510624 /nfs/dbraw/zinc/51/06/24/491510624.db2.gz PQIZVXHESHUVBC-UHFFFAOYSA-N 1 3 354.495 0.063 20 0 FCADHO Cc1cc(NC(=O)CCNCc2cccc(C(=O)NCC[NH+](C)C)c2)no1 ZINC000567682307 491522803 /nfs/dbraw/zinc/52/28/03/491522803.db2.gz NAQOUHRNCWHORM-UHFFFAOYSA-N 1 3 373.457 1.393 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000560298991 491529240 /nfs/dbraw/zinc/52/92/40/491529240.db2.gz BVIIZHDEFXQNNE-UHFFFAOYSA-N 1 3 356.511 0.450 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295694 491567924 /nfs/dbraw/zinc/56/79/24/491567924.db2.gz LUFXNSQDHACJEI-FGTMMUONSA-N 1 3 371.485 0.604 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295694 491567926 /nfs/dbraw/zinc/56/79/26/491567926.db2.gz LUFXNSQDHACJEI-FGTMMUONSA-N 1 3 371.485 0.604 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000568373556 491572104 /nfs/dbraw/zinc/57/21/04/491572104.db2.gz FZMVBOXZEJVIJZ-QKPAOTATSA-N 1 3 350.507 0.809 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000575973967 491573494 /nfs/dbraw/zinc/57/34/94/491573494.db2.gz DYUHPUFZNGJDJV-MRXNPFEDSA-N 1 3 362.474 0.441 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000668420883 493351627 /nfs/dbraw/zinc/35/16/27/493351627.db2.gz NMELHVWMHKHFDB-OAHLLOKOSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000561267024 491591094 /nfs/dbraw/zinc/59/10/94/491591094.db2.gz VMQRXNTYOFMHGH-UHFFFAOYSA-N 1 3 352.504 0.754 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000584496529 491597487 /nfs/dbraw/zinc/59/74/87/491597487.db2.gz HSNFNYJXSYUNMH-HZPDHXFCSA-N 1 3 350.507 0.943 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000584496529 491597490 /nfs/dbraw/zinc/59/74/90/491597490.db2.gz HSNFNYJXSYUNMH-HZPDHXFCSA-N 1 3 350.507 0.943 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000584496530 491597620 /nfs/dbraw/zinc/59/76/20/491597620.db2.gz HSNFNYJXSYUNMH-JKSUJKDBSA-N 1 3 350.507 0.943 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000584496530 491597623 /nfs/dbraw/zinc/59/76/23/491597623.db2.gz HSNFNYJXSYUNMH-JKSUJKDBSA-N 1 3 350.507 0.943 20 0 FCADHO CCCc1csc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000584507607 491598336 /nfs/dbraw/zinc/59/83/36/491598336.db2.gz PJYNWOYEGMSBRV-UHFFFAOYSA-N 1 3 355.508 0.986 20 0 FCADHO CC[NH+]1CCC(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000568667177 491598941 /nfs/dbraw/zinc/59/89/41/491598941.db2.gz SYNXGRQXQWPFTH-QGZVFWFLSA-N 1 3 367.538 0.960 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000576371340 491609174 /nfs/dbraw/zinc/60/91/74/491609174.db2.gz KPFJFWNFCFDYPC-UHFFFAOYSA-N 1 3 362.474 0.990 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](C3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000568857695 491613997 /nfs/dbraw/zinc/61/39/97/491613997.db2.gz MBNPZZQRODGNHU-HLIPFELVSA-N 1 3 368.566 0.605 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000568857696 491614140 /nfs/dbraw/zinc/61/41/40/491614140.db2.gz MBNPZZQRODGNHU-MBOZVWFJSA-N 1 3 368.566 0.605 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000577410631 491620603 /nfs/dbraw/zinc/62/06/03/491620603.db2.gz DDEOVJWVNASZQG-MSOLQXFVSA-N 1 3 367.534 0.944 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN4CCOC[C@@H]4C3)CC2)CC1 ZINC000577413108 491620616 /nfs/dbraw/zinc/62/06/16/491620616.db2.gz QRPMMJNCPMOYOT-IBGZPJMESA-N 1 3 364.534 0.726 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412666 491620710 /nfs/dbraw/zinc/62/07/10/491620710.db2.gz VOUICTIBILAPNW-COFNUEQOSA-N 1 3 361.490 0.093 20 0 FCADHO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)C(=O)NCCN1CCCCC1 ZINC000577488748 491626062 /nfs/dbraw/zinc/62/60/62/491626062.db2.gz DNJTYSBEZYWDMI-JTDSTZFVSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCN1C ZINC000561997892 491645360 /nfs/dbraw/zinc/64/53/60/491645360.db2.gz XROVUMXUPSVTTI-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCN1C ZINC000561997892 491645362 /nfs/dbraw/zinc/64/53/62/491645362.db2.gz XROVUMXUPSVTTI-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO [NH3+]C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCCC1 ZINC000577726481 491646411 /nfs/dbraw/zinc/64/64/11/491646411.db2.gz HRRDLVKBDVRBJH-UHFFFAOYSA-N 1 3 351.495 0.598 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000577798401 491653090 /nfs/dbraw/zinc/65/30/90/491653090.db2.gz PCGHDFSDBOKENK-RHSMWYFYSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000569409084 491659622 /nfs/dbraw/zinc/65/96/22/491659622.db2.gz MVOFAKBJDZVQQL-KBMXLJTQSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000569409084 491659625 /nfs/dbraw/zinc/65/96/25/491659625.db2.gz MVOFAKBJDZVQQL-KBMXLJTQSA-N 1 3 350.507 0.822 20 0 FCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576959181 491660511 /nfs/dbraw/zinc/66/05/11/491660511.db2.gz XWVBKCCKCLQDIA-OWCLPIDISA-N 1 3 351.495 0.594 20 0 FCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576959181 491660515 /nfs/dbraw/zinc/66/05/15/491660515.db2.gz XWVBKCCKCLQDIA-OWCLPIDISA-N 1 3 351.495 0.594 20 0 FCADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000576987031 491662933 /nfs/dbraw/zinc/66/29/33/491662933.db2.gz STJLCKNYAKUFIJ-RTBURBONSA-N 1 3 357.502 0.800 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CC2)CC1 ZINC000577962188 491666064 /nfs/dbraw/zinc/66/60/64/491666064.db2.gz NMEQNBIPISJFRX-ROUUACIJSA-N 1 3 352.523 0.316 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578134756 491670771 /nfs/dbraw/zinc/67/07/71/491670771.db2.gz CKKUPVABXDRIQB-AEFFLSMTSA-N 1 3 372.517 0.835 20 0 FCADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000578339472 491675218 /nfs/dbraw/zinc/67/52/18/491675218.db2.gz HGAJZGFRRKVHST-IAGOWNOFSA-N 1 3 365.522 0.698 20 0 FCADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000579130155 491691740 /nfs/dbraw/zinc/69/17/40/491691740.db2.gz NJTNERQCIJHYGE-IAGOWNOFSA-N 1 3 359.474 0.244 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCCCCC1 ZINC000579572918 491700671 /nfs/dbraw/zinc/70/06/71/491700671.db2.gz HGMDXVHIDBJBPR-DLBZAZTESA-N 1 3 367.538 0.105 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@@H]1C[NH3+] ZINC000579607391 491701431 /nfs/dbraw/zinc/70/14/31/491701431.db2.gz WEKDRAPBBJCHHV-IKGGRYGDSA-N 1 3 350.507 0.907 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758594 491731639 /nfs/dbraw/zinc/73/16/39/491731639.db2.gz FTCWHWVFYQIUPS-QGZVFWFLSA-N 1 3 361.490 0.686 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)c1ccncc1 ZINC000586758594 491731641 /nfs/dbraw/zinc/73/16/41/491731641.db2.gz FTCWHWVFYQIUPS-QGZVFWFLSA-N 1 3 361.490 0.686 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100178 491734844 /nfs/dbraw/zinc/73/48/44/491734844.db2.gz WBPPURCXGMENPL-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000587100178 491734845 /nfs/dbraw/zinc/73/48/45/491734845.db2.gz WBPPURCXGMENPL-SJORKVTESA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000587100109 491734892 /nfs/dbraw/zinc/73/48/92/491734892.db2.gz OUUYWZDMRJSAAG-ULQDDVLXSA-N 1 3 365.522 0.855 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000587100109 491734893 /nfs/dbraw/zinc/73/48/93/491734893.db2.gz OUUYWZDMRJSAAG-ULQDDVLXSA-N 1 3 365.522 0.855 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](CN)C1 ZINC000580533515 491734976 /nfs/dbraw/zinc/73/49/76/491734976.db2.gz VDODROFUVLPJDN-IRXDYDNUSA-N 1 3 365.522 0.001 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](CN)C1 ZINC000580533515 491734977 /nfs/dbraw/zinc/73/49/77/491734977.db2.gz VDODROFUVLPJDN-IRXDYDNUSA-N 1 3 365.522 0.001 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NCCN1CCCCCC1 ZINC000580613197 491738849 /nfs/dbraw/zinc/73/88/49/491738849.db2.gz ZQIDZCXWMKZWJZ-SJORKVTESA-N 1 3 365.522 0.905 20 0 FCADHO O=C(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NCCN1CCCCCC1 ZINC000580613197 491738851 /nfs/dbraw/zinc/73/88/51/491738851.db2.gz ZQIDZCXWMKZWJZ-SJORKVTESA-N 1 3 365.522 0.905 20 0 FCADHO CC(C)n1cc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000580667899 491740909 /nfs/dbraw/zinc/74/09/09/491740909.db2.gz UDCBZYCAXDFNLY-OAHLLOKOSA-N 1 3 366.510 0.593 20 0 FCADHO CCc1nc(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)sc1C ZINC000580692621 491741719 /nfs/dbraw/zinc/74/17/19/491741719.db2.gz YROFKAPNRAKNID-UHFFFAOYSA-N 1 3 355.508 0.904 20 0 FCADHO CCc1nc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000580692621 491741720 /nfs/dbraw/zinc/74/17/20/491741720.db2.gz YROFKAPNRAKNID-UHFFFAOYSA-N 1 3 355.508 0.904 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589219131 491757664 /nfs/dbraw/zinc/75/76/64/491757664.db2.gz BRYBOQRYNJHHQT-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000581613735 491780067 /nfs/dbraw/zinc/78/00/67/491780067.db2.gz UYLCJCLJGYUNPZ-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000581613735 491780069 /nfs/dbraw/zinc/78/00/69/491780069.db2.gz UYLCJCLJGYUNPZ-HOTGVXAUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000581839541 491787037 /nfs/dbraw/zinc/78/70/37/491787037.db2.gz LSOGUPFFAUHFSY-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028227 491795040 /nfs/dbraw/zinc/79/50/40/491795040.db2.gz GINCNLQPHIQTJN-YCPHGPKFSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CN1C1CC1 ZINC000582028227 491795041 /nfs/dbraw/zinc/79/50/41/491795041.db2.gz GINCNLQPHIQTJN-YCPHGPKFSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585257 493364303 /nfs/dbraw/zinc/36/43/03/493364303.db2.gz PHEFXHWJJNDHDP-IRXDYDNUSA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585257 493364306 /nfs/dbraw/zinc/36/43/06/493364306.db2.gz PHEFXHWJJNDHDP-IRXDYDNUSA-N 1 3 367.538 0.993 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000591285618 491800802 /nfs/dbraw/zinc/80/08/02/491800802.db2.gz HXRGTIYKKCDSKG-UHFFFAOYSA-N 1 3 370.519 0.218 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668499216 493365082 /nfs/dbraw/zinc/36/50/82/493365082.db2.gz CJDWANCNRYWLSZ-DOTOQJQBSA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668501087 493365455 /nfs/dbraw/zinc/36/54/55/493365455.db2.gz IZSDVYMFAVEDDY-NVXWUHKLSA-N 1 3 366.506 0.347 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)C2)nn1 ZINC000583142736 491838889 /nfs/dbraw/zinc/83/88/89/491838889.db2.gz IXHGPKVMRCPRDQ-PKOBYXMFSA-N 1 3 354.458 0.832 20 0 FCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@]3(C1)CCCN(C)C3)CC[NH2+]CC2 ZINC000583807773 491852353 /nfs/dbraw/zinc/85/23/53/491852353.db2.gz ZPJRUZYIWJNHEG-UZLBHIALSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000584079034 491858108 /nfs/dbraw/zinc/85/81/08/491858108.db2.gz KYEPDXOWUHIFCU-ANQUJSFKSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000584079034 491858109 /nfs/dbraw/zinc/85/81/09/491858109.db2.gz KYEPDXOWUHIFCU-ANQUJSFKSA-N 1 3 350.507 0.822 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881719 491871005 /nfs/dbraw/zinc/87/10/05/491871005.db2.gz GWKYYCKEALDNJF-BRWVUGGUSA-N 1 3 357.458 0.064 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CCN2C1=O ZINC000594881719 491871006 /nfs/dbraw/zinc/87/10/06/491871006.db2.gz GWKYYCKEALDNJF-BRWVUGGUSA-N 1 3 357.458 0.064 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC000601313163 491903305 /nfs/dbraw/zinc/90/33/05/491903305.db2.gz POOIOMYHPJMDCT-GOSISDBHSA-N 1 3 362.522 0.685 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595266488 491909266 /nfs/dbraw/zinc/90/92/66/491909266.db2.gz WYSUCGSMPHZBKX-QKPAOTATSA-N 1 3 351.495 0.308 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595266488 491909268 /nfs/dbraw/zinc/90/92/68/491909268.db2.gz WYSUCGSMPHZBKX-QKPAOTATSA-N 1 3 351.495 0.308 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271358 491909599 /nfs/dbraw/zinc/90/95/99/491909599.db2.gz QTQIAFXXOVLZDZ-YLFCFFPRSA-N 1 3 357.458 0.086 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000612546004 491931472 /nfs/dbraw/zinc/93/14/72/491931472.db2.gz OFHGNGSZQMRSIP-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612602105 491938328 /nfs/dbraw/zinc/93/83/28/491938328.db2.gz VUDOICBNYNERAY-QGZVFWFLSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612929149 491958930 /nfs/dbraw/zinc/95/89/30/491958930.db2.gz IFEGUXXKPQJLJC-ZNMIVQPWSA-N 1 3 363.510 0.834 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612929141 491958953 /nfs/dbraw/zinc/95/89/53/491958953.db2.gz IFEGUXXKPQJLJC-KKUMJFAQSA-N 1 3 363.510 0.834 20 0 FCADHO CSC1(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[NH+](C)CC1 ZINC000596605213 491992390 /nfs/dbraw/zinc/99/23/90/491992390.db2.gz RRWKIHXXEYELMT-UHFFFAOYSA-N 1 3 373.567 0.475 20 0 FCADHO COC(=O)C(C)(C)n1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000597101977 492016047 /nfs/dbraw/zinc/01/60/47/492016047.db2.gz UVZFSMJHJAKMGW-UHFFFAOYSA-N 1 3 368.482 0.748 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604194188 492053587 /nfs/dbraw/zinc/05/35/87/492053587.db2.gz FSOYBPMISDDBDC-IRXDYDNUSA-N 1 3 366.554 0.090 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604194188 492053589 /nfs/dbraw/zinc/05/35/89/492053589.db2.gz FSOYBPMISDDBDC-IRXDYDNUSA-N 1 3 366.554 0.090 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604194188 492053591 /nfs/dbraw/zinc/05/35/91/492053591.db2.gz FSOYBPMISDDBDC-IRXDYDNUSA-N 1 3 366.554 0.090 20 0 FCADHO CN1CCN(CC2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC000615274033 492083740 /nfs/dbraw/zinc/08/37/40/492083740.db2.gz KBSLCRDOYSKDQE-UHFFFAOYSA-N 1 3 364.534 0.727 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](O)C3CCOCC3)CC2)CC1 ZINC000605882967 492104880 /nfs/dbraw/zinc/10/48/80/492104880.db2.gz PXEQCYNAGNSHIV-GOSISDBHSA-N 1 3 368.522 0.632 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCN2C(=O)CCC2=O)CC1 ZINC000606539645 492124332 /nfs/dbraw/zinc/12/43/32/492124332.db2.gz WPQXGVGUYZYKRS-UHFFFAOYSA-N 1 3 366.506 0.696 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnnn1-c1ccccc1 ZINC000607242045 492141615 /nfs/dbraw/zinc/14/16/15/492141615.db2.gz QUPAEAWSZMUQKW-UHFFFAOYSA-N 1 3 360.466 0.297 20 0 FCADHO CC(C)[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)N1CCOCC1 ZINC000607229383 492141705 /nfs/dbraw/zinc/14/17/05/492141705.db2.gz UNTLZQDLXDUNJG-QGZVFWFLSA-N 1 3 357.543 0.478 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250021 492148934 /nfs/dbraw/zinc/14/89/34/492148934.db2.gz HWKHQYOEMXAURV-INIZCTEOSA-N 1 3 365.478 0.544 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)cn1 ZINC000599250021 492148935 /nfs/dbraw/zinc/14/89/35/492148935.db2.gz HWKHQYOEMXAURV-INIZCTEOSA-N 1 3 365.478 0.544 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3nnnn3C3CC3)CC2)CC1 ZINC000608423690 492176112 /nfs/dbraw/zinc/17/61/12/492176112.db2.gz RLUZUPZSTBJVAA-UHFFFAOYSA-N 1 3 362.482 0.366 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1=O ZINC000618659868 492233644 /nfs/dbraw/zinc/23/36/44/492233644.db2.gz GKOJIZLMEJYRQF-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1=O ZINC000618659868 492233645 /nfs/dbraw/zinc/23/36/45/492233645.db2.gz GKOJIZLMEJYRQF-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCc2ccccc2[C@H]1CN)C1CC[NH+](C)CC1 ZINC000647594851 492330897 /nfs/dbraw/zinc/33/08/97/492330897.db2.gz SIRXSEBHMHCGBF-KBXCAEBGSA-N 1 3 358.486 0.918 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N(C)Cc1ccccc1 ZINC000642262561 492346886 /nfs/dbraw/zinc/34/68/86/492346886.db2.gz BFWHTVFCBXIRDX-KBAYOESNSA-N 1 3 358.486 0.834 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCO1 ZINC000642262601 492347173 /nfs/dbraw/zinc/34/71/73/492347173.db2.gz KABAKNQXPFIGGC-ZOBUZTSGSA-N 1 3 362.474 0.198 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642330445 492352144 /nfs/dbraw/zinc/35/21/44/492352144.db2.gz KIEYYADTZMATMP-OWCLPIDISA-N 1 3 350.507 0.824 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000642382775 492355921 /nfs/dbraw/zinc/35/59/21/492355921.db2.gz RJXBFLRYUNJJAZ-CJNGLKHVSA-N 1 3 350.463 0.658 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1=O ZINC000621105065 492356647 /nfs/dbraw/zinc/35/66/47/492356647.db2.gz KPKLTDKCSJQXFQ-IRXDYDNUSA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1=O ZINC000621105065 492356649 /nfs/dbraw/zinc/35/66/49/492356649.db2.gz KPKLTDKCSJQXFQ-IRXDYDNUSA-N 1 3 350.507 0.635 20 0 FCADHO CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CCN1CC[NH2+]CC1 ZINC000647835881 492369935 /nfs/dbraw/zinc/36/99/35/492369935.db2.gz STTPSBKEEFLWRH-UHFFFAOYSA-N 1 3 367.881 0.605 20 0 FCADHO O=C(NC[C@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@H]1CCC[NH2+]1 ZINC000647905667 492380624 /nfs/dbraw/zinc/38/06/24/492380624.db2.gz LLPAOFIXBGDPKV-ZJPYXAASSA-N 1 3 350.507 0.430 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000642733850 492382786 /nfs/dbraw/zinc/38/27/86/492382786.db2.gz VAVQVBDODNHUEB-CGTJXYLNSA-N 1 3 374.485 0.514 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975909 492389622 /nfs/dbraw/zinc/38/96/22/492389622.db2.gz HNFKQVNCVBWULR-CGTJXYLNSA-N 1 3 350.507 0.777 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975910 492389636 /nfs/dbraw/zinc/38/96/36/492389636.db2.gz HNFKQVNCVBWULR-JQHSSLGASA-N 1 3 350.507 0.777 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647978420 492390699 /nfs/dbraw/zinc/39/06/99/492390699.db2.gz ROOOSUHJWLVWQC-FGTMMUONSA-N 1 3 350.507 0.825 20 0 FCADHO Cc1cc(N2CCC[C@H](N3CCN(CC4CC[NH2+]CC4)CC3)C2=O)n(C)n1 ZINC000647991259 492391372 /nfs/dbraw/zinc/39/13/72/492391372.db2.gz RLSMTSVDVCYEPK-SFHVURJKSA-N 1 3 374.533 0.841 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000642893339 492397389 /nfs/dbraw/zinc/39/73/89/492397389.db2.gz HUKOEJGCXXRYTM-GOSISDBHSA-N 1 3 358.486 0.835 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000642896484 492398490 /nfs/dbraw/zinc/39/84/90/492398490.db2.gz POTJQTFNWVXXJL-GOSISDBHSA-N 1 3 358.486 0.978 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982001 492410608 /nfs/dbraw/zinc/41/06/08/492410608.db2.gz NFASKZQFSFJIOY-QGZVFWFLSA-N 1 3 364.465 0.974 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000643007698 492413782 /nfs/dbraw/zinc/41/37/82/492413782.db2.gz XSLLWAZJXNNZGS-KZNAEPCWSA-N 1 3 358.486 0.963 20 0 FCADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCc3ccccc3[C@@H]2CN)nn1 ZINC000648199276 492414048 /nfs/dbraw/zinc/41/40/48/492414048.db2.gz SFNWDEMMLDRRKB-RYQLBKOJSA-N 1 3 370.457 0.065 20 0 FCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643419289 492454048 /nfs/dbraw/zinc/45/40/48/492454048.db2.gz HQOBHRJDUVRURX-INIZCTEOSA-N 1 3 359.474 0.578 20 0 FCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643419289 492454054 /nfs/dbraw/zinc/45/40/54/492454054.db2.gz HQOBHRJDUVRURX-INIZCTEOSA-N 1 3 359.474 0.578 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528232 492464032 /nfs/dbraw/zinc/46/40/32/492464032.db2.gz PMLAGRUEALWXEO-FUHWJXTLSA-N 1 3 369.473 0.968 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000635528232 492464035 /nfs/dbraw/zinc/46/40/35/492464035.db2.gz PMLAGRUEALWXEO-FUHWJXTLSA-N 1 3 369.473 0.968 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643489776 492479968 /nfs/dbraw/zinc/47/99/68/492479968.db2.gz LDEYEXAXCFJALZ-MRXNPFEDSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCO1 ZINC000643494596 492481323 /nfs/dbraw/zinc/48/13/23/492481323.db2.gz HRHZSGRGVSAYTH-JYJNAYRXSA-N 1 3 352.479 0.038 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)o1 ZINC000643494312 492481490 /nfs/dbraw/zinc/48/14/90/492481490.db2.gz QHFYMPOZKZUUSF-DOTOQJQBSA-N 1 3 362.474 0.689 20 0 FCADHO O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498740 492483132 /nfs/dbraw/zinc/48/31/32/492483132.db2.gz MTJJRZSMCIDZRD-ZWKOTPCHSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000643503516 492483807 /nfs/dbraw/zinc/48/38/07/492483807.db2.gz LNUYVVJIFPJITO-ZBFHGGJFSA-N 1 3 352.479 0.038 20 0 FCADHO CC[C@H]1CN(C(=O)C(=O)N(CCOC)CCN(CC)CC)CC[C@H]1[NH3+] ZINC000643511218 492485281 /nfs/dbraw/zinc/48/52/81/492485281.db2.gz SNACTVPLZIVBFI-JKSUJKDBSA-N 1 3 356.511 0.389 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643511191 492485768 /nfs/dbraw/zinc/48/57/68/492485768.db2.gz OSAJEVNOEFEQKK-IRXDYDNUSA-N 1 3 368.522 0.261 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643524409 492489849 /nfs/dbraw/zinc/48/98/49/492489849.db2.gz WJQCYCKAZYXXSK-ZBFHGGJFSA-N 1 3 364.515 0.849 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000643531925 492492303 /nfs/dbraw/zinc/49/23/03/492492303.db2.gz WYUWGYRYSXGOBH-OTWHNJEPSA-N 1 3 370.497 0.930 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643594551 492503646 /nfs/dbraw/zinc/50/36/46/492503646.db2.gz PLMWLNKAWYCPLC-HOTGVXAUSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643594550 492503765 /nfs/dbraw/zinc/50/37/65/492503765.db2.gz PLMWLNKAWYCPLC-CVEARBPZSA-N 1 3 350.507 0.776 20 0 FCADHO C[NH2+]CCc1ccccc1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000649340334 492538615 /nfs/dbraw/zinc/53/86/15/492538615.db2.gz RDVSJRNNUFQERW-UHFFFAOYSA-N 1 3 372.473 0.575 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347305 492542979 /nfs/dbraw/zinc/54/29/79/492542979.db2.gz PIYXTYDHFGYBDS-LSDHHAIUSA-N 1 3 370.457 1.000 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656301130 492578725 /nfs/dbraw/zinc/57/87/25/492578725.db2.gz HVDMFLSMHMDBOW-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355408 492610318 /nfs/dbraw/zinc/61/03/18/492610318.db2.gz KSSCCSLICIZEHL-QZWWFDLISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355408 492610321 /nfs/dbraw/zinc/61/03/21/492610321.db2.gz KSSCCSLICIZEHL-QZWWFDLISA-N 1 3 350.507 0.918 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357858 492611982 /nfs/dbraw/zinc/61/19/82/492611982.db2.gz HHYYHMDMDJZIJY-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357858 492611984 /nfs/dbraw/zinc/61/19/84/492611984.db2.gz HHYYHMDMDJZIJY-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357577 492612162 /nfs/dbraw/zinc/61/21/62/492612162.db2.gz ZMLLTTGCJXWWCG-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656357577 492612165 /nfs/dbraw/zinc/61/21/65/492612165.db2.gz ZMLLTTGCJXWWCG-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO O=C(NCCN1CC[C@@H](O)C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636587933 492630754 /nfs/dbraw/zinc/63/07/54/492630754.db2.gz PQWWXTDOZULIDQ-OAHLLOKOSA-N 1 3 356.536 0.714 20 0 FCADHO CCC1(N2CCOCC2)CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000629661747 492662525 /nfs/dbraw/zinc/66/25/25/492662525.db2.gz CGINLLVTDOOMAS-KRWDZBQOSA-N 1 3 352.523 0.761 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629801993 492680025 /nfs/dbraw/zinc/68/00/25/492680025.db2.gz QKRRZGZRWUHIKE-STQMWFEESA-N 1 3 366.428 0.771 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000651261389 492729907 /nfs/dbraw/zinc/72/99/07/492729907.db2.gz CTUICLCMUQMLLA-KURKYZTESA-N 1 3 353.507 0.960 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@H](C)O1 ZINC000644648635 492795917 /nfs/dbraw/zinc/79/59/17/492795917.db2.gz UKSRJSMNEFWVCQ-SOLBZPMBSA-N 1 3 366.506 0.582 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)CNCc2ccncc2OCC[NH+](C)C)C[C@@H](C)O1 ZINC000644648634 492796211 /nfs/dbraw/zinc/79/62/11/492796211.db2.gz UKSRJSMNEFWVCQ-NUJGCVRESA-N 1 3 366.506 0.582 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631275465 492808206 /nfs/dbraw/zinc/80/82/06/492808206.db2.gz FGRYDGGCVRFUSY-INIZCTEOSA-N 1 3 350.511 0.448 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1 ZINC000658261320 492856869 /nfs/dbraw/zinc/85/68/69/492856869.db2.gz LABUNCVACIQXPU-CYBMUJFWSA-N 1 3 350.467 0.372 20 0 FCADHO c1nc2n(n1)[C@H](CN1CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C1)CC2 ZINC000631830214 492858804 /nfs/dbraw/zinc/85/88/04/492858804.db2.gz MMHNHONSLNUFTE-CABCVRRESA-N 1 3 356.478 0.778 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000645183659 492876072 /nfs/dbraw/zinc/87/60/72/492876072.db2.gz LRXXHOWMKDSKNZ-ZIAGYGMSSA-N 1 3 350.488 0.869 20 0 FCADHO CN(C)CCOc1cccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000631913356 492879304 /nfs/dbraw/zinc/87/93/04/492879304.db2.gz JIMAIARTVAASLQ-UHFFFAOYSA-N 1 3 370.519 0.645 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278350 492888133 /nfs/dbraw/zinc/88/81/33/492888133.db2.gz DTDCHMZIVBDKGW-MRXNPFEDSA-N 1 3 354.495 0.603 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCNC[C@H]1c1cccc(F)c1 ZINC000631935877 492891366 /nfs/dbraw/zinc/89/13/66/492891366.db2.gz OHGVAXJADMKWKB-INIZCTEOSA-N 1 3 356.467 0.701 20 0 FCADHO CN(C)CCCS(=O)(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000631944949 492895189 /nfs/dbraw/zinc/89/51/89/492895189.db2.gz LDJZXKJZNQUERG-UHFFFAOYSA-N 1 3 368.547 0.851 20 0 FCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000638084169 492902731 /nfs/dbraw/zinc/90/27/31/492902731.db2.gz DBHMHQSPIBELKQ-APWZRJJASA-N 1 3 362.474 0.361 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1)[C@H]1CCCN(C)C1 ZINC000638123193 492910711 /nfs/dbraw/zinc/91/07/11/492910711.db2.gz PPQLALADRUACFT-SFHVURJKSA-N 1 3 373.501 0.697 20 0 FCADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638120518 492911199 /nfs/dbraw/zinc/91/11/99/492911199.db2.gz FGOCUPVBSXNEGK-UHFFFAOYSA-N 1 3 374.489 0.746 20 0 FCADHO O=C(CN1CC[NH2+]CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000638137548 492915796 /nfs/dbraw/zinc/91/57/96/492915796.db2.gz LAHMQEDPHPBGAO-UHFFFAOYSA-N 1 3 359.518 0.610 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000638140134 492917006 /nfs/dbraw/zinc/91/70/06/492917006.db2.gz VNSKBBHOKVLLKT-HKUYNNGSSA-N 1 3 360.502 0.803 20 0 FCADHO COc1cccc(C[C@H](N)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000638140134 492917010 /nfs/dbraw/zinc/91/70/10/492917010.db2.gz VNSKBBHOKVLLKT-HKUYNNGSSA-N 1 3 360.502 0.803 20 0 FCADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCCN1CCCC1 ZINC000632129302 492936090 /nfs/dbraw/zinc/93/60/90/492936090.db2.gz HJRKDDIRWFJMBB-IXDOHACOSA-N 1 3 359.536 0.986 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673253 492984736 /nfs/dbraw/zinc/98/47/36/492984736.db2.gz ITFIYNVKAPEIHK-OAGGEKHMSA-N 1 3 352.523 0.975 20 0 FCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652684573 492989815 /nfs/dbraw/zinc/98/98/15/492989815.db2.gz ROWUBUHKKYARPG-MWDXBVQZSA-N 1 3 368.522 0.578 20 0 FCADHO O=C(Nc1cc(N2CCNCC2)ccn1)C1(n2cccn2)CC[NH2+]CC1 ZINC000638984917 492990371 /nfs/dbraw/zinc/99/03/71/492990371.db2.gz VBVCPDIUKDDCEH-UHFFFAOYSA-N 1 3 355.446 0.405 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)N(C)C1CC1 ZINC000652686264 492990728 /nfs/dbraw/zinc/99/07/28/492990728.db2.gz CNNULBDTUBYOBB-WBTNSWJXSA-N 1 3 366.506 0.330 20 0 FCADHO CC1CCC(N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000646007247 493000575 /nfs/dbraw/zinc/00/05/75/493000575.db2.gz OWNUOPZUGAQBRC-JCYILVPMSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000639261041 493003676 /nfs/dbraw/zinc/00/36/76/493003676.db2.gz KFOHHNUXNZYITL-DLBZAZTESA-N 1 3 352.523 0.820 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000652737325 493013218 /nfs/dbraw/zinc/01/32/18/493013218.db2.gz GOKWDQCGIIRHNQ-INIZCTEOSA-N 1 3 366.506 0.145 20 0 FCADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633028190 493104972 /nfs/dbraw/zinc/10/49/72/493104972.db2.gz RKLTZCPOFBGADZ-IRXDYDNUSA-N 1 3 374.510 0.789 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000633039568 493109032 /nfs/dbraw/zinc/10/90/32/493109032.db2.gz LNYBEDBNOLBAQK-GJZGRUSLSA-N 1 3 359.474 0.715 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259099 493120839 /nfs/dbraw/zinc/12/08/39/493120839.db2.gz MZCGTTNWSHNCGR-SJORKVTESA-N 1 3 351.491 0.689 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627259099 493120842 /nfs/dbraw/zinc/12/08/42/493120842.db2.gz MZCGTTNWSHNCGR-SJORKVTESA-N 1 3 351.491 0.689 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106577 493129191 /nfs/dbraw/zinc/12/91/91/493129191.db2.gz VLZPFKRIYFZZPZ-OWCLPIDISA-N 1 3 354.495 0.155 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1=O ZINC000633106577 493129195 /nfs/dbraw/zinc/12/91/95/493129195.db2.gz VLZPFKRIYFZZPZ-OWCLPIDISA-N 1 3 354.495 0.155 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627318783 493150039 /nfs/dbraw/zinc/15/00/39/493150039.db2.gz AGLBDWDIYBLTRP-CMPLNLGQSA-N 1 3 350.385 0.183 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000659110850 493158417 /nfs/dbraw/zinc/15/84/17/493158417.db2.gz DJXULMZDLQRMMD-CQSZACIVSA-N 1 3 364.515 0.941 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000647091850 493162635 /nfs/dbraw/zinc/16/26/35/493162635.db2.gz QUKDIIDFQWCOBO-BRWVUGGUSA-N 1 3 363.506 0.608 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647103745 493164772 /nfs/dbraw/zinc/16/47/72/493164772.db2.gz WZTOEDMONFQESH-GASCZTMLSA-N 1 3 356.511 0.401 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641163443 493175418 /nfs/dbraw/zinc/17/54/18/493175418.db2.gz KSCNHTAGFIBCGK-UHFFFAOYSA-N 1 3 373.501 0.985 20 0 FCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659443276 493180047 /nfs/dbraw/zinc/18/00/47/493180047.db2.gz YYVZTGKVYCPVMW-FRRDWIJNSA-N 1 3 350.467 0.807 20 0 FCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659443276 493180052 /nfs/dbraw/zinc/18/00/52/493180052.db2.gz YYVZTGKVYCPVMW-FRRDWIJNSA-N 1 3 350.467 0.807 20 0 FCADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641215129 493182336 /nfs/dbraw/zinc/18/23/36/493182336.db2.gz NVMWTCXQKKHBMQ-LJQANCHMSA-N 1 3 358.490 0.219 20 0 FCADHO CN1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000627368537 493182518 /nfs/dbraw/zinc/18/25/18/493182518.db2.gz XHUKAWUNKXHERU-GZBFAFLISA-N 1 3 350.488 0.725 20 0 FCADHO [NH3+]CCn1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)nn1 ZINC000659285871 493182830 /nfs/dbraw/zinc/18/28/30/493182830.db2.gz SNAVYOFACFWCDD-UHFFFAOYSA-N 1 3 352.508 0.718 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000627373489 493185726 /nfs/dbraw/zinc/18/57/26/493185726.db2.gz SQHRYYLDIMCKQV-UHFFFAOYSA-N 1 3 362.474 0.067 20 0 FCADHO O[C@]1(Cn2cc(CN3CC[NH2+]CC3)nn2)CCN(Cc2ccccc2)C1 ZINC000641229111 493186200 /nfs/dbraw/zinc/18/62/00/493186200.db2.gz GKMXWIGBQUHIME-LJQANCHMSA-N 1 3 356.474 0.320 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000659318520 493189945 /nfs/dbraw/zinc/18/99/45/493189945.db2.gz JTVRHITUWCLRJS-UHFFFAOYSA-N 1 3 356.511 0.354 20 0 FCADHO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672711548 493238475 /nfs/dbraw/zinc/23/84/75/493238475.db2.gz GYICQAHMDODECB-UHFFFAOYSA-N 1 3 355.527 0.111 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCCC1 ZINC000659677964 493247584 /nfs/dbraw/zinc/24/75/84/493247584.db2.gz UXEUKHPIENDEIN-QGZVFWFLSA-N 1 3 374.485 0.257 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659687113 493253498 /nfs/dbraw/zinc/25/34/98/493253498.db2.gz QVNFBGAGVMLZRJ-UHFFFAOYSA-N 1 3 350.463 0.439 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659689610 493255269 /nfs/dbraw/zinc/25/52/69/493255269.db2.gz FXXIFOYIZPDCLF-UHFFFAOYSA-N 1 3 362.474 0.631 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000659703449 493263341 /nfs/dbraw/zinc/26/33/41/493263341.db2.gz CCOSLILOKKSISW-CVEARBPZSA-N 1 3 366.506 0.333 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCCC2)CC1 ZINC000659707406 493265335 /nfs/dbraw/zinc/26/53/35/493265335.db2.gz IKIXXYULLVDCLD-UHFFFAOYSA-N 1 3 368.522 0.722 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719536 493271331 /nfs/dbraw/zinc/27/13/31/493271331.db2.gz YSVHTLXLYQMFGP-LZWOXQAQSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719536 493271334 /nfs/dbraw/zinc/27/13/34/493271334.db2.gz YSVHTLXLYQMFGP-LZWOXQAQSA-N 1 3 366.506 0.739 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659726897 493274275 /nfs/dbraw/zinc/27/42/75/493274275.db2.gz CMVNZUHNRMMGMW-UHFFFAOYSA-N 1 3 361.490 0.478 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCCO1 ZINC000659734738 493278757 /nfs/dbraw/zinc/27/87/57/493278757.db2.gz BRKQLNDRFUSVMR-ZBFHGGJFSA-N 1 3 352.479 0.086 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659739083 493280377 /nfs/dbraw/zinc/28/03/77/493280377.db2.gz MYCPZGCOMSHRIF-IKGGRYGDSA-N 1 3 350.507 0.968 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000659739085 493280541 /nfs/dbraw/zinc/28/05/41/493280541.db2.gz MYCPZGCOMSHRIF-ULQDDVLXSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000659752828 493286616 /nfs/dbraw/zinc/28/66/16/493286616.db2.gz NYUIRBVTTZMJGN-GFCCVEGCSA-N 1 3 356.417 0.579 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@@H]1CN ZINC000659757425 493286973 /nfs/dbraw/zinc/28/69/73/493286973.db2.gz YDHDHFJDNVJPHA-RHSMWYFYSA-N 1 3 350.507 0.810 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000667536578 493289351 /nfs/dbraw/zinc/28/93/51/493289351.db2.gz CZIHBKDIWCMPLU-RHSMWYFYSA-N 1 3 360.458 0.776 20 0 FCADHO CCCN1CC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000660624863 493367794 /nfs/dbraw/zinc/36/77/94/493367794.db2.gz IQUAITBAIWVIEK-INIZCTEOSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000668581695 493378149 /nfs/dbraw/zinc/37/81/49/493378149.db2.gz JNGRDNCYOGVQAZ-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCSC1 ZINC000660824095 493382253 /nfs/dbraw/zinc/38/22/53/493382253.db2.gz JXQMZXOIUQJEGZ-RDJZCZTQSA-N 1 3 356.536 0.976 20 0 FCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668624931 493386215 /nfs/dbraw/zinc/38/62/15/493386215.db2.gz CXZUQGZGYWKPML-GOEBONIOSA-N 1 3 354.495 0.202 20 0 FCADHO CCN(CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000668776592 493408500 /nfs/dbraw/zinc/40/85/00/493408500.db2.gz DELNOGBYPRUEON-UHFFFAOYSA-N 1 3 350.507 0.825 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000669035303 493455891 /nfs/dbraw/zinc/45/58/91/493455891.db2.gz BYFRHXLSPGFRPK-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291429 493504054 /nfs/dbraw/zinc/50/40/54/493504054.db2.gz RZEYRBZDBJODAE-YOEHRIQHSA-N 1 3 350.507 0.810 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295940 493504400 /nfs/dbraw/zinc/50/44/00/493504400.db2.gz JDTWGECYOIRWKI-YJBOKZPZSA-N 1 3 350.507 0.777 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669491033 493507226 /nfs/dbraw/zinc/50/72/26/493507226.db2.gz IZHFMLWNBKDIAV-JKSUJKDBSA-N 1 3 351.495 0.500 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491030 493507340 /nfs/dbraw/zinc/50/73/40/493507340.db2.gz IZHFMLWNBKDIAV-CVEARBPZSA-N 1 3 351.495 0.500 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000676166727 493528607 /nfs/dbraw/zinc/52/86/07/493528607.db2.gz DKLNSNRPTWCNPB-MSOLQXFVSA-N 1 3 368.522 0.774 20 0 FCADHO CN(CCN1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000662721064 493534819 /nfs/dbraw/zinc/53/48/19/493534819.db2.gz PUAZULUPNFUFMI-OALUTQOASA-N 1 3 360.502 0.626 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662871620 493548829 /nfs/dbraw/zinc/54/88/29/493548829.db2.gz ATMBOQPJHUTOBB-MJGOQNOKSA-N 1 3 360.502 0.861 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662871620 493548830 /nfs/dbraw/zinc/54/88/30/493548830.db2.gz ATMBOQPJHUTOBB-MJGOQNOKSA-N 1 3 360.502 0.861 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000662950030 493559607 /nfs/dbraw/zinc/55/96/07/493559607.db2.gz FMQPKBJSSSYQCG-ZWKOTPCHSA-N 1 3 358.486 0.582 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662962502 493561571 /nfs/dbraw/zinc/56/15/71/493561571.db2.gz JVEWPECAJBHEAC-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO COC1CCN(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000677579681 493609223 /nfs/dbraw/zinc/60/92/23/493609223.db2.gz YSMAUKPKOMBZQR-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000670997793 493621993 /nfs/dbraw/zinc/62/19/93/493621993.db2.gz LEXOAJBBZOATBI-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000670997793 493621995 /nfs/dbraw/zinc/62/19/95/493621995.db2.gz LEXOAJBBZOATBI-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100327 493632779 /nfs/dbraw/zinc/63/27/79/493632779.db2.gz BJPUYIAHZWGCAT-ULQDDVLXSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100327 493632782 /nfs/dbraw/zinc/63/27/82/493632782.db2.gz BJPUYIAHZWGCAT-ULQDDVLXSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000671103796 493634054 /nfs/dbraw/zinc/63/40/54/493634054.db2.gz IYVMTPAHELBXIW-IXDOHACOSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(C)CC1 ZINC000671103796 493634056 /nfs/dbraw/zinc/63/40/56/493634056.db2.gz IYVMTPAHELBXIW-IXDOHACOSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105119 493635107 /nfs/dbraw/zinc/63/51/07/493635107.db2.gz HVGXZIQBWCDPPK-XHSDSOJGSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671105119 493635108 /nfs/dbraw/zinc/63/51/08/493635108.db2.gz HVGXZIQBWCDPPK-XHSDSOJGSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107191 493636052 /nfs/dbraw/zinc/63/60/52/493636052.db2.gz GTCNOGWANXTLDY-WCXIOVBPSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107191 493636056 /nfs/dbraw/zinc/63/60/56/493636056.db2.gz GTCNOGWANXTLDY-WCXIOVBPSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108376 493636372 /nfs/dbraw/zinc/63/63/72/493636372.db2.gz XTPUUIWRUAQBTC-QZWWFDLISA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108376 493636375 /nfs/dbraw/zinc/63/63/75/493636375.db2.gz XTPUUIWRUAQBTC-QZWWFDLISA-N 1 3 350.507 0.966 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000664141317 493639522 /nfs/dbraw/zinc/63/95/22/493639522.db2.gz MSMSTWWYPYXQBS-QZWWFDLISA-N 1 3 356.511 0.440 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000664141317 493639524 /nfs/dbraw/zinc/63/95/24/493639524.db2.gz MSMSTWWYPYXQBS-QZWWFDLISA-N 1 3 356.511 0.440 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000664662193 493676044 /nfs/dbraw/zinc/67/60/44/493676044.db2.gz GUAQLFMQENQSRM-UHFFFAOYSA-N 1 3 355.527 0.770 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000680011371 493705239 /nfs/dbraw/zinc/70/52/39/493705239.db2.gz YQJNYAHNSFBXJI-INIZCTEOSA-N 1 3 352.523 0.630 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680011861 493705431 /nfs/dbraw/zinc/70/54/31/493705431.db2.gz GVCLDGHRCZKHFQ-SJLPKXTDSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680011861 493705433 /nfs/dbraw/zinc/70/54/33/493705433.db2.gz GVCLDGHRCZKHFQ-SJLPKXTDSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680011861 493705434 /nfs/dbraw/zinc/70/54/34/493705434.db2.gz GVCLDGHRCZKHFQ-SJLPKXTDSA-N 1 3 352.523 0.582 20 0 FCADHO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000680012559 493705450 /nfs/dbraw/zinc/70/54/50/493705450.db2.gz SJFGUXUAJKNOBE-SFHVURJKSA-N 1 3 366.550 0.972 20 0 FCADHO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000680012559 493705451 /nfs/dbraw/zinc/70/54/51/493705451.db2.gz SJFGUXUAJKNOBE-SFHVURJKSA-N 1 3 366.550 0.972 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCCC12CCN(C)CC2)C1CC[NH+](C)CC1 ZINC000672010083 493724215 /nfs/dbraw/zinc/72/42/15/493724215.db2.gz UBJRNQYJQBGFSZ-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000672010756 493724410 /nfs/dbraw/zinc/72/44/10/493724410.db2.gz DUVCRZDLJOIKTQ-NVXWUHKLSA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410948160 527891285 /nfs/dbraw/zinc/89/12/85/527891285.db2.gz SSJZVRNCZJNVCS-SJORKVTESA-N 1 3 350.507 0.872 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700407 527920774 /nfs/dbraw/zinc/92/07/74/527920774.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700407 527920779 /nfs/dbraw/zinc/92/07/79/527920779.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 1 3 369.554 0.269 20 0 FCADHO CCN1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C ZINC000410700407 527920780 /nfs/dbraw/zinc/92/07/80/527920780.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 1 3 369.554 0.269 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CCN1C ZINC000410730492 528710257 /nfs/dbraw/zinc/71/02/57/528710257.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 1 3 369.554 0.127 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCN1C ZINC000410730492 528710260 /nfs/dbraw/zinc/71/02/60/528710260.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 1 3 369.554 0.127 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CCN1C ZINC000410730492 528710266 /nfs/dbraw/zinc/71/02/66/528710266.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 1 3 369.554 0.127 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419698580 535072358 /nfs/dbraw/zinc/07/23/58/535072358.db2.gz PVONFDVJTRUNSV-BZUAXINKSA-N 1 3 368.522 0.842 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419698580 535072361 /nfs/dbraw/zinc/07/23/61/535072361.db2.gz PVONFDVJTRUNSV-BZUAXINKSA-N 1 3 368.522 0.842 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419284161 535217571 /nfs/dbraw/zinc/21/75/71/535217571.db2.gz KJVIMXBMVILQNO-DLBZAZTESA-N 1 3 368.522 0.579 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419851480 535523619 /nfs/dbraw/zinc/52/36/19/535523619.db2.gz OIJDDURCOWYGLG-UHFFFAOYSA-N 1 3 366.428 0.977 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000419369326 535669057 /nfs/dbraw/zinc/66/90/57/535669057.db2.gz HMHCUPLIYASZTF-ROUUACIJSA-N 1 3 360.502 0.924 20 0 FCADHO CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419377231 535669761 /nfs/dbraw/zinc/66/97/61/535669761.db2.gz UTLSYIXBAASHTC-BPQIPLTHSA-N 1 3 360.502 0.861 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446375236 535738946 /nfs/dbraw/zinc/73/89/46/535738946.db2.gz WEHCFNAXOYDTLJ-OAFZBRQQSA-N 1 3 352.523 0.661 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415274779 535750461 /nfs/dbraw/zinc/75/04/61/535750461.db2.gz XQBOQLPGXKIJOK-HNNXBMFYSA-N 1 3 359.474 0.717 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)c2)CC1 ZINC000415300805 535750964 /nfs/dbraw/zinc/75/09/64/535750964.db2.gz PPIIITZWUKNBCZ-MRXNPFEDSA-N 1 3 359.474 0.587 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1=O ZINC000424041121 535877092 /nfs/dbraw/zinc/87/70/92/535877092.db2.gz SPUALLYNPQZZBS-JLJPHGGASA-N 1 3 362.449 0.489 20 0 FCADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419768430 535895343 /nfs/dbraw/zinc/89/53/43/535895343.db2.gz CMKFLYZBNYLHAU-GOSISDBHSA-N 1 3 372.469 0.650 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1F ZINC000415274068 535906000 /nfs/dbraw/zinc/90/60/00/535906000.db2.gz SSNXLCBYXVXTOL-LBPRGKRZSA-N 1 3 352.410 0.654 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419754882 536349775 /nfs/dbraw/zinc/34/97/75/536349775.db2.gz BGZXRKIMNWDFFU-HNNXBMFYSA-N 1 3 350.507 0.825 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C1 ZINC000423464696 536367169 /nfs/dbraw/zinc/36/71/69/536367169.db2.gz GXOSYOMLBWCPNJ-QGZVFWFLSA-N 1 3 373.501 0.967 20 0 FCADHO C[N@H+](CCN1CCN(c2ccccc2)CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700114 536371878 /nfs/dbraw/zinc/37/18/78/536371878.db2.gz KFVKULBHQZPCNG-LJQANCHMSA-N 1 3 373.545 0.938 20 0 FCADHO C[N@@H+](CCN1CCN(c2ccccc2)CC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700114 536371880 /nfs/dbraw/zinc/37/18/80/536371880.db2.gz KFVKULBHQZPCNG-LJQANCHMSA-N 1 3 373.545 0.938 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000419763973 536481336 /nfs/dbraw/zinc/48/13/36/536481336.db2.gz OUHJDZPUTUFDIY-WMZOPIPTSA-N 1 3 358.486 0.820 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419680382 536779837 /nfs/dbraw/zinc/77/98/37/536779837.db2.gz RDLBORKVOPHKCM-MRXNPFEDSA-N 1 3 354.495 0.062 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715687 546928529 /nfs/dbraw/zinc/92/85/29/546928529.db2.gz JXMPXUTUCIJIRF-IAGOWNOFSA-N 1 3 356.511 0.633 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCO1 ZINC000458715687 546928534 /nfs/dbraw/zinc/92/85/34/546928534.db2.gz JXMPXUTUCIJIRF-IAGOWNOFSA-N 1 3 356.511 0.633 20 0 FCADHO COC[C@@]1(CNC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000641800255 546960534 /nfs/dbraw/zinc/96/05/34/546960534.db2.gz AYMWYGDFBCASOR-AEFFLSMTSA-N 1 3 353.511 0.176 20 0 FCADHO CO[C@]1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOC1 ZINC000546596621 547042768 /nfs/dbraw/zinc/04/27/68/547042768.db2.gz HHFAZOGZDSLJIE-SFHVURJKSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550658344 547094739 /nfs/dbraw/zinc/09/47/39/547094739.db2.gz JWADJXPBASADIM-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000550838229 547109903 /nfs/dbraw/zinc/10/99/03/547109903.db2.gz AFNYGRMKZQSDRC-PBHICJAKSA-N 1 3 356.536 0.483 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CCCC12CCN(C)CC2)C[NH+]1CCCC1 ZINC000551110832 547126378 /nfs/dbraw/zinc/12/63/78/547126378.db2.gz BGHPCNSSMFTILU-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216691 547135204 /nfs/dbraw/zinc/13/52/04/547135204.db2.gz ABTLKDJSVHEUOO-KBXCAEBGSA-N 1 3 368.547 0.673 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216691 547135205 /nfs/dbraw/zinc/13/52/05/547135205.db2.gz ABTLKDJSVHEUOO-KBXCAEBGSA-N 1 3 368.547 0.673 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000551332788 547142296 /nfs/dbraw/zinc/14/22/96/547142296.db2.gz QKHLCGVVJYJSCX-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000551332788 547142298 /nfs/dbraw/zinc/14/22/98/547142298.db2.gz QKHLCGVVJYJSCX-MRXNPFEDSA-N 1 3 354.495 0.158 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000553267467 547264582 /nfs/dbraw/zinc/26/45/82/547264582.db2.gz VIIQCYHIRKBNPT-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000475723659 547334329 /nfs/dbraw/zinc/33/43/29/547334329.db2.gz PWSHROFIEFHUGT-FCGDIQPGSA-N 1 3 357.539 0.889 20 0 FCADHO NC(C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(F)(F)F ZINC000663017338 547356743 /nfs/dbraw/zinc/35/67/43/547356743.db2.gz JISJBHCHYMSSNH-ZWNOBZJWSA-N 1 3 360.384 0.415 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC000949206089 674397234 /nfs/dbraw/zinc/39/72/34/674397234.db2.gz LPVATDHAUUSJNS-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC000949206089 674397235 /nfs/dbraw/zinc/39/72/35/674397235.db2.gz LPVATDHAUUSJNS-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736758278 598533322 /nfs/dbraw/zinc/53/33/22/598533322.db2.gz DUIOSYUZTGNQAB-MRXNPFEDSA-N 1 3 360.462 0.880 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000952293691 674475166 /nfs/dbraw/zinc/47/51/66/674475166.db2.gz AHWWXRGROWWNFN-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000952293691 674475167 /nfs/dbraw/zinc/47/51/67/674475167.db2.gz AHWWXRGROWWNFN-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC000954412314 674496739 /nfs/dbraw/zinc/49/67/39/674496739.db2.gz DZEHVPOXRXTNSV-GVDBMIGSSA-N 1 3 350.507 0.726 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC000954412314 674496740 /nfs/dbraw/zinc/49/67/40/674496740.db2.gz DZEHVPOXRXTNSV-GVDBMIGSSA-N 1 3 350.507 0.726 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480522 606860490 /nfs/dbraw/zinc/86/04/90/606860490.db2.gz LMLSGKKUSQXCML-KBXCAEBGSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480522 606860492 /nfs/dbraw/zinc/86/04/92/606860492.db2.gz LMLSGKKUSQXCML-KBXCAEBGSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480522 606860493 /nfs/dbraw/zinc/86/04/93/606860493.db2.gz LMLSGKKUSQXCML-KBXCAEBGSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480522 606860495 /nfs/dbraw/zinc/86/04/95/606860495.db2.gz LMLSGKKUSQXCML-KBXCAEBGSA-N 1 3 374.489 0.925 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC000971564196 663398044 /nfs/dbraw/zinc/39/80/44/663398044.db2.gz UZFYFNOQVDGSCF-DJIMGWMZSA-N 1 3 371.547 0.684 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC000971564196 663398048 /nfs/dbraw/zinc/39/80/48/663398048.db2.gz UZFYFNOQVDGSCF-DJIMGWMZSA-N 1 3 371.547 0.684 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000891513852 663410885 /nfs/dbraw/zinc/41/08/85/663410885.db2.gz IALMBCGLEWTSHY-FDYHWXHSSA-N 1 3 350.385 0.628 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538131 663413041 /nfs/dbraw/zinc/41/30/41/663413041.db2.gz QFYDIBRNTZVVEQ-HZPDHXFCSA-N 1 3 354.495 0.555 20 0 FCADHO CN1CCN(CCCCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891579968 663416859 /nfs/dbraw/zinc/41/68/59/663416859.db2.gz QIPVBOLLZGCQTM-ZIAGYGMSSA-N 1 3 365.444 0.793 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847652 663444769 /nfs/dbraw/zinc/44/47/69/663444769.db2.gz RVYPCMJEUHHEBI-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC[C@@H]21 ZINC000933847652 663444770 /nfs/dbraw/zinc/44/47/70/663444770.db2.gz RVYPCMJEUHHEBI-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CCC(=O)NC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522008 664017477 /nfs/dbraw/zinc/01/74/77/664017477.db2.gz MQOCBCDSZSOQCW-UHFFFAOYSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H]1CC[N@H+](CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649374 664058741 /nfs/dbraw/zinc/05/87/41/664058741.db2.gz LDAMPWZVZLYQNL-CVEARBPZSA-N 1 3 353.511 0.570 20 0 FCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649374 664058745 /nfs/dbraw/zinc/05/87/45/664058745.db2.gz LDAMPWZVZLYQNL-CVEARBPZSA-N 1 3 353.511 0.570 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892651520 664059360 /nfs/dbraw/zinc/05/93/60/664059360.db2.gz ZJJYHDAZCMNMEK-XHSDSOJGSA-N 1 3 351.495 0.275 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892651520 664059362 /nfs/dbraw/zinc/05/93/62/664059362.db2.gz ZJJYHDAZCMNMEK-XHSDSOJGSA-N 1 3 351.495 0.275 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CCCCN1CCO ZINC000892761391 664137830 /nfs/dbraw/zinc/13/78/30/664137830.db2.gz ZWDVSLBUQOQPBP-HOTGVXAUSA-N 1 3 354.495 0.291 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892944936 664177180 /nfs/dbraw/zinc/17/71/80/664177180.db2.gz XCUKPMQXQFSIOQ-IXDOHACOSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892944936 664177181 /nfs/dbraw/zinc/17/71/81/664177181.db2.gz XCUKPMQXQFSIOQ-IXDOHACOSA-N 1 3 354.495 0.338 20 0 FCADHO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCSC1 ZINC000893418508 664356645 /nfs/dbraw/zinc/35/66/45/664356645.db2.gz YHVYPXXVJRLNMH-VYDXJSESSA-N 1 3 356.536 0.664 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000976595459 664390700 /nfs/dbraw/zinc/39/07/00/664390700.db2.gz KIFWTIBDABSPRV-ZBURPKILSA-N 1 3 350.507 0.486 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000976595459 664390704 /nfs/dbraw/zinc/39/07/04/664390704.db2.gz KIFWTIBDABSPRV-ZBURPKILSA-N 1 3 350.507 0.486 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000982875616 664932191 /nfs/dbraw/zinc/93/21/91/664932191.db2.gz VFKRICUFQPNBPI-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000982875616 664932192 /nfs/dbraw/zinc/93/21/92/664932192.db2.gz VFKRICUFQPNBPI-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[NH+]1CCC(NC(=S)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000728451330 665146569 /nfs/dbraw/zinc/14/65/69/665146569.db2.gz OIAGBJSMDLIHMT-UHFFFAOYSA-N 1 3 353.536 0.195 20 0 FCADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000897443590 665288593 /nfs/dbraw/zinc/28/85/93/665288593.db2.gz XSIPOLXEGWSASG-HZPDHXFCSA-N 1 3 351.495 0.276 20 0 FCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000897443590 665288594 /nfs/dbraw/zinc/28/85/94/665288594.db2.gz XSIPOLXEGWSASG-HZPDHXFCSA-N 1 3 351.495 0.276 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911557441 666365903 /nfs/dbraw/zinc/36/59/03/666365903.db2.gz OWEVYIFOKZNBOK-OAHLLOKOSA-N 1 3 350.463 0.818 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)C[C@@H]3CO)CC2)CC1 ZINC000912738293 666470116 /nfs/dbraw/zinc/47/01/16/666470116.db2.gz AYZVEWNYMWQXLU-GOSISDBHSA-N 1 3 352.523 0.318 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000940755813 666561009 /nfs/dbraw/zinc/56/10/09/666561009.db2.gz HKNWRKREWNADRB-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000940755813 666561012 /nfs/dbraw/zinc/56/10/12/666561012.db2.gz HKNWRKREWNADRB-BZUAXINKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000945381491 666878759 /nfs/dbraw/zinc/87/87/59/666878759.db2.gz KCYGOMJAFYEAQE-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000945381491 666878762 /nfs/dbraw/zinc/87/87/62/666878762.db2.gz KCYGOMJAFYEAQE-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000994222942 666979905 /nfs/dbraw/zinc/97/99/05/666979905.db2.gz QBYJEKJEJPLPJI-OIISXLGYSA-N 1 3 350.507 0.633 20 0 FCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000916843095 667033006 /nfs/dbraw/zinc/03/30/06/667033006.db2.gz TVHTYJBJCUTVSV-YESZJQIVSA-N 1 3 352.479 0.402 20 0 FCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000916843095 667033009 /nfs/dbraw/zinc/03/30/09/667033009.db2.gz TVHTYJBJCUTVSV-YESZJQIVSA-N 1 3 352.479 0.402 20 0 FCADHO CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CCN(CCCO)C1 ZINC001033087161 667669136 /nfs/dbraw/zinc/66/91/36/667669136.db2.gz AWTUTZIJFQRQOU-KURKYZTESA-N 1 3 353.507 0.648 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)[C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001036603961 667791681 /nfs/dbraw/zinc/79/16/81/667791681.db2.gz VSGDETWYCWVPDJ-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)[C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001036603961 667791684 /nfs/dbraw/zinc/79/16/84/667791684.db2.gz VSGDETWYCWVPDJ-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO COC(=O)CS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817907785 670047785 /nfs/dbraw/zinc/04/77/85/670047785.db2.gz WLXHGXTXRFEJOY-JKSUJKDBSA-N 1 3 354.472 0.991 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000968014207 675178032 /nfs/dbraw/zinc/17/80/32/675178032.db2.gz RYOAOJIKRMAUFY-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000968014207 675178035 /nfs/dbraw/zinc/17/80/35/675178035.db2.gz RYOAOJIKRMAUFY-GVDBMIGSSA-N 1 3 350.507 0.870 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000849052372 671316264 /nfs/dbraw/zinc/31/62/64/671316264.db2.gz UZIVAKQEWKQVIY-RBSFLKMASA-N 1 3 359.540 0.693 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@H]3CCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001001423576 676071558 /nfs/dbraw/zinc/07/15/58/676071558.db2.gz DUHSGEYFWRVAFD-BBWFWOEESA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN([C@H]3CCN(C)C3=O)CC2)CC[N@H+]1C ZINC001001423576 676071560 /nfs/dbraw/zinc/07/15/60/676071560.db2.gz DUHSGEYFWRVAFD-BBWFWOEESA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524154 676085433 /nfs/dbraw/zinc/08/54/33/676085433.db2.gz UOQIIPRIGONFIS-XHSDSOJGSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524154 676085437 /nfs/dbraw/zinc/08/54/37/676085437.db2.gz UOQIIPRIGONFIS-XHSDSOJGSA-N 1 3 350.507 0.905 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884503847 673457748 /nfs/dbraw/zinc/45/77/48/673457748.db2.gz VFDQJYLLFZONOO-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884503847 673457751 /nfs/dbraw/zinc/45/77/51/673457751.db2.gz VFDQJYLLFZONOO-MRXNPFEDSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884577690 673463477 /nfs/dbraw/zinc/46/34/77/673463477.db2.gz KQVDHOJYVJQMGY-AGIUHOORSA-N 1 3 364.412 0.573 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884617168 673466382 /nfs/dbraw/zinc/46/63/82/673466382.db2.gz IYIVTHNCNALDPK-JHJVBQTASA-N 1 3 364.412 0.573 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000884631478 673468156 /nfs/dbraw/zinc/46/81/56/673468156.db2.gz LRKOBSNBOPMSBH-FRRDWIJNSA-N 1 3 362.396 0.183 20 0 FCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000884973706 673494673 /nfs/dbraw/zinc/49/46/73/673494673.db2.gz CTUQEFBYXJLDFA-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885010909 673497887 /nfs/dbraw/zinc/49/78/87/673497887.db2.gz XALWPSYFJDUOQH-MUJYYYPQSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000887640431 673636432 /nfs/dbraw/zinc/63/64/32/673636432.db2.gz ZRYSAKPPADLMQN-INIZCTEOSA-N 1 3 353.511 0.870 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926129390 673812424 /nfs/dbraw/zinc/81/24/24/673812424.db2.gz DBSJXRDGNPQCOM-CQSZACIVSA-N 1 3 350.467 0.725 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC000968737863 675228023 /nfs/dbraw/zinc/22/80/23/675228023.db2.gz HWORQMWJQRVELW-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC000968737863 675228025 /nfs/dbraw/zinc/22/80/25/675228025.db2.gz HWORQMWJQRVELW-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001014501313 675391291 /nfs/dbraw/zinc/39/12/91/675391291.db2.gz JHSDMGKIPAQVCX-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001014501313 675391294 /nfs/dbraw/zinc/39/12/94/675391294.db2.gz JHSDMGKIPAQVCX-YESZJQIVSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN([C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001045444722 675654007 /nfs/dbraw/zinc/65/40/07/675654007.db2.gz GRRJHMOPFZSNPE-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN([C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001045444722 675654009 /nfs/dbraw/zinc/65/40/09/675654009.db2.gz GRRJHMOPFZSNPE-OAGGEKHMSA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC)CC[N@@H+]1C ZINC001048525689 675859271 /nfs/dbraw/zinc/85/92/71/675859271.db2.gz IJVPGEQWZSWHLR-BQJWPVKWSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC)CC[N@H+]1C ZINC001048525689 675859276 /nfs/dbraw/zinc/85/92/76/675859276.db2.gz IJVPGEQWZSWHLR-BQJWPVKWSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001048529211 675859591 /nfs/dbraw/zinc/85/95/91/675859591.db2.gz JKWFFMPDEPKIJA-CVWVJMLGSA-N 1 3 350.507 0.950 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001048529211 675859595 /nfs/dbraw/zinc/85/95/95/675859595.db2.gz JKWFFMPDEPKIJA-CVWVJMLGSA-N 1 3 350.507 0.950 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104287320 1169155236 /nfs/dbraw/zinc/15/52/36/1169155236.db2.gz CKZVEHBEHQQRNA-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001482769281 1192382254 /nfs/dbraw/zinc/38/22/54/1192382254.db2.gz DBNZTNANEOJWLB-OTWHNJEPSA-N 1 3 371.485 0.332 20 0 FCADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482769281 1192382258 /nfs/dbraw/zinc/38/22/58/1192382258.db2.gz DBNZTNANEOJWLB-OTWHNJEPSA-N 1 3 371.485 0.332 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941945 1170330201 /nfs/dbraw/zinc/33/02/01/1170330201.db2.gz WMNBNTHLTNRUPM-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21)C1CCC1 ZINC001021941945 1170330206 /nfs/dbraw/zinc/33/02/06/1170330206.db2.gz WMNBNTHLTNRUPM-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)cn1 ZINC001083220984 1170585609 /nfs/dbraw/zinc/58/56/09/1170585609.db2.gz DSKBTMTVSNORTC-ZWKOTPCHSA-N 1 3 361.490 0.770 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001691285618 1171034786 /nfs/dbraw/zinc/03/47/86/1171034786.db2.gz CUCZKLBASPBCDI-BPQIPLTHSA-N 1 3 363.506 0.682 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000989062380 1192667936 /nfs/dbraw/zinc/66/79/36/1192667936.db2.gz VXHQSAYBWDIPIW-CVEARBPZSA-N 1 3 362.518 0.920 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000550636550 1192891883 /nfs/dbraw/zinc/89/18/83/1192891883.db2.gz XHVHQWZXGLUEAA-QGZVFWFLSA-N 1 3 368.522 0.452 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000550636550 1192891886 /nfs/dbraw/zinc/89/18/86/1192891886.db2.gz XHVHQWZXGLUEAA-QGZVFWFLSA-N 1 3 368.522 0.452 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389539 1180211064 /nfs/dbraw/zinc/21/10/64/1180211064.db2.gz NMMBHIBYUVVWKZ-HOTGVXAUSA-N 1 3 365.522 0.713 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000972856159 1180901589 /nfs/dbraw/zinc/90/15/89/1180901589.db2.gz IYDIRMPSJXILDC-NVXWUHKLSA-N 1 3 371.485 0.888 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495538 1181345384 /nfs/dbraw/zinc/34/53/84/1181345384.db2.gz QVZIWPCVKBBMNR-CVEARBPZSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)CCC1 ZINC000972995107 1181867982 /nfs/dbraw/zinc/86/79/82/1181867982.db2.gz QNCVYILEDZNXAN-IAGOWNOFSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892648677 1182003980 /nfs/dbraw/zinc/00/39/80/1182003980.db2.gz LMPRFQAOSONYID-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892648677 1182003986 /nfs/dbraw/zinc/00/39/86/1182003986.db2.gz LMPRFQAOSONYID-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1)N(C)C ZINC001104691730 1182371391 /nfs/dbraw/zinc/37/13/91/1182371391.db2.gz TZLDHIKTUWLPLU-ZACQAIPSSA-N 1 3 368.522 0.260 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690502 1182371774 /nfs/dbraw/zinc/37/17/74/1182371774.db2.gz GVRLRPXVLGIGMH-KFWWJZLASA-N 1 3 369.510 0.247 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001104729382 1182401354 /nfs/dbraw/zinc/40/13/54/1182401354.db2.gz UVSPVRUOKGWNSN-BZUAXINKSA-N 1 3 361.490 0.943 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892789598 1182506671 /nfs/dbraw/zinc/50/66/71/1182506671.db2.gz QSPLEWHITACAAC-IAGOWNOFSA-N 1 3 359.474 0.197 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001105010193 1183067638 /nfs/dbraw/zinc/06/76/38/1183067638.db2.gz BJASBSDSXLGTGF-RBSFLKMASA-N 1 3 363.462 0.639 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001105010193 1183067646 /nfs/dbraw/zinc/06/76/46/1183067646.db2.gz BJASBSDSXLGTGF-RBSFLKMASA-N 1 3 363.462 0.639 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000975226709 1183788701 /nfs/dbraw/zinc/78/87/01/1183788701.db2.gz SDSLZRNJBMQULD-CGTJXYLNSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975816070 1185808918 /nfs/dbraw/zinc/80/89/18/1185808918.db2.gz LMYNXCCXUNHBBE-VYDXJSESSA-N 1 3 359.474 0.743 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975816070 1185808919 /nfs/dbraw/zinc/80/89/19/1185808919.db2.gz LMYNXCCXUNHBBE-VYDXJSESSA-N 1 3 359.474 0.743 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@H](O)Cn3cccn3)CC2)CC[N@@H+]1C ZINC000981199871 1186349000 /nfs/dbraw/zinc/34/90/00/1186349000.db2.gz DUFXYNPCRBKEEM-OKZBNKHCSA-N 1 3 363.506 0.509 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@H](O)Cn3cccn3)CC2)CC[N@H+]1C ZINC000981199871 1186349007 /nfs/dbraw/zinc/34/90/07/1186349007.db2.gz DUFXYNPCRBKEEM-OKZBNKHCSA-N 1 3 363.506 0.509 20 0 FCADHO CN(CC(=O)N1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1)C(N)=[NH2+] ZINC001269992340 1187961769 /nfs/dbraw/zinc/96/17/69/1187961769.db2.gz HLUGJFFXGUQTOG-GOSISDBHSA-N 1 3 360.462 0.427 20 0 FCADHO CC[NH+]1CCC(CC(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)CC1 ZINC001270513550 1188182720 /nfs/dbraw/zinc/18/27/20/1188182720.db2.gz VWUKLCMRXVTAJG-UHFFFAOYSA-N 1 3 366.506 0.110 20 0 FCADHO O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)N1CCCC1 ZINC001112536041 1188349213 /nfs/dbraw/zinc/34/92/13/1188349213.db2.gz NGMRVZWFIZTHSC-KXBFYZLASA-N 1 3 359.474 0.793 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000550413852 1188367348 /nfs/dbraw/zinc/36/73/48/1188367348.db2.gz DQNGVLXCMBLLAO-QAPCUYQASA-N 1 3 360.502 0.874 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000550413852 1188367351 /nfs/dbraw/zinc/36/73/51/1188367351.db2.gz DQNGVLXCMBLLAO-QAPCUYQASA-N 1 3 360.502 0.874 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCN1C(=O)CCC1=O ZINC001087797991 1189828563 /nfs/dbraw/zinc/82/85/63/1189828563.db2.gz VBAUHLMDHDBTLU-LSDHHAIUSA-N 1 3 362.474 0.200 20 0 FCADHO CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)C1=O ZINC001088090680 1190542620 /nfs/dbraw/zinc/54/26/20/1190542620.db2.gz BFQRWJNRCFQRSF-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC000986681995 1191075314 /nfs/dbraw/zinc/07/53/14/1191075314.db2.gz WKWCJDYGJPZJRT-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC000986681995 1191075316 /nfs/dbraw/zinc/07/53/16/1191075316.db2.gz WKWCJDYGJPZJRT-KURKYZTESA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1CCCN1CCCC1=O ZINC001088568703 1191206667 /nfs/dbraw/zinc/20/66/67/1191206667.db2.gz RGTALIHWYCRYRU-NXHRZFHOSA-N 1 3 362.518 0.920 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218083053 1224139462 /nfs/dbraw/zinc/13/94/62/1224139462.db2.gz NWQQLCIXKBNTRI-NSHDSACASA-N 1 3 364.446 0.672 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001218178138 1224145315 /nfs/dbraw/zinc/14/53/15/1224145315.db2.gz WIWWCTSVNWXTAV-GDNZZTSVSA-N 1 3 364.446 0.765 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001218178138 1224145317 /nfs/dbraw/zinc/14/53/17/1224145317.db2.gz WIWWCTSVNWXTAV-GDNZZTSVSA-N 1 3 364.446 0.765 20 0 FCADHO CCOC(=O)c1ncn2c1cccc2NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218531605 1224168691 /nfs/dbraw/zinc/16/86/91/1224168691.db2.gz SHDWWIRPGMVORC-KZULUSFZSA-N 1 3 357.414 0.649 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550899671 1193819012 /nfs/dbraw/zinc/81/90/12/1193819012.db2.gz XOYQRVLJFVHTNA-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550899671 1193819014 /nfs/dbraw/zinc/81/90/14/1193819014.db2.gz XOYQRVLJFVHTNA-RDJZCZTQSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c(F)cccc1F ZINC000551132584 1193834597 /nfs/dbraw/zinc/83/45/97/1193834597.db2.gz PPXBOEAGPNFESO-UHFFFAOYSA-N 1 3 370.444 0.575 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551135278 1193834936 /nfs/dbraw/zinc/83/49/36/1193834936.db2.gz BZXPVMHTDWKZLK-GVDBMIGSSA-N 1 3 366.506 0.299 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551135278 1193834939 /nfs/dbraw/zinc/83/49/39/1193834939.db2.gz BZXPVMHTDWKZLK-GVDBMIGSSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CCOC1CCC1 ZINC001088757254 1193892505 /nfs/dbraw/zinc/89/25/05/1193892505.db2.gz PSKINMBUFFXMMZ-AHZKFYHPSA-N 1 3 363.502 0.998 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CCOC1CCC1 ZINC001088757254 1193892507 /nfs/dbraw/zinc/89/25/07/1193892507.db2.gz PSKINMBUFFXMMZ-AHZKFYHPSA-N 1 3 363.502 0.998 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553097358 1193971554 /nfs/dbraw/zinc/97/15/54/1193971554.db2.gz ZRUYAFWIUROQLS-OAHLLOKOSA-N 1 3 370.538 0.839 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553097358 1193971559 /nfs/dbraw/zinc/97/15/59/1193971559.db2.gz ZRUYAFWIUROQLS-OAHLLOKOSA-N 1 3 370.538 0.839 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)N3CCOCC3)CC2)CC1 ZINC000553222580 1193980864 /nfs/dbraw/zinc/98/08/64/1193980864.db2.gz AIZJUTWHGIUUCX-UHFFFAOYSA-N 1 3 366.506 0.158 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553599861 1194009508 /nfs/dbraw/zinc/00/95/08/1194009508.db2.gz LSLHDDZOVHZCFP-HNNXBMFYSA-N 1 3 368.522 0.593 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553599861 1194009512 /nfs/dbraw/zinc/00/95/12/1194009512.db2.gz LSLHDDZOVHZCFP-HNNXBMFYSA-N 1 3 368.522 0.593 20 0 FCADHO Nc1cccnc1N(C(=O)[C@H]1CC[C@]2(C1)CNCCO2)C1CC[NH2+]CC1 ZINC001218695057 1224198013 /nfs/dbraw/zinc/19/80/13/1224198013.db2.gz KIMKBKOLLFWGCS-LIRRHRJNSA-N 1 3 359.474 0.908 20 0 FCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703144 1224199091 /nfs/dbraw/zinc/19/90/91/1224199091.db2.gz BFFBYMQCROXDKQ-HNNXBMFYSA-N 1 3 356.430 0.801 20 0 FCADHO COc1cc2cc(C(N)=O)c(NC(=O)[C@@H](N)CCC[NH3+])nc2cc1OC ZINC001218711724 1224201678 /nfs/dbraw/zinc/20/16/78/1224201678.db2.gz SSMQXVXHQJWRKL-NSHDSACASA-N 1 3 361.402 0.356 20 0 FCADHO CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001218736293 1224207026 /nfs/dbraw/zinc/20/70/26/1224207026.db2.gz WKTATEODWVMRIY-INIZCTEOSA-N 1 3 364.494 0.845 20 0 FCADHO CCN=c1ccc(N)cn1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218741275 1224208794 /nfs/dbraw/zinc/20/87/94/1224208794.db2.gz KJKYCGVPNIYWMA-GJZGRUSLSA-N 1 3 362.478 0.078 20 0 FCADHO N[C@H](C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1)C1CC[NH2+]CC1 ZINC001218744905 1224210267 /nfs/dbraw/zinc/21/02/67/1224210267.db2.gz OFFNSVNRIQVFPM-INIZCTEOSA-N 1 3 358.446 0.889 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccn2ccnc2c1 ZINC001218787310 1224218180 /nfs/dbraw/zinc/21/81/80/1224218180.db2.gz BVCCMHGQOCYSPE-GJZGRUSLSA-N 1 3 358.446 0.720 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569227 1194574038 /nfs/dbraw/zinc/57/40/38/1194574038.db2.gz OHOAUMBKMJDFPV-OKZBNKHCSA-N 1 3 356.470 0.770 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001076569227 1194574043 /nfs/dbraw/zinc/57/40/43/1194574043.db2.gz OHOAUMBKMJDFPV-OKZBNKHCSA-N 1 3 356.470 0.770 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001076605481 1194593420 /nfs/dbraw/zinc/59/34/20/1194593420.db2.gz BYAXCNIUNPOOHT-DLBZAZTESA-N 1 3 363.506 0.420 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994779 1224281623 /nfs/dbraw/zinc/28/16/23/1224281623.db2.gz OTHKZUJTIIKAIS-AWEZNQCLSA-N 1 3 354.414 0.556 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CC1 ZINC000910859667 1195852898 /nfs/dbraw/zinc/85/28/98/1195852898.db2.gz DGCUZSVATUXRFP-UHFFFAOYSA-N 1 3 368.566 0.955 20 0 FCADHO CCN1CCN(CCC(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)CC1 ZINC000910859667 1195852899 /nfs/dbraw/zinc/85/28/99/1195852899.db2.gz DGCUZSVATUXRFP-UHFFFAOYSA-N 1 3 368.566 0.955 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[NH+]1CCC(C)CC1 ZINC000911092332 1195887848 /nfs/dbraw/zinc/88/78/48/1195887848.db2.gz UJLGVACTRNQFQP-ZTFGCOKTSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911101242 1195889759 /nfs/dbraw/zinc/88/97/59/1195889759.db2.gz IVEYDBZWMVCVCI-ZBFHGGJFSA-N 1 3 359.474 0.673 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911253799 1195927176 /nfs/dbraw/zinc/92/71/76/1195927176.db2.gz ARTIJNSDKWDSLZ-HNNXBMFYSA-N 1 3 368.522 0.640 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCCC[NH3+])c(OC)c(OC(C)=O)c1 ZINC001219163854 1224372216 /nfs/dbraw/zinc/37/22/16/1224372216.db2.gz KTVVWQWAIHOHCI-LBPRGKRZSA-N 1 3 367.402 0.802 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106133486 1197168989 /nfs/dbraw/zinc/16/89/89/1197168989.db2.gz NBPYVLNTGVFGEY-ZIAGYGMSSA-N 1 3 367.494 0.130 20 0 FCADHO O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@@H]1COC2(CNC2)CN1 ZINC001219301535 1224418954 /nfs/dbraw/zinc/41/89/54/1224418954.db2.gz ZAHHYQCZABNUIT-HNNXBMFYSA-N 1 3 364.421 0.225 20 0 FCADHO Nc1c(F)cccc1N(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H]1CC[C@H](O)CC1 ZINC001219323614 1224427310 /nfs/dbraw/zinc/42/73/10/1224427310.db2.gz PHDYGWHCWGINTD-IHRRRGAJSA-N 1 3 362.449 0.853 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106249718 1197783962 /nfs/dbraw/zinc/78/39/62/1197783962.db2.gz OWHCZOUNAIFWHS-LSBZLQRGSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106254993 1197790614 /nfs/dbraw/zinc/79/06/14/1197790614.db2.gz FAQLGBVUHQREEQ-HZPDHXFCSA-N 1 3 366.506 0.014 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1)N(C)C ZINC001106308911 1197861534 /nfs/dbraw/zinc/86/15/34/1197861534.db2.gz HGTLKYYXGMNBBV-RBSFLKMASA-N 1 3 362.478 0.439 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000737239950 1197962478 /nfs/dbraw/zinc/96/24/78/1197962478.db2.gz PQYPHZOIZIGEMM-MRXNPFEDSA-N 1 3 373.501 0.835 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000737239950 1197962494 /nfs/dbraw/zinc/96/24/94/1197962494.db2.gz PQYPHZOIZIGEMM-MRXNPFEDSA-N 1 3 373.501 0.835 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1CCC3(CNC3)O1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501520 1224489368 /nfs/dbraw/zinc/48/93/68/1224489368.db2.gz VVLJYYATJIUKIU-LIRRHRJNSA-N 1 3 372.425 0.338 20 0 FCADHO O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617970 1224529626 /nfs/dbraw/zinc/52/96/26/1224529626.db2.gz SPFONQMIOYHSFC-ZIFCJYIRSA-N 1 3 364.465 0.029 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)CC1 ZINC001109651034 1200444366 /nfs/dbraw/zinc/44/43/66/1200444366.db2.gz FXVAPLWYBLQJCP-NCOADZHNSA-N 1 3 361.490 0.307 20 0 FCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822345 1200545931 /nfs/dbraw/zinc/54/59/31/1200545931.db2.gz KFIMEINOTUQRHP-RANZSIQMSA-N 1 3 363.506 0.941 20 0 FCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129393078 1200677402 /nfs/dbraw/zinc/67/74/02/1200677402.db2.gz AMTCAUTUQSFSHX-BBWFWOEESA-N 1 3 364.494 0.388 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001110018000 1200709715 /nfs/dbraw/zinc/70/97/15/1200709715.db2.gz WTHGQYHWEVEUEI-SQNIBIBYSA-N 1 3 368.522 0.593 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001110018000 1200709728 /nfs/dbraw/zinc/70/97/28/1200709728.db2.gz WTHGQYHWEVEUEI-SQNIBIBYSA-N 1 3 368.522 0.593 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001112548482 1200773876 /nfs/dbraw/zinc/77/38/76/1200773876.db2.gz CCCNPZGKAVAPJS-DOXZYTNZSA-N 1 3 364.490 0.352 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001112548742 1200774525 /nfs/dbraw/zinc/77/45/25/1200774525.db2.gz OYJXSEOVMHQUBV-KSSFIOAISA-N 1 3 367.494 0.002 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CCCCC1 ZINC000793703313 1201258832 /nfs/dbraw/zinc/25/88/32/1201258832.db2.gz UMTGXFCPONKLFV-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CCCCC1 ZINC000793703313 1201258841 /nfs/dbraw/zinc/25/88/41/1201258841.db2.gz UMTGXFCPONKLFV-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129918949 1201440628 /nfs/dbraw/zinc/44/06/28/1201440628.db2.gz NGVJRKFIBKKQJF-XHSDSOJGSA-N 1 3 364.494 0.386 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129918948 1201441037 /nfs/dbraw/zinc/44/10/37/1201441037.db2.gz NGVJRKFIBKKQJF-OAGGEKHMSA-N 1 3 364.494 0.386 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001130009472 1201477793 /nfs/dbraw/zinc/47/77/93/1201477793.db2.gz QNYOZEMXIJAION-IKGGRYGDSA-N 1 3 364.494 0.386 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[nH]1 ZINC001130220492 1201543218 /nfs/dbraw/zinc/54/32/18/1201543218.db2.gz AKAUAMLNZSKOBP-JLNYLFASSA-N 1 3 373.461 0.820 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[n-]1 ZINC001130220593 1201548091 /nfs/dbraw/zinc/54/80/91/1201548091.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 1 3 364.494 0.776 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[n-]1 ZINC001130220593 1201548094 /nfs/dbraw/zinc/54/80/94/1201548094.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 1 3 364.494 0.776 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[n-]1 ZINC001130237778 1201560105 /nfs/dbraw/zinc/56/01/05/1201560105.db2.gz DMBSCUDHZNDMSX-KKUMJFAQSA-N 1 3 364.494 0.635 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[n-]1 ZINC001130237778 1201560108 /nfs/dbraw/zinc/56/01/08/1201560108.db2.gz DMBSCUDHZNDMSX-KKUMJFAQSA-N 1 3 364.494 0.635 20 0 FCADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(OC)cc1 ZINC001219974615 1224710018 /nfs/dbraw/zinc/71/00/18/1224710018.db2.gz BFPYUQNIHLOHAB-CVEARBPZSA-N 1 3 361.442 0.900 20 0 FCADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974615 1224710024 /nfs/dbraw/zinc/71/00/24/1224710024.db2.gz BFPYUQNIHLOHAB-CVEARBPZSA-N 1 3 361.442 0.900 20 0 FCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033788 1224733448 /nfs/dbraw/zinc/73/34/48/1224733448.db2.gz IVWKFBGNOAHGDT-AZXQYZHQSA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033788 1224733453 /nfs/dbraw/zinc/73/34/53/1224733453.db2.gz IVWKFBGNOAHGDT-AZXQYZHQSA-N 1 3 363.502 0.757 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001130610836 1202730296 /nfs/dbraw/zinc/73/02/96/1202730296.db2.gz SRCZNJJTWSMBEG-YQQAZPJKSA-N 1 3 363.506 0.823 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607694 1202733796 /nfs/dbraw/zinc/73/37/96/1202733796.db2.gz JRTXCSAVQGZQFA-FUHWJXTLSA-N 1 3 363.506 0.825 20 0 FCADHO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001131079027 1202859779 /nfs/dbraw/zinc/85/97/79/1202859779.db2.gz AUCJCNSAZKXADT-FVQBIDKESA-N 1 3 360.462 0.431 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001131522617 1202911087 /nfs/dbraw/zinc/91/10/87/1202911087.db2.gz PWNLRALUWXIRLZ-RYRKJORJSA-N 1 3 366.506 0.202 20 0 FCADHO COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131538625 1202912938 /nfs/dbraw/zinc/91/29/38/1202912938.db2.gz QELDOWUDVMSBJN-TVFCKZIOSA-N 1 3 369.506 0.074 20 0 FCADHO CN(CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001131564336 1202914803 /nfs/dbraw/zinc/91/48/03/1202914803.db2.gz IEVVKTFYPXGNDN-QAPCUYQASA-N 1 3 368.522 0.435 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817927174 1203124714 /nfs/dbraw/zinc/12/47/14/1203124714.db2.gz YJSOBJWIWQEIER-NRFANRHFSA-N 1 3 372.513 0.974 20 0 FCADHO Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(=O)n(-c2ccccc2)n1C ZINC001220111017 1224771796 /nfs/dbraw/zinc/77/17/96/1224771796.db2.gz HMAQAHLZTMBAJS-AUUYWEPGSA-N 1 3 355.442 0.622 20 0 FCADHO N[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCCN2)CCC[NH2+]C1 ZINC001220358590 1224842449 /nfs/dbraw/zinc/84/24/49/1224842449.db2.gz VEANHVNHNJNZFJ-SQGPQFPESA-N 1 3 374.485 0.643 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCN(C)C4=O)C[C@@]3(C)C2)CCC1 ZINC001091735527 1204836360 /nfs/dbraw/zinc/83/63/60/1204836360.db2.gz TWMCRSCTIKCLHO-MDZRGWNJSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@@]3(C)C2)CCC1 ZINC001091735527 1204836365 /nfs/dbraw/zinc/83/63/65/1204836365.db2.gz TWMCRSCTIKCLHO-MDZRGWNJSA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091758793 1204843505 /nfs/dbraw/zinc/84/35/05/1204843505.db2.gz KNHJGYODDYTKSV-KPFFTGBYSA-N 1 3 364.534 0.975 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091758793 1204843507 /nfs/dbraw/zinc/84/35/07/1204843507.db2.gz KNHJGYODDYTKSV-KPFFTGBYSA-N 1 3 364.534 0.975 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2NCc2ccnn2C)cn1 ZINC001087009517 1204896994 /nfs/dbraw/zinc/89/69/94/1204896994.db2.gz KEFQEEDXIONOJM-JCGIZDLHSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2NCc2ccnn2C)cn1 ZINC001087009517 1204896997 /nfs/dbraw/zinc/89/69/97/1204896997.db2.gz KEFQEEDXIONOJM-JCGIZDLHSA-N 1 3 371.489 0.190 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087062800 1204950108 /nfs/dbraw/zinc/95/01/08/1204950108.db2.gz VYEAFERXQAEVAQ-DJIMGWMZSA-N 1 3 366.510 0.591 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011224 1205112359 /nfs/dbraw/zinc/11/23/59/1205112359.db2.gz UHKWUKFJVXEYNU-MDZRGWNJSA-N 1 3 363.506 0.276 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092011224 1205112363 /nfs/dbraw/zinc/11/23/63/1205112363.db2.gz UHKWUKFJVXEYNU-MDZRGWNJSA-N 1 3 363.506 0.276 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676432 1205336733 /nfs/dbraw/zinc/33/67/33/1205336733.db2.gz YBZBIKBYYOJVQZ-FGTMMUONSA-N 1 3 364.534 0.881 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)C1 ZINC001092676432 1205336736 /nfs/dbraw/zinc/33/67/36/1205336736.db2.gz YBZBIKBYYOJVQZ-FGTMMUONSA-N 1 3 364.534 0.881 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@H](COCc2ccccc2)NC)CC[NH2+]C1 ZINC001220521824 1224905251 /nfs/dbraw/zinc/90/52/51/1224905251.db2.gz PZOHOKAWJFQVLY-KRWDZBQOSA-N 1 3 361.442 0.718 20 0 FCADHO COC(=O)N1CCC(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CC1 ZINC001172737733 1206263860 /nfs/dbraw/zinc/26/38/60/1206263860.db2.gz JYSMJWMDCDJBNS-PVAVHDDUSA-N 1 3 362.478 0.904 20 0 FCADHO COC(=O)N1CCC(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CC1 ZINC001172737733 1206263865 /nfs/dbraw/zinc/26/38/65/1206263865.db2.gz JYSMJWMDCDJBNS-PVAVHDDUSA-N 1 3 362.478 0.904 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001176829231 1206321893 /nfs/dbraw/zinc/32/18/93/1206321893.db2.gz NSNFVRMYUNROHP-NJAFHUGGSA-N 1 3 369.473 0.945 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001176829231 1206321896 /nfs/dbraw/zinc/32/18/96/1206321896.db2.gz NSNFVRMYUNROHP-NJAFHUGGSA-N 1 3 369.473 0.945 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCc3ccco3)[C@@H]2C)CC[N@@H+]1C ZINC001178730809 1206363593 /nfs/dbraw/zinc/36/35/93/1206363593.db2.gz DUKHKOCGSXCFLC-WTTBNOFXSA-N 1 3 362.474 0.815 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCc3ccco3)[C@@H]2C)CC[N@H+]1C ZINC001178730809 1206363596 /nfs/dbraw/zinc/36/35/96/1206363596.db2.gz DUKHKOCGSXCFLC-WTTBNOFXSA-N 1 3 362.474 0.815 20 0 FCADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181588606 1206411935 /nfs/dbraw/zinc/41/19/35/1206411935.db2.gz OFLVAXHYVGKFEQ-NXVNZYLDSA-N 1 3 373.494 0.071 20 0 FCADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C1(O)CCN(C)CC1)C2 ZINC001182031508 1206419064 /nfs/dbraw/zinc/41/90/64/1206419064.db2.gz NDMSGQURWFDUNN-IEBWSBKVSA-N 1 3 365.518 0.650 20 0 FCADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C1(O)CCN(C)CC1)C2 ZINC001182031508 1206419065 /nfs/dbraw/zinc/41/90/65/1206419065.db2.gz NDMSGQURWFDUNN-IEBWSBKVSA-N 1 3 365.518 0.650 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COCc2ccccc21 ZINC001220657914 1224995929 /nfs/dbraw/zinc/99/59/29/1224995929.db2.gz LYPVQBCGCGSLNU-KSZLIROESA-N 1 3 374.485 0.821 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189019026 1207496056 /nfs/dbraw/zinc/49/60/56/1207496056.db2.gz ZAXUSGSZZOUKLP-ZWKOTPCHSA-N 1 3 366.506 0.014 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001189062278 1207498281 /nfs/dbraw/zinc/49/82/81/1207498281.db2.gz PYNALDWYHWQZIZ-LZLYRXPVSA-N 1 3 365.474 0.642 20 0 FCADHO O=C(N1CC[C@H]2CN(CCOC[C@H]3CCCO3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801345 1207610534 /nfs/dbraw/zinc/61/05/34/1207610534.db2.gz DESWDKONCLUTJP-RCCFBDPRSA-N 1 3 363.502 0.811 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190324320 1207676647 /nfs/dbraw/zinc/67/66/47/1207676647.db2.gz KFWQXYOQVHSFNR-HRCADAONSA-N 1 3 362.474 0.200 20 0 FCADHO O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220687046 1225013610 /nfs/dbraw/zinc/01/36/10/1225013610.db2.gz CWYSQZSMTKCDIG-IAGOWNOFSA-N 1 3 356.470 0.350 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCOCCc2ccccc2)C[C@H]1O ZINC001195869308 1208045028 /nfs/dbraw/zinc/04/50/28/1208045028.db2.gz BEQCDCQEPYURJI-RTBURBONSA-N 1 3 363.502 0.749 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)CC1 ZINC001197319676 1208152300 /nfs/dbraw/zinc/15/23/00/1208152300.db2.gz OCOBISNMOICMBF-QZTJIDSGSA-N 1 3 369.506 0.075 20 0 FCADHO O=C(N[C@@H]1CN(CCCCC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001197820136 1208201229 /nfs/dbraw/zinc/20/12/29/1208201229.db2.gz VZAJPWXHVRUIGO-QZTJIDSGSA-N 1 3 365.518 0.840 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220774992 1225066063 /nfs/dbraw/zinc/06/60/63/1225066063.db2.gz DCARXBFXPSKPDX-VHSSKADRSA-N 1 3 360.462 0.234 20 0 FCADHO CN1CCC[C@@H](N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)C1=O ZINC001489202621 1208664323 /nfs/dbraw/zinc/66/43/23/1208664323.db2.gz LTTMRVBBEABSGI-IXDOHACOSA-N 1 3 362.518 0.729 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001489541077 1208901045 /nfs/dbraw/zinc/90/10/45/1208901045.db2.gz HRWYNMZHTYJFKQ-BFYDXBDKSA-N 1 3 356.511 0.256 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1OC ZINC001489545965 1208909009 /nfs/dbraw/zinc/90/90/09/1208909009.db2.gz LOXYHBQDQBDZPU-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1OC ZINC001489545965 1208909015 /nfs/dbraw/zinc/90/90/15/1208909015.db2.gz LOXYHBQDQBDZPU-INMHGKMJSA-N 1 3 356.511 0.256 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001489589379 1209008662 /nfs/dbraw/zinc/00/86/62/1209008662.db2.gz DSDZEEYGHSKGRW-OAGGEKHMSA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001489589379 1209008665 /nfs/dbraw/zinc/00/86/65/1209008665.db2.gz DSDZEEYGHSKGRW-OAGGEKHMSA-N 1 3 366.506 0.033 20 0 FCADHO COC(=O)c1cccc(CN2CCC(NC(=O)CNCCC[NH3+])CC2)c1 ZINC001220913516 1225137131 /nfs/dbraw/zinc/13/71/31/1225137131.db2.gz UUTJVLAPXWKLHL-UHFFFAOYSA-N 1 3 362.474 0.492 20 0 FCADHO CC(C)[C@H]1CN(C(=O)CC(O)CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCN1 ZINC000856490128 1209713213 /nfs/dbraw/zinc/71/32/13/1209713213.db2.gz WOAUNXHRHMBMCY-IAGOWNOFSA-N 1 3 368.522 0.040 20 0 FCADHO CC(C)(C)OC(=O)N1CCN(CCCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000863550922 1209945218 /nfs/dbraw/zinc/94/52/18/1209945218.db2.gz FLVZXAQRRBUPAR-QGZVFWFLSA-N 1 3 370.538 0.976 20 0 FCADHO O=C(NCc1cccc(N2CCOCC2=O)c1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220990201 1225176406 /nfs/dbraw/zinc/17/64/06/1225176406.db2.gz CHTZELYMGKOUIR-QGZVFWFLSA-N 1 3 372.469 0.540 20 0 FCADHO O=C(NCc1cccc(N2CCOCC2=O)c1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220990201 1225176411 /nfs/dbraw/zinc/17/64/11/1225176411.db2.gz CHTZELYMGKOUIR-QGZVFWFLSA-N 1 3 372.469 0.540 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221003520 1225182161 /nfs/dbraw/zinc/18/21/61/1225182161.db2.gz AVUFOJPOUSVBCI-BZUAXINKSA-N 1 3 362.478 0.456 20 0 FCADHO CN1CCN(C2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000878807453 1210466321 /nfs/dbraw/zinc/46/63/21/1210466321.db2.gz BRQPENVKOLVPMC-UHFFFAOYSA-N 1 3 363.510 0.688 20 0 FCADHO 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ZINC000884509562 1210742208 /nfs/dbraw/zinc/74/22/08/1210742208.db2.gz JNPOLWHWLJVLQI-YJBOKZPZSA-N 1 3 373.501 0.934 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000884566672 1210752818 /nfs/dbraw/zinc/75/28/18/1210752818.db2.gz QDCUTAJRBMQYCT-CALCHBBNSA-N 1 3 356.470 0.165 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000884576684 1210754608 /nfs/dbraw/zinc/75/46/08/1210754608.db2.gz NPCVXSJXYNBCFR-GOSISDBHSA-N 1 3 360.502 0.911 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC000884604044 1210760754 /nfs/dbraw/zinc/76/07/54/1210760754.db2.gz YMHKEHVARWAOCZ-UHFFFAOYSA-N 1 3 366.506 0.348 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)Cc1ccccc1 ZINC000884631518 1210768295 /nfs/dbraw/zinc/76/82/95/1210768295.db2.gz MZBDSBMWILXQBW-QZTJIDSGSA-N 1 3 358.486 0.663 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884669940 1210775646 /nfs/dbraw/zinc/77/56/46/1210775646.db2.gz 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LOXZLKXZXQXRHY-HOTGVXAUSA-N 1 3 363.462 0.024 20 0 FCADHO CC1(C)CNC(=O)[C@@H]1NCc1ccccc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931654902 1211768643 /nfs/dbraw/zinc/76/86/43/1211768643.db2.gz TXCLTIYWDAVNGH-HOTGVXAUSA-N 1 3 358.486 0.915 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C1CCOCC1 ZINC000933311110 1211839815 /nfs/dbraw/zinc/83/98/15/1211839815.db2.gz NIVVHUKFDPHZFS-UHFFFAOYSA-N 1 3 370.538 0.507 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298685 1212493939 /nfs/dbraw/zinc/49/39/39/1212493939.db2.gz KZHUMEULMDAISV-KURKYZTESA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000949960503 1212494464 /nfs/dbraw/zinc/49/44/64/1212494464.db2.gz YRQPGXZUFUEYNA-DJIMGWMZSA-N 1 3 362.518 0.918 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001008396668 1212691609 /nfs/dbraw/zinc/69/16/09/1212691609.db2.gz UGSCAGLLMNKLAW-IIAWOOMASA-N 1 3 361.490 0.954 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001008396668 1212691612 /nfs/dbraw/zinc/69/16/12/1212691612.db2.gz UGSCAGLLMNKLAW-IIAWOOMASA-N 1 3 361.490 0.954 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1 ZINC000959837542 1213531807 /nfs/dbraw/zinc/53/18/07/1213531807.db2.gz TZJGTRVUIJHADQ-BFYDXBDKSA-N 1 3 361.490 0.893 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1 ZINC000959837542 1213531810 /nfs/dbraw/zinc/53/18/10/1213531810.db2.gz TZJGTRVUIJHADQ-BFYDXBDKSA-N 1 3 361.490 0.893 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009632777 1213799952 /nfs/dbraw/zinc/79/99/52/1213799952.db2.gz IMJGHSYZBZLSDQ-YWZLYKJASA-N 1 3 371.485 0.793 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)CC[N@@H+]1C ZINC000961664673 1214260364 /nfs/dbraw/zinc/26/03/64/1214260364.db2.gz FNUJIHSMJMOPQQ-SOVHRIKKSA-N 1 3 362.518 0.584 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)CC[N@H+]1C ZINC000961664673 1214260368 /nfs/dbraw/zinc/26/03/68/1214260368.db2.gz FNUJIHSMJMOPQQ-SOVHRIKKSA-N 1 3 362.518 0.584 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961666125 1214261368 /nfs/dbraw/zinc/26/13/68/1214261368.db2.gz DLHYYHVRYFILHE-XLMAVXFVSA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)CC[N@H+]1C ZINC000961666125 1214261373 /nfs/dbraw/zinc/26/13/73/1214261373.db2.gz DLHYYHVRYFILHE-XLMAVXFVSA-N 1 3 362.518 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC[N@@H+]1C ZINC000961674244 1214265034 /nfs/dbraw/zinc/26/50/34/1214265034.db2.gz ZZJUZZDSEFYTEK-HDEZJCGLSA-N 1 3 359.474 0.599 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC[N@H+]1C ZINC000961674244 1214265038 /nfs/dbraw/zinc/26/50/38/1214265038.db2.gz ZZJUZZDSEFYTEK-HDEZJCGLSA-N 1 3 359.474 0.599 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000963149541 1214751207 /nfs/dbraw/zinc/75/12/07/1214751207.db2.gz DHGDPRZZRJUIQA-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000963149541 1214751210 /nfs/dbraw/zinc/75/12/10/1214751210.db2.gz DHGDPRZZRJUIQA-MXASKKJJSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000967692242 1215255427 /nfs/dbraw/zinc/25/54/27/1215255427.db2.gz UHELGUAVBXOLOB-BFYDXBDKSA-N 1 3 361.490 0.989 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000967692242 1215255430 /nfs/dbraw/zinc/25/54/30/1215255430.db2.gz UHELGUAVBXOLOB-BFYDXBDKSA-N 1 3 361.490 0.989 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000827321539 1216586477 /nfs/dbraw/zinc/58/64/77/1216586477.db2.gz QEQKIBYBJLMFEN-NVXWUHKLSA-N 1 3 366.506 0.347 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001068873506 1216763604 /nfs/dbraw/zinc/76/36/04/1216763604.db2.gz BISXLLGEAGDVRS-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001068873506 1216763612 /nfs/dbraw/zinc/76/36/12/1216763612.db2.gz BISXLLGEAGDVRS-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO COC(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276882150 1225699068 /nfs/dbraw/zinc/69/90/68/1225699068.db2.gz HXENIGGTQQMZJZ-IAGOWNOFSA-N 1 3 366.506 0.252 20 0 FCADHO COC(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276882150 1225699071 /nfs/dbraw/zinc/69/90/71/1225699071.db2.gz HXENIGGTQQMZJZ-IAGOWNOFSA-N 1 3 366.506 0.252 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916257 1225746558 /nfs/dbraw/zinc/74/65/58/1225746558.db2.gz CZAMLCDUPQLMJF-NUJGCVRESA-N 1 3 362.518 0.777 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(CCNC(=O)C4CC4)[C@H]3C2)C1 ZINC001223916257 1225746561 /nfs/dbraw/zinc/74/65/61/1225746561.db2.gz CZAMLCDUPQLMJF-NUJGCVRESA-N 1 3 362.518 0.777 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226765797 1225854056 /nfs/dbraw/zinc/85/40/56/1225854056.db2.gz FPUCFMBDNHPTJG-MGPQQGTHSA-N 1 3 367.494 0.332 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226799868 1225854556 /nfs/dbraw/zinc/85/45/56/1225854556.db2.gz FLBYZSYKQNGJRI-KURKYZTESA-N 1 3 368.522 0.496 20 0 FCADHO COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831543 1225855645 /nfs/dbraw/zinc/85/56/45/1225855645.db2.gz SKGCMNRLPZZQLO-KZNAEPCWSA-N 1 3 371.522 0.512 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001227150458 1225864680 /nfs/dbraw/zinc/86/46/80/1225864680.db2.gz RQBCLOPKGLKFRI-BFHYXJOUSA-N 1 3 369.510 0.578 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001227149699 1225864871 /nfs/dbraw/zinc/86/48/71/1225864871.db2.gz DCRXICRFZGMMLL-HUUCEWRRSA-N 1 3 366.506 0.883 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804049241 1219102874 /nfs/dbraw/zinc/10/28/74/1219102874.db2.gz CAQCTDQGYQBSKY-IAGOWNOFSA-N 1 3 366.506 0.156 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070284444 1219349346 /nfs/dbraw/zinc/34/93/46/1219349346.db2.gz CTAGHXFAAGRURF-CVEARBPZSA-N 1 3 359.434 0.012 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070697472 1219530201 /nfs/dbraw/zinc/53/02/01/1219530201.db2.gz DWZKYXIENNZFDF-ZACQAIPSSA-N 1 3 363.506 0.559 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001228270461 1225907535 /nfs/dbraw/zinc/90/75/35/1225907535.db2.gz QWPISOFDFYBDFM-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO Cn1cnnc1CNC[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001099446073 1219998681 /nfs/dbraw/zinc/99/86/81/1219998681.db2.gz JBJCNOOVTOOGOE-IEZWGBDMSA-N 1 3 360.506 0.874 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001099445707 1219998957 /nfs/dbraw/zinc/99/89/57/1219998957.db2.gz CDUPSDAKCIRUBE-VPWXQRGCSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C)C(=O)NC(N)=O ZINC001228647791 1225940784 /nfs/dbraw/zinc/94/07/84/1225940784.db2.gz ZJSOGNCSSWCCLB-MGPQQGTHSA-N 1 3 369.510 0.565 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285031 1220267035 /nfs/dbraw/zinc/26/70/35/1220267035.db2.gz LRAFVNPYFSDDSX-TYILLQQXSA-N 1 3 364.490 0.302 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101285031 1220267038 /nfs/dbraw/zinc/26/70/38/1220267038.db2.gz LRAFVNPYFSDDSX-TYILLQQXSA-N 1 3 364.490 0.302 20 0 FCADHO CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305759 1220278496 /nfs/dbraw/zinc/27/84/96/1220278496.db2.gz QUIPDXXLKXLDBL-FUPNPVLKSA-N 1 3 363.502 0.666 20 0 FCADHO CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001101305759 1220278500 /nfs/dbraw/zinc/27/85/00/1220278500.db2.gz QUIPDXXLKXLDBL-FUPNPVLKSA-N 1 3 363.502 0.666 20 0 FCADHO CCCC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431378 1220341062 /nfs/dbraw/zinc/34/10/62/1220341062.db2.gz MCIFUJWKSFJCBE-GJYPPUQNSA-N 1 3 362.518 0.907 20 0 FCADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101435434 1220343645 /nfs/dbraw/zinc/34/36/45/1220343645.db2.gz OVTYNHRPHZCSFH-APWZRJJASA-N 1 3 365.522 0.524 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460463 1220359405 /nfs/dbraw/zinc/35/94/05/1220359405.db2.gz GRXJJWGCXATAIK-MDZRGWNJSA-N 1 3 365.522 0.426 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460463 1220359408 /nfs/dbraw/zinc/35/94/08/1220359408.db2.gz GRXJJWGCXATAIK-MDZRGWNJSA-N 1 3 365.522 0.426 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373082 1220597805 /nfs/dbraw/zinc/59/78/05/1220597805.db2.gz ULYLTCRDJVGHIS-CLCXKQKWSA-N 1 3 370.513 0.971 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373082 1220597808 /nfs/dbraw/zinc/59/78/08/1220597808.db2.gz ULYLTCRDJVGHIS-CLCXKQKWSA-N 1 3 370.513 0.971 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102532410 1220684392 /nfs/dbraw/zinc/68/43/92/1220684392.db2.gz KRLVHLKUUBUYPK-GDBMZVCRSA-N 1 3 361.490 0.957 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102532410 1220684394 /nfs/dbraw/zinc/68/43/94/1220684394.db2.gz KRLVHLKUUBUYPK-GDBMZVCRSA-N 1 3 361.490 0.957 20 0 FCADHO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102783177 1220782623 /nfs/dbraw/zinc/78/26/23/1220782623.db2.gz YGQWNHWXADKZTP-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102783177 1220782627 /nfs/dbraw/zinc/78/26/27/1220782627.db2.gz YGQWNHWXADKZTP-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103733 1220833926 /nfs/dbraw/zinc/83/39/26/1220833926.db2.gz WVYWCIPKQVNFAA-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103733 1220833927 /nfs/dbraw/zinc/83/39/27/1220833927.db2.gz WVYWCIPKQVNFAA-RBSFLKMASA-N 1 3 367.494 0.130 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103375040 1220872616 /nfs/dbraw/zinc/87/26/16/1220872616.db2.gz WIRFJVBKDSWOCJ-NVXWUHKLSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396873 1220877087 /nfs/dbraw/zinc/87/70/87/1220877087.db2.gz NNMUXNYOJYWPPS-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001103456990 1220886753 /nfs/dbraw/zinc/88/67/53/1220886753.db2.gz QCVKLNRNWRTHNY-OWYHZJEWSA-N 1 3 372.513 0.891 20 0 FCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001103456990 1220886755 /nfs/dbraw/zinc/88/67/55/1220886755.db2.gz QCVKLNRNWRTHNY-OWYHZJEWSA-N 1 3 372.513 0.891 20 0 FCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612709 1220913453 /nfs/dbraw/zinc/91/34/53/1220913453.db2.gz QUDBLDOPJABJGN-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001103612709 1220913457 /nfs/dbraw/zinc/91/34/57/1220913457.db2.gz QUDBLDOPJABJGN-QLFBSQMISA-N 1 3 369.510 0.247 20 0 FCADHO CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811864 1221123768 /nfs/dbraw/zinc/12/37/68/1221123768.db2.gz UEGSZNMMEPANKK-OXNJRSESSA-N 1 3 363.502 0.857 20 0 FCADHO CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811864 1221123771 /nfs/dbraw/zinc/12/37/71/1221123771.db2.gz UEGSZNMMEPANKK-OXNJRSESSA-N 1 3 363.502 0.857 20 0 FCADHO CN1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC001116036497 1221331169 /nfs/dbraw/zinc/33/11/69/1221331169.db2.gz JQUPKWZABQCVBM-GOSISDBHSA-N 1 3 366.554 0.090 20 0 FCADHO COCC1(O)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001116395588 1221359592 /nfs/dbraw/zinc/35/95/92/1221359592.db2.gz GWGSNHDKHPRZPG-UHFFFAOYSA-N 1 3 368.522 0.728 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001229860170 1226036407 /nfs/dbraw/zinc/03/64/07/1226036407.db2.gz NJRPFLHTWSTCFB-RBSFLKMASA-N 1 3 369.510 0.579 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1C ZINC001116709808 1221382052 /nfs/dbraw/zinc/38/20/52/1221382052.db2.gz SNEYGINOWKDEGS-UHFFFAOYSA-N 1 3 366.510 0.608 20 0 FCADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229932918 1226039771 /nfs/dbraw/zinc/03/97/71/1226039771.db2.gz CWLVSPFKIXWIEO-ARFHVFGLSA-N 1 3 368.478 0.302 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001230284745 1226071555 /nfs/dbraw/zinc/07/15/55/1226071555.db2.gz SRCUQDBDLVKIMD-HUUCEWRRSA-N 1 3 367.494 0.332 20 0 FCADHO CN(C)CCn1nccc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001119593036 1221938064 /nfs/dbraw/zinc/93/80/64/1221938064.db2.gz ODTOMJGHPNERTA-UHFFFAOYSA-N 1 3 362.522 0.544 20 0 FCADHO C(N1CC[C@H](C2OCCO2)C1)C1(C[N@@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913798 1221999252 /nfs/dbraw/zinc/99/92/52/1221999252.db2.gz UHGZCKZVYTWZHN-HOTGVXAUSA-N 1 3 368.474 0.393 20 0 FCADHO C(N1CC[C@H](C2OCCO2)C1)C1(C[N@H+]2CC[C@H](C3OCCO3)C2)COC1 ZINC001119913798 1221999257 /nfs/dbraw/zinc/99/92/57/1221999257.db2.gz UHGZCKZVYTWZHN-HOTGVXAUSA-N 1 3 368.474 0.393 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1c(F)cc(F)cc1F ZINC001119919327 1221999945 /nfs/dbraw/zinc/99/99/45/1221999945.db2.gz ZRDKCHNYNASUPF-UHFFFAOYSA-N 1 3 374.407 0.672 20 0 FCADHO C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123693430 1222350097 /nfs/dbraw/zinc/35/00/97/1222350097.db2.gz ABNSLPQDDCBJCM-RCCFBDPRSA-N 1 3 367.538 0.375 20 0 FCADHO C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001123693430 1222350103 /nfs/dbraw/zinc/35/01/03/1222350103.db2.gz ABNSLPQDDCBJCM-RCCFBDPRSA-N 1 3 367.538 0.375 20 0 FCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000828284771 1222399163 /nfs/dbraw/zinc/39/91/63/1222399163.db2.gz RXJJPWCREDARNI-BBWFWOEESA-N 1 3 366.506 0.345 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@@H]3C(=O)OC)CC2)CC1 ZINC000830357296 1222471254 /nfs/dbraw/zinc/47/12/54/1222471254.db2.gz NYNRXIJBOYHQNQ-IAGOWNOFSA-N 1 3 367.490 0.318 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)CC1 ZINC000841018531 1222805428 /nfs/dbraw/zinc/80/54/28/1222805428.db2.gz VZEKZPBVNYGTQJ-GOSISDBHSA-N 1 3 360.506 0.935 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841143112 1222809652 /nfs/dbraw/zinc/80/96/52/1222809652.db2.gz INNUZIRAPXHFGX-HNNXBMFYSA-N 1 3 359.474 0.717 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000841151401 1222810012 /nfs/dbraw/zinc/81/00/12/1222810012.db2.gz UGARULQNLWUMHP-UHFFFAOYSA-N 1 3 359.474 0.589 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000841148956 1222810233 /nfs/dbraw/zinc/81/02/33/1222810233.db2.gz BLSLEUWWCOHWKO-INIZCTEOSA-N 1 3 359.474 0.587 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000841169459 1222812046 /nfs/dbraw/zinc/81/20/46/1222812046.db2.gz LMFUTMRJXWAYFG-MRXNPFEDSA-N 1 3 373.501 0.835 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000841200540 1222813301 /nfs/dbraw/zinc/81/33/01/1222813301.db2.gz OXLQVEINHNFITN-JKSUJKDBSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000841263874 1222816920 /nfs/dbraw/zinc/81/69/20/1222816920.db2.gz GSMYXQPNZCLBSE-QAPCUYQASA-N 1 3 371.485 0.587 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001157720215 1223081238 /nfs/dbraw/zinc/08/12/38/1223081238.db2.gz CRMPVWIXEXXFSO-QGZVFWFLSA-N 1 3 360.458 0.229 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157780162 1223082415 /nfs/dbraw/zinc/08/24/15/1223082415.db2.gz CLKBQTHNLIMPNL-RLFYNMQTSA-N 1 3 372.485 0.147 20 0 FCADHO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001157842084 1223082642 /nfs/dbraw/zinc/08/26/42/1223082642.db2.gz IYWNJXPJAXEWCS-JYJNAYRXSA-N 1 3 361.490 0.895 20 0 FCADHO CN1C[C@@H](C(=O)N2CCNC[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959424 1223085019 /nfs/dbraw/zinc/08/50/19/1223085019.db2.gz BHVUKXXRLGKXDV-MSOLQXFVSA-N 1 3 358.486 0.612 20 0 FCADHO CN1C[C@H](C(=O)N2CCNC[C@@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959425 1223085217 /nfs/dbraw/zinc/08/52/17/1223085217.db2.gz BHVUKXXRLGKXDV-QZTJIDSGSA-N 1 3 358.486 0.612 20 0 FCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119927 1223089484 /nfs/dbraw/zinc/08/94/84/1223089484.db2.gz JMAXKMRSPRMJNY-HKUYNNGSSA-N 1 3 360.433 0.024 20 0 FCADHO N[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC001158118549 1223089809 /nfs/dbraw/zinc/08/98/09/1223089809.db2.gz AGYNGWDUALHLPK-DUVUSLHFSA-N 1 3 372.513 0.468 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cc(=O)oc2c1 ZINC001158215825 1223091036 /nfs/dbraw/zinc/09/10/36/1223091036.db2.gz PTDHKWFJDVGLNW-HRCADAONSA-N 1 3 357.410 0.634 20 0 FCADHO NC(=O)c1ccc(C[C@H](N)C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)cc1 ZINC001158336003 1223094891 /nfs/dbraw/zinc/09/48/91/1223094891.db2.gz FVUHHLAKHSPTGM-GBESFXJTSA-N 1 3 364.449 0.753 20 0 FCADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C2 ZINC001158429816 1223097861 /nfs/dbraw/zinc/09/78/61/1223097861.db2.gz BOUUKQCRXMGGRT-ZDUSSCGKSA-N 1 3 366.466 0.293 20 0 FCADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C1(N)CC(F)C1)C2 ZINC001158479355 1223099347 /nfs/dbraw/zinc/09/93/47/1223099347.db2.gz JKWFWLGJNJJRFU-RUAQEJLXSA-N 1 3 367.465 0.987 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891373 1223111953 /nfs/dbraw/zinc/11/19/53/1223111953.db2.gz YBQBFGBPSLWDRB-YEWWUXTCSA-N 1 3 374.420 0.368 20 0 FCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891373 1223111956 /nfs/dbraw/zinc/11/19/56/1223111956.db2.gz YBQBFGBPSLWDRB-YEWWUXTCSA-N 1 3 374.420 0.368 20 0 FCADHO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001159125798 1223117928 /nfs/dbraw/zinc/11/79/28/1223117928.db2.gz ITQAWVCZLRSJET-GOEBONIOSA-N 1 3 364.494 0.482 20 0 FCADHO O=C(CNC1CC[NH2+]CC1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159160588 1223119493 /nfs/dbraw/zinc/11/94/93/1223119493.db2.gz LVNJGPJBWVYKIJ-UHFFFAOYSA-N 1 3 360.506 0.205 20 0 FCADHO N[C@@H](C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159210150 1223120607 /nfs/dbraw/zinc/12/06/07/1223120607.db2.gz OYUJNXIDMNILKE-BSDSXHPESA-N 1 3 360.458 0.151 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001159284487 1223123064 /nfs/dbraw/zinc/12/30/64/1223123064.db2.gz YWXMOIABPACERW-QAPCUYQASA-N 1 3 372.473 0.772 20 0 FCADHO Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159367866 1223125195 /nfs/dbraw/zinc/12/51/95/1223125195.db2.gz LVIOJVNGOCKJQB-WBVHZDCISA-N 1 3 372.473 0.524 20 0 FCADHO N[C@@H](CC1CCC1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402267 1223125935 /nfs/dbraw/zinc/12/59/35/1223125935.db2.gz GKQHVAWRFNYLRD-LUKYLMHMSA-N 1 3 359.474 0.952 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769747 1223136126 /nfs/dbraw/zinc/13/61/26/1223136126.db2.gz NIQGQSGXNUOLAE-HZMVEIRTSA-N 1 3 366.506 0.330 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)CC[C@H]21 ZINC001159781002 1223136458 /nfs/dbraw/zinc/13/64/58/1223136458.db2.gz FRDZPBHOHJFJTK-IXDOHACOSA-N 1 3 362.518 0.966 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)CC[C@H]21 ZINC001159781002 1223136463 /nfs/dbraw/zinc/13/64/63/1223136463.db2.gz FRDZPBHOHJFJTK-IXDOHACOSA-N 1 3 362.518 0.966 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)CC[C@@H]21 ZINC001159781001 1223136557 /nfs/dbraw/zinc/13/65/57/1223136557.db2.gz FRDZPBHOHJFJTK-IKGGRYGDSA-N 1 3 362.518 0.966 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)CC[C@@H]21 ZINC001159781001 1223136559 /nfs/dbraw/zinc/13/65/59/1223136559.db2.gz FRDZPBHOHJFJTK-IKGGRYGDSA-N 1 3 362.518 0.966 20 0 FCADHO CN(Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001159898526 1223139370 /nfs/dbraw/zinc/13/93/70/1223139370.db2.gz OBHVSQZZFUYJEB-LPHOPBHVSA-N 1 3 369.469 0.881 20 0 FCADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]12 ZINC001159993749 1223142491 /nfs/dbraw/zinc/14/24/91/1223142491.db2.gz QNINRAXRHOKILK-GGPKGHCWSA-N 1 3 358.486 0.844 20 0 FCADHO N[C@H](C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1)C1CC[NH2+]CC1 ZINC001160050652 1223143450 /nfs/dbraw/zinc/14/34/50/1223143450.db2.gz ZHLJLBLFEOXJLP-WSTZPKSXSA-N 1 3 374.485 0.400 20 0 FCADHO N[C@@H](C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001160110603 1223145811 /nfs/dbraw/zinc/14/58/11/1223145811.db2.gz NODCASASTRJHIX-DLBZAZTESA-N 1 3 371.485 0.373 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001160168809 1223146914 /nfs/dbraw/zinc/14/69/14/1223146914.db2.gz AMUVKSMYWQPZGU-NVXWUHKLSA-N 1 3 363.506 0.490 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001160168809 1223146916 /nfs/dbraw/zinc/14/69/16/1223146916.db2.gz AMUVKSMYWQPZGU-NVXWUHKLSA-N 1 3 363.506 0.490 20 0 FCADHO CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001160323184 1223155082 /nfs/dbraw/zinc/15/50/82/1223155082.db2.gz JFAOJTNVEZVDQZ-CABCVRRESA-N 1 3 374.489 0.032 20 0 FCADHO N[C@@H](C(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1F)C1CC[NH2+]CC1 ZINC001160420741 1223158289 /nfs/dbraw/zinc/15/82/89/1223158289.db2.gz KJUZNIGGIBQFQZ-OAHLLOKOSA-N 1 3 360.433 0.965 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(Cc2c[nH]c3ncccc23)CC1 ZINC001160566641 1223164696 /nfs/dbraw/zinc/16/46/96/1223164696.db2.gz VBPWSBHSPOUPHN-MRXNPFEDSA-N 1 3 354.458 0.016 20 0 FCADHO N[C@H](C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)C1CC[NH2+]CC1 ZINC001160905621 1223180459 /nfs/dbraw/zinc/18/04/59/1223180459.db2.gz RWBXVBDGIDSYIK-KRWDZBQOSA-N 1 3 370.457 0.282 20 0 FCADHO O=C([C@@H]1CNC[C@H](F)C1)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196353 1223188539 /nfs/dbraw/zinc/18/85/39/1223188539.db2.gz DLJBKQKOLJZETI-ZWKOTPCHSA-N 1 3 370.513 0.485 20 0 FCADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C2)nc1 ZINC001161299534 1223194251 /nfs/dbraw/zinc/19/42/51/1223194251.db2.gz WRDWFRVGAPXVEY-UKRRQHHQSA-N 1 3 361.446 0.339 20 0 FCADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C2)nc1 ZINC001161299534 1223194255 /nfs/dbraw/zinc/19/42/55/1223194255.db2.gz WRDWFRVGAPXVEY-UKRRQHHQSA-N 1 3 361.446 0.339 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001161360018 1223196575 /nfs/dbraw/zinc/19/65/75/1223196575.db2.gz SHMQLIYJDRLMML-HOTGVXAUSA-N 1 3 369.469 0.834 20 0 FCADHO CCN(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC001161333682 1223196693 /nfs/dbraw/zinc/19/66/93/1223196693.db2.gz WEDCAOARLYEPCS-CVEARBPZSA-N 1 3 361.490 0.910 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC001161412108 1223198542 /nfs/dbraw/zinc/19/85/42/1223198542.db2.gz GCEMMXHCJDGIBE-FKSAFCJBSA-N 1 3 371.437 0.867 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)CC2 ZINC001161480606 1223200814 /nfs/dbraw/zinc/20/08/14/1223200814.db2.gz PMBKVPWDXJFPFH-FHSNZYRGSA-N 1 3 369.462 0.189 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@H](N)c1ccc(OC)nc1)CC2 ZINC001161480558 1223201064 /nfs/dbraw/zinc/20/10/64/1223201064.db2.gz UVLVWJFILCYVHV-DEYYWGMASA-N 1 3 362.430 0.234 20 0 FCADHO CN1CCN(CCCNc2ncccc2C(=O)NCCC[NH+](C)C)CC1 ZINC001161703333 1223207302 /nfs/dbraw/zinc/20/73/02/1223207302.db2.gz CYGOPZCYWPJOFK-UHFFFAOYSA-N 1 3 362.522 0.813 20 0 FCADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092061 1223515347 /nfs/dbraw/zinc/51/53/47/1223515347.db2.gz IEJBKBKVHQRINU-HHXXYDBFSA-N 1 3 363.502 0.848 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208609068 1223562408 /nfs/dbraw/zinc/56/24/08/1223562408.db2.gz UIYDOFZBDKRYFP-INIZCTEOSA-N 1 3 360.502 0.679 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609068 1223562412 /nfs/dbraw/zinc/56/24/12/1223562412.db2.gz UIYDOFZBDKRYFP-INIZCTEOSA-N 1 3 360.502 0.679 20 0 FCADHO C[C@H](COCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C)[NH+]1CCCC1 ZINC001208738932 1223574849 /nfs/dbraw/zinc/57/48/49/1223574849.db2.gz LWRWROGBCIGIAU-KZNAEPCWSA-N 1 3 363.506 0.821 20 0 FCADHO Nc1ccncc1C[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001209730105 1223644862 /nfs/dbraw/zinc/64/48/62/1223644862.db2.gz FRNPFVCVRIXRQW-HNAYVOBHSA-N 1 3 368.441 0.838 20 0 FCADHO Nc1ccncc1C[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001209730105 1223644863 /nfs/dbraw/zinc/64/48/63/1223644863.db2.gz FRNPFVCVRIXRQW-HNAYVOBHSA-N 1 3 368.441 0.838 20 0 FCADHO CN(Cc1nc(-c2cccc(CN3CCN(C)CC3)c2)no1)C(=O)C[NH3+] ZINC001211362373 1223736847 /nfs/dbraw/zinc/73/68/47/1223736847.db2.gz XVTFJAMQKZPEGX-UHFFFAOYSA-N 1 3 358.446 0.401 20 0 FCADHO c1cc(-c2noc(-c3cnc(N4CC[NH2+]CC4)cn3)n2)nc2c1CNCC2 ZINC001213597977 1223820518 /nfs/dbraw/zinc/82/05/18/1223820518.db2.gz AHSPCZSCCICUCP-UHFFFAOYSA-N 1 3 364.413 0.644 20 0 FCADHO CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638329 1223825995 /nfs/dbraw/zinc/82/59/95/1223825995.db2.gz JCGHPXJWSPPXNG-CGTJXYLNSA-N 1 3 369.506 0.482 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214597525 1223924670 /nfs/dbraw/zinc/92/46/70/1223924670.db2.gz LGSTZNGXFSSCJD-RBSFLKMASA-N 1 3 367.494 0.141 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214597525 1223924674 /nfs/dbraw/zinc/92/46/74/1223924674.db2.gz LGSTZNGXFSSCJD-RBSFLKMASA-N 1 3 367.494 0.141 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001214847674 1223947898 /nfs/dbraw/zinc/94/78/98/1223947898.db2.gz NKZZDUBBCMYNRC-OWCLPIDISA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215184608 1223980608 /nfs/dbraw/zinc/98/06/08/1223980608.db2.gz LARHDUZYSNWXAJ-LVPSCPSHSA-N 1 3 363.502 0.713 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215224731 1223984009 /nfs/dbraw/zinc/98/40/09/1223984009.db2.gz XANQOZIJULRCLY-LSBZLQRGSA-N 1 3 362.518 0.918 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604461 1224009237 /nfs/dbraw/zinc/00/92/37/1224009237.db2.gz BZMBSBHHAJFWQM-NRSFXHEJSA-N 1 3 358.486 0.514 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C ZINC001215604461 1224009239 /nfs/dbraw/zinc/00/92/39/1224009239.db2.gz BZMBSBHHAJFWQM-NRSFXHEJSA-N 1 3 358.486 0.514 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001215972939 1224027732 /nfs/dbraw/zinc/02/77/32/1224027732.db2.gz FYKDCNJENZAIKM-BZUAXINKSA-N 1 3 366.506 0.740 20 0 FCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216324252 1224044328 /nfs/dbraw/zinc/04/43/28/1224044328.db2.gz SINZHJNEGBTZPZ-KFWWJZLASA-N 1 3 367.494 0.272 20 0 FCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001216324252 1224044329 /nfs/dbraw/zinc/04/43/29/1224044329.db2.gz SINZHJNEGBTZPZ-KFWWJZLASA-N 1 3 367.494 0.272 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)Nc1ccccc1 ZINC001216400972 1224048759 /nfs/dbraw/zinc/04/87/59/1224048759.db2.gz FPAACNZYHSTSJK-NVXWUHKLSA-N 1 3 362.474 0.640 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752892 1224068248 /nfs/dbraw/zinc/06/82/48/1224068248.db2.gz ZABDYOUKZAICIX-IXDOHACOSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)OCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752892 1224068250 /nfs/dbraw/zinc/06/82/50/1224068250.db2.gz ZABDYOUKZAICIX-IXDOHACOSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001216851801 1224079142 /nfs/dbraw/zinc/07/91/42/1224079142.db2.gz ISGKFFJSAKUIAP-JFIYKMOQSA-N 1 3 371.522 0.320 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCC(OC)OC)CC2)CC1 ZINC000847853408 1245351429 /nfs/dbraw/zinc/35/14/29/1245351429.db2.gz WOEACKDCEFDPAJ-UHFFFAOYSA-N 1 3 371.522 0.934 20 0 FCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848931892 1245387615 /nfs/dbraw/zinc/38/76/15/1245387615.db2.gz IHHRIHQPPWYCAX-QBPKDAKJSA-N 1 3 364.490 0.099 20 0 FCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848931892 1245387620 /nfs/dbraw/zinc/38/76/20/1245387620.db2.gz IHHRIHQPPWYCAX-QBPKDAKJSA-N 1 3 364.490 0.099 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516489 1245504779 /nfs/dbraw/zinc/50/47/79/1245504779.db2.gz KOQNMAWJNQLFFQ-BMGDILEWSA-N 1 3 358.486 0.821 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911516489 1245504787 /nfs/dbraw/zinc/50/47/87/1245504787.db2.gz KOQNMAWJNQLFFQ-BMGDILEWSA-N 1 3 358.486 0.821 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517435 1245504964 /nfs/dbraw/zinc/50/49/64/1245504964.db2.gz JHMDIPCIDRNUIP-VDHUWJSZSA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000911517435 1245504971 /nfs/dbraw/zinc/50/49/71/1245504971.db2.gz JHMDIPCIDRNUIP-VDHUWJSZSA-N 1 3 356.470 0.670 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000915714774 1245526867 /nfs/dbraw/zinc/52/68/67/1245526867.db2.gz KCNDKQUBFYTQPE-UHFFFAOYSA-N 1 3 361.490 0.835 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000976601918 1248281024 /nfs/dbraw/zinc/28/10/24/1248281024.db2.gz YVJSCRSBDCQCJX-ZXLDYLNASA-N 1 3 362.518 0.774 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000976601918 1248281039 /nfs/dbraw/zinc/28/10/39/1248281039.db2.gz YVJSCRSBDCQCJX-ZXLDYLNASA-N 1 3 362.518 0.774 20 0 FCADHO NC(=O)C[C@H]1CC[N@@H+](Cc2cncc(CN3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559338 /nfs/dbraw/zinc/55/93/38/1265559338.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 1 3 359.474 0.476 20 0 FCADHO NC(=O)C[C@H]1CC[N@H+](Cc2cncc(CN3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559350 /nfs/dbraw/zinc/55/93/50/1265559350.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 1 3 359.474 0.476 20 0 FCADHO NC(=O)C[C@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559357 /nfs/dbraw/zinc/55/93/57/1265559357.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 1 3 359.474 0.476 20 0 FCADHO NC(=O)C[C@H]1CCN(Cc2cncc(C[N@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481217 1265559365 /nfs/dbraw/zinc/55/93/65/1265559365.db2.gz BWKJFQGJXRLLFI-GASCZTMLSA-N 1 3 359.474 0.476 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)CC[N@@H+]1C ZINC000996776470 1251431045 /nfs/dbraw/zinc/43/10/45/1251431045.db2.gz NNOJXRLURBXPDH-WZOJCFFYSA-N 1 3 366.550 0.754 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(N3CCN(CCO)CC3)CC2)CC[N@H+]1C ZINC000996776470 1251431052 /nfs/dbraw/zinc/43/10/52/1251431052.db2.gz NNOJXRLURBXPDH-WZOJCFFYSA-N 1 3 366.550 0.754 20 0 FCADHO CN(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CCC1 ZINC000998655810 1251942788 /nfs/dbraw/zinc/94/27/88/1251942788.db2.gz PPIZDACVXNKEHQ-IKGGRYGDSA-N 1 3 360.502 0.815 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004392272 1253311602 /nfs/dbraw/zinc/31/16/02/1253311602.db2.gz BMBAAYJMMYADSK-VQHPVUNQSA-N 1 3 360.502 0.672 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001027418493 1253852052 /nfs/dbraw/zinc/85/20/52/1253852052.db2.gz DYRZHOLVZOLNNA-YESZJQIVSA-N 1 3 365.522 0.665 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001027418493 1253852069 /nfs/dbraw/zinc/85/20/69/1253852069.db2.gz DYRZHOLVZOLNNA-YESZJQIVSA-N 1 3 365.522 0.665 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN(CC(=O)N4CCC4)C3)CC2)CC[N@@H+]1C ZINC001035187350 1254021039 /nfs/dbraw/zinc/02/10/39/1254021039.db2.gz UMUFLSZXYOPMJQ-IAGOWNOFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN(CC(=O)N4CCC4)C3)CC2)CC[N@H+]1C ZINC001035187350 1254021047 /nfs/dbraw/zinc/02/10/47/1254021047.db2.gz UMUFLSZXYOPMJQ-IAGOWNOFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001061655569 1254198594 /nfs/dbraw/zinc/19/85/94/1254198594.db2.gz RFXXFKCELOMUML-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001061655569 1254198598 /nfs/dbraw/zinc/19/85/98/1254198598.db2.gz RFXXFKCELOMUML-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080161359 1255766781 /nfs/dbraw/zinc/76/67/81/1255766781.db2.gz YNCVZBRFVXAKAZ-LGFHUAIBSA-N 1 3 363.502 0.713 20 0 FCADHO C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080161359 1255766788 /nfs/dbraw/zinc/76/67/88/1255766788.db2.gz YNCVZBRFVXAKAZ-LGFHUAIBSA-N 1 3 363.502 0.713 20 0 FCADHO C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080934952 1256103844 /nfs/dbraw/zinc/10/38/44/1256103844.db2.gz HAGRRAFDBYAYLZ-FRFSOERESA-N 1 3 356.474 0.857 20 0 FCADHO C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080934952 1256103853 /nfs/dbraw/zinc/10/38/53/1256103853.db2.gz HAGRRAFDBYAYLZ-FRFSOERESA-N 1 3 356.474 0.857 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082570193 1256877329 /nfs/dbraw/zinc/87/73/29/1256877329.db2.gz BJWSWBLPCWBLMA-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082570193 1256877343 /nfs/dbraw/zinc/87/73/43/1256877343.db2.gz BJWSWBLPCWBLMA-IXDOHACOSA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082653306 1256957979 /nfs/dbraw/zinc/95/79/79/1256957979.db2.gz FCQOPCPSGOIKPY-LVPSCPSHSA-N 1 3 363.502 0.713 20 0 FCADHO CC(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149100 1257404417 /nfs/dbraw/zinc/40/44/17/1257404417.db2.gz YSYRCOQMPWTPSS-VVJOJPPRSA-N 1 3 363.502 0.807 20 0 FCADHO CC(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083149100 1257404420 /nfs/dbraw/zinc/40/44/20/1257404420.db2.gz YSYRCOQMPWTPSS-VVJOJPPRSA-N 1 3 363.502 0.807 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001084090834 1257914642 /nfs/dbraw/zinc/91/46/42/1257914642.db2.gz KXSHQPNZTUVNPK-LZQZEXGQSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001084090834 1257914654 /nfs/dbraw/zinc/91/46/54/1257914654.db2.gz KXSHQPNZTUVNPK-LZQZEXGQSA-N 1 3 361.486 0.950 20 0 FCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085196633 1258626660 /nfs/dbraw/zinc/62/66/60/1258626660.db2.gz IFPODYPEJTUXAU-BRWVUGGUSA-N 1 3 365.522 0.901 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105637438 1258920381 /nfs/dbraw/zinc/92/03/81/1258920381.db2.gz PQQIUYAQJZKLTD-HNBVOPMISA-N 1 3 367.534 0.819 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106635269 1258930461 /nfs/dbraw/zinc/93/04/61/1258930461.db2.gz WBIZIARQHIZVHL-IIAWOOMASA-N 1 3 369.510 0.102 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1)N(C)C ZINC001106634004 1258930554 /nfs/dbraw/zinc/93/05/54/1258930554.db2.gz ZPMCZMPYSPQWLE-IIDMSEBBSA-N 1 3 366.506 0.406 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC001106910653 1258994116 /nfs/dbraw/zinc/99/41/16/1258994116.db2.gz IHUHUEYGBNWGCT-UKRRQHHQSA-N 1 3 365.478 0.947 20 0 FCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570932 1259180278 /nfs/dbraw/zinc/18/02/78/1259180278.db2.gz GKWBUJQATDXGDQ-AEFFLSMTSA-N 1 3 368.522 0.306 20 0 FCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571643 1259181894 /nfs/dbraw/zinc/18/18/94/1259181894.db2.gz VSCJTNDUHKXITD-AEFFLSMTSA-N 1 3 368.522 0.211 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCc2ccccc2)CC[N@@H+]1C ZINC001127701535 1259184549 /nfs/dbraw/zinc/18/45/49/1259184549.db2.gz RVQBRBHKPYLLKC-ZWKOTPCHSA-N 1 3 360.502 0.781 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCc2ccccc2)CC[N@H+]1C ZINC001127701535 1259184554 /nfs/dbraw/zinc/18/45/54/1259184554.db2.gz RVQBRBHKPYLLKC-ZWKOTPCHSA-N 1 3 360.502 0.781 20 0 FCADHO CCN(CC)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537643 1259416520 /nfs/dbraw/zinc/41/65/20/1259416520.db2.gz SGKKRINWDPYMQA-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCN(CC)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537643 1259416523 /nfs/dbraw/zinc/41/65/23/1259416523.db2.gz SGKKRINWDPYMQA-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001211675157 1259426088 /nfs/dbraw/zinc/42/60/88/1259426088.db2.gz OFRDQJVAJPVMBR-OKYOBFRVSA-N 1 3 363.502 0.918 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001211675156 1259426290 /nfs/dbraw/zinc/42/62/90/1259426290.db2.gz OFRDQJVAJPVMBR-HCXYKTFWSA-N 1 3 363.502 0.918 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001211713383 1259427425 /nfs/dbraw/zinc/42/74/25/1259427425.db2.gz JMZDIMOUCZKKFX-GBESFXJTSA-N 1 3 363.502 0.920 20 0 FCADHO CO[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001212495599 1259525630 /nfs/dbraw/zinc/52/56/30/1259525630.db2.gz KRHCVTFFWHPDOD-KBAYOESNSA-N 1 3 364.490 0.884 20 0 FCADHO c1cnc(N2CCC[C@]3(C2)CN([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)cn1 ZINC001246756229 1259682165 /nfs/dbraw/zinc/68/21/65/1259682165.db2.gz MUQJVBUYKIKVMP-VQIMIIECSA-N 1 3 358.490 0.242 20 0 FCADHO CC(C)N1CCN(CC[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253161963 1259823978 /nfs/dbraw/zinc/82/39/78/1259823978.db2.gz GCFAKCYJKCQETE-LJQANCHMSA-N 1 3 365.518 0.577 20 0 FCADHO CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185883 1259829120 /nfs/dbraw/zinc/82/91/20/1259829120.db2.gz JOKHSZRZNKALRT-HKUYNNGSSA-N 1 3 363.506 0.942 20 0 FCADHO CCN(CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185883 1259829128 /nfs/dbraw/zinc/82/91/28/1259829128.db2.gz JOKHSZRZNKALRT-HKUYNNGSSA-N 1 3 363.506 0.942 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1CN([C@@H]2CCC[N@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523724 1259889501 /nfs/dbraw/zinc/88/95/01/1259889501.db2.gz VPEYNPGPWYGZAK-YYIAUSFCSA-N 1 3 361.490 0.866 20 0 FCADHO Cn1ccnc1C(=O)N[C@H]1CN([C@@H]2CCC[N@@H+](C)CC2)[C@@H]2CCCO[C@@H]21 ZINC001254523724 1259889509 /nfs/dbraw/zinc/88/95/09/1259889509.db2.gz VPEYNPGPWYGZAK-YYIAUSFCSA-N 1 3 361.490 0.866 20 0 FCADHO CN1CC[C@H](N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001255426356 1259911414 /nfs/dbraw/zinc/91/14/14/1259911414.db2.gz COMBLCDGRLAJNL-UWWQBHOKSA-N 1 3 365.453 0.521 20 0 FCADHO Cn1nnc2c1CCN([C@H]1CCCN(C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001255490562 1259916548 /nfs/dbraw/zinc/91/65/48/1259916548.db2.gz UGXIINJBSLQNOC-WMZOPIPTSA-N 1 3 362.522 0.921 20 0 FCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001336961997 1260269807 /nfs/dbraw/zinc/26/98/07/1260269807.db2.gz VUECMKDQIJWUNM-HZPDHXFCSA-N 1 3 365.522 0.747 20 0 FCADHO CN(C(=O)CN1CCC(CO)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001337128521 1260317477 /nfs/dbraw/zinc/31/74/77/1260317477.db2.gz YXEVJKLTEPBXMX-SFHVURJKSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C(=O)CN1CCC(CO)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001337128521 1260317487 /nfs/dbraw/zinc/31/74/87/1260317487.db2.gz YXEVJKLTEPBXMX-SFHVURJKSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C(=O)CN1CCC(CO)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001337128521 1260317496 /nfs/dbraw/zinc/31/74/96/1260317496.db2.gz YXEVJKLTEPBXMX-SFHVURJKSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272832763 1260513105 /nfs/dbraw/zinc/51/31/05/1260513105.db2.gz YVUMMAGQTFRZJL-PXNSSMCTSA-N 1 3 362.518 0.873 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001273312069 1260655116 /nfs/dbraw/zinc/65/51/16/1260655116.db2.gz BUUWZGMANXLQBH-IRXDYDNUSA-N 1 3 362.518 0.920 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3ccc(CCO)cc3)C2)OCC1=O ZINC001277918556 1260676579 /nfs/dbraw/zinc/67/65/79/1260676579.db2.gz ZZDWPTPLIJAFJM-FQEVSTJZSA-N 1 3 361.486 0.586 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181392 1260685448 /nfs/dbraw/zinc/68/54/48/1260685448.db2.gz DXOZTGVHFLUNGV-QRVBRYPASA-N 1 3 364.534 0.977 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181392 1260685455 /nfs/dbraw/zinc/68/54/55/1260685455.db2.gz DXOZTGVHFLUNGV-QRVBRYPASA-N 1 3 364.534 0.977 20 0 FCADHO COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cn[nH]c4)CC3)[C@@H]2C1 ZINC001278488397 1260700202 /nfs/dbraw/zinc/70/02/02/1260700202.db2.gz UAQNBDXOAJJCIL-HZPDHXFCSA-N 1 3 363.462 0.043 20 0 FCADHO COCCOC[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cn[nH]c4)CC3)[C@@H]2C1 ZINC001278488397 1260700205 /nfs/dbraw/zinc/70/02/05/1260700205.db2.gz UAQNBDXOAJJCIL-HZPDHXFCSA-N 1 3 363.462 0.043 20 0 FCADHO CN1CCC([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CNN3C=CNC=C23)CC1 ZINC001280070203 1260989138 /nfs/dbraw/zinc/98/91/38/1260989138.db2.gz OPZXZHYKWWCANJ-IYBDPMFKSA-N 1 3 356.474 0.376 20 0 FCADHO CN1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CNN3C=CNC=C23)CC1 ZINC001280070203 1260989144 /nfs/dbraw/zinc/98/91/44/1260989144.db2.gz OPZXZHYKWWCANJ-IYBDPMFKSA-N 1 3 356.474 0.376 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280121211 1261009310 /nfs/dbraw/zinc/00/93/10/1261009310.db2.gz XCUOOFKWVQNWOU-HOTGVXAUSA-N 1 3 354.458 0.965 20 0 FCADHO Cn1cncc1N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280121211 1261009317 /nfs/dbraw/zinc/00/93/17/1261009317.db2.gz XCUOOFKWVQNWOU-HOTGVXAUSA-N 1 3 354.458 0.965 20 0 FCADHO Cc1nc(CNC(=O)C2=NO[C@@H]3CN(CC4CC[NH+](C)CC4)C[C@H]23)no1 ZINC001280126233 1261010441 /nfs/dbraw/zinc/01/04/41/1261010441.db2.gz UMRLCEFADAPRRK-UONOGXRCSA-N 1 3 362.434 0.023 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001289095849 1262102998 /nfs/dbraw/zinc/10/29/98/1262102998.db2.gz IXHCAPBOFKMVKS-NUJGCVRESA-N 1 3 368.522 0.137 20 0 FCADHO CON1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001477686945 1263099525 /nfs/dbraw/zinc/09/95/25/1263099525.db2.gz DFXAZVQVKQWNEA-UHFFFAOYSA-N 1 3 353.511 0.870 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001312142003 1263273560 /nfs/dbraw/zinc/27/35/60/1263273560.db2.gz VSVFVRFJWNHQFH-QGZVFWFLSA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312142003 1263273565 /nfs/dbraw/zinc/27/35/65/1263273565.db2.gz VSVFVRFJWNHQFH-QGZVFWFLSA-N 1 3 367.538 0.912 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@@H+]1C ZINC001580385839 1278204601 /nfs/dbraw/zinc/20/46/01/1278204601.db2.gz WPBTWZUNLJJIQS-XOKHGSTOSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@H+]1C ZINC001580385839 1278204618 /nfs/dbraw/zinc/20/46/18/1278204618.db2.gz WPBTWZUNLJJIQS-XOKHGSTOSA-N 1 3 369.473 0.897 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001318502028 1263582294 /nfs/dbraw/zinc/58/22/94/1263582294.db2.gz FKKSGIBWMZRZCN-DLBZAZTESA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC001325087846 1264771798 /nfs/dbraw/zinc/77/17/98/1264771798.db2.gz ZHAJLSOZJIJRFT-PXNSSMCTSA-N 1 3 360.502 0.785 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001513388125 1265085080 /nfs/dbraw/zinc/08/50/80/1265085080.db2.gz JWFIVKCDXSMEJU-OAGGEKHMSA-N 1 3 368.522 0.256 20 0 FCADHO CCC[NH+]1CCC(NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001327318471 1265284356 /nfs/dbraw/zinc/28/43/56/1265284356.db2.gz IAQTZBSUIZLYKA-UHFFFAOYSA-N 1 3 367.538 0.121 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC001327470232 1265332596 /nfs/dbraw/zinc/33/25/96/1265332596.db2.gz KWGOQXGPLWIRRV-KDURUIRLSA-N 1 3 357.502 0.795 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001334004950 1266774646 /nfs/dbraw/zinc/77/46/46/1266774646.db2.gz JZHKWAVORFKHRY-FZNQNYSPSA-N 1 3 350.438 0.569 20 0 FCADHO C[N@H+](CCCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC001334216001 1266892167 /nfs/dbraw/zinc/89/21/67/1266892167.db2.gz TUWZJSWGNKQXBJ-QGZVFWFLSA-N 1 3 366.506 0.347 20 0 FCADHO C[N@@H+](CCCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC001334216001 1266892182 /nfs/dbraw/zinc/89/21/82/1266892182.db2.gz TUWZJSWGNKQXBJ-QGZVFWFLSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001334313100 1266942306 /nfs/dbraw/zinc/94/23/06/1266942306.db2.gz FLXLWQUOLLQLSL-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001334313100 1266942314 /nfs/dbraw/zinc/94/23/14/1266942314.db2.gz FLXLWQUOLLQLSL-DJIMGWMZSA-N 1 3 366.506 0.155 20 0 FCADHO NC[C@@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114110 1267813703 /nfs/dbraw/zinc/81/37/03/1267813703.db2.gz BHFWGFNJDGYHAF-VQIMIIECSA-N 1 3 358.490 0.576 20 0 FCADHO NC[C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001549114110 1267813718 /nfs/dbraw/zinc/81/37/18/1267813718.db2.gz BHFWGFNJDGYHAF-VQIMIIECSA-N 1 3 358.490 0.576 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001550201838 1268090526 /nfs/dbraw/zinc/09/05/26/1268090526.db2.gz JGWFOFMROJKXTF-LSDHHAIUSA-N 1 3 354.470 0.657 20 0 FCADHO CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486174 1268127888 /nfs/dbraw/zinc/12/78/88/1268127888.db2.gz KENYMCKZBHEERW-LERJKICOSA-N 1 3 365.518 0.836 20 0 FCADHO CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)[C@@H]3CN4CCC[C@H]4CO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550486174 1268127891 /nfs/dbraw/zinc/12/78/91/1268127891.db2.gz KENYMCKZBHEERW-LERJKICOSA-N 1 3 365.518 0.836 20 0 FCADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912656 1268183863 /nfs/dbraw/zinc/18/38/63/1268183863.db2.gz JKSSPNXZNQRJNK-FVQSIRDASA-N 1 3 350.507 0.918 20 0 FCADHO C[N@@H+]1C[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229798 1268215375 /nfs/dbraw/zinc/21/53/75/1268215375.db2.gz RUTBSVIRKXDVAA-INDMIFKZSA-N 1 3 358.486 0.792 20 0 FCADHO C[N@H+]1C[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC001551229798 1268215383 /nfs/dbraw/zinc/21/53/83/1268215383.db2.gz RUTBSVIRKXDVAA-INDMIFKZSA-N 1 3 358.486 0.792 20 0 FCADHO CC1([NH+]2CCOCC2)CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC001551274933 1268219310 /nfs/dbraw/zinc/21/93/10/1268219310.db2.gz QPDYHUIFDMQOLR-UPTPFMHGSA-N 1 3 354.495 0.386 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551464161 1268256902 /nfs/dbraw/zinc/25/69/02/1268256902.db2.gz CADGOOJMOOGVLN-HZPDHXFCSA-N 1 3 354.495 0.555 20 0 FCADHO CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551505817 1268261797 /nfs/dbraw/zinc/26/17/97/1268261797.db2.gz XFXQPATZVAENDY-GARNVTTQSA-N 1 3 354.495 0.778 20 0 FCADHO CCN1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551573475 1268274186 /nfs/dbraw/zinc/27/41/86/1268274186.db2.gz WPEXEXJTEZOHMR-YQQAZPJKSA-N 1 3 351.495 0.417 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)CC2)nc1 ZINC001551591926 1268280961 /nfs/dbraw/zinc/28/09/61/1268280961.db2.gz PKNIYBSJWZEKGT-WUJZJPHMSA-N 1 3 358.490 0.855 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC001552100172 1268374601 /nfs/dbraw/zinc/37/46/01/1268374601.db2.gz UXIMSOMOHXXKSQ-GVDBMIGSSA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC001552100172 1268374609 /nfs/dbraw/zinc/37/46/09/1268374609.db2.gz UXIMSOMOHXXKSQ-GVDBMIGSSA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCN([C@@H]2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)CC1 ZINC001552793662 1268547538 /nfs/dbraw/zinc/54/75/38/1268547538.db2.gz DMGAZSVVBKHGRF-GOSISDBHSA-N 1 3 366.554 0.044 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC001552966525 1268570656 /nfs/dbraw/zinc/57/06/56/1268570656.db2.gz HVTOAHMXDQUKTM-LJQANCHMSA-N 1 3 364.534 0.724 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553405797 1268646163 /nfs/dbraw/zinc/64/61/63/1268646163.db2.gz DPHCKEKDUZJSEI-HSALFYBXSA-N 1 3 372.513 0.960 20 0 FCADHO [NH3+][C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507178 1268661471 /nfs/dbraw/zinc/66/14/71/1268661471.db2.gz JWZQVTDHUSLBPU-JKSUJKDBSA-N 1 3 352.479 0.389 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]C[C@@H]2F)CC1 ZINC001553546279 1268667102 /nfs/dbraw/zinc/66/71/02/1268667102.db2.gz GKJIUOAXJMXSOU-LSDHHAIUSA-N 1 3 369.485 0.592 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COC2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001341389857 1268968614 /nfs/dbraw/zinc/96/86/14/1268968614.db2.gz XKVJHUBRJNHIBN-ZIFCJYIRSA-N 1 3 355.523 0.501 20 0 FCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O)N(C)C ZINC001341522455 1269052244 /nfs/dbraw/zinc/05/22/44/1269052244.db2.gz PWMTXVZAHJPAPO-NUJGCVRESA-N 1 3 368.522 0.137 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001565464215 1269474776 /nfs/dbraw/zinc/47/47/76/1269474776.db2.gz ZGOHWTIOXSYZCD-UHFFFAOYSA-N 1 3 367.538 0.914 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC001565464215 1269474788 /nfs/dbraw/zinc/47/47/88/1269474788.db2.gz ZGOHWTIOXSYZCD-UHFFFAOYSA-N 1 3 367.538 0.914 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)N1CCCCCC1 ZINC001343675889 1269980704 /nfs/dbraw/zinc/98/07/04/1269980704.db2.gz YPLGOEMRJYSJCX-BBWFWOEESA-N 1 3 368.522 0.281 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1 ZINC001573067001 1270588574 /nfs/dbraw/zinc/58/85/74/1270588574.db2.gz LBVUZSGAPKHOHY-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574592737 1271391131 /nfs/dbraw/zinc/39/11/31/1271391131.db2.gz KMXGOHMQQSHUCH-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574592737 1271391136 /nfs/dbraw/zinc/39/11/36/1271391136.db2.gz KMXGOHMQQSHUCH-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596084 1271398017 /nfs/dbraw/zinc/39/80/17/1271398017.db2.gz HVTDGTFZHVVAGB-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574596084 1271398024 /nfs/dbraw/zinc/39/80/24/1271398024.db2.gz HVTDGTFZHVVAGB-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596084 1271398033 /nfs/dbraw/zinc/39/80/33/1271398033.db2.gz HVTDGTFZHVVAGB-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574596084 1271398037 /nfs/dbraw/zinc/39/80/37/1271398037.db2.gz HVTDGTFZHVVAGB-CZUORRHYSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574655141 1271454372 /nfs/dbraw/zinc/45/43/72/1271454372.db2.gz XSIOCHIZLHXLSK-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@@H](CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574655141 1271454375 /nfs/dbraw/zinc/45/43/75/1271454375.db2.gz XSIOCHIZLHXLSK-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575391180 1272038489 /nfs/dbraw/zinc/03/84/89/1272038489.db2.gz HBYFAROSWBTWTB-KBPBESRZSA-N 1 3 369.473 0.945 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(c3nnc(CC4CC4)n3CC[NH3+])C2)CC1 ZINC001575700576 1272322024 /nfs/dbraw/zinc/32/20/24/1272322024.db2.gz RJDALCFMDOLMPV-KRWDZBQOSA-N 1 3 361.538 0.794 20 0 FCADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CC[NH+](C)C ZINC001576024793 1272727165 /nfs/dbraw/zinc/72/71/65/1272727165.db2.gz PSZKWSOMUAVZHQ-UKRRQHHQSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CC[NH+](C)C ZINC001576024793 1272727171 /nfs/dbraw/zinc/72/71/71/1272727171.db2.gz PSZKWSOMUAVZHQ-UKRRQHHQSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CC[NH+](C)C ZINC001576024792 1272727253 /nfs/dbraw/zinc/72/72/53/1272727253.db2.gz PSZKWSOMUAVZHQ-HIFRSBDPSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CC[NH+](C)C ZINC001576024792 1272727259 /nfs/dbraw/zinc/72/72/59/1272727259.db2.gz PSZKWSOMUAVZHQ-HIFRSBDPSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576247417 1273025699 /nfs/dbraw/zinc/02/56/99/1273025699.db2.gz PGGDVALKDNIHMS-BBRMVZONSA-N 1 3 357.462 0.755 20 0 FCADHO O=C(NCc1cn(C2C[NH2+]C2)nn1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001580727693 1278817704 /nfs/dbraw/zinc/81/77/04/1278817704.db2.gz YRSOYUMVBRNTAW-OAHLLOKOSA-N 1 3 355.446 0.496 20 0 FCADHO CC[C@@H]([NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577139187 1274190168 /nfs/dbraw/zinc/19/01/68/1274190168.db2.gz SOWWXAQOFRAYJE-KGLIPLIRSA-N 1 3 363.510 0.887 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668840 1274694865 /nfs/dbraw/zinc/69/48/65/1274694865.db2.gz NPNMXXUHPWWOFY-BBRMVZONSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668840 1274694873 /nfs/dbraw/zinc/69/48/73/1274694873.db2.gz NPNMXXUHPWWOFY-BBRMVZONSA-N 1 3 372.477 0.783 20 0 FCADHO CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH3+])C[C@@H]1C ZINC001577759520 1274840599 /nfs/dbraw/zinc/84/05/99/1274840599.db2.gz GZBAQKLTONMWRY-RDBSUJKOSA-N 1 3 351.499 0.682 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001577871671 1275060302 /nfs/dbraw/zinc/06/03/02/1275060302.db2.gz NEYXPPUNCIXAAG-GASCZTMLSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001577871671 1275060314 /nfs/dbraw/zinc/06/03/14/1275060314.db2.gz NEYXPPUNCIXAAG-GASCZTMLSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001577871671 1275060321 /nfs/dbraw/zinc/06/03/21/1275060321.db2.gz NEYXPPUNCIXAAG-GASCZTMLSA-N 1 3 357.462 0.945 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001577871671 1275060327 /nfs/dbraw/zinc/06/03/27/1275060327.db2.gz NEYXPPUNCIXAAG-GASCZTMLSA-N 1 3 357.462 0.945 20 0 FCADHO CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@@H](C)C[NH2+]C ZINC001578315630 1275655266 /nfs/dbraw/zinc/65/52/66/1275655266.db2.gz VBFLAHHMIPHYHK-DLBZAZTESA-N 1 3 363.554 0.912 20 0 FCADHO CCc1nnc(N2CC[C@@H]([NH2+]C)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001578314869 1275655886 /nfs/dbraw/zinc/65/58/86/1275655886.db2.gz FGGMVNDDUNEXCT-DLBZAZTESA-N 1 3 363.554 0.912 20 0 FCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578529714 1275960776 /nfs/dbraw/zinc/96/07/76/1275960776.db2.gz YLQVBRYLCSUBQA-SOUVJXGZSA-N 1 3 350.463 0.550 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)[C@H](c2ccccc2)C1 ZINC001578533724 1275965027 /nfs/dbraw/zinc/96/50/27/1275965027.db2.gz VARBOEQAHJZERC-SVFBPWRDSA-N 1 3 372.513 0.717 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578974989 1276524930 /nfs/dbraw/zinc/52/49/30/1276524930.db2.gz ZSWAOBSEQYGWRP-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001578974989 1276524932 /nfs/dbraw/zinc/52/49/32/1276524932.db2.gz ZSWAOBSEQYGWRP-AWEZNQCLSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578975629 1276526560 /nfs/dbraw/zinc/52/65/60/1276526560.db2.gz CCRLXUZZJJNMHN-SFHVURJKSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001578975629 1276526562 /nfs/dbraw/zinc/52/65/62/1276526562.db2.gz CCRLXUZZJJNMHN-SFHVURJKSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C[C@H]1C[NH+](C)C ZINC001578992505 1276567280 /nfs/dbraw/zinc/56/72/80/1276567280.db2.gz XCUGLRWVHTWILJ-CHWSQXEVSA-N 1 3 363.491 0.740 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C[C@H]1C[NH+](C)C ZINC001578992505 1276567283 /nfs/dbraw/zinc/56/72/83/1276567283.db2.gz XCUGLRWVHTWILJ-CHWSQXEVSA-N 1 3 363.491 0.740 20 0 FCADHO COc1cccc(C[C@@H](N)C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC001579275514 1277080963 /nfs/dbraw/zinc/08/09/63/1277080963.db2.gz XIBAISZAXKLEBT-QGZVFWFLSA-N 1 3 358.442 0.927 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327376 1277155506 /nfs/dbraw/zinc/15/55/06/1277155506.db2.gz RLSRFIHDTBWSDC-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579327376 1277155509 /nfs/dbraw/zinc/15/55/09/1277155509.db2.gz RLSRFIHDTBWSDC-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327376 1277155511 /nfs/dbraw/zinc/15/55/11/1277155511.db2.gz RLSRFIHDTBWSDC-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579327376 1277155514 /nfs/dbraw/zinc/15/55/14/1277155514.db2.gz RLSRFIHDTBWSDC-DOTOQJQBSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579332049 1277162729 /nfs/dbraw/zinc/16/27/29/1277162729.db2.gz IERCHQKGRSVEOR-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579332049 1277162733 /nfs/dbraw/zinc/16/27/33/1277162733.db2.gz IERCHQKGRSVEOR-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579332049 1277162736 /nfs/dbraw/zinc/16/27/36/1277162736.db2.gz IERCHQKGRSVEOR-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579332049 1277162738 /nfs/dbraw/zinc/16/27/38/1277162738.db2.gz IERCHQKGRSVEOR-ARWYELJZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334005 1277170640 /nfs/dbraw/zinc/17/06/40/1277170640.db2.gz UJVGBQUHSPVUSV-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579334005 1277170645 /nfs/dbraw/zinc/17/06/45/1277170645.db2.gz UJVGBQUHSPVUSV-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334005 1277170647 /nfs/dbraw/zinc/17/06/47/1277170647.db2.gz UJVGBQUHSPVUSV-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579334005 1277170648 /nfs/dbraw/zinc/17/06/48/1277170648.db2.gz UJVGBQUHSPVUSV-NVXWUHKLSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339352 1277183342 /nfs/dbraw/zinc/18/33/42/1277183342.db2.gz GBOCUDNOWGEOMH-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579339352 1277183343 /nfs/dbraw/zinc/18/33/43/1277183343.db2.gz GBOCUDNOWGEOMH-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339352 1277183346 /nfs/dbraw/zinc/18/33/46/1277183346.db2.gz GBOCUDNOWGEOMH-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579339352 1277183349 /nfs/dbraw/zinc/18/33/49/1277183349.db2.gz GBOCUDNOWGEOMH-HRCADAONSA-N 1 3 355.446 0.555 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341392 1277189367 /nfs/dbraw/zinc/18/93/67/1277189367.db2.gz KARPDAZHJHECLY-HOCLYGCPSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341392 1277189368 /nfs/dbraw/zinc/18/93/68/1277189368.db2.gz KARPDAZHJHECLY-HOCLYGCPSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341392 1277189369 /nfs/dbraw/zinc/18/93/69/1277189369.db2.gz KARPDAZHJHECLY-HOCLYGCPSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341392 1277189371 /nfs/dbraw/zinc/18/93/71/1277189371.db2.gz KARPDAZHJHECLY-HOCLYGCPSA-N 1 3 369.473 0.899 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC001580258856 1278057099 /nfs/dbraw/zinc/05/70/99/1278057099.db2.gz ZWYUGYYIFJOFMK-LSDHHAIUSA-N 1 3 351.495 0.629 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001580272603 1278066429 /nfs/dbraw/zinc/06/64/29/1278066429.db2.gz GBSAOWDAZFYUJI-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001580272603 1278066441 /nfs/dbraw/zinc/06/64/41/1278066441.db2.gz GBSAOWDAZFYUJI-ZFWWWQNUSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001580273863 1278066893 /nfs/dbraw/zinc/06/68/93/1278066893.db2.gz DLZHHHSUPYWHNQ-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001580273863 1278066900 /nfs/dbraw/zinc/06/69/00/1278066900.db2.gz DLZHHHSUPYWHNQ-WOSRLPQWSA-N 1 3 357.462 0.801 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580279148 1278077783 /nfs/dbraw/zinc/07/77/83/1278077783.db2.gz MWXVFPJEZUGHKK-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580279148 1278077792 /nfs/dbraw/zinc/07/77/92/1278077792.db2.gz MWXVFPJEZUGHKK-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001580279148 1278077800 /nfs/dbraw/zinc/07/78/00/1278077800.db2.gz MWXVFPJEZUGHKK-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001580279148 1278077808 /nfs/dbraw/zinc/07/78/08/1278077808.db2.gz MWXVFPJEZUGHKK-DZGCQCFKSA-N 1 3 357.462 0.803 20 0 FCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@H](O)CC2(O)CCCCC2)C1 ZINC001580857870 1279053914 /nfs/dbraw/zinc/05/39/14/1279053914.db2.gz ADONYCHRAWAMCS-FPCVCCKLSA-N 1 3 353.463 0.300 20 0 FCADHO O=S(=O)(Cc1ccon1)NCCNCc1cccc2c1CC[NH2+]C2 ZINC001580865342 1279064975 /nfs/dbraw/zinc/06/49/75/1279064975.db2.gz BUSBFPNSBCILCE-UHFFFAOYSA-N 1 3 350.444 0.530 20 0 FCADHO Cc1cc(N[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991129 1279192823 /nfs/dbraw/zinc/19/28/23/1279192823.db2.gz LDAYBARKXMOBOX-CJNGLKHVSA-N 1 3 374.493 0.837 20 0 FCADHO Cc1cc(N[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580994957 1279203767 /nfs/dbraw/zinc/20/37/67/1279203767.db2.gz UMOAFDWZLONEGP-CYBMUJFWSA-N 1 3 372.477 0.783 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707853 1287332165 /nfs/dbraw/zinc/33/21/65/1287332165.db2.gz SQZXKCJFFJWLRZ-SQWLQELKSA-N 1 3 350.463 0.673 20 0 FCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707853 1287332167 /nfs/dbraw/zinc/33/21/67/1287332167.db2.gz SQZXKCJFFJWLRZ-SQWLQELKSA-N 1 3 350.463 0.673 20 0 FCADHO Cc1cc(NCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024973 1279256658 /nfs/dbraw/zinc/25/66/58/1279256658.db2.gz LXJKHKPWQHUOAW-LRDDRELGSA-N 1 3 374.493 0.885 20 0 FCADHO Cc1cc(NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581027804 1279263485 /nfs/dbraw/zinc/26/34/85/1279263485.db2.gz XUPBPGBBUHPKTL-OAHLLOKOSA-N 1 3 360.466 0.449 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717701175 1287432588 /nfs/dbraw/zinc/43/25/88/1287432588.db2.gz UWUKZINDRRGHOW-UMVBOHGHSA-N 1 3 367.494 0.094 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717701175 1287432598 /nfs/dbraw/zinc/43/25/98/1287432598.db2.gz UWUKZINDRRGHOW-UMVBOHGHSA-N 1 3 367.494 0.094 20 0 FCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC001590376732 1283509792 /nfs/dbraw/zinc/50/97/92/1283509792.db2.gz LNPCGXJPODPRIL-SNVBAGLBSA-N 1 3 363.470 0.847 20 0 FCADHO CN(CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1O)C1CCC1 ZINC001682504051 1283626893 /nfs/dbraw/zinc/62/68/93/1283626893.db2.gz XCKPXJXBGQKZCE-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO CN(CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1O)C1CCC1 ZINC001682504051 1283626908 /nfs/dbraw/zinc/62/69/08/1283626908.db2.gz XCKPXJXBGQKZCE-HZPDHXFCSA-N 1 3 368.522 0.137 20 0 FCADHO CN(CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001591078636 1284146101 /nfs/dbraw/zinc/14/61/01/1284146101.db2.gz PHWQZZOBGTXADT-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO CN(CCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C12CC[NH+](CC1)C2 ZINC001591078636 1284146105 /nfs/dbraw/zinc/14/61/05/1284146105.db2.gz PHWQZZOBGTXADT-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176718 1284269538 /nfs/dbraw/zinc/26/95/38/1284269538.db2.gz UCQCEAGGSAQTKG-FOSCPCJNSA-N 1 3 369.473 0.971 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001591176718 1284269556 /nfs/dbraw/zinc/26/95/56/1284269556.db2.gz UCQCEAGGSAQTKG-FOSCPCJNSA-N 1 3 369.473 0.971 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21)N(C)C ZINC001702412734 1285653096 /nfs/dbraw/zinc/65/30/96/1285653096.db2.gz MCIDUAIUBORODR-ZACQAIPSSA-N 1 3 364.534 0.974 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038323 1285922386 /nfs/dbraw/zinc/92/23/86/1285922386.db2.gz RYXJVJLESTZUPS-DOTOQJQBSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038323 1285922390 /nfs/dbraw/zinc/92/23/90/1285922390.db2.gz RYXJVJLESTZUPS-DOTOQJQBSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038323 1285922395 /nfs/dbraw/zinc/92/23/95/1285922395.db2.gz RYXJVJLESTZUPS-DOTOQJQBSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC[NH2+]1 ZINC001593038323 1285922400 /nfs/dbraw/zinc/92/24/00/1285922400.db2.gz RYXJVJLESTZUPS-DOTOQJQBSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037389 1285922857 /nfs/dbraw/zinc/92/28/57/1285922857.db2.gz DIQCOOXLQZKURD-PBHICJAKSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037389 1285922863 /nfs/dbraw/zinc/92/28/63/1285922863.db2.gz DIQCOOXLQZKURD-PBHICJAKSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037389 1285922870 /nfs/dbraw/zinc/92/28/70/1285922870.db2.gz DIQCOOXLQZKURD-PBHICJAKSA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC[NH2+]1 ZINC001593037389 1285922874 /nfs/dbraw/zinc/92/28/74/1285922874.db2.gz DIQCOOXLQZKURD-PBHICJAKSA-N 1 3 369.473 0.947 20 0 FCADHO C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)(N2CCOCC2)CC1 ZINC001609283454 1289046440 /nfs/dbraw/zinc/04/64/40/1289046440.db2.gz ZNTJYKWOWATGSX-UHFFFAOYSA-N 1 3 371.489 0.753 20 0 FCADHO C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)(N2CCOCC2)CC1 ZINC001609283454 1289046444 /nfs/dbraw/zinc/04/64/44/1289046444.db2.gz ZNTJYKWOWATGSX-UHFFFAOYSA-N 1 3 371.489 0.753 20 0 FCADHO C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284581 1289048163 /nfs/dbraw/zinc/04/81/63/1289048163.db2.gz UXILANTZKMGYKJ-GDBMZVCRSA-N 1 3 360.462 0.928 20 0 FCADHO C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284581 1289048171 /nfs/dbraw/zinc/04/81/71/1289048171.db2.gz UXILANTZKMGYKJ-GDBMZVCRSA-N 1 3 360.462 0.928 20 0 FCADHO O[C@@H](COc1ccccc1-c1nnn[n-]1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001593512340 1286189501 /nfs/dbraw/zinc/18/95/01/1286189501.db2.gz UVJYHFMWUWQQRH-JKSUJKDBSA-N 1 3 372.473 0.928 20 0 FCADHO O[C@@H](COc1ccccc1-c1nn[n-]n1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001593512340 1286189503 /nfs/dbraw/zinc/18/95/03/1286189503.db2.gz UVJYHFMWUWQQRH-JKSUJKDBSA-N 1 3 372.473 0.928 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCO[C@H](C)C3)CCC2)CC[N@@H+]1C ZINC001724786355 1288449895 /nfs/dbraw/zinc/44/98/95/1288449895.db2.gz PITCFPVGWUBIED-BZUAXINKSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCO[C@H](C)C3)CCC2)CC[N@H+]1C ZINC001724786355 1288449902 /nfs/dbraw/zinc/44/99/02/1288449902.db2.gz PITCFPVGWUBIED-BZUAXINKSA-N 1 3 366.506 0.202 20 0 FCADHO OC[C@H]([NH2+]Cc1cc(C[NH2+][C@@H](CO)C2CC2)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001607103076 1288663228 /nfs/dbraw/zinc/66/32/28/1288663228.db2.gz MOSCMWWXSPFBQV-ROUUACIJSA-N 1 3 372.473 0.588 20 0 FCADHO OC[C@H]([NH2+]Cc1cc(C[NH2+][C@@H](CO)C2CC2)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001607103076 1288663231 /nfs/dbraw/zinc/66/32/31/1288663231.db2.gz MOSCMWWXSPFBQV-ROUUACIJSA-N 1 3 372.473 0.588 20 0 FCADHO CC(=O)NCCOCCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699813644 1289566989 /nfs/dbraw/zinc/56/69/89/1289566989.db2.gz MUTYVNXCABSXTL-KYJSFNMBSA-N 1 3 354.495 0.060 20 0 FCADHO CC(=O)NCCOCCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699813644 1289566998 /nfs/dbraw/zinc/56/69/98/1289566998.db2.gz MUTYVNXCABSXTL-KYJSFNMBSA-N 1 3 354.495 0.060 20 0 FCADHO CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001689231820 1294688188 /nfs/dbraw/zinc/68/81/88/1294688188.db2.gz MGMUNWCGGIYVGA-RYRKJORJSA-N 1 3 364.490 0.766 20 0 FCADHO CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001689231820 1294688193 /nfs/dbraw/zinc/68/81/93/1294688193.db2.gz MGMUNWCGGIYVGA-RYRKJORJSA-N 1 3 364.490 0.766 20 0 FCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001690623785 1294877379 /nfs/dbraw/zinc/87/73/79/1294877379.db2.gz WPQNNKHLYIGDQR-NXHRZFHOSA-N 1 3 360.502 0.904 20 0 FCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001690623785 1294877387 /nfs/dbraw/zinc/87/73/87/1294877387.db2.gz WPQNNKHLYIGDQR-NXHRZFHOSA-N 1 3 360.502 0.904 20 0 FCADHO CN1CCN(c2ccc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nn2)CC1 ZINC001164927074 721850480 /nfs/dbraw/zinc/85/04/80/721850480.db2.gz JISDKOWVSBVPAE-IAGOWNOFSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927074 721850481 /nfs/dbraw/zinc/85/04/81/721850481.db2.gz JISDKOWVSBVPAE-IAGOWNOFSA-N 1 3 359.522 0.443 20 0 FCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(N2CCN(C)CC2)nn1 ZINC001164927074 721850483 /nfs/dbraw/zinc/85/04/83/721850483.db2.gz JISDKOWVSBVPAE-IAGOWNOFSA-N 1 3 359.522 0.443 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC001067536168 837465305 /nfs/dbraw/zinc/46/53/05/837465305.db2.gz OOJUDKVENDRDGF-GVDBMIGSSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC001067536168 837465307 /nfs/dbraw/zinc/46/53/07/837465307.db2.gz OOJUDKVENDRDGF-GVDBMIGSSA-N 1 3 352.523 0.975 20 0 FCADHO CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605335 837778107 /nfs/dbraw/zinc/77/81/07/837778107.db2.gz IHBWLSHXTZMQDZ-KSZLIROESA-N 1 3 353.507 0.960 20 0 FCADHO CCOC(=O)C[C@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397504818 836065495 /nfs/dbraw/zinc/06/54/95/836065495.db2.gz HZNHFFPZAFVFOU-KRWDZBQOSA-N 1 3 350.459 0.917 20 0 FCADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC1CCS(=O)(=O)CC1 ZINC000463194336 836075444 /nfs/dbraw/zinc/07/54/44/836075444.db2.gz YFGATKKJXDMQNP-KRWDZBQOSA-N 1 3 367.515 0.442 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267665 844126617 /nfs/dbraw/zinc/12/66/17/844126617.db2.gz ODPINDPSZTZQIE-AOIWGVFYSA-N 1 3 353.507 0.770 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267665 844126632 /nfs/dbraw/zinc/12/66/32/844126632.db2.gz ODPINDPSZTZQIE-AOIWGVFYSA-N 1 3 353.507 0.770 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443660 844187671 /nfs/dbraw/zinc/18/76/71/844187671.db2.gz NIYNLWCKUFKUPT-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001101443660 844187676 /nfs/dbraw/zinc/18/76/76/844187676.db2.gz NIYNLWCKUFKUPT-GJYPPUQNSA-N 1 3 350.507 0.729 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001077129224 838755303 /nfs/dbraw/zinc/75/53/03/838755303.db2.gz ZPRXWSIMNPIUAZ-FGTMMUONSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC001077129224 838755307 /nfs/dbraw/zinc/75/53/07/838755307.db2.gz ZPRXWSIMNPIUAZ-FGTMMUONSA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440926 838968035 /nfs/dbraw/zinc/96/80/35/838968035.db2.gz XYHAGHHJVXKEQG-KZNAEPCWSA-N 1 3 351.491 0.449 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440926 838968042 /nfs/dbraw/zinc/96/80/42/838968042.db2.gz XYHAGHHJVXKEQG-KZNAEPCWSA-N 1 3 351.491 0.449 20 0 FCADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102433722 844497079 /nfs/dbraw/zinc/49/70/79/844497079.db2.gz DKRVFNWDLYAHFG-DJIMGWMZSA-N 1 3 350.507 0.633 20 0 FCADHO Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559813 840464788 /nfs/dbraw/zinc/46/47/88/840464788.db2.gz PVMLUHSQHQFYQJ-WQVCFCJDSA-N 1 3 366.531 0.995 20 0 FCADHO CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1=O ZINC001082561636 840466345 /nfs/dbraw/zinc/46/63/45/840466345.db2.gz GQGGXPLETHIBMY-HYVNUMGLSA-N 1 3 350.507 0.917 20 0 FCADHO CC1(C)CO[C@@H](CN2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1 ZINC001083274822 840856542 /nfs/dbraw/zinc/85/65/42/840856542.db2.gz AZZIGPWKLJIKFJ-IXDOHACOSA-N 1 3 351.491 0.809 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195981 /nfs/dbraw/zinc/19/59/81/861195981.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 1 3 352.523 0.319 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195984 /nfs/dbraw/zinc/19/59/84/861195984.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 1 3 352.523 0.319 20 0 FCADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195986 /nfs/dbraw/zinc/19/59/86/861195986.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 1 3 352.523 0.319 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087059461 842254963 /nfs/dbraw/zinc/25/49/63/842254963.db2.gz HCWBJVWHUBEMKA-LZLYRXPVSA-N 1 3 353.507 0.960 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087059460 842255275 /nfs/dbraw/zinc/25/52/75/842255275.db2.gz HCWBJVWHUBEMKA-JFIYKMOQSA-N 1 3 353.507 0.960 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNCc1cnns1 ZINC001087080066 842274716 /nfs/dbraw/zinc/27/47/16/842274716.db2.gz SPRQDXMSDHNVCS-GDBMZVCRSA-N 1 3 367.519 0.833 20 0 FCADHO CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNCc1cnns1 ZINC001087096909 842286473 /nfs/dbraw/zinc/28/64/73/842286473.db2.gz KORYIHHCNMTULR-UKRRQHHQSA-N 1 3 365.503 0.587 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCN1CCNC1=O ZINC001087711957 842411362 /nfs/dbraw/zinc/41/13/62/842411362.db2.gz IBCFGOIEPMLOQJ-JKSUJKDBSA-N 1 3 351.495 0.323 20 0 FCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130190 842538474 /nfs/dbraw/zinc/53/84/74/842538474.db2.gz AEIILDJCFUNORX-IKGGRYGDSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975760 843131949 /nfs/dbraw/zinc/13/19/49/843131949.db2.gz WWHKOWKSWLWVMF-OGWOLHLISA-N 1 3 350.507 0.585 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975759 843132390 /nfs/dbraw/zinc/13/23/90/843132390.db2.gz WWHKOWKSWLWVMF-GMBSWORKSA-N 1 3 350.507 0.585 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302311 843182497 /nfs/dbraw/zinc/18/24/97/843182497.db2.gz YEQIDYQVMAHFDK-GJYPPUQNSA-N 1 3 350.507 0.907 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302312 843182619 /nfs/dbraw/zinc/18/26/19/843182619.db2.gz YEQIDYQVMAHFDK-MDZRGWNJSA-N 1 3 350.507 0.907 20 0 FCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092658457 843268748 /nfs/dbraw/zinc/26/87/48/843268748.db2.gz VWOQABCEGFPQLA-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001092658457 843268759 /nfs/dbraw/zinc/26/87/59/843268759.db2.gz VWOQABCEGFPQLA-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO COCCC[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276315815 861409141 /nfs/dbraw/zinc/40/91/41/861409141.db2.gz NICZKSFNHVSNAP-LJQANCHMSA-N 1 3 352.523 0.727 20 0 FCADHO COCCC[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276315815 861409153 /nfs/dbraw/zinc/40/91/53/861409153.db2.gz NICZKSFNHVSNAP-LJQANCHMSA-N 1 3 352.523 0.727 20 0 FCADHO COCCC[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276316146 861408768 /nfs/dbraw/zinc/40/87/68/861408768.db2.gz RSFHTZNOWAKUBW-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO COCCC[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276316146 861408776 /nfs/dbraw/zinc/40/87/76/861408776.db2.gz RSFHTZNOWAKUBW-IBGZPJMESA-N 1 3 352.523 0.585 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001093093391 843387419 /nfs/dbraw/zinc/38/74/19/843387419.db2.gz GAQPRTHWNGJLOB-NVXWUHKLSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093280273 843420151 /nfs/dbraw/zinc/42/01/51/843420151.db2.gz MRYJNRFULMOQEL-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)C2CCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093451295 843435305 /nfs/dbraw/zinc/43/53/05/843435305.db2.gz SNJDBZAYLIXDJI-PSBWJHGTSA-N 1 3 353.507 0.429 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093820873 843475512 /nfs/dbraw/zinc/47/55/12/843475512.db2.gz PMQZDXIMTAKUAB-OAGGEKHMSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CN(Cc2cnnn2C)C[C@H]1C)[NH+](C)C ZINC001103111628 844703085 /nfs/dbraw/zinc/70/30/85/844703085.db2.gz FKUXHSGEMNJKMY-INMHGKMJSA-N 1 3 350.511 0.976 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001103408527 844751771 /nfs/dbraw/zinc/75/17/71/844751771.db2.gz GMBZKGQULZVMED-BRWVUGGUSA-N 1 3 350.511 0.939 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001103408527 844751776 /nfs/dbraw/zinc/75/17/76/844751776.db2.gz GMBZKGQULZVMED-BRWVUGGUSA-N 1 3 350.511 0.939 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438669 844759352 /nfs/dbraw/zinc/75/93/52/844759352.db2.gz VTZDEXFLQUQRKO-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438669 844759358 /nfs/dbraw/zinc/75/93/58/844759358.db2.gz VTZDEXFLQUQRKO-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCCO ZINC001104433508 844911394 /nfs/dbraw/zinc/91/13/94/844911394.db2.gz HMLAHILRAKOMQZ-QCZOYZIOSA-N 1 3 351.491 0.306 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104682957 844932623 /nfs/dbraw/zinc/93/26/23/844932623.db2.gz DKLPVEDLVHSBJY-IAGOWNOFSA-N 1 3 355.523 0.801 20 0 FCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104681010 844932670 /nfs/dbraw/zinc/93/26/70/844932670.db2.gz BFPWGNCKPNHUAF-LBTNJELSSA-N 1 3 356.486 0.758 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104681008 844932860 /nfs/dbraw/zinc/93/28/60/844932860.db2.gz BFPWGNCKPNHUAF-HBUWYVDXSA-N 1 3 356.486 0.758 20 0 FCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)NC1CC1 ZINC001106255680 845144484 /nfs/dbraw/zinc/14/44/84/845144484.db2.gz DVDMTDWMYDLDKB-QLFBSQMISA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1)N(C)C ZINC001106281934 845147138 /nfs/dbraw/zinc/14/71/38/845147138.db2.gz LVJQPWMOLXRVIB-NUJGCVRESA-N 1 3 352.523 0.879 20 0 FCADHO Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705212 845229454 /nfs/dbraw/zinc/22/94/54/845229454.db2.gz WZXLJJKAEJJKIU-TZMCWYRMSA-N 1 3 363.487 0.868 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521015 845390262 /nfs/dbraw/zinc/39/02/62/845390262.db2.gz HETURQLCXQXDJH-CRAIPNDOSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111766943 846196194 /nfs/dbraw/zinc/19/61/94/846196194.db2.gz JLAQVQWONFHJKF-BQFCYCMXSA-N 1 3 359.486 0.646 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111766943 846196202 /nfs/dbraw/zinc/19/62/02/846196202.db2.gz JLAQVQWONFHJKF-BQFCYCMXSA-N 1 3 359.486 0.646 20 0 FCADHO CCCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984952 846282480 /nfs/dbraw/zinc/28/24/80/846282480.db2.gz WINPJOUMLZOBNJ-BXWFABGCSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CC1 ZINC001112154583 846422536 /nfs/dbraw/zinc/42/25/36/846422536.db2.gz SJVAJJMNIYSLOF-CHWSQXEVSA-N 1 3 367.412 0.316 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001112397043 846500971 /nfs/dbraw/zinc/50/09/71/846500971.db2.gz QEMSBIQDVSLZIF-RDJZCZTQSA-N 1 3 371.547 0.734 20 0 FCADHO CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001112399165 846500991 /nfs/dbraw/zinc/50/09/91/846500991.db2.gz FXKYBGBJTLYCLE-IEZWGBDMSA-N 1 3 350.507 0.633 20 0 FCADHO C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cnns2)C1 ZINC001112563618 846525220 /nfs/dbraw/zinc/52/52/20/846525220.db2.gz FEJRQCCCTOXFFS-YOEHRIQHSA-N 1 3 367.519 0.835 20 0 FCADHO C[C@H](CO)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276973551 861718538 /nfs/dbraw/zinc/71/85/38/861718538.db2.gz DWZHSGVAISMMTK-HKUYNNGSSA-N 1 3 352.523 0.177 20 0 FCADHO C[C@H](CO)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276973551 861718540 /nfs/dbraw/zinc/71/85/40/861718540.db2.gz DWZHSGVAISMMTK-HKUYNNGSSA-N 1 3 352.523 0.177 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001118147572 847296397 /nfs/dbraw/zinc/29/63/97/847296397.db2.gz HQZMIZBONUTTOW-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001118175873 847311058 /nfs/dbraw/zinc/31/10/58/847311058.db2.gz DXINFRYIDZGUBD-KRWDZBQOSA-N 1 3 366.531 0.934 20 0 FCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993646 848430690 /nfs/dbraw/zinc/43/06/90/848430690.db2.gz WYTPNWSFCSCYGI-TUUVXOQKSA-N 1 3 351.495 0.497 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccccc2F)CC[N@@H+]1C ZINC001127644117 848730879 /nfs/dbraw/zinc/73/08/79/848730879.db2.gz VLCCJUUGUIZTHI-UKRRQHHQSA-N 1 3 350.438 0.488 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccccc2F)CC[N@H+]1C ZINC001127644117 848730891 /nfs/dbraw/zinc/73/08/91/848730891.db2.gz VLCCJUUGUIZTHI-UKRRQHHQSA-N 1 3 350.438 0.488 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129896128 848910674 /nfs/dbraw/zinc/91/06/74/848910674.db2.gz RJBUAFFLNQGOMY-CVEARBPZSA-N 1 3 350.467 0.140 20 0 FCADHO CN(CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130011910 848930999 /nfs/dbraw/zinc/93/09/99/848930999.db2.gz DWTKPXKFVHXDPN-CABCVRRESA-N 1 3 354.474 0.957 20 0 FCADHO CC[C@H](C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1)OC ZINC001130137063 848950594 /nfs/dbraw/zinc/95/05/94/848950594.db2.gz HJRFQHHGISSGHU-OAGGEKHMSA-N 1 3 352.483 0.385 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[n-]1 ZINC001130238026 848984247 /nfs/dbraw/zinc/98/42/47/848984247.db2.gz POMLUZVDIIVTAA-IHRRRGAJSA-N 1 3 350.467 0.387 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[n-]1 ZINC001130238026 848984250 /nfs/dbraw/zinc/98/42/50/848984250.db2.gz POMLUZVDIIVTAA-IHRRRGAJSA-N 1 3 350.467 0.387 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H](C)OC)C1 ZINC001131115167 849080670 /nfs/dbraw/zinc/08/06/70/849080670.db2.gz AXATZJJDBWCGQM-BZUAXINKSA-N 1 3 351.495 0.681 20 0 FCADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)on1 ZINC001136542062 849226770 /nfs/dbraw/zinc/22/67/70/849226770.db2.gz VTEBBQANRWNCNS-CYBMUJFWSA-N 1 3 352.435 0.949 20 0 FCADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157593826 849983604 /nfs/dbraw/zinc/98/36/04/849983604.db2.gz YRMRDOCVWVYGRL-SFHVURJKSA-N 1 3 351.539 0.461 20 0 FCADHO CNS(=O)(=O)c1ccc(N2CCN(CC3CC[NH+](C)CC3)CC2)nc1 ZINC001157841639 849999862 /nfs/dbraw/zinc/99/98/62/849999862.db2.gz HTAUYRPCRXJRAE-UHFFFAOYSA-N 1 3 367.519 0.454 20 0 FCADHO C[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1F ZINC001157926310 850004830 /nfs/dbraw/zinc/00/48/30/850004830.db2.gz ORZGCOJHUGHEOD-SZOQZIPDSA-N 1 3 360.449 0.732 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158216271 850026698 /nfs/dbraw/zinc/02/66/98/850026698.db2.gz WKTLAFSRMNSURU-LXFSFDBISA-N 1 3 356.536 0.561 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241053 850027455 /nfs/dbraw/zinc/02/74/55/850027455.db2.gz QJGIIQXRBAKSQN-QWRGUYRKSA-N 1 3 351.369 0.942 20 0 FCADHO Cc1n[nH]c(C)c1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379791 850041624 /nfs/dbraw/zinc/04/16/24/850041624.db2.gz HXCUTICVLJRYCF-ZIAGYGMSSA-N 1 3 350.467 0.401 20 0 FCADHO Cc1n[nH]c(C)c1NC(=O)CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158379791 850041629 /nfs/dbraw/zinc/04/16/29/850041629.db2.gz HXCUTICVLJRYCF-ZIAGYGMSSA-N 1 3 350.467 0.401 20 0 FCADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)C1(N)CC(F)C1)C2 ZINC001158383420 850043417 /nfs/dbraw/zinc/04/34/17/850043417.db2.gz PIJYBXHDPKADKC-NOAYXOLRSA-N 1 3 367.343 0.359 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158420883 850049283 /nfs/dbraw/zinc/04/92/83/850049283.db2.gz ACHNWVAYPVZNMJ-ZQNQSHIBSA-N 1 3 356.536 0.561 20 0 FCADHO CN1CCC(N(c2cc(S(N)(=O)=O)ccn2)C2CC[NH2+]CC2)CC1 ZINC001158589463 850061619 /nfs/dbraw/zinc/06/16/19/850061619.db2.gz RLMWEQIUWLNWAR-UHFFFAOYSA-N 1 3 353.492 0.382 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201270 850159007 /nfs/dbraw/zinc/15/90/07/850159007.db2.gz FLGMUSMVZHJNBO-HOTGVXAUSA-N 1 3 350.507 0.988 20 0 FCADHO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)cc1 ZINC001160436878 850172489 /nfs/dbraw/zinc/17/24/89/850172489.db2.gz NRCKRMYNJNQRGE-INIZCTEOSA-N 1 3 368.503 0.284 20 0 FCADHO COCCN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C1CCN(C)CC1 ZINC001160441730 850174078 /nfs/dbraw/zinc/17/40/78/850174078.db2.gz WZQCUMSOSCMVJX-SJLPKXTDSA-N 1 3 352.523 0.630 20 0 FCADHO CCOC(=O)CN(Cc1ccsc1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160770816 850197140 /nfs/dbraw/zinc/19/71/40/850197140.db2.gz WQURXAIMHPHUKQ-RHSMWYFYSA-N 1 3 351.472 0.839 20 0 FCADHO N[C@@H](C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1)C1CC[NH2+]CC1 ZINC001160915685 850213383 /nfs/dbraw/zinc/21/33/83/850213383.db2.gz JLJUHGDTFDGXKM-OAHLLOKOSA-N 1 3 353.854 0.827 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010964 850220211 /nfs/dbraw/zinc/22/02/11/850220211.db2.gz OPQXMDMGRWNWKI-ZDUSSCGKSA-N 1 3 350.444 0.089 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001161248335 850242786 /nfs/dbraw/zinc/24/27/86/850242786.db2.gz YBSJJCFBBZEIDI-HNNXBMFYSA-N 1 3 365.503 0.818 20 0 FCADHO CCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001161264203 850244159 /nfs/dbraw/zinc/24/41/59/850244159.db2.gz KUHSQZYKULRFNW-HNNXBMFYSA-N 1 3 362.540 0.412 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1)CC2 ZINC001161481105 850261751 /nfs/dbraw/zinc/26/17/51/850261751.db2.gz WIVDASMLCXTUQD-BLTAXRJOSA-N 1 3 363.380 0.671 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1)CC2 ZINC001161481110 850263437 /nfs/dbraw/zinc/26/34/37/850263437.db2.gz WIVDASMLCXTUQD-YFCNSXCBSA-N 1 3 363.380 0.671 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161511480 850265828 /nfs/dbraw/zinc/26/58/28/850265828.db2.gz ZUGZCXCXGAGXHY-LSDHHAIUSA-N 1 3 351.472 0.442 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511148 850266289 /nfs/dbraw/zinc/26/62/89/850266289.db2.gz XHIPAELYBNTREY-SOUVJXGZSA-N 1 3 354.495 0.077 20 0 FCADHO CO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[C@H](C)C1 ZINC001161534735 850269972 /nfs/dbraw/zinc/26/99/72/850269972.db2.gz REBWOVOJAHXSHH-WCVJEAGWSA-N 1 3 354.495 0.460 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601871 850273640 /nfs/dbraw/zinc/27/36/40/850273640.db2.gz MRFYJJIWBKKAPF-HRCADAONSA-N 1 3 354.470 0.132 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601871 850273647 /nfs/dbraw/zinc/27/36/47/850273647.db2.gz MRFYJJIWBKKAPF-HRCADAONSA-N 1 3 354.470 0.132 20 0 FCADHO Clc1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c2c(n1)CNCC2 ZINC001165345104 850436119 /nfs/dbraw/zinc/43/61/19/850436119.db2.gz IAGVAVGYZGDPGT-QGZVFWFLSA-N 1 3 352.866 0.966 20 0 FCADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730985 850921412 /nfs/dbraw/zinc/92/14/12/850921412.db2.gz IRDZXDFPGYFISA-QXSJWSMHSA-N 1 3 354.495 0.058 20 0 FCADHO COCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730985 850921423 /nfs/dbraw/zinc/92/14/23/850921423.db2.gz IRDZXDFPGYFISA-QXSJWSMHSA-N 1 3 354.495 0.058 20 0 FCADHO COCCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931631 851734740 /nfs/dbraw/zinc/73/47/40/851734740.db2.gz HPUDVIUUNGVPIS-XLAORIBOSA-N 1 3 353.507 0.912 20 0 FCADHO COCCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931631 851734745 /nfs/dbraw/zinc/73/47/45/851734745.db2.gz HPUDVIUUNGVPIS-XLAORIBOSA-N 1 3 353.507 0.912 20 0 FCADHO CC(C)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001278423667 862323921 /nfs/dbraw/zinc/32/39/21/862323921.db2.gz WCJLXJYSEOQERE-HZPDHXFCSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1)OC ZINC001194290247 852573192 /nfs/dbraw/zinc/57/31/92/852573192.db2.gz SHZGAXWXCGSGFO-GVDBMIGSSA-N 1 3 350.463 0.494 20 0 FCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001194298341 852574217 /nfs/dbraw/zinc/57/42/17/852574217.db2.gz DTNDMEMYHGJSJX-USXIJHARSA-N 1 3 353.507 0.837 20 0 FCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001194298341 852574222 /nfs/dbraw/zinc/57/42/22/852574222.db2.gz DTNDMEMYHGJSJX-USXIJHARSA-N 1 3 353.507 0.837 20 0 FCADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1ccnc(S(C)(=O)=O)c1 ZINC001194686022 852630808 /nfs/dbraw/zinc/63/08/08/852630808.db2.gz ZLBBKFUTIGOISA-UHFFFAOYSA-N 1 3 370.519 0.831 20 0 FCADHO CCOC(=O)CS(=O)(=O)N(CCN(CC)CC)CC[NH+](CC)CC ZINC001195959263 852854941 /nfs/dbraw/zinc/85/49/41/852854941.db2.gz GBTZUDCTTTUMIY-UHFFFAOYSA-N 1 3 365.540 0.865 20 0 FCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001199370010 853413274 /nfs/dbraw/zinc/41/32/74/853413274.db2.gz GXUMJDQEFPTIMN-KZNAEPCWSA-N 1 3 353.507 0.983 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@@H]1CCCCO1)CC2 ZINC001207954487 853876527 /nfs/dbraw/zinc/87/65/27/853876527.db2.gz JDDLBFLNVQUQBX-KRWDZBQOSA-N 1 3 352.523 0.726 20 0 FCADHO CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036193 853884874 /nfs/dbraw/zinc/88/48/74/853884874.db2.gz ASJPFRYFNSMSBG-QCZOYZIOSA-N 1 3 351.491 0.713 20 0 FCADHO CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036193 853884879 /nfs/dbraw/zinc/88/48/79/853884879.db2.gz ASJPFRYFNSMSBG-QCZOYZIOSA-N 1 3 351.491 0.713 20 0 FCADHO CC(C)COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434952 853933287 /nfs/dbraw/zinc/93/32/87/853933287.db2.gz LAKZOAIIUHERRT-BRWVUGGUSA-N 1 3 355.523 0.798 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](C[C@H]3CCCN(C)C3)CC[C@@H]2C1 ZINC001208616408 853960792 /nfs/dbraw/zinc/96/07/92/853960792.db2.gz ZBSFNWGAZBTLPK-RCCFBDPRSA-N 1 3 352.523 0.439 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](C[C@H]3CCCN(C)C3)CC[C@@H]2C1 ZINC001208616408 853960793 /nfs/dbraw/zinc/96/07/93/853960793.db2.gz ZBSFNWGAZBTLPK-RCCFBDPRSA-N 1 3 352.523 0.439 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@H]1CCC=CO1)CC2 ZINC001208885673 853980060 /nfs/dbraw/zinc/98/00/60/853980060.db2.gz VWXSDILHWVIFRR-QGZVFWFLSA-N 1 3 350.507 0.849 20 0 FCADHO C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330242 854101740 /nfs/dbraw/zinc/10/17/40/854101740.db2.gz TXVQMRXSPGPVGL-BRWVUGGUSA-N 1 3 351.491 0.714 20 0 FCADHO CCO[C@H](CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342093 854581212 /nfs/dbraw/zinc/58/12/12/854581212.db2.gz GTHVKDNTDOWBIO-BRWVUGGUSA-N 1 3 353.507 0.959 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001214757203 855003485 /nfs/dbraw/zinc/00/34/85/855003485.db2.gz DWCHJLMFACBJQV-HZSPNIEDSA-N 1 3 351.488 0.147 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001214904761 855031002 /nfs/dbraw/zinc/03/10/02/855031002.db2.gz IKWCUEFUIMOBTR-BZPMIXESSA-N 1 3 366.428 0.688 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001215225954 855084792 /nfs/dbraw/zinc/08/47/92/855084792.db2.gz AIMFOQDNERGGCG-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215388485 855107822 /nfs/dbraw/zinc/10/78/22/855107822.db2.gz FWNPWICQBMLSDM-OIISXLGYSA-N 1 3 350.507 0.966 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215388485 855107827 /nfs/dbraw/zinc/10/78/27/855107827.db2.gz FWNPWICQBMLSDM-OIISXLGYSA-N 1 3 350.507 0.966 20 0 FCADHO CCOCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458985 855117092 /nfs/dbraw/zinc/11/70/92/855117092.db2.gz SGNAAYZKBRSBJS-OWCLPIDISA-N 1 3 356.511 0.306 20 0 FCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001215453879 855117112 /nfs/dbraw/zinc/11/71/12/855117112.db2.gz WWUBGEQRUVUZJW-RHSMWYFYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215453555 855117384 /nfs/dbraw/zinc/11/73/84/855117384.db2.gz IETFIMVDQLHLQL-RHSMWYFYSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541357 855127486 /nfs/dbraw/zinc/12/74/86/855127486.db2.gz ZARLDFRVWRBRBW-BZUAXINKSA-N 1 3 353.511 0.472 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1)N(C)C ZINC001215571338 855129110 /nfs/dbraw/zinc/12/91/10/855129110.db2.gz LGSRPDUSJKXFMB-KFWWJZLASA-N 1 3 355.527 0.861 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215564004 855129114 /nfs/dbraw/zinc/12/91/14/855129114.db2.gz WYRRBSNYMVYFJF-GDBMZVCRSA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216001617 855163866 /nfs/dbraw/zinc/16/38/66/855163866.db2.gz GDKGGOONNDIHLT-HZPDHXFCSA-N 1 3 361.552 0.978 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216002313 855164058 /nfs/dbraw/zinc/16/40/58/855164058.db2.gz RCVQMLIYCMKYSO-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216500049 855208425 /nfs/dbraw/zinc/20/84/25/855208425.db2.gz XBMNJBHLXCOJBV-VXGBXAGGSA-N 1 3 352.401 0.443 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[NH2+]C[C@H]1C ZINC001217988383 855389905 /nfs/dbraw/zinc/38/99/05/855389905.db2.gz OIMSTTGKSALWFB-GHMZBOCLSA-N 1 3 352.435 0.528 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC001218249854 855409493 /nfs/dbraw/zinc/40/94/93/855409493.db2.gz ZYFMIDGABXMQOW-GMTAPVOTSA-N 1 3 350.419 0.280 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[C@H]2[NH2+]CC[C@H]2C1 ZINC001218249856 855409506 /nfs/dbraw/zinc/40/95/06/855409506.db2.gz ZYFMIDGABXMQOW-HBNTYKKESA-N 1 3 350.419 0.280 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)nn1 ZINC001218509801 855432517 /nfs/dbraw/zinc/43/25/17/855432517.db2.gz YDXKJMVVYXETIF-QWRGUYRKSA-N 1 3 354.842 0.516 20 0 FCADHO Cc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nc(C)c1Br ZINC001218514877 855433509 /nfs/dbraw/zinc/43/35/09/855433509.db2.gz XNRLLRKNARPUCH-QMTHXVAHSA-N 1 3 354.252 0.994 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)COC1(C)C ZINC001218535627 855436142 /nfs/dbraw/zinc/43/61/42/855436142.db2.gz YXSCRBNOUIVNCT-QXEWZRGKSA-N 1 3 367.475 0.208 20 0 FCADHO N[C@@H](C(=O)Nc1ncnc2[nH]cc(Br)c21)C1CC[NH2+]CC1 ZINC001218616451 855450835 /nfs/dbraw/zinc/45/08/35/855450835.db2.gz UMGDCYFFYBTROR-SNVBAGLBSA-N 1 3 353.224 0.986 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)c[nH]c1=O ZINC001218642813 855456415 /nfs/dbraw/zinc/45/64/15/855456415.db2.gz MGYMETQDETUBRC-AAEUAGOBSA-N 1 3 369.853 0.826 20 0 FCADHO CCOC(=O)c1sc(NC(=O)[C@H]2C[NH2+]CC23CNC3)nc1C1CC1 ZINC001218805594 855481381 /nfs/dbraw/zinc/48/13/81/855481381.db2.gz ZBFWZPHHVFIHFS-SNVBAGLBSA-N 1 3 350.444 0.945 20 0 FCADHO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001218885169 855491232 /nfs/dbraw/zinc/49/12/32/855491232.db2.gz GEPPQHCIMWLELN-ZDUSSCGKSA-N 1 3 372.491 0.730 20 0 FCADHO CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218893733 855492734 /nfs/dbraw/zinc/49/27/34/855492734.db2.gz FJCPTKOYNLLDLH-MLGOLLRUSA-N 1 3 352.460 0.075 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N[C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001219580714 855721400 /nfs/dbraw/zinc/72/14/00/855721400.db2.gz QSWYKGAQNBQFKL-YNEHKIRRSA-N 1 3 360.252 0.026 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650587 855755950 /nfs/dbraw/zinc/75/59/50/855755950.db2.gz PPVSXWIWVRHPRU-QXKUPLGCSA-N 1 3 372.579 0.960 20 0 FCADHO N[C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccc(Br)cc1 ZINC001219764751 855802721 /nfs/dbraw/zinc/80/27/21/855802721.db2.gz KZRYKRJNESLIRJ-BYCMXARLSA-N 1 3 367.291 0.859 20 0 FCADHO N[C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccc(Br)cc1 ZINC001219764751 855802729 /nfs/dbraw/zinc/80/27/29/855802729.db2.gz KZRYKRJNESLIRJ-BYCMXARLSA-N 1 3 367.291 0.859 20 0 FCADHO N[C@@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccc(Br)cc1 ZINC001219764751 855802737 /nfs/dbraw/zinc/80/27/37/855802737.db2.gz KZRYKRJNESLIRJ-BYCMXARLSA-N 1 3 367.291 0.859 20 0 FCADHO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1csc2c1CCNC2 ZINC001219844739 855843652 /nfs/dbraw/zinc/84/36/52/855843652.db2.gz QKLONFNMJQDXRU-SJCJKPOMSA-N 1 3 351.472 0.519 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]2O)CCCC1 ZINC001220077888 855948478 /nfs/dbraw/zinc/94/84/78/855948478.db2.gz AHUFKNOGIUVNOQ-BBWFWOEESA-N 1 3 353.507 0.839 20 0 FCADHO CCS(=O)(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001220489900 856152157 /nfs/dbraw/zinc/15/21/57/856152157.db2.gz LEAQEWGCCWUVSD-RHSMWYFYSA-N 1 3 351.472 0.296 20 0 FCADHO N=C(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(Br)cc1F ZINC001220511397 856161352 /nfs/dbraw/zinc/16/13/52/856161352.db2.gz WBDODKYNRAYPLK-SNVBAGLBSA-N 1 3 355.211 0.839 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccccc1OC1CCOCC1 ZINC001220666501 856231742 /nfs/dbraw/zinc/23/17/42/856231742.db2.gz ZJQGERZCENAGHL-HNNXBMFYSA-N 1 3 353.488 0.880 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001220681303 856238674 /nfs/dbraw/zinc/23/86/74/856238674.db2.gz HKBAXQXZLOUZLL-OLZOCXBDSA-N 1 3 355.401 0.459 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1O ZINC001220681303 856238681 /nfs/dbraw/zinc/23/86/81/856238681.db2.gz HKBAXQXZLOUZLL-OLZOCXBDSA-N 1 3 355.401 0.459 20 0 FCADHO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220799830 856306537 /nfs/dbraw/zinc/30/65/37/856306537.db2.gz HKHDZLNHYLASCK-LSDHHAIUSA-N 1 3 365.861 0.739 20 0 FCADHO N[C@H](C(=O)n1cc(Br)ccc1=NCC[NH3+])C1CCC(O)CC1 ZINC001220870682 856350289 /nfs/dbraw/zinc/35/02/89/856350289.db2.gz OGHXPVBSAUKXCT-OVGLSYRBSA-N 1 3 371.279 0.629 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220936558 856385003 /nfs/dbraw/zinc/38/50/03/856385003.db2.gz HEZPDZGKACNZDM-CVEARBPZSA-N 1 3 353.488 0.750 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)NCC1(Cc2ccncc2)CCOCC1 ZINC001220998823 856415729 /nfs/dbraw/zinc/41/57/29/856415729.db2.gz BZFAAWQZEYGGAU-HNNXBMFYSA-N 1 3 352.504 0.556 20 0 FCADHO N[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001221004020 856417967 /nfs/dbraw/zinc/41/79/67/856417967.db2.gz IXUMCYGQCVAGEU-VGWMRTNUSA-N 1 3 352.479 0.036 20 0 FCADHO COc1ccccc1[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1nnc(C)o1 ZINC001221335379 856551281 /nfs/dbraw/zinc/55/12/81/856551281.db2.gz FHVWOAHLCQMTQA-GXTWGEPZSA-N 1 3 365.459 0.611 20 0 FCADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001221338609 856552786 /nfs/dbraw/zinc/55/27/86/856552786.db2.gz YRFDATNZUXJCHS-JKSUJKDBSA-N 1 3 350.463 0.778 20 0 FCADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221359039 856554396 /nfs/dbraw/zinc/55/43/96/856554396.db2.gz ZWVVZWUIHPAPLI-CVEARBPZSA-N 1 3 352.523 0.724 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407867 856560150 /nfs/dbraw/zinc/56/01/50/856560150.db2.gz FFUDXPCSXUVKOY-BARDWOONSA-N 1 3 354.495 0.532 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407867 856560155 /nfs/dbraw/zinc/56/01/55/856560155.db2.gz FFUDXPCSXUVKOY-BARDWOONSA-N 1 3 354.495 0.532 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCOCCNC(C)=O)C[C@H]21 ZINC001221920622 856734771 /nfs/dbraw/zinc/73/47/71/856734771.db2.gz OJECBCOZZUZXJH-IAGOWNOFSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCOCCNC(C)=O)C[C@H]21 ZINC001221920622 856734772 /nfs/dbraw/zinc/73/47/72/856734772.db2.gz OJECBCOZZUZXJH-IAGOWNOFSA-N 1 3 354.495 0.014 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089231 856798834 /nfs/dbraw/zinc/79/88/34/856798834.db2.gz FGKLFYVDUVKAGQ-FGTMMUONSA-N 1 3 353.507 0.793 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3CS(=O)(=O)C3)CC2)CC1 ZINC001225640077 857052050 /nfs/dbraw/zinc/05/20/50/857052050.db2.gz OFXPEKIIPYICQH-UHFFFAOYSA-N 1 3 372.535 0.279 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226563952 857109978 /nfs/dbraw/zinc/10/99/78/857109978.db2.gz GBFBUBBXCYGGNK-RBSFLKMASA-N 1 3 365.515 0.728 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001226782444 857125794 /nfs/dbraw/zinc/12/57/94/857125794.db2.gz NCHVFAFTHPSZAX-ARFHVFGLSA-N 1 3 371.547 0.922 20 0 FCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCOC)N(C)C ZINC001227056235 857138612 /nfs/dbraw/zinc/13/86/12/857138612.db2.gz CIIONBPNYSNRJE-BZUAXINKSA-N 1 3 356.511 0.496 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001227150170 857146188 /nfs/dbraw/zinc/14/61/88/857146188.db2.gz LLTJPRKSSJVEKN-MCIONIFRSA-N 1 3 352.479 0.539 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001228365758 857206596 /nfs/dbraw/zinc/20/65/96/857206596.db2.gz ITXFUAKRMPRCIH-ARFHVFGLSA-N 1 3 354.495 0.250 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229231634 857259988 /nfs/dbraw/zinc/25/99/88/857259988.db2.gz RWYRGOYENUPSQR-ZIAGYGMSSA-N 1 3 355.483 0.191 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001230284504 857322804 /nfs/dbraw/zinc/32/28/04/857322804.db2.gz ILEQJPKNIKSOLQ-HUUCEWRRSA-N 1 3 362.540 0.235 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc2c(c1)OCCO2 ZINC001238239586 857464824 /nfs/dbraw/zinc/46/48/24/857464824.db2.gz DVYBEKIEPAKNOV-ZDUSSCGKSA-N 1 3 367.471 0.610 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc2c(c1)OCCO2 ZINC001238239586 857464829 /nfs/dbraw/zinc/46/48/29/857464829.db2.gz DVYBEKIEPAKNOV-ZDUSSCGKSA-N 1 3 367.471 0.610 20 0 FCADHO COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238242143 857465055 /nfs/dbraw/zinc/46/50/55/857465055.db2.gz MRKPSNXLZVKEHJ-AWEZNQCLSA-N 1 3 367.471 0.626 20 0 FCADHO COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238242143 857465060 /nfs/dbraw/zinc/46/50/60/857465060.db2.gz MRKPSNXLZVKEHJ-AWEZNQCLSA-N 1 3 367.471 0.626 20 0 FCADHO NCCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001239076763 857506164 /nfs/dbraw/zinc/50/61/64/857506164.db2.gz GALMVSCVCFPTSF-ZWKOTPCHSA-N 1 3 371.547 0.735 20 0 FCADHO NCCS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001239076763 857506167 /nfs/dbraw/zinc/50/61/67/857506167.db2.gz GALMVSCVCFPTSF-ZWKOTPCHSA-N 1 3 371.547 0.735 20 0 FCADHO CCOC(=O)[C@H](CCSC)NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239218222 857524249 /nfs/dbraw/zinc/52/42/49/857524249.db2.gz XEYYKVPVKBJHFX-KGLIPLIRSA-N 1 3 372.535 0.845 20 0 FCADHO CCOC(=O)[C@]12CN(C(=S)NCCN3CCCCC3)C[C@H]1C[NH2+]CC2 ZINC001239444393 857528411 /nfs/dbraw/zinc/52/84/11/857528411.db2.gz RGNROQFKPNEARC-CRAIPNDOSA-N 1 3 368.547 0.821 20 0 FCADHO CCOC(=O)[C@]12C[N@H+](C[C@H](O)COCc3ccco3)C[C@H]1CNCC2 ZINC001246048637 857566118 /nfs/dbraw/zinc/56/61/18/857566118.db2.gz ZBRKWVPWSFJVOF-RVKKMQEKSA-N 1 3 352.431 0.632 20 0 FCADHO CCOC(=O)[C@]12C[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]1CNCC2 ZINC001246048637 857566130 /nfs/dbraw/zinc/56/61/30/857566130.db2.gz ZBRKWVPWSFJVOF-RVKKMQEKSA-N 1 3 352.431 0.632 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740856 857595491 /nfs/dbraw/zinc/59/54/91/857595491.db2.gz HXRJRSUQPCJFIY-AJNGGQMLSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)CN1 ZINC001246740856 857595499 /nfs/dbraw/zinc/59/54/99/857595499.db2.gz HXRJRSUQPCJFIY-AJNGGQMLSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CN1 ZINC001246740856 857595507 /nfs/dbraw/zinc/59/55/07/857595507.db2.gz HXRJRSUQPCJFIY-AJNGGQMLSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CN1 ZINC001246740856 857595512 /nfs/dbraw/zinc/59/55/12/857595512.db2.gz HXRJRSUQPCJFIY-AJNGGQMLSA-N 1 3 350.488 0.943 20 0 FCADHO COC(=O)[C@@H](N)[C@@H]1CCCN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C1 ZINC001246926499 857606773 /nfs/dbraw/zinc/60/67/73/857606773.db2.gz TXZJNIJBIVRUQP-MQPNKABOSA-N 1 3 353.463 0.271 20 0 FCADHO COCCN1CCOC[C@]2(CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253388276 857884027 /nfs/dbraw/zinc/88/40/27/857884027.db2.gz DXMVZLNINNXHGH-IEBWSBKVSA-N 1 3 357.539 0.796 20 0 FCADHO COC(=O)[C@H](C[NH3+])CN[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254803433 857986575 /nfs/dbraw/zinc/98/65/75/857986575.db2.gz BELBVWYUSVLBRZ-CHWSQXEVSA-N 1 3 357.451 0.492 20 0 FCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001262614822 859018871 /nfs/dbraw/zinc/01/88/71/859018871.db2.gz RGDOZOWPDQRLEG-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001262614822 859018875 /nfs/dbraw/zinc/01/88/75/859018875.db2.gz RGDOZOWPDQRLEG-DLBZAZTESA-N 1 3 350.507 0.872 20 0 FCADHO N[C@@H](CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2)Cc1cc(F)c(F)cc1F ZINC001263172980 859116380 /nfs/dbraw/zinc/11/63/80/859116380.db2.gz MKXSSWULDBLNDL-HWPZZCPQSA-N 1 3 356.348 0.359 20 0 FCADHO C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNCC(=O)NC2CC2)C1 ZINC001264000627 859276794 /nfs/dbraw/zinc/27/67/94/859276794.db2.gz XZRDYLFMPAUEQS-ZBFHGGJFSA-N 1 3 350.507 0.824 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652522 859985882 /nfs/dbraw/zinc/98/58/82/859985882.db2.gz NLGFXOIYCZSHKH-LPHOPBHVSA-N 1 3 350.507 0.873 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@]23CCN(CCN(C)C)C3=O)C1 ZINC001271652522 859985887 /nfs/dbraw/zinc/98/58/87/859985887.db2.gz NLGFXOIYCZSHKH-LPHOPBHVSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001272834659 860276565 /nfs/dbraw/zinc/27/65/65/860276565.db2.gz YZTWAHFIKAYSHR-LJQANCHMSA-N 1 3 350.507 0.875 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](C)C3)C[C@H]2CC1 ZINC001273834982 860614395 /nfs/dbraw/zinc/61/43/95/860614395.db2.gz JVBOLWHEHGAZEH-IXDOHACOSA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C[C@H]2CC1 ZINC001273834982 860614401 /nfs/dbraw/zinc/61/44/01/860614401.db2.gz JVBOLWHEHGAZEH-IXDOHACOSA-N 1 3 350.507 0.587 20 0 FCADHO CN(C)CCN1C[C@@]2(F)CN(CCC[NH+]3CCCCC3)C[C@@]2(F)C1=O ZINC001275342840 861038712 /nfs/dbraw/zinc/03/87/12/861038712.db2.gz GCVQEKDJJBTFQZ-ZWKOTPCHSA-N 1 3 358.477 0.998 20 0 FCADHO C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3CN(C[C@@H]4CCOC4)C[C@H]23)CC1 ZINC001279891647 863118296 /nfs/dbraw/zinc/11/82/96/863118296.db2.gz DVFHFECPLOBDNH-CWRNSKLLSA-N 1 3 350.463 0.262 20 0 FCADHO COC(=O)[C@H](C)CN1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026415 863199114 /nfs/dbraw/zinc/19/91/14/863199114.db2.gz QPECJIJOMGFSMX-HIFRSBDPSA-N 1 3 369.531 0.813 20 0 FCADHO Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCN3C2CC[NH+](C)CC2)c1 ZINC001280070500 863239809 /nfs/dbraw/zinc/23/98/09/863239809.db2.gz AKRIFJISWHCBOW-GJZGRUSLSA-N 1 3 353.492 0.352 20 0 FCADHO CC[NH+]1CCC(CN2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280249849 863361231 /nfs/dbraw/zinc/36/12/31/863361231.db2.gz HELRKECOTGHGGG-JKSUJKDBSA-N 1 3 350.463 0.168 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001288991271 864840530 /nfs/dbraw/zinc/84/05/30/864840530.db2.gz LJEPDZWTRSTWQZ-LZLYRXPVSA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1)N(C)C ZINC001290533829 865443362 /nfs/dbraw/zinc/44/33/62/865443362.db2.gz IAQDNRYETHTFCB-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1N[C@H]1CCN(C2CCC2)C1=O ZINC001316596663 867361973 /nfs/dbraw/zinc/36/19/73/867361973.db2.gz VMDABYIMBIVKRX-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO O=C(N[C@@H]1CCCN(CCCO)C1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357558893 868132465 /nfs/dbraw/zinc/13/24/65/868132465.db2.gz ARXHNPWIPVBEIK-HZPDHXFCSA-N 1 3 354.495 0.291 20 0 FCADHO CS(=O)(=O)C1(C(=O)NC2CCN(C3CCCC3)CC2)CC[NH2+]CC1 ZINC001326673534 870442367 /nfs/dbraw/zinc/44/23/67/870442367.db2.gz BHLNMZKFXPECGK-UHFFFAOYSA-N 1 3 357.520 0.676 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC001346237291 871720190 /nfs/dbraw/zinc/72/01/90/871720190.db2.gz OTIDEIKIWOASCW-MRXNPFEDSA-N 1 3 354.495 0.637 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](CO)[C@@H](O)C3)CC2)CC1 ZINC001329065598 871806289 /nfs/dbraw/zinc/80/62/89/871806289.db2.gz FKGRIHMIRYEKMK-AEFFLSMTSA-N 1 3 353.507 0.384 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CCSC1 ZINC001331490311 873123062 /nfs/dbraw/zinc/12/30/62/873123062.db2.gz XHZWNRUANRWXMH-SFHVURJKSA-N 1 3 368.547 0.532 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001332702626 873622890 /nfs/dbraw/zinc/62/28/90/873622890.db2.gz DUZRNQNDXKLGJE-UHFFFAOYSA-N 1 3 350.507 0.923 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCOC)C(N)=O)CC2)CC1 ZINC001332890751 873702982 /nfs/dbraw/zinc/70/29/82/873702982.db2.gz ZPYFPNUVCDCFRQ-MRXNPFEDSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574918291 948840843 /nfs/dbraw/zinc/84/08/43/948840843.db2.gz ILSFBULJJZXZHT-GFCCVEGCSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575100146 951841594 /nfs/dbraw/zinc/84/15/94/951841594.db2.gz RAXUOVYAVQKBGD-GFCCVEGCSA-N 1 3 363.491 0.961 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413241321 529688645 /nfs/dbraw/zinc/68/86/45/529688645.db2.gz KADSDWMJJIHAPE-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413241321 529688649 /nfs/dbraw/zinc/68/86/49/529688649.db2.gz KADSDWMJJIHAPE-KRWDZBQOSA-N 1 3 369.554 0.813 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331572065 215017768 /nfs/dbraw/zinc/01/77/68/215017768.db2.gz LQFOVSTVXSTWNJ-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331572065 215017769 /nfs/dbraw/zinc/01/77/69/215017769.db2.gz LQFOVSTVXSTWNJ-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331684058 215034389 /nfs/dbraw/zinc/03/43/89/215034389.db2.gz SAQXMOKBENBOOF-YJNKXOJESA-N 1 3 352.479 0.158 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331684058 215034392 /nfs/dbraw/zinc/03/43/92/215034392.db2.gz SAQXMOKBENBOOF-YJNKXOJESA-N 1 3 352.479 0.158 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000332061495 215086100 /nfs/dbraw/zinc/08/61/00/215086100.db2.gz YDMHQXLSEDKQRR-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000332061495 215086102 /nfs/dbraw/zinc/08/61/02/215086102.db2.gz YDMHQXLSEDKQRR-BBWFWOEESA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000332341677 215134280 /nfs/dbraw/zinc/13/42/80/215134280.db2.gz XFHHVGGNAVXKLP-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333508561 215291899 /nfs/dbraw/zinc/29/18/99/215291899.db2.gz FCVRZJLGJUWNEO-IBGZPJMESA-N 1 3 372.517 0.987 20 0 FCADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@H]2C1 ZINC000333494934 215289883 /nfs/dbraw/zinc/28/98/83/215289883.db2.gz DSZNXIFLJGYXPW-HZSPNIEDSA-N 1 3 363.428 0.558 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333546673 215295592 /nfs/dbraw/zinc/29/55/92/215295592.db2.gz OQUGYWWLFCSSOW-BRWVUGGUSA-N 1 3 353.511 0.175 20 0 FCADHO COCCN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333714745 215312553 /nfs/dbraw/zinc/31/25/53/215312553.db2.gz SVRZWFKRSPJFHC-AOCRQIFASA-N 1 3 367.538 0.565 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334092657 215344615 /nfs/dbraw/zinc/34/46/15/215344615.db2.gz OTORRQQBZXKFFF-HMQMGEFJSA-N 1 3 363.506 0.560 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334092657 215344620 /nfs/dbraw/zinc/34/46/20/215344620.db2.gz OTORRQQBZXKFFF-HMQMGEFJSA-N 1 3 363.506 0.560 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000366595518 216001975 /nfs/dbraw/zinc/00/19/75/216001975.db2.gz GUDILJHSFNLXSD-QLFBSQMISA-N 1 3 353.429 0.884 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000367835462 216169346 /nfs/dbraw/zinc/16/93/46/216169346.db2.gz INTPFVNWCJFXCA-UHFFFAOYSA-N 1 3 363.510 0.181 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)N(C)C2CC2)CC1=O ZINC000246529954 209389149 /nfs/dbraw/zinc/38/91/49/209389149.db2.gz WNABXEBMODNAIL-YQQAZPJKSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)N(C)C2CC2)CC1=O ZINC000246529954 209389152 /nfs/dbraw/zinc/38/91/52/209389152.db2.gz WNABXEBMODNAIL-YQQAZPJKSA-N 1 3 350.507 0.918 20 0 FCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000237903750 209361310 /nfs/dbraw/zinc/36/13/10/209361310.db2.gz DZOJZKUYFWFYMO-MRXNPFEDSA-N 1 3 366.506 0.335 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000237171857 209349761 /nfs/dbraw/zinc/34/97/61/209349761.db2.gz HCHHMIISKSRXDR-INIZCTEOSA-N 1 3 364.515 0.689 20 0 FCADHO CC(C)N1CCN(c2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000236613061 209340817 /nfs/dbraw/zinc/34/08/17/209340817.db2.gz AWHXSMMKYSJRPZ-UHFFFAOYSA-N 1 3 359.518 0.852 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CN2CCN1CCC2 ZINC000368575580 216266805 /nfs/dbraw/zinc/26/68/05/216266805.db2.gz IWUYONXUNBYQQN-KURKYZTESA-N 1 3 350.507 0.260 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C)CC1 ZINC000369048126 216339565 /nfs/dbraw/zinc/33/95/65/216339565.db2.gz SJSDQJMKIVYZHP-SQNIBIBYSA-N 1 3 367.538 0.421 20 0 FCADHO CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C)CC1 ZINC000369048126 216339568 /nfs/dbraw/zinc/33/95/68/216339568.db2.gz SJSDQJMKIVYZHP-SQNIBIBYSA-N 1 3 367.538 0.421 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000369479640 216413234 /nfs/dbraw/zinc/41/32/34/216413234.db2.gz BGHXRJILGQFEEW-RDJZCZTQSA-N 1 3 354.495 0.507 20 0 FCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000187941504 209220868 /nfs/dbraw/zinc/22/08/68/209220868.db2.gz JPDUPOPJWCKLNA-HYVNUMGLSA-N 1 3 360.458 0.699 20 0 FCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000187941504 209220871 /nfs/dbraw/zinc/22/08/71/209220871.db2.gz JPDUPOPJWCKLNA-HYVNUMGLSA-N 1 3 360.458 0.699 20 0 FCADHO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000275919446 212118831 /nfs/dbraw/zinc/11/88/31/212118831.db2.gz SUZVWBLPIHCKSN-UHFFFAOYSA-N 1 3 350.463 0.737 20 0 FCADHO C[C@H]1C[C@H](CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737735 245319332 /nfs/dbraw/zinc/31/93/32/245319332.db2.gz OIULVSIMLWYGER-LSDHHAIUSA-N 1 3 352.504 0.844 20 0 FCADHO C[C@@H]1C[C@H](CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742664 245319484 /nfs/dbraw/zinc/31/94/84/245319484.db2.gz NSVXPKYKYNSGKZ-IAGOWNOFSA-N 1 3 360.506 0.823 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760833 245322545 /nfs/dbraw/zinc/32/25/45/245322545.db2.gz RPAJBKLGKSYJMG-ZCNNSNEGSA-N 1 3 372.513 0.769 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000414760833 245322551 /nfs/dbraw/zinc/32/25/51/245322551.db2.gz RPAJBKLGKSYJMG-ZCNNSNEGSA-N 1 3 372.513 0.769 20 0 FCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000414765384 245323367 /nfs/dbraw/zinc/32/33/67/245323367.db2.gz BXURIDCFAZMNST-QGZVFWFLSA-N 1 3 362.474 0.914 20 0 FCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)C1 ZINC000415088298 245346590 /nfs/dbraw/zinc/34/65/90/245346590.db2.gz WGOHRXSXZAGJKC-IRXDYDNUSA-N 1 3 374.485 0.453 20 0 FCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)N3CCC[C@H]3CN3CCCC3)cc2C1 ZINC000415119098 245348217 /nfs/dbraw/zinc/34/82/17/245348217.db2.gz YQINYUKORPQDNL-WBVHZDCISA-N 1 3 371.485 0.923 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415302092 245381663 /nfs/dbraw/zinc/38/16/63/245381663.db2.gz CBBJLYRFCCPVCT-UHFFFAOYSA-N 1 3 364.515 0.942 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000415304887 245382446 /nfs/dbraw/zinc/38/24/46/245382446.db2.gz GKDLEHYYRUXLFU-UHFFFAOYSA-N 1 3 373.501 0.897 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415319029 245383764 /nfs/dbraw/zinc/38/37/64/245383764.db2.gz SAEJKZGWRCGNJE-MRXNPFEDSA-N 1 3 373.501 0.944 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931567873 674120322 /nfs/dbraw/zinc/12/03/22/674120322.db2.gz ZGLCASSHLCUCRD-GJZGRUSLSA-N 1 3 350.467 0.508 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931567873 674120319 /nfs/dbraw/zinc/12/03/19/674120319.db2.gz ZGLCASSHLCUCRD-GJZGRUSLSA-N 1 3 350.467 0.508 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCCN(C)C ZINC000415753489 245487260 /nfs/dbraw/zinc/48/72/60/245487260.db2.gz YMNADQNYNCJIBT-JKSUJKDBSA-N 1 3 374.485 0.942 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419154540 246019533 /nfs/dbraw/zinc/01/95/33/246019533.db2.gz RPTNMOQORWFSHB-CQSZACIVSA-N 1 3 352.504 0.754 20 0 FCADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419153378 246019903 /nfs/dbraw/zinc/01/99/03/246019903.db2.gz PQXKIFJUUWCQBL-HUUCEWRRSA-N 1 3 364.515 0.945 20 0 FCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419158033 246024623 /nfs/dbraw/zinc/02/46/23/246024623.db2.gz XEKWCAYUWWMDMY-ZIAGYGMSSA-N 1 3 352.504 0.882 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](CN)C1 ZINC000419136808 246010775 /nfs/dbraw/zinc/01/07/75/246010775.db2.gz PSNFJTIDLCAIPF-RBSFLKMASA-N 1 3 356.511 0.434 20 0 FCADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419146838 246014629 /nfs/dbraw/zinc/01/46/29/246014629.db2.gz IQWJVHYNMRMQSS-ZIAGYGMSSA-N 1 3 350.488 0.554 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000419166063 246028663 /nfs/dbraw/zinc/02/86/63/246028663.db2.gz OAOCGENAOAVILB-QGZVFWFLSA-N 1 3 374.485 0.391 20 0 FCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419165481 246028891 /nfs/dbraw/zinc/02/88/91/246028891.db2.gz GLIYTFVIMNWTKV-JKSUJKDBSA-N 1 3 354.495 0.252 20 0 FCADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000419186451 246042357 /nfs/dbraw/zinc/04/23/57/246042357.db2.gz IEBMVXSNEFNAJO-GOSISDBHSA-N 1 3 374.485 0.180 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000419194822 246046817 /nfs/dbraw/zinc/04/68/17/246046817.db2.gz UFSRZWSBABXSDF-GOSISDBHSA-N 1 3 358.486 0.678 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000419224381 246064144 /nfs/dbraw/zinc/06/41/44/246064144.db2.gz ZIPBPYFPCXLPDO-INIZCTEOSA-N 1 3 362.474 0.583 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000419199026 246047734 /nfs/dbraw/zinc/04/77/34/246047734.db2.gz DIVGMUVTTOLRRN-ZBFHGGJFSA-N 1 3 362.474 0.439 20 0 FCADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CCCNCC1 ZINC000419197704 246048238 /nfs/dbraw/zinc/04/82/38/246048238.db2.gz YFTLGMOLBMGZNZ-UHFFFAOYSA-N 1 3 358.486 0.632 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCC1 ZINC000419237945 246073640 /nfs/dbraw/zinc/07/36/40/246073640.db2.gz MIAKVTZWXQTHDC-HZPDHXFCSA-N 1 3 366.506 0.332 20 0 FCADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419266544 246080485 /nfs/dbraw/zinc/08/04/85/246080485.db2.gz GSHVNPNIIRTICS-KRWDZBQOSA-N 1 3 362.474 0.249 20 0 FCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419370373 246119696 /nfs/dbraw/zinc/11/96/96/246119696.db2.gz GVMRWRDIYUSMSH-QGZVFWFLSA-N 1 3 360.502 0.691 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419373347 246121734 /nfs/dbraw/zinc/12/17/34/246121734.db2.gz MQJVOBJGWVJRIO-WMLDXEAASA-N 1 3 358.486 0.445 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)C1 ZINC000419371928 246122074 /nfs/dbraw/zinc/12/20/74/246122074.db2.gz LRGFQUFBDZLSGO-SJORKVTESA-N 1 3 352.523 0.927 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419389428 246129279 /nfs/dbraw/zinc/12/92/79/246129279.db2.gz HOSUERYUTYJNAT-QZTJIDSGSA-N 1 3 360.502 0.863 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419412024 246147847 /nfs/dbraw/zinc/14/78/47/246147847.db2.gz CGNGUAIHAVFGFW-WBVHZDCISA-N 1 3 358.486 0.747 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419399360 246134520 /nfs/dbraw/zinc/13/45/20/246134520.db2.gz JHLQWRMAFPYNJO-JCGIZDLHSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419399360 246134524 /nfs/dbraw/zinc/13/45/24/246134524.db2.gz JHLQWRMAFPYNJO-JCGIZDLHSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419410599 246144573 /nfs/dbraw/zinc/14/45/73/246144573.db2.gz ASNDXCSAZRWGIP-HNNXBMFYSA-N 1 3 354.495 0.333 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419475420 246176709 /nfs/dbraw/zinc/17/67/09/246176709.db2.gz DQQCXVQDZWPOED-PMPSAXMXSA-N 1 3 368.522 0.844 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419475420 246176716 /nfs/dbraw/zinc/17/67/16/246176716.db2.gz DQQCXVQDZWPOED-PMPSAXMXSA-N 1 3 368.522 0.844 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](CN)C1 ZINC000419480316 246177670 /nfs/dbraw/zinc/17/76/70/246177670.db2.gz NCVZKWCGMOHIFL-BRWVUGGUSA-N 1 3 368.522 0.579 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@@H](CN)C1 ZINC000419480316 246177677 /nfs/dbraw/zinc/17/76/77/246177677.db2.gz NCVZKWCGMOHIFL-BRWVUGGUSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000419582082 246209313 /nfs/dbraw/zinc/20/93/13/246209313.db2.gz JXUUNWFVRONQHM-CRAIPNDOSA-N 1 3 368.547 0.531 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CCSC1 ZINC000419580586 246209682 /nfs/dbraw/zinc/20/96/82/246209682.db2.gz IJMOREMTOGOZFI-GOSISDBHSA-N 1 3 368.547 0.531 20 0 FCADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000419656891 246233354 /nfs/dbraw/zinc/23/33/54/246233354.db2.gz VHQREIMDFJEFEA-GDBMZVCRSA-N 1 3 362.474 0.337 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000419665140 246237450 /nfs/dbraw/zinc/23/74/50/246237450.db2.gz SVYCWZLLDVUMMC-KBAYOESNSA-N 1 3 374.485 0.342 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)[C@H]1C[NH3+] ZINC000419684275 246248445 /nfs/dbraw/zinc/24/84/45/246248445.db2.gz LTBKSUOYWGBFIT-HOTGVXAUSA-N 1 3 366.506 0.333 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419753026 246283346 /nfs/dbraw/zinc/28/33/46/246283346.db2.gz NEQOSSHBAVIGJW-HNNXBMFYSA-N 1 3 368.522 0.498 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419765157 246288650 /nfs/dbraw/zinc/28/86/50/246288650.db2.gz QBJDJKZDDRWECK-QZTJIDSGSA-N 1 3 358.486 0.963 20 0 FCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419769851 246292155 /nfs/dbraw/zinc/29/21/55/246292155.db2.gz WGOPUQOLCBRWGH-QZTJIDSGSA-N 1 3 374.485 0.199 20 0 FCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419834533 246313258 /nfs/dbraw/zinc/31/32/58/246313258.db2.gz SPRJOPFVERVSCV-HOTGVXAUSA-N 1 3 368.522 0.579 20 0 FCADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419889293 246352415 /nfs/dbraw/zinc/35/24/15/246352415.db2.gz SAJFCZSHKBYDLG-GHTZIAJQSA-N 1 3 370.497 0.979 20 0 FCADHO CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000419899336 246358861 /nfs/dbraw/zinc/35/88/61/246358861.db2.gz YOOJEEORCUGEOT-KRWDZBQOSA-N 1 3 358.486 0.978 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419965845 246392464 /nfs/dbraw/zinc/39/24/64/246392464.db2.gz KKJHVFIHGNKIPO-KRWDZBQOSA-N 1 3 367.538 0.106 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423358561 247011474 /nfs/dbraw/zinc/01/14/74/247011474.db2.gz BRRGWRITHSCDDZ-CABCVRRESA-N 1 3 364.515 0.706 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[C@@H]1[NH3+] ZINC000423361480 247012095 /nfs/dbraw/zinc/01/20/95/247012095.db2.gz GYENPINVYJZSEK-HIFRSBDPSA-N 1 3 352.504 0.834 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[C@H]1[NH3+] ZINC000423361481 247012154 /nfs/dbraw/zinc/01/21/54/247012154.db2.gz GYENPINVYJZSEK-UKRRQHHQSA-N 1 3 352.504 0.834 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)C[C@@H](C)O1 ZINC000423514862 247039778 /nfs/dbraw/zinc/03/97/78/247039778.db2.gz WYGMXVQZTFLRPC-HUUCEWRRSA-N 1 3 354.495 0.141 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000423690901 247111872 /nfs/dbraw/zinc/11/18/72/247111872.db2.gz ZFWYQHNZOAIXOV-GDBMZVCRSA-N 1 3 354.495 0.284 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423645534 247090134 /nfs/dbraw/zinc/09/01/34/247090134.db2.gz KUUDUMIVVHFIRE-QYZOEREBSA-N 1 3 370.497 0.917 20 0 FCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423645534 247090141 /nfs/dbraw/zinc/09/01/41/247090141.db2.gz KUUDUMIVVHFIRE-QYZOEREBSA-N 1 3 370.497 0.917 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423723030 247125609 /nfs/dbraw/zinc/12/56/09/247125609.db2.gz KYDVKBOVNKGIKR-JLJPHGGASA-N 1 3 362.449 0.631 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)[C@@H]1CN ZINC000423728535 247127831 /nfs/dbraw/zinc/12/78/31/247127831.db2.gz JVDDJEKGUADFLJ-NVXWUHKLSA-N 1 3 368.522 0.532 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423734423 247133346 /nfs/dbraw/zinc/13/33/46/247133346.db2.gz QXWNHLWDLWSCLA-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424530059 247253463 /nfs/dbraw/zinc/25/34/63/247253463.db2.gz VJTLNSHBKLNZLV-PKOBYXMFSA-N 1 3 370.497 0.978 20 0 FCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000424456566 247225212 /nfs/dbraw/zinc/22/52/12/247225212.db2.gz PQVUZMUANSPHTH-KRWDZBQOSA-N 1 3 362.474 0.745 20 0 FCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000424456566 247225219 /nfs/dbraw/zinc/22/52/19/247225219.db2.gz PQVUZMUANSPHTH-KRWDZBQOSA-N 1 3 362.474 0.745 20 0 FCADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536865 247254451 /nfs/dbraw/zinc/25/44/51/247254451.db2.gz BRMXRDVJXFICFJ-INDMIFKZSA-N 1 3 370.497 0.963 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000439240792 248117149 /nfs/dbraw/zinc/11/71/49/248117149.db2.gz XCWMBGJLBDDFLT-QZTJIDSGSA-N 1 3 355.523 0.989 20 0 FCADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758673 248295307 /nfs/dbraw/zinc/29/53/07/248295307.db2.gz BDWYTLHKPTYAFX-UKRRQHHQSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758673 248295308 /nfs/dbraw/zinc/29/53/08/248295308.db2.gz BDWYTLHKPTYAFX-UKRRQHHQSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758673 248295311 /nfs/dbraw/zinc/29/53/11/248295311.db2.gz BDWYTLHKPTYAFX-UKRRQHHQSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758674 248296098 /nfs/dbraw/zinc/29/60/98/248296098.db2.gz BDWYTLHKPTYAFX-ZFWWWQNUSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758674 248296101 /nfs/dbraw/zinc/29/61/01/248296101.db2.gz BDWYTLHKPTYAFX-ZFWWWQNUSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000442758674 248296102 /nfs/dbraw/zinc/29/61/02/248296102.db2.gz BDWYTLHKPTYAFX-ZFWWWQNUSA-N 1 3 368.503 0.052 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790536 248398253 /nfs/dbraw/zinc/39/82/53/248398253.db2.gz PPGKLXGWLABERL-OAHLLOKOSA-N 1 3 351.499 0.415 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ncn(C)n1 ZINC000446790536 248398255 /nfs/dbraw/zinc/39/82/55/248398255.db2.gz PPGKLXGWLABERL-OAHLLOKOSA-N 1 3 351.499 0.415 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453758339 249364853 /nfs/dbraw/zinc/36/48/53/249364853.db2.gz RTONNTINAGRGAH-KRWDZBQOSA-N 1 3 362.474 0.604 20 0 FCADHO CN(C)CCOc1cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)ccn1 ZINC000270728659 211256240 /nfs/dbraw/zinc/25/62/40/211256240.db2.gz YAEHKICJHUSFBT-QGZVFWFLSA-N 1 3 353.467 0.134 20 0 FCADHO COCCN(C)CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270620939 211236261 /nfs/dbraw/zinc/23/62/61/211236261.db2.gz CESVTJVZNWECAQ-UHFFFAOYSA-N 1 3 353.467 0.399 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000473186736 250205648 /nfs/dbraw/zinc/20/56/48/250205648.db2.gz JTKOGHIHFPCJNR-UHFFFAOYSA-N 1 3 355.527 0.914 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000473186736 250205654 /nfs/dbraw/zinc/20/56/54/250205654.db2.gz JTKOGHIHFPCJNR-UHFFFAOYSA-N 1 3 355.527 0.914 20 0 FCADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077622052 208072113 /nfs/dbraw/zinc/07/21/13/208072113.db2.gz QJBKXXYYNQBLGJ-MRXNPFEDSA-N 1 3 356.511 0.707 20 0 FCADHO C[C@@H]1CN(CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000092587469 208145934 /nfs/dbraw/zinc/14/59/34/208145934.db2.gz KMAOINRRTJYRBM-GASCZTMLSA-N 1 3 364.490 0.405 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867647 208287597 /nfs/dbraw/zinc/28/75/97/208287597.db2.gz JEUHVLZQWGWKNV-ZWKOTPCHSA-N 1 3 367.538 0.519 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867647 208287601 /nfs/dbraw/zinc/28/76/01/208287601.db2.gz JEUHVLZQWGWKNV-ZWKOTPCHSA-N 1 3 367.538 0.519 20 0 FCADHO CN(C)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000118093510 208348467 /nfs/dbraw/zinc/34/84/67/208348467.db2.gz OBJZVQRTYVQOTL-UHFFFAOYSA-N 1 3 373.501 0.835 20 0 FCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000410463302 230087518 /nfs/dbraw/zinc/08/75/18/230087518.db2.gz AOXFFDGAKRTVNE-INIZCTEOSA-N 1 3 368.522 0.498 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410501585 230108225 /nfs/dbraw/zinc/10/82/25/230108225.db2.gz CWNZJVWAAFZVIG-UHFFFAOYSA-N 1 3 356.511 0.213 20 0 FCADHO CN1CC[C@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)Cc3cccs3)C[C@H]21 ZINC000410707590 230204174 /nfs/dbraw/zinc/20/41/74/230204174.db2.gz DLINPZJIYYSPCU-GOEBONIOSA-N 1 3 364.515 0.801 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000410736635 230226790 /nfs/dbraw/zinc/22/67/90/230226790.db2.gz OLXNRODWTXDGGF-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000410736635 230226795 /nfs/dbraw/zinc/22/67/95/230226795.db2.gz OLXNRODWTXDGGF-ZACQAIPSSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000410736632 230227155 /nfs/dbraw/zinc/22/71/55/230227155.db2.gz OLXNRODWTXDGGF-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000410736632 230227159 /nfs/dbraw/zinc/22/71/59/230227159.db2.gz OLXNRODWTXDGGF-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410779691 230245564 /nfs/dbraw/zinc/24/55/64/230245564.db2.gz MAMAKDWJFMJFOU-CVEARBPZSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410779691 230245570 /nfs/dbraw/zinc/24/55/70/230245570.db2.gz MAMAKDWJFMJFOU-CVEARBPZSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCC1 ZINC000410779692 230245654 /nfs/dbraw/zinc/24/56/54/230245654.db2.gz MAMAKDWJFMJFOU-HOTGVXAUSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCC1 ZINC000410779692 230245661 /nfs/dbraw/zinc/24/56/61/230245661.db2.gz MAMAKDWJFMJFOU-HOTGVXAUSA-N 1 3 350.507 0.872 20 0 FCADHO OC[C@H]1CC[C@H](CO)N1Cc1cccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287454797 488871474 /nfs/dbraw/zinc/87/14/74/488871474.db2.gz QVVHWHUTWUVYBC-UAFMIMERSA-N 1 3 364.486 0.322 20 0 FCADHO CC(C)COC[C@@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760707 488144834 /nfs/dbraw/zinc/14/48/34/488144834.db2.gz JITUIURIAZVHCS-SFHVURJKSA-N 1 3 370.538 0.878 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000562821342 491192846 /nfs/dbraw/zinc/19/28/46/491192846.db2.gz OCMZHGJSHCWWHF-ZWKOTPCHSA-N 1 3 373.501 0.041 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000554335638 491195545 /nfs/dbraw/zinc/19/55/45/491195545.db2.gz ZCZAQQJLLBQKSQ-CRAIPNDOSA-N 1 3 372.513 0.801 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000554335638 491195547 /nfs/dbraw/zinc/19/55/47/491195547.db2.gz ZCZAQQJLLBQKSQ-CRAIPNDOSA-N 1 3 372.513 0.801 20 0 FCADHO C[C@@H]1CN(CCCN2CCOCC2)C[C@H](C)[N@H+]1CCCN1CCOCC1 ZINC000187116162 488408960 /nfs/dbraw/zinc/40/89/60/488408960.db2.gz ZNENYQUESQVDKB-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1CN(CCCN2CCOCC2)C[C@H](C)[N@@H+]1CCCN1CCOCC1 ZINC000187116162 488408963 /nfs/dbraw/zinc/40/89/63/488408963.db2.gz ZNENYQUESQVDKB-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO CCN(CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000187372491 488409955 /nfs/dbraw/zinc/40/99/55/488409955.db2.gz OMUDJVHOPSQGQH-IRXDYDNUSA-N 1 3 356.511 0.368 20 0 FCADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000189998268 488416629 /nfs/dbraw/zinc/41/66/29/488416629.db2.gz QJSPJHXWGNIWKB-GDBMZVCRSA-N 1 3 352.479 0.311 20 0 FCADHO CN1CCC(O)(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000077771644 488417680 /nfs/dbraw/zinc/41/76/80/488417680.db2.gz OINGJILUZSIAKF-UHFFFAOYSA-N 1 3 364.490 0.883 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000077801166 488418098 /nfs/dbraw/zinc/41/80/98/488418098.db2.gz RCMKRMKQFSTLDQ-ZDUSSCGKSA-N 1 3 353.433 0.758 20 0 FCADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000081293008 488440384 /nfs/dbraw/zinc/44/03/84/488440384.db2.gz AATXDAULLJOKQF-QGZVFWFLSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000081293008 488440386 /nfs/dbraw/zinc/44/03/86/488440386.db2.gz AATXDAULLJOKQF-QGZVFWFLSA-N 1 3 352.523 0.975 20 0 FCADHO CC1CCN(CC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000236840400 488453991 /nfs/dbraw/zinc/45/39/91/488453991.db2.gz APWSQDPVIARUCA-DLBZAZTESA-N 1 3 350.507 0.825 20 0 FCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246549836 488473422 /nfs/dbraw/zinc/47/34/22/488473422.db2.gz XDWXHFFPFIQMIO-GJZGRUSLSA-N 1 3 364.494 0.620 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246848755 488477045 /nfs/dbraw/zinc/47/70/45/488477045.db2.gz KSLBYWIPKQYZSP-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000246848755 488477046 /nfs/dbraw/zinc/47/70/46/488477046.db2.gz KSLBYWIPKQYZSP-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000248003072 488492745 /nfs/dbraw/zinc/49/27/45/488492745.db2.gz KOXKWTWCXGUHGI-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000248003072 488492747 /nfs/dbraw/zinc/49/27/47/488492747.db2.gz KOXKWTWCXGUHGI-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000248494293 488497589 /nfs/dbraw/zinc/49/75/89/488497589.db2.gz BIVIZWWXDFEDSX-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000248494293 488497591 /nfs/dbraw/zinc/49/75/91/488497591.db2.gz BIVIZWWXDFEDSX-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000103212425 488500684 /nfs/dbraw/zinc/50/06/84/488500684.db2.gz KFUVUROQNZDRMP-MRXNPFEDSA-N 1 3 361.490 0.382 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000103603828 488502384 /nfs/dbraw/zinc/50/23/84/488502384.db2.gz GWHPYBOZFMRTLJ-QGZVFWFLSA-N 1 3 367.538 0.914 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103614544 488503040 /nfs/dbraw/zinc/50/30/40/488503040.db2.gz OADFRLYMWIRXQW-KRWDZBQOSA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000569922270 491203386 /nfs/dbraw/zinc/20/33/86/491203386.db2.gz FMAIJCMRMYIFDP-SJORKVTESA-N 1 3 356.474 0.933 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000104779731 488505821 /nfs/dbraw/zinc/50/58/21/488505821.db2.gz XCWHCLDLCPMMAP-AWEZNQCLSA-N 1 3 351.495 0.500 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000104779731 488505823 /nfs/dbraw/zinc/50/58/23/488505823.db2.gz XCWHCLDLCPMMAP-AWEZNQCLSA-N 1 3 351.495 0.500 20 0 FCADHO CCN1CCN([C@H]2CCN(CC(=O)NC3CC[NH+](CC)CC3)C2)CC1 ZINC000107371348 488517423 /nfs/dbraw/zinc/51/74/23/488517423.db2.gz BDGMZESVCNLZMV-SFHVURJKSA-N 1 3 351.539 0.299 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1=O ZINC000261610560 488527087 /nfs/dbraw/zinc/52/70/87/488527087.db2.gz BWMXGVRIMZSGBE-KSZLIROESA-N 1 3 358.486 0.597 20 0 FCADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)O1 ZINC000261674067 488529982 /nfs/dbraw/zinc/52/99/82/488529982.db2.gz GMYLKFLVUBGOOF-MOPGFXCFSA-N 1 3 360.502 0.817 20 0 FCADHO CC(C)[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N1CCN(C)CC1 ZINC000111812442 488531763 /nfs/dbraw/zinc/53/17/63/488531763.db2.gz DZYKLPGLJFZVSL-GOSISDBHSA-N 1 3 369.554 0.262 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000271627962 488532574 /nfs/dbraw/zinc/53/25/74/488532574.db2.gz FAZBHOCZLGYKFA-UHFFFAOYSA-N 1 3 362.478 0.689 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261757806 488534834 /nfs/dbraw/zinc/53/48/34/488534834.db2.gz JLLXFRLCABSKDO-DLBZAZTESA-N 1 3 362.518 0.921 20 0 FCADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)CC1 ZINC000262076664 488549401 /nfs/dbraw/zinc/54/94/01/488549401.db2.gz PYWXFUPXQCYDHM-HXUWFJFHSA-N 1 3 371.529 0.948 20 0 FCADHO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H](C)N(C)C)CC1 ZINC000271837849 488549495 /nfs/dbraw/zinc/54/94/95/488549495.db2.gz YBYJBEYKXYRTBS-ZDUSSCGKSA-N 1 3 350.467 0.545 20 0 FCADHO CN1CC=C(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000271896320 488552867 /nfs/dbraw/zinc/55/28/67/488552867.db2.gz NXDDACIEYQMSRI-UHFFFAOYSA-N 1 3 360.458 0.944 20 0 FCADHO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1(C)C ZINC000262782737 488593189 /nfs/dbraw/zinc/59/31/89/488593189.db2.gz LKEKJZKXEOKIGY-KXBFYZLASA-N 1 3 366.506 0.286 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263262396 488607894 /nfs/dbraw/zinc/60/78/94/488607894.db2.gz SYVSMIQWJZXIOF-KRWDZBQOSA-N 1 3 363.462 0.615 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000563077663 491213218 /nfs/dbraw/zinc/21/32/18/491213218.db2.gz NFCPHUOPTBOSJA-KBAYOESNSA-N 1 3 358.486 0.881 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000130522854 488638202 /nfs/dbraw/zinc/63/82/02/488638202.db2.gz AGTUQBDYOXQHKK-UHFFFAOYSA-N 1 3 372.473 0.763 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000130554084 488638523 /nfs/dbraw/zinc/63/85/23/488638523.db2.gz NHMJLFFCJGOHPT-UHFFFAOYSA-N 1 3 360.380 0.994 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000136644628 488678743 /nfs/dbraw/zinc/67/87/43/488678743.db2.gz KIRZILYOKFWUFL-QGZVFWFLSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C[NH+]1CCCC1 ZINC000137121039 488680232 /nfs/dbraw/zinc/68/02/32/488680232.db2.gz YLZKMLRSSCKIQB-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000570113995 491217687 /nfs/dbraw/zinc/21/76/87/491217687.db2.gz MMSXRFPFLPFVOY-UHFFFAOYSA-N 1 3 363.510 0.580 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCC(C)CC1 ZINC000152073855 488713353 /nfs/dbraw/zinc/71/33/53/488713353.db2.gz LTIYXAWOWPBVRD-HNNXBMFYSA-N 1 3 364.494 0.620 20 0 FCADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152395899 488716994 /nfs/dbraw/zinc/71/69/94/488716994.db2.gz JEDZPRJLKWTBNY-AWEZNQCLSA-N 1 3 368.503 0.936 20 0 FCADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152395899 488716996 /nfs/dbraw/zinc/71/69/96/488716996.db2.gz JEDZPRJLKWTBNY-AWEZNQCLSA-N 1 3 368.503 0.936 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000153248405 488729381 /nfs/dbraw/zinc/72/93/81/488729381.db2.gz JWYRWGIOPSLEGU-OAHLLOKOSA-N 1 3 364.494 0.620 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000153248405 488729382 /nfs/dbraw/zinc/72/93/82/488729382.db2.gz JWYRWGIOPSLEGU-OAHLLOKOSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000153575104 488732370 /nfs/dbraw/zinc/73/23/70/488732370.db2.gz WCVIWVORUYRCKT-WBVHZDCISA-N 1 3 354.495 0.459 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000153574667 488732471 /nfs/dbraw/zinc/73/24/71/488732471.db2.gz UWIWLOYLNZINDA-HNNXBMFYSA-N 1 3 362.478 0.328 20 0 FCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000154011625 488737536 /nfs/dbraw/zinc/73/75/36/488737536.db2.gz FQXKPTCXXJHUIW-OAHLLOKOSA-N 1 3 364.494 0.574 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155484341 488755809 /nfs/dbraw/zinc/75/58/09/488755809.db2.gz ZSUAALXFLQXPHS-GOSISDBHSA-N 1 3 352.523 0.726 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155484341 488755810 /nfs/dbraw/zinc/75/58/10/488755810.db2.gz ZSUAALXFLQXPHS-GOSISDBHSA-N 1 3 352.523 0.726 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155615283 488757189 /nfs/dbraw/zinc/75/71/89/488757189.db2.gz OCOSNZYGVHHJTH-SJLPKXTDSA-N 1 3 352.523 0.630 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)CN1CCN(C)CC1 ZINC000155615283 488757191 /nfs/dbraw/zinc/75/71/91/488757191.db2.gz OCOSNZYGVHHJTH-SJLPKXTDSA-N 1 3 352.523 0.630 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000563141097 491220494 /nfs/dbraw/zinc/22/04/94/491220494.db2.gz BAGUAUKVKPPKKO-GOSISDBHSA-N 1 3 358.486 0.919 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563151958 491222197 /nfs/dbraw/zinc/22/21/97/491222197.db2.gz BJAHOTHETDJQQO-IAGOWNOFSA-N 1 3 366.506 0.252 20 0 FCADHO CC(C)N1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000162679566 488804390 /nfs/dbraw/zinc/80/43/90/488804390.db2.gz DMRXJLLLLBKMBD-IBGZPJMESA-N 1 3 359.518 0.932 20 0 FCADHO COCCN(C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000171203811 488821164 /nfs/dbraw/zinc/82/11/64/488821164.db2.gz OWCDEHQQDOLUSL-UHFFFAOYSA-N 1 3 355.527 0.422 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172292976 488832199 /nfs/dbraw/zinc/83/21/99/488832199.db2.gz XTSDHUFDUHZVTD-HNNXBMFYSA-N 1 3 362.474 0.976 20 0 FCADHO COc1cc(F)c(F)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570192616 491223945 /nfs/dbraw/zinc/22/39/45/491223945.db2.gz LAUPPRNZSNEDKU-UHFFFAOYSA-N 1 3 372.416 0.864 20 0 FCADHO Cc1cc(N2CC[C@H](N(C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173682377 488844619 /nfs/dbraw/zinc/84/46/19/488844619.db2.gz LNGVENHOMPSEAW-WBVHZDCISA-N 1 3 363.506 0.858 20 0 FCADHO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)CN1CCN(C)CC1 ZINC000174292344 488848501 /nfs/dbraw/zinc/84/85/01/488848501.db2.gz NUABXLTUTJFOMJ-ROUUACIJSA-N 1 3 351.539 0.997 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000176013648 488857061 /nfs/dbraw/zinc/85/70/61/488857061.db2.gz HTMXGOLJJSDLLT-WMZOPIPTSA-N 1 3 354.539 0.779 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCO1 ZINC000365473338 489079070 /nfs/dbraw/zinc/07/90/70/489079070.db2.gz ZXTKVPYTVIIKRV-IXDOHACOSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCO1 ZINC000365473338 489079071 /nfs/dbraw/zinc/07/90/71/489079071.db2.gz ZXTKVPYTVIIKRV-IXDOHACOSA-N 1 3 354.495 0.650 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298783 489088783 /nfs/dbraw/zinc/08/87/83/489088783.db2.gz HPKVNYGUGLDDAY-CVEARBPZSA-N 1 3 366.506 0.108 20 0 FCADHO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000289875593 489099636 /nfs/dbraw/zinc/09/96/36/489099636.db2.gz LXQADADDEHTCAW-KRWDZBQOSA-N 1 3 362.474 0.331 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c2ccccc2O1 ZINC000366173954 489154919 /nfs/dbraw/zinc/15/49/19/489154919.db2.gz NHMQRVYTSDYJBH-CVEARBPZSA-N 1 3 374.485 0.752 20 0 FCADHO CN(C[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)C1CC1 ZINC000555136358 491239532 /nfs/dbraw/zinc/23/95/32/491239532.db2.gz VSXXZVGAVOEGHA-LJQANCHMSA-N 1 3 360.502 0.619 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000331449711 489213240 /nfs/dbraw/zinc/21/32/40/489213240.db2.gz YZFPJJBYEFCKHJ-PMPSAXMXSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331449711 489213241 /nfs/dbraw/zinc/21/32/41/489213241.db2.gz YZFPJJBYEFCKHJ-PMPSAXMXSA-N 1 3 350.507 0.966 20 0 FCADHO CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000332776110 489228888 /nfs/dbraw/zinc/22/88/88/489228888.db2.gz FGOWAPIYRGEEAL-HOTGVXAUSA-N 1 3 372.535 0.179 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)CC1 ZINC000332779374 489229473 /nfs/dbraw/zinc/22/94/73/489229473.db2.gz QNPSFVDZDZMMGC-ZHALLVOQSA-N 1 3 353.507 0.839 20 0 FCADHO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCN(C)C ZINC000563404588 491242786 /nfs/dbraw/zinc/24/27/86/491242786.db2.gz YNBUSCLLHRWIHH-SOLBZPMBSA-N 1 3 360.502 0.937 20 0 FCADHO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCN(C)C ZINC000563404588 491242788 /nfs/dbraw/zinc/24/27/88/491242788.db2.gz YNBUSCLLHRWIHH-SOLBZPMBSA-N 1 3 360.502 0.937 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000298034888 489280379 /nfs/dbraw/zinc/28/03/79/489280379.db2.gz ODLCSBUCBKIEGL-INIZCTEOSA-N 1 3 364.490 0.970 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000298034888 489280381 /nfs/dbraw/zinc/28/03/81/489280381.db2.gz ODLCSBUCBKIEGL-INIZCTEOSA-N 1 3 364.490 0.970 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000283704965 489293674 /nfs/dbraw/zinc/29/36/74/489293674.db2.gz IUDGIPHVAGOKJF-UHFFFAOYSA-N 1 3 360.502 0.660 20 0 FCADHO CN1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000370250161 489334852 /nfs/dbraw/zinc/33/48/52/489334852.db2.gz GUDYMENPMUXPTB-QGZVFWFLSA-N 1 3 352.523 0.772 20 0 FCADHO CN1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000370250161 489334854 /nfs/dbraw/zinc/33/48/54/489334854.db2.gz GUDYMENPMUXPTB-QGZVFWFLSA-N 1 3 352.523 0.772 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000563459818 491249288 /nfs/dbraw/zinc/24/92/88/491249288.db2.gz ZHKHEPSEJJQXJM-MSOLQXFVSA-N 1 3 358.486 0.615 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000371021575 489438832 /nfs/dbraw/zinc/43/88/32/489438832.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 1 3 353.511 0.175 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000371021575 489438836 /nfs/dbraw/zinc/43/88/36/489438836.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 1 3 353.511 0.175 20 0 FCADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000287041526 489454811 /nfs/dbraw/zinc/45/48/11/489454811.db2.gz LCNZYEOVVQZTQU-UHFFFAOYSA-N 1 3 350.463 0.263 20 0 FCADHO C[C@@H](CN(C)C)NC(=O)Cc1ccc(CC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000287229183 489471287 /nfs/dbraw/zinc/47/12/87/489471287.db2.gz PEMLQKUGARSDKV-HOTGVXAUSA-N 1 3 362.518 0.904 20 0 FCADHO CN(C)C1(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000563581506 491256200 /nfs/dbraw/zinc/25/62/00/491256200.db2.gz QAVWOXDZTQNYFA-LJQANCHMSA-N 1 3 371.529 0.775 20 0 FCADHO COC(=O)CSCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000371551247 489487875 /nfs/dbraw/zinc/48/78/75/489487875.db2.gz UHLLSOMUSUIYKA-UHFFFAOYSA-N 1 3 372.535 0.750 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423128124 489495653 /nfs/dbraw/zinc/49/56/53/489495653.db2.gz KEXDFZIKHLPPPB-INIZCTEOSA-N 1 3 356.511 0.389 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423135086 489496327 /nfs/dbraw/zinc/49/63/27/489496327.db2.gz SLUUKRAGYMXIJZ-SJORKVTESA-N 1 3 352.523 0.881 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)o1 ZINC000423172947 489499877 /nfs/dbraw/zinc/49/98/77/489499877.db2.gz WBOYPQZZLKRCNS-SFHVURJKSA-N 1 3 350.463 0.676 20 0 FCADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423175298 489500404 /nfs/dbraw/zinc/50/04/04/489500404.db2.gz DMXPOPJYPFIUBV-HNNXBMFYSA-N 1 3 354.520 0.883 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423196030 489501372 /nfs/dbraw/zinc/50/13/72/489501372.db2.gz UJIIQEJZDRBCQQ-CALCHBBNSA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423202240 489502179 /nfs/dbraw/zinc/50/21/79/489502179.db2.gz QKDGVABYBDDYHX-KDURUIRLSA-N 1 3 372.513 0.687 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423219444 489504690 /nfs/dbraw/zinc/50/46/90/489504690.db2.gz WSOXYJGJYDDOFC-HZPDHXFCSA-N 1 3 354.495 0.143 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423230789 489505674 /nfs/dbraw/zinc/50/56/74/489505674.db2.gz KCKUJECSNVXZDK-IBGZPJMESA-N 1 3 372.513 0.974 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423260668 489508365 /nfs/dbraw/zinc/50/83/65/489508365.db2.gz HZGNJPOZAINMAY-CRAIPNDOSA-N 1 3 358.486 0.915 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415371710 489515971 /nfs/dbraw/zinc/51/59/71/489515971.db2.gz FOFYYOPTLBRUOW-MRXNPFEDSA-N 1 3 359.474 0.635 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)ccc1OCCN(C)C ZINC000415447078 489521894 /nfs/dbraw/zinc/52/18/94/489521894.db2.gz UBWNIKZCIGTNFH-OAHLLOKOSA-N 1 3 350.463 0.973 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000415610093 489536909 /nfs/dbraw/zinc/53/69/09/489536909.db2.gz WTZKLELETWBKDL-LJQANCHMSA-N 1 3 360.458 0.778 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415675321 489540874 /nfs/dbraw/zinc/54/08/74/489540874.db2.gz PYKFNSSCIXFCHK-IYBDPMFKSA-N 1 3 371.485 0.445 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1CN(C)C ZINC000415727290 489546682 /nfs/dbraw/zinc/54/66/82/489546682.db2.gz QEMIKWQCZOMELK-GOSISDBHSA-N 1 3 373.501 0.501 20 0 FCADHO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415864023 489561272 /nfs/dbraw/zinc/56/12/72/489561272.db2.gz XXELRFJFBIYZMB-SFHVURJKSA-N 1 3 373.501 0.631 20 0 FCADHO CN(C)C1(CNC(=O)c2cncc(C(=O)NCC3([NH+](C)C)CC3)c2)CC1 ZINC000416307745 489581850 /nfs/dbraw/zinc/58/18/50/489581850.db2.gz MHXMEHFFICCLDK-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO COc1cc(NC(=O)[C@@H]2CN3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000416335666 489583984 /nfs/dbraw/zinc/58/39/84/489583984.db2.gz WCJYUSQXOTVHBD-INIZCTEOSA-N 1 3 362.474 0.964 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N(C)C1CC1 ZINC000427087318 489593771 /nfs/dbraw/zinc/59/37/71/489593771.db2.gz NRMZKFMSMXVHSS-ZDUSSCGKSA-N 1 3 362.478 0.687 20 0 FCADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000570825517 491267441 /nfs/dbraw/zinc/26/74/41/491267441.db2.gz USCXBGHLMVQJFA-UHFFFAOYSA-N 1 3 364.494 0.117 20 0 FCADHO CC(C)(CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCC1 ZINC000416820564 489630403 /nfs/dbraw/zinc/63/04/03/489630403.db2.gz CHTOSLQNBMFZGM-OAHLLOKOSA-N 1 3 353.511 0.747 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000416969698 489637269 /nfs/dbraw/zinc/63/72/69/489637269.db2.gz LDCSATFVFAJXLV-QGZVFWFLSA-N 1 3 350.463 0.805 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000416970734 489637466 /nfs/dbraw/zinc/63/74/66/489637466.db2.gz OAAMRXPXMBRTMU-QGZVFWFLSA-N 1 3 350.463 0.886 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417012683 489638740 /nfs/dbraw/zinc/63/87/40/489638740.db2.gz ATKHEGADKIBVES-HZPDHXFCSA-N 1 3 353.511 0.890 20 0 FCADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417090918 489640545 /nfs/dbraw/zinc/64/05/45/489640545.db2.gz ZHSGUCQYGZMEEW-JKSUJKDBSA-N 1 3 355.527 0.992 20 0 FCADHO COCCN(C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417091716 489641057 /nfs/dbraw/zinc/64/10/57/489641057.db2.gz KMENVEJIOLQTIO-IRXDYDNUSA-N 1 3 356.511 0.883 20 0 FCADHO C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000417312621 489648084 /nfs/dbraw/zinc/64/80/84/489648084.db2.gz NXYBSWLUVUBRRW-HOTGVXAUSA-N 1 3 353.511 0.603 20 0 FCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417360757 489649703 /nfs/dbraw/zinc/64/97/03/489649703.db2.gz BJODAFCNMFCROT-IRXDYDNUSA-N 1 3 360.506 0.972 20 0 FCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417363642 489649740 /nfs/dbraw/zinc/64/97/40/489649740.db2.gz AUPBRSUSPGMPMB-DLBZAZTESA-N 1 3 360.506 0.986 20 0 FCADHO NCC(F)(F)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417395723 489651004 /nfs/dbraw/zinc/65/10/04/489651004.db2.gz WNXWSEIVNBJWLD-UHFFFAOYSA-N 1 3 356.421 0.487 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417419658 489651669 /nfs/dbraw/zinc/65/16/69/489651669.db2.gz DGKXPMWGAYTAPA-HOTGVXAUSA-N 1 3 353.511 0.618 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417432789 489652596 /nfs/dbraw/zinc/65/25/96/489652596.db2.gz UBDVAORIXLSELH-OAHLLOKOSA-N 1 3 353.511 0.890 20 0 FCADHO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1=O ZINC000428543958 489652881 /nfs/dbraw/zinc/65/28/81/489652881.db2.gz IWBWCWZCPYSBOU-SJLPKXTDSA-N 1 3 374.485 0.602 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1=O ZINC000428543957 489653005 /nfs/dbraw/zinc/65/30/05/489653005.db2.gz IWBWCWZCPYSBOU-FUHWJXTLSA-N 1 3 374.485 0.602 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417433075 489653542 /nfs/dbraw/zinc/65/35/42/489653542.db2.gz UWSUKCIHBPNQGV-YVSFHVDLSA-N 1 3 365.522 0.698 20 0 FCADHO C[C@@H]1CN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)CN1 ZINC000417449767 489654745 /nfs/dbraw/zinc/65/47/45/489654745.db2.gz ANIAPBZDYMADRK-HUUCEWRRSA-N 1 3 361.490 0.870 20 0 FCADHO COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000417459454 489655144 /nfs/dbraw/zinc/65/51/44/489655144.db2.gz MSJOHFAWTDPQFY-PIIMJCKOSA-N 1 3 362.474 0.661 20 0 FCADHO COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000417497468 489656228 /nfs/dbraw/zinc/65/62/28/489656228.db2.gz BBTGARGSKRGLBL-QZTJIDSGSA-N 1 3 364.490 0.984 20 0 FCADHO COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000417497468 489656232 /nfs/dbraw/zinc/65/62/32/489656232.db2.gz BBTGARGSKRGLBL-QZTJIDSGSA-N 1 3 364.490 0.984 20 0 FCADHO CCN(CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000417481883 489656295 /nfs/dbraw/zinc/65/62/95/489656295.db2.gz IEAHMXUNRMZTCE-NVXWUHKLSA-N 1 3 365.522 0.761 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417582422 489658767 /nfs/dbraw/zinc/65/87/67/489658767.db2.gz IAUWCVFCIGADGA-HOTGVXAUSA-N 1 3 353.511 0.890 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCN1C ZINC000417761486 489664627 /nfs/dbraw/zinc/66/46/27/489664627.db2.gz ZFAUYZSTGIIGFF-JHJVBQTASA-N 1 3 351.417 0.604 20 0 FCADHO COC[C@]1(CNC(=O)NCc2ccnc(OCCN(C)C)c2)CCC[NH2+]1 ZINC000417942895 489672448 /nfs/dbraw/zinc/67/24/48/489672448.db2.gz CAFBXSWSWDURPD-GOSISDBHSA-N 1 3 365.478 0.590 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458193288 489673358 /nfs/dbraw/zinc/67/33/58/489673358.db2.gz FPGCPXRHDCMVGD-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458193288 489673362 /nfs/dbraw/zinc/67/33/62/489673362.db2.gz FPGCPXRHDCMVGD-DLBZAZTESA-N 1 3 367.538 0.960 20 0 FCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418290452 489688555 /nfs/dbraw/zinc/68/85/55/489688555.db2.gz RLBBMWLWXGUEFT-UHFFFAOYSA-N 1 3 368.570 0.341 20 0 FCADHO CSC1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CC[NH+](C)CC1 ZINC000458788621 489703053 /nfs/dbraw/zinc/70/30/53/489703053.db2.gz LZJBEWDSHOKEQT-HNNXBMFYSA-N 1 3 358.552 0.960 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000418549660 489706199 /nfs/dbraw/zinc/70/61/99/489706199.db2.gz GIDPSKSWKIXDPW-QGZVFWFLSA-N 1 3 359.474 0.819 20 0 FCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418636574 489713766 /nfs/dbraw/zinc/71/37/66/489713766.db2.gz MJLLIYLXVAVJAP-AEFFLSMTSA-N 1 3 373.501 0.903 20 0 FCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418638173 489714662 /nfs/dbraw/zinc/71/46/62/489714662.db2.gz OJKWBKCMHRIEQC-LJQANCHMSA-N 1 3 369.554 0.814 20 0 FCADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000418715150 489719858 /nfs/dbraw/zinc/71/98/58/489719858.db2.gz IGDNGBUVUAZFCI-CVEARBPZSA-N 1 3 351.495 0.454 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125998 489719867 /nfs/dbraw/zinc/71/98/67/489719867.db2.gz YKUBDBCJQHIPSX-XHSDSOJGSA-N 1 3 353.511 0.698 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000459125998 489719871 /nfs/dbraw/zinc/71/98/71/489719871.db2.gz YKUBDBCJQHIPSX-XHSDSOJGSA-N 1 3 353.511 0.698 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418738038 489721180 /nfs/dbraw/zinc/72/11/80/489721180.db2.gz WQYXHVAICNXOPI-PVAVHDDUSA-N 1 3 350.438 0.806 20 0 FCADHO NS(=O)(=O)c1cccc(NC(=O)CCN2CCCC[C@@H]2CC[NH3+])c1 ZINC000489861909 489731578 /nfs/dbraw/zinc/73/15/78/489731578.db2.gz UEQBLJSKYDQDCG-CQSZACIVSA-N 1 3 354.476 0.866 20 0 FCADHO C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CCCC1 ZINC000418830680 489743116 /nfs/dbraw/zinc/74/31/16/489743116.db2.gz JOVQZFSFORGDJP-DLBZAZTESA-N 1 3 358.486 0.930 20 0 FCADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600324 489750722 /nfs/dbraw/zinc/75/07/22/489750722.db2.gz HLVXVYYIGDZFCE-HIFRSBDPSA-N 1 3 364.515 0.808 20 0 FCADHO CCCN(C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000418847500 489754202 /nfs/dbraw/zinc/75/42/02/489754202.db2.gz JIGMNVRWOOVKLO-MSOLQXFVSA-N 1 3 360.502 0.876 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000418849808 489755290 /nfs/dbraw/zinc/75/52/90/489755290.db2.gz NIUWHSSVLWMFAK-BZSNNMDCSA-N 1 3 360.502 0.909 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000418855229 489758747 /nfs/dbraw/zinc/75/87/47/489758747.db2.gz ULQPMDXLAFUGBR-SFHVURJKSA-N 1 3 360.502 0.734 20 0 FCADHO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(C[NH3+])CC1 ZINC000430668481 489763116 /nfs/dbraw/zinc/76/31/16/489763116.db2.gz RPJNHUMLFDKKCH-CYBMUJFWSA-N 1 3 368.503 0.052 20 0 FCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000459899290 489785090 /nfs/dbraw/zinc/78/50/90/489785090.db2.gz QDGIMGUPUPAECV-IRXDYDNUSA-N 1 3 367.538 0.023 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@@H+]1C ZINC000418942235 489798371 /nfs/dbraw/zinc/79/83/71/489798371.db2.gz ASEKDJQJENSZHO-VDNDLQMASA-N 1 3 362.449 0.678 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[N@H+]1C ZINC000418942235 489798374 /nfs/dbraw/zinc/79/83/74/489798374.db2.gz ASEKDJQJENSZHO-VDNDLQMASA-N 1 3 362.449 0.678 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418942766 489798653 /nfs/dbraw/zinc/79/86/53/489798653.db2.gz XUUBMPNXYUVSEE-MRXNPFEDSA-N 1 3 354.495 0.237 20 0 FCADHO CCOC(=O)[C@@](C)(O)CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000475020407 489802651 /nfs/dbraw/zinc/80/26/51/489802651.db2.gz SGPYYGOKVNBHIM-IBGZPJMESA-N 1 3 371.522 0.717 20 0 FCADHO C[C@H]1[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCN1C ZINC000431459616 489805727 /nfs/dbraw/zinc/80/57/27/489805727.db2.gz OOQGTEJTKQBDNM-JKSUJKDBSA-N 1 3 353.511 0.761 20 0 FCADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418970503 489807464 /nfs/dbraw/zinc/80/74/64/489807464.db2.gz WPDNYQFLUFMTQT-QGZVFWFLSA-N 1 3 374.485 0.646 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@@H+]1C ZINC000418970103 489807650 /nfs/dbraw/zinc/80/76/50/489807650.db2.gz WCHDMDIFSBTAKO-LNCBFAARSA-N 1 3 362.449 0.678 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[N@H+]1C ZINC000418970103 489807653 /nfs/dbraw/zinc/80/76/53/489807653.db2.gz WCHDMDIFSBTAKO-LNCBFAARSA-N 1 3 362.449 0.678 20 0 FCADHO CN(CCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000419003653 489814353 /nfs/dbraw/zinc/81/43/53/489814353.db2.gz QQSVDVMTLQIPOQ-MSOLQXFVSA-N 1 3 358.486 0.693 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419020434 489820925 /nfs/dbraw/zinc/82/09/25/489820925.db2.gz FTZPYEFDYBSUBD-HUUCEWRRSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419023058 489821328 /nfs/dbraw/zinc/82/13/28/489821328.db2.gz IZFHBDGRLQBCBZ-NPJQDHAYSA-N 1 3 368.522 0.698 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419023058 489821330 /nfs/dbraw/zinc/82/13/30/489821330.db2.gz IZFHBDGRLQBCBZ-NPJQDHAYSA-N 1 3 368.522 0.698 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419023162 489821532 /nfs/dbraw/zinc/82/15/32/489821532.db2.gz JFJVFYPTBLZTRB-QEOTZNIISA-N 1 3 352.523 0.973 20 0 FCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419031081 489825223 /nfs/dbraw/zinc/82/52/23/489825223.db2.gz IJCHWWOIHSUUOQ-HNNXBMFYSA-N 1 3 368.547 0.662 20 0 FCADHO CCn1ncnc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000475419325 489825386 /nfs/dbraw/zinc/82/53/86/489825386.db2.gz FGKJOGRKADYXSW-OAHLLOKOSA-N 1 3 351.499 0.856 20 0 FCADHO CCn1ncnc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000475419325 489825391 /nfs/dbraw/zinc/82/53/91/489825391.db2.gz FGKJOGRKADYXSW-OAHLLOKOSA-N 1 3 351.499 0.856 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419034018 489827407 /nfs/dbraw/zinc/82/74/07/489827407.db2.gz YYECRCSKLMMUCB-ALYAQQCSSA-N 1 3 352.523 0.912 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419038601 489829334 /nfs/dbraw/zinc/82/93/34/489829334.db2.gz FSKBYSQJQNOONL-UHFFFAOYSA-N 1 3 368.522 0.770 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460082169 489847591 /nfs/dbraw/zinc/84/75/91/489847591.db2.gz ZVAOGUJHVSSPNQ-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000460082169 489847593 /nfs/dbraw/zinc/84/75/93/489847593.db2.gz ZVAOGUJHVSSPNQ-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419080887 489848870 /nfs/dbraw/zinc/84/88/70/489848870.db2.gz QMWKTKZWIARYBR-MWDXBVQZSA-N 1 3 350.507 0.871 20 0 FCADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419099491 489855271 /nfs/dbraw/zinc/85/52/71/489855271.db2.gz DUXCCGXVTRWJJC-IRXDYDNUSA-N 1 3 358.486 0.881 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261783 489859312 /nfs/dbraw/zinc/85/93/12/489859312.db2.gz RQJXEAHFOBLYRW-AZUAARDMSA-N 1 3 360.502 0.917 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261783 489859317 /nfs/dbraw/zinc/85/93/17/489859317.db2.gz RQJXEAHFOBLYRW-AZUAARDMSA-N 1 3 360.502 0.917 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000460277981 489862056 /nfs/dbraw/zinc/86/20/56/489862056.db2.gz UKXIAHHZDYNHFD-NUJGCVRESA-N 1 3 354.495 0.120 20 0 FCADHO CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000460336675 489863168 /nfs/dbraw/zinc/86/31/68/489863168.db2.gz UZWDYAXBWZRKGV-SFHVURJKSA-N 1 3 369.554 0.766 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000419123042 489867229 /nfs/dbraw/zinc/86/72/29/489867229.db2.gz OUWLTDWGQWUZJW-BZUAXINKSA-N 1 3 354.495 0.332 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433166971 489869796 /nfs/dbraw/zinc/86/97/96/489869796.db2.gz YYMBTXXRYDSTGT-QGZVFWFLSA-N 1 3 353.555 0.580 20 0 FCADHO C[C@H]1CN(CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000494127616 489870324 /nfs/dbraw/zinc/87/03/24/489870324.db2.gz MVFGGHJBJIWZLS-IRXDYDNUSA-N 1 3 363.506 0.967 20 0 FCADHO COc1ccnc(N2CCN(C(=O)CCCN3CCC([NH3+])CC3)CC2)c1 ZINC000433176288 489870942 /nfs/dbraw/zinc/87/09/42/489870942.db2.gz OFTKCBBIISMOGG-UHFFFAOYSA-N 1 3 361.490 0.942 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000494192836 489874355 /nfs/dbraw/zinc/87/43/55/489874355.db2.gz UJRPLHDLXXKAKY-CVEARBPZSA-N 1 3 364.494 0.944 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420025339 489883821 /nfs/dbraw/zinc/88/38/21/489883821.db2.gz BKAUGFKKEYIYHT-ZNMIVQPWSA-N 1 3 352.479 0.302 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027122 489884797 /nfs/dbraw/zinc/88/47/97/489884797.db2.gz CUBBOWZXJRAFAF-GOEBONIOSA-N 1 3 368.522 0.796 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420039853 489889814 /nfs/dbraw/zinc/88/98/14/489889814.db2.gz OGZFDBIHTZOHAD-HLLBOEOZSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420039853 489889817 /nfs/dbraw/zinc/88/98/17/489889817.db2.gz OGZFDBIHTZOHAD-HLLBOEOZSA-N 1 3 350.507 0.953 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420092475 489909405 /nfs/dbraw/zinc/90/94/05/489909405.db2.gz GDGJENIMAHIXSK-CRAIPNDOSA-N 1 3 354.495 0.062 20 0 FCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000476740382 489913280 /nfs/dbraw/zinc/91/32/80/489913280.db2.gz BHJCKHCRWUKMRO-ZDUSSCGKSA-N 1 3 352.483 0.666 20 0 FCADHO C[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000420112025 489916678 /nfs/dbraw/zinc/91/66/78/489916678.db2.gz XIRDKYSEDYFOPQ-APWZRJJASA-N 1 3 350.507 0.969 20 0 FCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000420112355 489916827 /nfs/dbraw/zinc/91/68/27/489916827.db2.gz ATUPKFPMJDTVDJ-HOTGVXAUSA-N 1 3 367.538 0.247 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132890 489924659 /nfs/dbraw/zinc/92/46/59/489924659.db2.gz SQPXQLRQPJCLBP-DZGCQCFKSA-N 1 3 352.504 0.895 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000420134462 489924816 /nfs/dbraw/zinc/92/48/16/489924816.db2.gz USVPXHQPDWSFOS-GDBMZVCRSA-N 1 3 364.465 0.973 20 0 FCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000420153569 489933368 /nfs/dbraw/zinc/93/33/68/489933368.db2.gz ZZJSNHRLDKSGAC-CRAIPNDOSA-N 1 3 373.501 0.871 20 0 FCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420160364 489936713 /nfs/dbraw/zinc/93/67/13/489936713.db2.gz UPUYUAMEQZWMEO-PMPSAXMXSA-N 1 3 368.522 0.448 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000477082499 489939480 /nfs/dbraw/zinc/93/94/80/489939480.db2.gz ASVUAYKIHLYFHX-UHFFFAOYSA-N 1 3 370.538 0.879 20 0 FCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420173317 489940104 /nfs/dbraw/zinc/94/01/04/489940104.db2.gz XASURNRGZVUKHC-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420196691 489948266 /nfs/dbraw/zinc/94/82/66/489948266.db2.gz IVKAGAOCGRPBPC-KRWDZBQOSA-N 1 3 362.474 0.201 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420197102 489948313 /nfs/dbraw/zinc/94/83/13/489948313.db2.gz LGEGIWSBHKPXRL-RHSMWYFYSA-N 1 3 364.465 0.960 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000420198455 489949218 /nfs/dbraw/zinc/94/92/18/489949218.db2.gz CKFBDMHFCWAOOE-WRQOLXDDSA-N 1 3 350.507 0.727 20 0 FCADHO CN(CC(F)F)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420212745 489953709 /nfs/dbraw/zinc/95/37/09/489953709.db2.gz XWXVZGPPDHUNNM-UHFFFAOYSA-N 1 3 368.428 0.820 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867506 489963129 /nfs/dbraw/zinc/96/31/29/489963129.db2.gz FDILKAKBEJKWEW-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000434867506 489963131 /nfs/dbraw/zinc/96/31/31/489963131.db2.gz FDILKAKBEJKWEW-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000477625386 489979464 /nfs/dbraw/zinc/97/94/64/489979464.db2.gz IJUOCMHSFAJDFV-INIZCTEOSA-N 1 3 370.538 0.696 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000420453672 489979995 /nfs/dbraw/zinc/97/99/95/489979995.db2.gz DDQXUJJFNFJALM-CQSZACIVSA-N 1 3 357.524 0.728 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000377931440 489981642 /nfs/dbraw/zinc/98/16/42/489981642.db2.gz JGKBXAFQVZFIFM-KURKYZTESA-N 1 3 368.522 0.992 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420467410 489981952 /nfs/dbraw/zinc/98/19/52/489981952.db2.gz XFJWTZUXAHJDJJ-GJZGRUSLSA-N 1 3 357.524 0.857 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000477655398 489982924 /nfs/dbraw/zinc/98/29/24/489982924.db2.gz XIFMLNXZTDMGNY-INIZCTEOSA-N 1 3 368.522 0.308 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000477655398 489982929 /nfs/dbraw/zinc/98/29/29/489982929.db2.gz XIFMLNXZTDMGNY-INIZCTEOSA-N 1 3 368.522 0.308 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477683517 489984490 /nfs/dbraw/zinc/98/44/90/489984490.db2.gz OQPWHOGVVPOIOO-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477683517 489984491 /nfs/dbraw/zinc/98/44/91/489984491.db2.gz OQPWHOGVVPOIOO-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000477698170 489985819 /nfs/dbraw/zinc/98/58/19/489985819.db2.gz FYYKERZDISMZMM-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000477698170 489985822 /nfs/dbraw/zinc/98/58/22/489985822.db2.gz FYYKERZDISMZMM-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCCOCC1 ZINC000436507790 490007611 /nfs/dbraw/zinc/00/76/11/490007611.db2.gz AXRYMSKQJICXKM-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCCOCC1 ZINC000436507790 490007613 /nfs/dbraw/zinc/00/76/13/490007613.db2.gz AXRYMSKQJICXKM-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCN1CCCOCC1 ZINC000436507790 490007616 /nfs/dbraw/zinc/00/76/16/490007616.db2.gz AXRYMSKQJICXKM-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO CN(C)c1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc(=O)[n-]1 ZINC000463335313 490011217 /nfs/dbraw/zinc/01/12/17/490011217.db2.gz KWAMUWLAQKMLNN-UHFFFAOYSA-N 1 3 352.483 0.594 20 0 FCADHO CN(C)CCn1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000438695122 490036980 /nfs/dbraw/zinc/03/69/80/490036980.db2.gz KGIVBDKHMOAPSF-UHFFFAOYSA-N 1 3 364.494 1.211 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000420985568 490040091 /nfs/dbraw/zinc/04/00/91/490040091.db2.gz WIBVTAPXSNLDNV-UHFFFAOYSA-N 1 3 365.566 0.643 20 0 FCADHO CCN1CCC([N@H+]2CCCN(CCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000420985568 490040094 /nfs/dbraw/zinc/04/00/94/490040094.db2.gz WIBVTAPXSNLDNV-UHFFFAOYSA-N 1 3 365.566 0.643 20 0 FCADHO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443061172 490066049 /nfs/dbraw/zinc/06/60/49/490066049.db2.gz RAQCYZOLSZBZBW-MRXNPFEDSA-N 1 3 367.538 0.106 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000519785876 490083809 /nfs/dbraw/zinc/08/38/09/490083809.db2.gz DXLBJNLAHNFGMW-HNNXBMFYSA-N 1 3 350.507 0.943 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000506429928 490090543 /nfs/dbraw/zinc/09/05/43/490090543.db2.gz PQQFSZZRTOXTDE-GOSISDBHSA-N 1 3 372.513 0.754 20 0 FCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)CC1 ZINC000479670463 490114531 /nfs/dbraw/zinc/11/45/31/490114531.db2.gz CPIINDOHMIZWLV-QZTJIDSGSA-N 1 3 369.554 0.501 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748548 490141585 /nfs/dbraw/zinc/14/15/85/490141585.db2.gz UBZSVZKPZPCNKY-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(=O)N(C)C ZINC000465748548 490141593 /nfs/dbraw/zinc/14/15/93/490141593.db2.gz UBZSVZKPZPCNKY-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000465852913 490146397 /nfs/dbraw/zinc/14/63/97/490146397.db2.gz XTRXHPDICZKTMQ-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000465852913 490146404 /nfs/dbraw/zinc/14/64/04/490146404.db2.gz XTRXHPDICZKTMQ-JKSUJKDBSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556205410 491303106 /nfs/dbraw/zinc/30/31/06/491303106.db2.gz OWICLGHWSSVPHA-YOEHRIQHSA-N 1 3 356.536 0.388 20 0 FCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556205410 491303107 /nfs/dbraw/zinc/30/31/07/491303107.db2.gz OWICLGHWSSVPHA-YOEHRIQHSA-N 1 3 356.536 0.388 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950509 490155084 /nfs/dbraw/zinc/15/50/84/490155084.db2.gz OVHHTSFXZKVBGV-CVEARBPZSA-N 1 3 353.511 0.747 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465950509 490155091 /nfs/dbraw/zinc/15/50/91/490155091.db2.gz OVHHTSFXZKVBGV-CVEARBPZSA-N 1 3 353.511 0.747 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000466033509 490160693 /nfs/dbraw/zinc/16/06/93/490160693.db2.gz LDWJCNNWGCVCLO-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000466033509 490160700 /nfs/dbraw/zinc/16/07/00/490160700.db2.gz LDWJCNNWGCVCLO-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000521273828 490244159 /nfs/dbraw/zinc/24/41/59/490244159.db2.gz IEQDTCNEIWSYQF-MOPGFXCFSA-N 1 3 372.513 0.878 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000422370339 490282262 /nfs/dbraw/zinc/28/22/62/490282262.db2.gz UHSBFGDGLHMUIF-GOSISDBHSA-N 1 3 373.501 0.967 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000521624433 490283445 /nfs/dbraw/zinc/28/34/45/490283445.db2.gz AQMACGHOJGIEOJ-CABCVRRESA-N 1 3 355.508 0.292 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422374009 490285928 /nfs/dbraw/zinc/28/59/28/490285928.db2.gz CEEMCSMASCWNIE-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422374009 490285939 /nfs/dbraw/zinc/28/59/39/490285939.db2.gz CEEMCSMASCWNIE-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483331386 490309529 /nfs/dbraw/zinc/30/95/29/490309529.db2.gz FUHZCZNQQCOMNA-ZACQAIPSSA-N 1 3 368.522 0.545 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000571642252 491320234 /nfs/dbraw/zinc/32/02/34/491320234.db2.gz KHAOXFBLYLTKOK-KBPBESRZSA-N 1 3 352.454 0.958 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000422497014 490361577 /nfs/dbraw/zinc/36/15/77/490361577.db2.gz UYLXPNDSBULAGX-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000422497014 490361584 /nfs/dbraw/zinc/36/15/84/490361584.db2.gz UYLXPNDSBULAGX-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCN(C(C)=O)C3)CC2)CC1 ZINC000571654930 491321128 /nfs/dbraw/zinc/32/11/28/491321128.db2.gz UHZZKZKNAZZUFF-KRWDZBQOSA-N 1 3 350.507 0.920 20 0 FCADHO COC(=O)CN1CCC(NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000571689782 491323264 /nfs/dbraw/zinc/32/32/64/491323264.db2.gz UPYIAJSRCNVQNV-UHFFFAOYSA-N 1 3 350.463 0.749 20 0 FCADHO C[C@H](Cc1ccsc1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556660089 491326356 /nfs/dbraw/zinc/32/63/56/491326356.db2.gz FCHHQKDAVFLRBO-CQSZACIVSA-N 1 3 354.520 0.747 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(-n4ccnc4)nn3)CC2)CC1 ZINC000523125069 490444358 /nfs/dbraw/zinc/44/43/58/490444358.db2.gz IEFWLCAVADGURS-UHFFFAOYSA-N 1 3 369.473 0.951 20 0 FCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210429 490448552 /nfs/dbraw/zinc/44/85/52/490448552.db2.gz ZEQABIPVQIVJFW-IAGOWNOFSA-N 1 3 367.538 0.959 20 0 FCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523210429 490448555 /nfs/dbraw/zinc/44/85/55/490448555.db2.gz ZEQABIPVQIVJFW-IAGOWNOFSA-N 1 3 367.538 0.959 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000556676591 491327056 /nfs/dbraw/zinc/32/70/56/491327056.db2.gz DJLTWPWRICFYKF-HNNXBMFYSA-N 1 3 366.481 0.997 20 0 FCADHO CCN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H](C)C1=O ZINC000548283711 490456875 /nfs/dbraw/zinc/45/68/75/490456875.db2.gz NXDHOJAQZXQPQX-HNNXBMFYSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000484822857 490469984 /nfs/dbraw/zinc/46/99/84/490469984.db2.gz QXOUQTFABXPGJC-UHFFFAOYSA-N 1 3 364.494 0.621 20 0 FCADHO CN1CC[C@H]2CN(c3cc(N4C[C@H]5CC[N@H+](C)[C@H]5C4)nc4ncnn43)C[C@H]21 ZINC000450777540 490488617 /nfs/dbraw/zinc/48/86/17/490488617.db2.gz KBHDAJCEZNJDCG-FXUDXRNXSA-N 1 3 368.489 0.405 20 0 FCADHO CN1CC[C@H]2CN(c3cc(N4C[C@H]5CC[N@@H+](C)[C@H]5C4)nc4ncnn43)C[C@H]21 ZINC000450777540 490488621 /nfs/dbraw/zinc/48/86/21/490488621.db2.gz KBHDAJCEZNJDCG-FXUDXRNXSA-N 1 3 368.489 0.405 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000556721117 491330372 /nfs/dbraw/zinc/33/03/72/491330372.db2.gz FCUZUBHIVLHIMF-UHFFFAOYSA-N 1 3 350.467 0.741 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000523776746 490496136 /nfs/dbraw/zinc/49/61/36/490496136.db2.gz PHKPEVCJLHBNGT-MRXNPFEDSA-N 1 3 367.538 0.912 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000523776746 490496141 /nfs/dbraw/zinc/49/61/41/490496141.db2.gz PHKPEVCJLHBNGT-MRXNPFEDSA-N 1 3 367.538 0.912 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000500447383 490517845 /nfs/dbraw/zinc/51/78/45/490517845.db2.gz LENKFTNTQWAAJF-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000564883547 491333584 /nfs/dbraw/zinc/33/35/84/491333584.db2.gz BACYWNPJKSXNHK-DOTOQJQBSA-N 1 3 365.522 0.665 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524390678 490534723 /nfs/dbraw/zinc/53/47/23/490534723.db2.gz BKDHDZOENDCZOW-HXUWFJFHSA-N 1 3 360.502 0.377 20 0 FCADHO CN1CCN(CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524390678 490534731 /nfs/dbraw/zinc/53/47/31/490534731.db2.gz BKDHDZOENDCZOW-HXUWFJFHSA-N 1 3 360.502 0.377 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000524518719 490543074 /nfs/dbraw/zinc/54/30/74/490543074.db2.gz PLQYODXXUFFLAT-UHFFFAOYSA-N 1 3 356.511 0.849 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000524783703 490559978 /nfs/dbraw/zinc/55/99/78/490559978.db2.gz XHFAULZIBSHQJG-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000524783703 490559982 /nfs/dbraw/zinc/55/99/82/490559982.db2.gz XHFAULZIBSHQJG-HOTGVXAUSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000524783702 490560066 /nfs/dbraw/zinc/56/00/66/490560066.db2.gz XHFAULZIBSHQJG-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000524783702 490560070 /nfs/dbraw/zinc/56/00/70/490560070.db2.gz XHFAULZIBSHQJG-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000525302925 490595027 /nfs/dbraw/zinc/59/50/27/490595027.db2.gz ZNBLNHXGFUFVRZ-SJORKVTESA-N 1 3 365.522 0.844 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000525302925 490595033 /nfs/dbraw/zinc/59/50/33/490595033.db2.gz ZNBLNHXGFUFVRZ-SJORKVTESA-N 1 3 365.522 0.844 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000525686432 490618292 /nfs/dbraw/zinc/61/82/92/490618292.db2.gz SZRHUYZBNLEVKQ-LJQANCHMSA-N 1 3 365.566 0.687 20 0 FCADHO CN(C)C1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000572032348 491344276 /nfs/dbraw/zinc/34/42/76/491344276.db2.gz JZXHIGKOXVQFQU-QGZVFWFLSA-N 1 3 358.486 0.460 20 0 FCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943023 490681228 /nfs/dbraw/zinc/68/12/28/490681228.db2.gz WVPMMRBHSREMSY-NJAFHUGGSA-N 1 3 360.502 0.589 20 0 FCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943023 490681235 /nfs/dbraw/zinc/68/12/35/490681235.db2.gz WVPMMRBHSREMSY-NJAFHUGGSA-N 1 3 360.502 0.589 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000527123961 490701248 /nfs/dbraw/zinc/70/12/48/490701248.db2.gz YKNZKNYPJVICDV-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419529 490703987 /nfs/dbraw/zinc/70/39/87/490703987.db2.gz OMPNFHCUUOJUPV-APAFKAMOSA-N 1 3 355.523 0.642 20 0 FCADHO CO[C@H]1C[C@@H](CN2CCCC2)[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502419529 490703989 /nfs/dbraw/zinc/70/39/89/490703989.db2.gz OMPNFHCUUOJUPV-APAFKAMOSA-N 1 3 355.523 0.642 20 0 FCADHO CC(C)Cc1ncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000527171740 490705633 /nfs/dbraw/zinc/70/56/33/490705633.db2.gz OBXXHGXWGZADEC-UHFFFAOYSA-N 1 3 364.494 0.565 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000527374005 490720732 /nfs/dbraw/zinc/72/07/32/490720732.db2.gz NLBPKHPDKXAJTQ-UHFFFAOYSA-N 1 3 350.419 0.306 20 0 FCADHO C[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513469954 490731977 /nfs/dbraw/zinc/73/19/77/490731977.db2.gz UBISDHSYHCCHBW-INIZCTEOSA-N 1 3 369.554 0.175 20 0 FCADHO CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000539283793 490774873 /nfs/dbraw/zinc/77/48/73/490774873.db2.gz ZURZWKXNKXNAIX-QGZVFWFLSA-N 1 3 362.474 0.301 20 0 FCADHO CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000539283793 490774874 /nfs/dbraw/zinc/77/48/74/490774874.db2.gz ZURZWKXNKXNAIX-QGZVFWFLSA-N 1 3 362.474 0.301 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122223 491354704 /nfs/dbraw/zinc/35/47/04/491354704.db2.gz QHTCZRRSNWNZEH-ARFHVFGLSA-N 1 3 350.507 0.964 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000514661654 490778628 /nfs/dbraw/zinc/77/86/28/490778628.db2.gz KBXPVAPWAISKMZ-CABCVRRESA-N 1 3 360.458 0.906 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000514861879 490793757 /nfs/dbraw/zinc/79/37/57/490793757.db2.gz VKTQZMFMUOTUKE-GRDNDAEWSA-N 1 3 362.474 0.111 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000514864585 490794172 /nfs/dbraw/zinc/79/41/72/490794172.db2.gz HSVMSWUTRPRARE-AEFFLSMTSA-N 1 3 372.517 0.978 20 0 FCADHO CN1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](CN)C1 ZINC000557154453 491356975 /nfs/dbraw/zinc/35/69/75/491356975.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 1 3 359.518 0.835 20 0 FCADHO CN1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](CN)C1 ZINC000557154453 491356977 /nfs/dbraw/zinc/35/69/77/491356977.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 1 3 359.518 0.835 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515049732 490805467 /nfs/dbraw/zinc/80/54/67/490805467.db2.gz PMRYZPONRZJHCD-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000572242943 491357845 /nfs/dbraw/zinc/35/78/45/491357845.db2.gz DOHTWDJSCHZMNB-CIRFHOKZSA-N 1 3 358.486 0.961 20 0 FCADHO CC[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000515381348 490823018 /nfs/dbraw/zinc/82/30/18/490823018.db2.gz IFKKEPPTHFKQQI-ZWKOTPCHSA-N 1 3 358.486 0.808 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CCN2C1=O ZINC000515672705 490835179 /nfs/dbraw/zinc/83/51/79/490835179.db2.gz JEHVNLKEEHHRDX-KSZLIROESA-N 1 3 371.485 0.777 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783086 490839763 /nfs/dbraw/zinc/83/97/63/490839763.db2.gz ISBUYSDVJZSPHG-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000505783086 490839766 /nfs/dbraw/zinc/83/97/66/490839766.db2.gz ISBUYSDVJZSPHG-DLBZAZTESA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000505806190 490840067 /nfs/dbraw/zinc/84/00/67/490840067.db2.gz DGBAELHKSOPPTK-CVEARBPZSA-N 1 3 353.511 0.652 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000505806190 490840070 /nfs/dbraw/zinc/84/00/70/490840070.db2.gz DGBAELHKSOPPTK-CVEARBPZSA-N 1 3 353.511 0.652 20 0 FCADHO CC(C)[C@H]1CNCCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303547 490848807 /nfs/dbraw/zinc/84/88/07/490848807.db2.gz OIJXUOCYKPVZQM-HZPDHXFCSA-N 1 3 353.511 0.569 20 0 FCADHO CC(C)[C@H]1CNCCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000529303547 490848810 /nfs/dbraw/zinc/84/88/10/490848810.db2.gz OIJXUOCYKPVZQM-HZPDHXFCSA-N 1 3 353.511 0.569 20 0 FCADHO Cc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000516269156 490859267 /nfs/dbraw/zinc/85/92/67/490859267.db2.gz KXFIEUFWWGRECK-UHFFFAOYSA-N 1 3 370.519 0.225 20 0 FCADHO N[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000516766566 490877095 /nfs/dbraw/zinc/87/70/95/490877095.db2.gz NWZPJQRZCNEHGO-KRWDZBQOSA-N 1 3 350.507 0.955 20 0 FCADHO CN1CCN(c2ncc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000530249722 490895143 /nfs/dbraw/zinc/89/51/43/490895143.db2.gz YCHVSMAXJVAGQW-IBGZPJMESA-N 1 3 374.533 0.819 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000542777817 490908739 /nfs/dbraw/zinc/90/87/39/490908739.db2.gz CCWGOKQUBDSPMG-DOTOQJQBSA-N 1 3 365.522 0.665 20 0 FCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)COC3CCC([NH3+])CC3)C2)CC1 ZINC000517563574 490911967 /nfs/dbraw/zinc/91/19/67/490911967.db2.gz UXDZHWWKJDVZQA-LXPRWKDFSA-N 1 3 352.523 0.900 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000530880865 490929697 /nfs/dbraw/zinc/92/96/97/490929697.db2.gz XNFOIKDIAPQFQW-QGZVFWFLSA-N 1 3 367.538 0.866 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000518246579 490934572 /nfs/dbraw/zinc/93/45/72/490934572.db2.gz ODGNMPKMFGXDPQ-KRWDZBQOSA-N 1 3 370.538 0.650 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000518246579 490934573 /nfs/dbraw/zinc/93/45/73/490934573.db2.gz ODGNMPKMFGXDPQ-KRWDZBQOSA-N 1 3 370.538 0.650 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000565252965 491366039 /nfs/dbraw/zinc/36/60/39/491366039.db2.gz FZXVTQIFIYOGPQ-DJIMGWMZSA-N 1 3 359.474 0.460 20 0 FCADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000565252965 491366041 /nfs/dbraw/zinc/36/60/41/491366041.db2.gz FZXVTQIFIYOGPQ-DJIMGWMZSA-N 1 3 359.474 0.460 20 0 FCADHO CC(=O)N1CC[C@](C)(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000531324166 490952132 /nfs/dbraw/zinc/95/21/32/490952132.db2.gz MTYQIOVTWUUQHT-IBGZPJMESA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000519369879 490969964 /nfs/dbraw/zinc/96/99/64/490969964.db2.gz GFEFYDHPNGYFIW-INIZCTEOSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000519643566 490981546 /nfs/dbraw/zinc/98/15/46/490981546.db2.gz SVZGNZYQISZGBI-WBVHZDCISA-N 1 3 350.507 0.635 20 0 FCADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000519652781 490982692 /nfs/dbraw/zinc/98/26/92/490982692.db2.gz QTUGCATZNHQAQN-DOTOQJQBSA-N 1 3 359.474 0.373 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CN1C1CC1 ZINC000519691289 490984118 /nfs/dbraw/zinc/98/41/18/490984118.db2.gz RWLPSFPXOGRLIR-DYEKYZERSA-N 1 3 363.428 0.747 20 0 FCADHO CN1CCN(c2ccncc2NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000569697514 491182643 /nfs/dbraw/zinc/18/26/43/491182643.db2.gz QJHDTWJIXWLPHP-AWEZNQCLSA-N 1 3 370.461 0.429 20 0 FCADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)C1(C)C ZINC000569719459 491185232 /nfs/dbraw/zinc/18/52/32/491185232.db2.gz BPQRCWSCNCKJOR-FCEWJHQRSA-N 1 3 352.523 0.757 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000572762137 491392086 /nfs/dbraw/zinc/39/20/86/491392086.db2.gz DUZFBPXWDBRGPA-OAHLLOKOSA-N 1 3 354.495 0.156 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000557751274 491395844 /nfs/dbraw/zinc/39/58/44/491395844.db2.gz RCVYZQAVQOJELS-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000557751274 491395846 /nfs/dbraw/zinc/39/58/46/491395846.db2.gz RCVYZQAVQOJELS-HZPDHXFCSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1=O ZINC000572845401 491397149 /nfs/dbraw/zinc/39/71/49/491397149.db2.gz QNUPHNFJHIZAIC-IKGGRYGDSA-N 1 3 366.506 0.141 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000572897665 491400853 /nfs/dbraw/zinc/40/08/53/491400853.db2.gz RNUIGPJBKFPMMF-INIZCTEOSA-N 1 3 350.511 0.448 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000558010425 491408964 /nfs/dbraw/zinc/40/89/64/491408964.db2.gz JODAQDFGCFLQPQ-MRXNPFEDSA-N 1 3 356.511 0.402 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000558010425 491408965 /nfs/dbraw/zinc/40/89/65/491408965.db2.gz JODAQDFGCFLQPQ-MRXNPFEDSA-N 1 3 356.511 0.402 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000573070849 491410388 /nfs/dbraw/zinc/41/03/88/491410388.db2.gz ASXIDAGRMKGRPI-TZMCWYRMSA-N 1 3 350.467 1.384 20 0 FCADHO CN(CCNC(=O)C1CCN(C(=O)NC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000573074944 491410558 /nfs/dbraw/zinc/41/05/58/491410558.db2.gz NJMYZTYWROZAIO-UHFFFAOYSA-N 1 3 373.501 0.628 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H](C)C1 ZINC000573102920 491412955 /nfs/dbraw/zinc/41/29/55/491412955.db2.gz RBSNOBZYFHYIMY-HZPDHXFCSA-N 1 3 356.511 0.260 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)[C@H](C)C1 ZINC000573102920 491412958 /nfs/dbraw/zinc/41/29/58/491412958.db2.gz RBSNOBZYFHYIMY-HZPDHXFCSA-N 1 3 356.511 0.260 20 0 FCADHO CN(C)CCOc1cccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000566106921 491417591 /nfs/dbraw/zinc/41/75/91/491417591.db2.gz CCBKEXIPVVMPTM-UHFFFAOYSA-N 1 3 356.488 0.656 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000573192651 491418033 /nfs/dbraw/zinc/41/80/33/491418033.db2.gz ADRSPPXGCLVWOU-CQSZACIVSA-N 1 3 368.522 0.591 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000573192651 491418035 /nfs/dbraw/zinc/41/80/35/491418035.db2.gz ADRSPPXGCLVWOU-CQSZACIVSA-N 1 3 368.522 0.591 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[NH2+]CC1 ZINC000573209115 491419175 /nfs/dbraw/zinc/41/91/75/491419175.db2.gz YWBKJVXXJZZLPC-LSDHHAIUSA-N 1 3 369.462 0.246 20 0 FCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573321423 491426354 /nfs/dbraw/zinc/42/63/54/491426354.db2.gz UVNVJLVIKCZFKV-ICSRJNTNSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000573321423 491426357 /nfs/dbraw/zinc/42/63/57/491426357.db2.gz UVNVJLVIKCZFKV-ICSRJNTNSA-N 1 3 361.486 0.586 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000566236862 491428805 /nfs/dbraw/zinc/42/88/05/491428805.db2.gz CEFSDMFFNAFHHB-YJBOKZPZSA-N 1 3 358.486 0.919 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000558418626 491429906 /nfs/dbraw/zinc/42/99/06/491429906.db2.gz KMDYXODUEQJHSP-AWEZNQCLSA-N 1 3 362.465 0.880 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000573396395 491430913 /nfs/dbraw/zinc/43/09/13/491430913.db2.gz QLIOQWMYMYVZHT-CHWSQXEVSA-N 1 3 364.437 0.215 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CC[C@@H](CN3CCCCC3)C2)CC[NH2+]CC1 ZINC000566296084 491433303 /nfs/dbraw/zinc/43/33/03/491433303.db2.gz OYFURMXSXTZICO-HNNXBMFYSA-N 1 3 357.520 0.488 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000573578656 491442030 /nfs/dbraw/zinc/44/20/30/491442030.db2.gz FZYVDPHSMJMGIL-IRXDYDNUSA-N 1 3 359.474 0.462 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000573578656 491442031 /nfs/dbraw/zinc/44/20/31/491442031.db2.gz FZYVDPHSMJMGIL-IRXDYDNUSA-N 1 3 359.474 0.462 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559574790 491482570 /nfs/dbraw/zinc/48/25/70/491482570.db2.gz NCHQEVBGXZZWKU-MRXNPFEDSA-N 1 3 362.518 0.920 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000559574790 491482572 /nfs/dbraw/zinc/48/25/72/491482572.db2.gz NCHQEVBGXZZWKU-MRXNPFEDSA-N 1 3 362.518 0.920 20 0 FCADHO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)C2=O ZINC000574499540 491500593 /nfs/dbraw/zinc/50/05/93/491500593.db2.gz RXQSLNYAQDAGCQ-HNNXBMFYSA-N 1 3 374.485 0.931 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000559863927 491505618 /nfs/dbraw/zinc/50/56/18/491505618.db2.gz WLFMYYZBNIMSQQ-KRWDZBQOSA-N 1 3 356.536 0.388 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868685 491506921 /nfs/dbraw/zinc/50/69/21/491506921.db2.gz TUQQWBPKODZGEE-YJBOKZPZSA-N 1 3 368.547 0.484 20 0 FCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000567571908 491514815 /nfs/dbraw/zinc/51/48/15/491514815.db2.gz MIAQKJBWRBZZOV-HNNXBMFYSA-N 1 3 355.552 0.551 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000575038289 491535224 /nfs/dbraw/zinc/53/52/24/491535224.db2.gz LTEHPTVZIYHRGJ-CHWSQXEVSA-N 1 3 351.417 0.558 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000567990265 491545700 /nfs/dbraw/zinc/54/57/00/491545700.db2.gz OVGNRVPVRYLTQC-UHFFFAOYSA-N 1 3 361.534 0.654 20 0 FCADHO CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000575234087 491546986 /nfs/dbraw/zinc/54/69/86/491546986.db2.gz LRCRZDGNSRJPSX-QGZVFWFLSA-N 1 3 365.522 0.666 20 0 FCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000568061211 491551106 /nfs/dbraw/zinc/55/11/06/491551106.db2.gz ONFODLPNCWEZRP-INIZCTEOSA-N 1 3 358.486 0.748 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000560763097 491555644 /nfs/dbraw/zinc/55/56/44/491555644.db2.gz LOESDANNJKWLQI-JKSUJKDBSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000560763097 491555645 /nfs/dbraw/zinc/55/56/45/491555645.db2.gz LOESDANNJKWLQI-JKSUJKDBSA-N 1 3 350.507 0.990 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295695 491568046 /nfs/dbraw/zinc/56/80/46/491568046.db2.gz LUFXNSQDHACJEI-KZNAEPCWSA-N 1 3 371.485 0.604 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C1=O ZINC000568295695 491568048 /nfs/dbraw/zinc/56/80/48/491568048.db2.gz LUFXNSQDHACJEI-KZNAEPCWSA-N 1 3 371.485 0.604 20 0 FCADHO CN(C)CCN(Cc1ccccn1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575920686 491570227 /nfs/dbraw/zinc/57/02/27/491570227.db2.gz JEFZBLPVJVVWOS-MRXNPFEDSA-N 1 3 357.462 0.629 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C(=O)OC)C3)CC2)CC1 ZINC000576000808 491575032 /nfs/dbraw/zinc/57/50/32/491575032.db2.gz LDZFXFQABIUHAR-QGZVFWFLSA-N 1 3 367.490 0.583 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)C2)C1 ZINC000576146832 491585983 /nfs/dbraw/zinc/58/59/83/491585983.db2.gz FLDPFZLFKZFBJX-HXUWFJFHSA-N 1 3 362.518 0.923 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000660469813 493353596 /nfs/dbraw/zinc/35/35/96/493353596.db2.gz KWEKIAWDBRTCPQ-GOSISDBHSA-N 1 3 352.523 0.774 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000568628491 491593819 /nfs/dbraw/zinc/59/38/19/491593819.db2.gz SRVKEGHZMQLZNA-KRWDZBQOSA-N 1 3 361.490 0.349 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000568766662 491608050 /nfs/dbraw/zinc/60/80/50/491608050.db2.gz DPJVDDYGEQGLOA-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000561492195 491612925 /nfs/dbraw/zinc/61/29/25/491612925.db2.gz HPNVLWZDAMKGTH-UHFFFAOYSA-N 1 3 365.522 0.668 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCCO1 ZINC000561674749 491624062 /nfs/dbraw/zinc/62/40/62/491624062.db2.gz GFNOLQPMJIVIOP-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCCO1 ZINC000561674749 491624064 /nfs/dbraw/zinc/62/40/64/491624064.db2.gz GFNOLQPMJIVIOP-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO CCN(C)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000577646067 491639551 /nfs/dbraw/zinc/63/95/51/491639551.db2.gz DSTZEULZWPPTIG-GOSISDBHSA-N 1 3 354.539 0.565 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1=CC[N@H+](C)CC1 ZINC000561968645 491642990 /nfs/dbraw/zinc/64/29/90/491642990.db2.gz OFXKXMWQIDJLPZ-ZBFHGGJFSA-N 1 3 350.507 0.990 20 0 FCADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1=CC[N@@H+](C)CC1 ZINC000561968645 491642993 /nfs/dbraw/zinc/64/29/93/491642993.db2.gz OFXKXMWQIDJLPZ-ZBFHGGJFSA-N 1 3 350.507 0.990 20 0 FCADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CC(=O)NC1=O ZINC000569256544 491647233 /nfs/dbraw/zinc/64/72/33/491647233.db2.gz JHNPLPSWDNLKKC-MRXNPFEDSA-N 1 3 364.490 0.446 20 0 FCADHO C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000578745403 491683402 /nfs/dbraw/zinc/68/34/02/491683402.db2.gz RZPZTIYCQWZCKE-SJLPKXTDSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000578908503 491686964 /nfs/dbraw/zinc/68/69/64/491686964.db2.gz FCOVHWOUZLHUKK-MRXNPFEDSA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000578996724 491688694 /nfs/dbraw/zinc/68/86/94/491688694.db2.gz RWRNLBJAJUMISS-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000578996724 491688695 /nfs/dbraw/zinc/68/86/95/491688695.db2.gz RWRNLBJAJUMISS-DLBZAZTESA-N 1 3 368.522 0.594 20 0 FCADHO NC(=O)NC(=O)CCNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000579112121 491691207 /nfs/dbraw/zinc/69/12/07/491691207.db2.gz APHIXEJALITHHS-HNNXBMFYSA-N 1 3 361.446 0.059 20 0 FCADHO NC(=O)NC(=O)CCNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000579112121 491691208 /nfs/dbraw/zinc/69/12/08/491691208.db2.gz APHIXEJALITHHS-HNNXBMFYSA-N 1 3 361.446 0.059 20 0 FCADHO COC[C@]1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCC[NH2+]1 ZINC000579453020 491697959 /nfs/dbraw/zinc/69/79/59/491697959.db2.gz VKTLKUHNNCRESZ-GOSISDBHSA-N 1 3 354.495 0.509 20 0 FCADHO CN1CCN(C(=O)CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000579822369 491705948 /nfs/dbraw/zinc/70/59/48/491705948.db2.gz BMOMZYBHRAFHJS-XLIONFOSSA-N 1 3 358.486 0.996 20 0 FCADHO CN(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C[C@@H]1O ZINC000579852044 491706966 /nfs/dbraw/zinc/70/69/66/491706966.db2.gz ZXNJFOIHZSZCJH-OALUTQOASA-N 1 3 361.486 0.638 20 0 FCADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000584781437 491714309 /nfs/dbraw/zinc/71/43/09/491714309.db2.gz OOGLTJXPRGIBIX-DLBZAZTESA-N 1 3 374.485 0.886 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580529215 491734618 /nfs/dbraw/zinc/73/46/18/491734618.db2.gz WXWQRUQGTUHKBR-MRXNPFEDSA-N 1 3 374.485 0.840 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1c1cccc(F)c1 ZINC000580645570 491739963 /nfs/dbraw/zinc/73/99/63/491739963.db2.gz MDAKHJLNPIZYOH-JKSUJKDBSA-N 1 3 358.421 0.909 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCCO1 ZINC000581125318 491760352 /nfs/dbraw/zinc/76/03/52/491760352.db2.gz LQMTUNNVHXUHTQ-INIZCTEOSA-N 1 3 352.479 0.040 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000581500302 491775310 /nfs/dbraw/zinc/77/53/10/491775310.db2.gz MXOUUOGRAIWUSN-MOPGFXCFSA-N 1 3 372.513 0.878 20 0 FCADHO CN(c1ccccc1CN1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000581618669 491779937 /nfs/dbraw/zinc/77/99/37/491779937.db2.gz KOYKTDHBHZBAMD-RBUKOAKNSA-N 1 3 371.529 0.961 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1cc(Br)cn1 ZINC000590817178 491787423 /nfs/dbraw/zinc/78/74/23/491787423.db2.gz QFMKAUTZPNEWJP-UHFFFAOYSA-N 1 3 360.300 0.988 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668499224 493364665 /nfs/dbraw/zinc/36/46/65/493364665.db2.gz CJDWANCNRYWLSZ-WBVHZDCISA-N 1 3 366.506 0.204 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668499218 493364737 /nfs/dbraw/zinc/36/47/37/493364737.db2.gz CJDWANCNRYWLSZ-RDJZCZTQSA-N 1 3 366.506 0.204 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582438035 491812661 /nfs/dbraw/zinc/81/26/61/491812661.db2.gz RQGASYXKTBXTRY-UHFFFAOYSA-N 1 3 366.506 0.300 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000584172770 491859980 /nfs/dbraw/zinc/85/99/80/491859980.db2.gz DLXPXVNUOHOQBK-KGLIPLIRSA-N 1 3 352.454 0.958 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000584288961 491862192 /nfs/dbraw/zinc/86/21/92/491862192.db2.gz NFQVWPPHQUOSCU-GOSISDBHSA-N 1 3 358.486 0.944 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000611642291 491864356 /nfs/dbraw/zinc/86/43/56/491864356.db2.gz WQKJRAIHPMAPOJ-ARFHVFGLSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000611651033 491865806 /nfs/dbraw/zinc/86/58/06/491865806.db2.gz UASRGAVNSSLQAY-HLLBOEOZSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC000601313164 491903489 /nfs/dbraw/zinc/90/34/89/491903489.db2.gz POOIOMYHPJMDCT-SFHVURJKSA-N 1 3 362.522 0.685 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000612546878 491932019 /nfs/dbraw/zinc/93/20/19/491932019.db2.gz WUSSXBXNQHRLNQ-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612929143 491959012 /nfs/dbraw/zinc/95/90/12/491959012.db2.gz IFEGUXXKPQJLJC-RRFJBIMHSA-N 1 3 363.510 0.834 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC000595894678 491959952 /nfs/dbraw/zinc/95/99/52/491959952.db2.gz YLMVPKNRUNGTMS-HRCADAONSA-N 1 3 353.463 0.369 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@H]3CCCN(C)C3)CC2)CC1 ZINC000604388471 492059554 /nfs/dbraw/zinc/05/95/54/492059554.db2.gz FAWAQOLEOBHRNC-IBGZPJMESA-N 1 3 365.566 0.687 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665584 492126286 /nfs/dbraw/zinc/12/62/86/492126286.db2.gz HOKCZPMVXGAOSK-DOTOQJQBSA-N 1 3 367.538 0.959 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000607245344 492142060 /nfs/dbraw/zinc/14/20/60/492142060.db2.gz LRVPMBZXNZVMKX-HOTGVXAUSA-N 1 3 355.527 0.768 20 0 FCADHO COC(=O)Cc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000616850286 492146031 /nfs/dbraw/zinc/14/60/31/492146031.db2.gz HARRWTJIYJZIRJ-UHFFFAOYSA-N 1 3 351.451 0.754 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654450173 492305177 /nfs/dbraw/zinc/30/51/77/492305177.db2.gz DCRJCZKXNPRSLO-IXDOHACOSA-N 1 3 365.522 0.890 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000654450173 492305182 /nfs/dbraw/zinc/30/51/82/492305182.db2.gz DCRJCZKXNPRSLO-IXDOHACOSA-N 1 3 365.522 0.890 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1=O ZINC000634089771 492320390 /nfs/dbraw/zinc/32/03/90/492320390.db2.gz MAMWMKJKGOAFCW-CQSZACIVSA-N 1 3 362.478 0.498 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642356703 492355001 /nfs/dbraw/zinc/35/50/01/492355001.db2.gz PLNBYCBCRRATBR-INIZCTEOSA-N 1 3 354.495 0.250 20 0 FCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642495874 492360059 /nfs/dbraw/zinc/36/00/59/492360059.db2.gz ZCHUBKAVBNGFDG-NXHRZFHOSA-N 1 3 358.486 0.834 20 0 FCADHO CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793350 492363280 /nfs/dbraw/zinc/36/32/80/492363280.db2.gz USBHJARTNUUKBZ-USXIJHARSA-N 1 3 367.515 0.777 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640946 492369062 /nfs/dbraw/zinc/36/90/62/492369062.db2.gz PTJDFMFARRXVRT-CGTJXYLNSA-N 1 3 356.470 0.491 20 0 FCADHO O=C(NC1CNC1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640946 492369065 /nfs/dbraw/zinc/36/90/65/492369065.db2.gz PTJDFMFARRXVRT-CGTJXYLNSA-N 1 3 356.470 0.491 20 0 FCADHO O=C(NCC[NH2+]C1CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000642640889 492369210 /nfs/dbraw/zinc/36/92/10/492369210.db2.gz IWMVLRBTUUDWRN-GOSISDBHSA-N 1 3 374.485 0.262 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000642685499 492372482 /nfs/dbraw/zinc/37/24/82/492372482.db2.gz CDRSZQGHJKBFFQ-UHFFFAOYSA-N 1 3 362.474 0.583 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642732920 492383144 /nfs/dbraw/zinc/38/31/44/492383144.db2.gz CLJZKHDRVBCNGP-MJGOQNOKSA-N 1 3 370.497 0.761 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C(=O)NC)C3)CC2)CC1 ZINC000654991704 492388967 /nfs/dbraw/zinc/38/89/67/492388967.db2.gz BBWUQDZVPWRFJA-KRWDZBQOSA-N 1 3 366.506 0.156 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647978421 492390104 /nfs/dbraw/zinc/39/01/04/492390104.db2.gz ROOOSUHJWLVWQC-KZNAEPCWSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cnccn2)CC1 ZINC000647978728 492390463 /nfs/dbraw/zinc/39/04/63/492390463.db2.gz XIFNJKOSJCWTFE-ROUUACIJSA-N 1 3 372.517 0.837 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905407 492400492 /nfs/dbraw/zinc/40/04/92/492400492.db2.gz LXMDVXZLVWKWRT-KRWDZBQOSA-N 1 3 364.465 0.974 20 0 FCADHO O=C([C@H]1CNCCOC1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119104 492402009 /nfs/dbraw/zinc/40/20/09/492402009.db2.gz OMXPOFITFKUIJE-UONOGXRCSA-N 1 3 350.488 0.850 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000642924108 492404898 /nfs/dbraw/zinc/40/48/98/492404898.db2.gz LDKMSKBTQVCAPF-FUHWJXTLSA-N 1 3 356.470 0.588 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000642924108 492404902 /nfs/dbraw/zinc/40/49/02/492404902.db2.gz LDKMSKBTQVCAPF-FUHWJXTLSA-N 1 3 356.470 0.588 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983098 492410992 /nfs/dbraw/zinc/41/09/92/492410992.db2.gz GFVFNOOGVIGECN-AEFFLSMTSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000642983098 492410995 /nfs/dbraw/zinc/41/09/95/492410995.db2.gz GFVFNOOGVIGECN-AEFFLSMTSA-N 1 3 356.470 0.849 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)o1 ZINC000642982359 492411134 /nfs/dbraw/zinc/41/11/34/492411134.db2.gz UGSHNMYFVLBDEB-OAHLLOKOSA-N 1 3 350.463 0.737 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643003993 492412617 /nfs/dbraw/zinc/41/26/17/492412617.db2.gz HPPFISJVHZLRBJ-MSOLQXFVSA-N 1 3 374.485 0.214 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643003995 492412704 /nfs/dbraw/zinc/41/27/04/492412704.db2.gz HPPFISJVHZLRBJ-ROUUACIJSA-N 1 3 374.485 0.214 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621838589 492421611 /nfs/dbraw/zinc/42/16/11/492421611.db2.gz GGSYZFBOOLFZQD-WPECMILSSA-N 1 3 350.507 0.809 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845681 492426047 /nfs/dbraw/zinc/42/60/47/492426047.db2.gz NQNICEDFZIZREH-AUUYWEPGSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655446316 492442958 /nfs/dbraw/zinc/44/29/58/492442958.db2.gz NTKIWSBJRHJPQV-FXAWDEMLSA-N 1 3 358.486 0.984 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028215 492443490 /nfs/dbraw/zinc/44/34/90/492443490.db2.gz NYFZYBPBHYVCOI-KBXCAEBGSA-N 1 3 364.515 0.978 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028218 492443506 /nfs/dbraw/zinc/44/35/06/492443506.db2.gz NYFZYBPBHYVCOI-RDTXWAMCSA-N 1 3 364.515 0.978 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635551065 492468833 /nfs/dbraw/zinc/46/88/33/492468833.db2.gz JUYPEKGADWPSPG-SFHVURJKSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635551065 492468835 /nfs/dbraw/zinc/46/88/35/492468835.db2.gz JUYPEKGADWPSPG-SFHVURJKSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C(=O)C(C)(C)CN1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635551065 492468838 /nfs/dbraw/zinc/46/88/38/492468838.db2.gz JUYPEKGADWPSPG-SFHVURJKSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635557925 492472352 /nfs/dbraw/zinc/47/23/52/492472352.db2.gz DITGDOKQQHOHKL-UHFFFAOYSA-N 1 3 354.539 0.735 20 0 FCADHO C[NH+](C)CCN1CCC(CNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000635557925 492472359 /nfs/dbraw/zinc/47/23/59/492472359.db2.gz DITGDOKQQHOHKL-UHFFFAOYSA-N 1 3 354.539 0.735 20 0 FCADHO O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1CN1CCCC1 ZINC000643498737 492482753 /nfs/dbraw/zinc/48/27/53/492482753.db2.gz MTJJRZSMCIDZRD-MSOLQXFVSA-N 1 3 362.518 0.921 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000643531749 492490515 /nfs/dbraw/zinc/49/05/15/492490515.db2.gz FSFIBHXYSZALNS-MSOLQXFVSA-N 1 3 374.485 0.296 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000643531830 492492019 /nfs/dbraw/zinc/49/20/19/492492019.db2.gz OXFUIBRWLBMHFA-SZMVWBNQSA-N 1 3 358.486 0.915 20 0 FCADHO CN(CCN1CC[NH2+]CC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000649271738 492516623 /nfs/dbraw/zinc/51/66/23/492516623.db2.gz VEXMEYSEUVYFCO-UHFFFAOYSA-N 1 3 373.545 0.952 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028694 492521474 /nfs/dbraw/zinc/52/14/74/492521474.db2.gz OTGUKGLILHLKQA-SJORKVTESA-N 1 3 350.507 0.968 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3C[NH2+]CCOC3)c2)CC1 ZINC000649295975 492525309 /nfs/dbraw/zinc/52/53/09/492525309.db2.gz MXQZKOXXTMVVKO-INIZCTEOSA-N 1 3 360.458 0.558 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)c2ccccc2O1 ZINC000649347131 492542378 /nfs/dbraw/zinc/54/23/78/492542378.db2.gz GPLCQUBAGKYHRS-AWEZNQCLSA-N 1 3 358.446 0.986 20 0 FCADHO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc21 ZINC000636141469 492557293 /nfs/dbraw/zinc/55/72/93/492557293.db2.gz XMKPNEONDPSTOM-LSDHHAIUSA-N 1 3 373.457 0.195 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357859 492611553 /nfs/dbraw/zinc/61/15/53/492611553.db2.gz HHYYHMDMDJZIJY-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656357859 492611558 /nfs/dbraw/zinc/61/15/58/492611558.db2.gz HHYYHMDMDJZIJY-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656359334 492613590 /nfs/dbraw/zinc/61/35/90/492613590.db2.gz OUEBTLFRKWJBCN-ZWKOTPCHSA-N 1 3 371.485 0.863 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699408 492643581 /nfs/dbraw/zinc/64/35/81/492643581.db2.gz LIYVWRUKVDUTII-YLJYHZDGSA-N 1 3 374.485 0.884 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699408 492643583 /nfs/dbraw/zinc/64/35/83/492643583.db2.gz LIYVWRUKVDUTII-YLJYHZDGSA-N 1 3 374.485 0.884 20 0 FCADHO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699405 492643743 /nfs/dbraw/zinc/64/37/43/492643743.db2.gz LIYVWRUKVDUTII-FXAWDEMLSA-N 1 3 374.485 0.884 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699405 492643744 /nfs/dbraw/zinc/64/37/44/492643744.db2.gz LIYVWRUKVDUTII-FXAWDEMLSA-N 1 3 374.485 0.884 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000644194635 492665482 /nfs/dbraw/zinc/66/54/82/492665482.db2.gz UGFSKRMKFOJVAM-SFHVURJKSA-N 1 3 373.501 0.631 20 0 FCADHO Cc1nc(NCCN2CC[C@@H](O)C2)c(NCC[N@@H+]2CC[C@@H](O)C2)nc1C ZINC000624678019 492670881 /nfs/dbraw/zinc/67/08/81/492670881.db2.gz BWDGNTZREWLXMF-HZPDHXFCSA-N 1 3 364.494 0.050 20 0 FCADHO Cc1nc(NCCN2CC[C@@H](O)C2)c(NCC[N@H+]2CC[C@@H](O)C2)nc1C ZINC000624678019 492670886 /nfs/dbraw/zinc/67/08/86/492670886.db2.gz BWDGNTZREWLXMF-HZPDHXFCSA-N 1 3 364.494 0.050 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629794788 492674788 /nfs/dbraw/zinc/67/47/88/492674788.db2.gz CZPUSUJNXKLZMX-KDURUIRLSA-N 1 3 368.522 0.261 20 0 FCADHO CN(CCN1CCCCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000650892214 492682678 /nfs/dbraw/zinc/68/26/78/492682678.db2.gz HYMKGBFYYYWCDU-MRXNPFEDSA-N 1 3 353.511 0.701 20 0 FCADHO CN(CCN1CCCCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000650892214 492682680 /nfs/dbraw/zinc/68/26/80/492682680.db2.gz HYMKGBFYYYWCDU-MRXNPFEDSA-N 1 3 353.511 0.701 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644291249 492692850 /nfs/dbraw/zinc/69/28/50/492692850.db2.gz UXIMSOMOHXXKSQ-BBWFWOEESA-N 1 3 367.538 0.299 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644291249 492692852 /nfs/dbraw/zinc/69/28/52/492692852.db2.gz UXIMSOMOHXXKSQ-BBWFWOEESA-N 1 3 367.538 0.299 20 0 FCADHO CN(C)CCOc1ccc(CC[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000644546437 492783869 /nfs/dbraw/zinc/78/38/69/492783869.db2.gz FNSAKXXQDRPGNX-UHFFFAOYSA-N 1 3 370.515 0.699 20 0 FCADHO CN(C)CCCS(=O)(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000631852559 492863826 /nfs/dbraw/zinc/86/38/26/492863826.db2.gz VMKLOECZPNUKIX-UHFFFAOYSA-N 1 3 369.535 0.465 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645136018 492872274 /nfs/dbraw/zinc/87/22/74/492872274.db2.gz KJSHCWFLZPMKHG-RCCFBDPRSA-N 1 3 358.486 0.663 20 0 FCADHO CN(C)CCOc1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000631913450 492879327 /nfs/dbraw/zinc/87/93/27/492879327.db2.gz KIVYPIJSTKAERW-UHFFFAOYSA-N 1 3 370.519 0.645 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652159167 492888797 /nfs/dbraw/zinc/88/87/97/492888797.db2.gz SMZRTKNLDHWXJR-YESZJQIVSA-N 1 3 356.511 0.883 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638111777 492907956 /nfs/dbraw/zinc/90/79/56/492907956.db2.gz HIXKBJXPTURJEB-UHFFFAOYSA-N 1 3 372.513 0.934 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348165 492912956 /nfs/dbraw/zinc/91/29/56/492912956.db2.gz WGJJZDMOODWHLC-HMDCTGQHSA-N 1 3 366.506 0.317 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652348462 492913033 /nfs/dbraw/zinc/91/30/33/492913033.db2.gz FGWABOUVCDHGQU-WNRNVDISSA-N 1 3 352.523 0.757 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652347971 492913652 /nfs/dbraw/zinc/91/36/52/492913652.db2.gz QLNFPZIYAPBVBG-BSDSXHPESA-N 1 3 366.506 0.332 20 0 FCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000638141427 492916728 /nfs/dbraw/zinc/91/67/28/492916728.db2.gz UHTMOJIPFZJGTQ-MJGOQNOKSA-N 1 3 361.490 0.477 20 0 FCADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CCCN1CCCC1 ZINC000632129296 492936357 /nfs/dbraw/zinc/93/63/57/492936357.db2.gz HJRKDDIRWFJMBB-BRWVUGGUSA-N 1 3 359.536 0.986 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439458 492947860 /nfs/dbraw/zinc/94/78/60/492947860.db2.gz IDUAOJHSWQMBPF-HOTGVXAUSA-N 1 3 360.506 0.867 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000638439458 492947863 /nfs/dbraw/zinc/94/78/63/492947863.db2.gz IDUAOJHSWQMBPF-HOTGVXAUSA-N 1 3 360.506 0.867 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000652547507 492967311 /nfs/dbraw/zinc/96/73/11/492967311.db2.gz LJFKHISOHFJCSS-IBGZPJMESA-N 1 3 350.507 0.875 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000652547507 492967312 /nfs/dbraw/zinc/96/73/12/492967312.db2.gz LJFKHISOHFJCSS-IBGZPJMESA-N 1 3 350.507 0.875 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000652622659 492971926 /nfs/dbraw/zinc/97/19/26/492971926.db2.gz QHFTZSFADSEHRA-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000645786896 492974839 /nfs/dbraw/zinc/97/48/39/492974839.db2.gz IDWGFJFOAFNNEB-ROUUACIJSA-N 1 3 358.486 0.883 20 0 FCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000645786897 492975139 /nfs/dbraw/zinc/97/51/39/492975139.db2.gz IDWGFJFOAFNNEB-ZWKOTPCHSA-N 1 3 358.486 0.883 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000638753514 492976390 /nfs/dbraw/zinc/97/63/90/492976390.db2.gz XJGLOOABBPIDDB-FUHWJXTLSA-N 1 3 369.473 0.736 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652680927 492987927 /nfs/dbraw/zinc/98/79/27/492987927.db2.gz VIOPHWIOPUBSFK-YESZJQIVSA-N 1 3 368.522 0.579 20 0 FCADHO CN1CCC(n2cc(NC(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)cn2)CC1 ZINC000638976838 492989673 /nfs/dbraw/zinc/98/96/73/492989673.db2.gz DREYMXDYLPNIAJ-HNNXBMFYSA-N 1 3 358.450 0.918 20 0 FCADHO CCN1CCN(CCCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652683368 492989947 /nfs/dbraw/zinc/98/99/47/492989947.db2.gz LSDLOOITFXWOFP-UHFFFAOYSA-N 1 3 367.538 0.026 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000645958614 492992903 /nfs/dbraw/zinc/99/29/03/492992903.db2.gz PUVPLSXFDWNJKH-DLBZAZTESA-N 1 3 350.507 0.681 20 0 FCADHO CN1CCC[C@H](N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)C1 ZINC000646003164 492998909 /nfs/dbraw/zinc/99/89/09/492998909.db2.gz VCVINLINPWAVDG-ROUUACIJSA-N 1 3 360.506 0.660 20 0 FCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000652723546 493003759 /nfs/dbraw/zinc/00/37/59/493003759.db2.gz CQSSDKDHPLBTGR-UHFFFAOYSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)COCC[NH3+])CC1 ZINC000646047681 493007325 /nfs/dbraw/zinc/00/73/25/493007325.db2.gz BDEMQVPJBBQOBU-UHFFFAOYSA-N 1 3 350.463 0.251 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2[nH]ccc21 ZINC000632487824 493008066 /nfs/dbraw/zinc/00/80/66/493008066.db2.gz WEPJLLBSFXTWRT-UHFFFAOYSA-N 1 3 359.474 0.736 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730697 493008226 /nfs/dbraw/zinc/00/82/26/493008226.db2.gz MDTWQIJOFXONER-ULQDDVLXSA-N 1 3 368.522 0.530 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730698 493008329 /nfs/dbraw/zinc/00/83/29/493008329.db2.gz MDTWQIJOFXONER-YESZJQIVSA-N 1 3 368.522 0.530 20 0 FCADHO CN1CCN(CCC(C)(C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000632529996 493022543 /nfs/dbraw/zinc/02/25/43/493022543.db2.gz DSRNBFSDGLYHEV-UHFFFAOYSA-N 1 3 350.511 0.591 20 0 FCADHO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000626980309 493073452 /nfs/dbraw/zinc/07/34/52/493073452.db2.gz QNTRRZPSQBGULB-SJORKVTESA-N 1 3 353.511 0.032 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000653124612 493075185 /nfs/dbraw/zinc/07/51/85/493075185.db2.gz BUAIZRWHICNVGJ-FPOVZHCZSA-N 1 3 372.513 0.676 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1=O ZINC000653183286 493082034 /nfs/dbraw/zinc/08/20/34/493082034.db2.gz BYEZCILLXSBPSZ-VVLHAWIVSA-N 1 3 366.506 0.141 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1=O ZINC000653183285 493082088 /nfs/dbraw/zinc/08/20/88/493082088.db2.gz BYEZCILLXSBPSZ-HZMVEIRTSA-N 1 3 366.506 0.141 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)c2)CC1 ZINC000633039570 493108614 /nfs/dbraw/zinc/10/86/14/493108614.db2.gz LNYBEDBNOLBAQK-HUUCEWRRSA-N 1 3 359.474 0.715 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCN(c2ccncc2)CC1 ZINC000627227487 493110186 /nfs/dbraw/zinc/11/01/86/493110186.db2.gz JXRBUMLTDROFBW-MRXNPFEDSA-N 1 3 356.434 0.239 20 0 FCADHO C[C@H]1CN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCN(C2CCC2)C1 ZINC000627233323 493114035 /nfs/dbraw/zinc/11/40/35/493114035.db2.gz DVBIJUBAHKRXNT-RHSMWYFYSA-N 1 3 361.494 0.828 20 0 FCADHO O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1CN1CCCC1 ZINC000658978218 493119671 /nfs/dbraw/zinc/11/96/71/493119671.db2.gz IULBXCRRCFHXEH-SFHVURJKSA-N 1 3 371.485 0.817 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000659020585 493125834 /nfs/dbraw/zinc/12/58/34/493125834.db2.gz OAVYOIPUTLHGCF-CQSZACIVSA-N 1 3 362.478 0.381 20 0 FCADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000647052026 493153293 /nfs/dbraw/zinc/15/32/93/493153293.db2.gz CRVMSZDKLIIESF-GDBMZVCRSA-N 1 3 350.463 0.549 20 0 FCADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000647052026 493153295 /nfs/dbraw/zinc/15/32/95/493153295.db2.gz CRVMSZDKLIIESF-GDBMZVCRSA-N 1 3 350.463 0.549 20 0 FCADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000633481566 493159105 /nfs/dbraw/zinc/15/91/05/493159105.db2.gz VCRVBPYYCNGKEX-QUCCMNQESA-N 1 3 361.486 0.586 20 0 FCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000659114033 493160225 /nfs/dbraw/zinc/16/02/25/493160225.db2.gz RFVRAOZPCLXLPU-HNNXBMFYSA-N 1 3 361.490 0.880 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@H+](C)C3CC3)nn2)c1 ZINC000641222881 493182770 /nfs/dbraw/zinc/18/27/70/493182770.db2.gz OHJQPFBPVRKSHK-INIZCTEOSA-N 1 3 358.446 0.558 20 0 FCADHO CNCC(=O)Nc1cccc(-c2cn(C[C@@H](O)C[N@@H+](C)C3CC3)nn2)c1 ZINC000641222881 493182776 /nfs/dbraw/zinc/18/27/76/493182776.db2.gz OHJQPFBPVRKSHK-INIZCTEOSA-N 1 3 358.446 0.558 20 0 FCADHO COc1ccccc1CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000659318637 493190022 /nfs/dbraw/zinc/19/00/22/493190022.db2.gz OFNMSLMISBFZJM-UHFFFAOYSA-N 1 3 364.490 0.605 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000659549858 493211620 /nfs/dbraw/zinc/21/16/20/493211620.db2.gz NUUUTHVUHPBZTN-SFHVURJKSA-N 1 3 361.490 0.971 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000659695735 493258592 /nfs/dbraw/zinc/25/85/92/493258592.db2.gz DZICBEOPBUHMAX-QAPCUYQASA-N 1 3 372.513 0.788 20 0 FCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CCO)C(C)(C)C3)C2)CC1 ZINC000672874812 493261635 /nfs/dbraw/zinc/26/16/35/493261635.db2.gz KQMLXFDHZALGQQ-INIZCTEOSA-N 1 3 367.538 0.253 20 0 FCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CCO)C(C)(C)C3)C2)CC1 ZINC000672874812 493261637 /nfs/dbraw/zinc/26/16/37/493261637.db2.gz KQMLXFDHZALGQQ-INIZCTEOSA-N 1 3 367.538 0.253 20 0 FCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(CCO)C(C)(C)C3)C2)CC1 ZINC000672874812 493261640 /nfs/dbraw/zinc/26/16/40/493261640.db2.gz KQMLXFDHZALGQQ-INIZCTEOSA-N 1 3 367.538 0.253 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000659711610 493268035 /nfs/dbraw/zinc/26/80/35/493268035.db2.gz BJYZTBWIIGECMB-SFHVURJKSA-N 1 3 358.486 0.630 20 0 FCADHO [NH3+][C@@H](CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000659715967 493269449 /nfs/dbraw/zinc/26/94/49/493269449.db2.gz UNDXUWKFKPOXPO-KRWDZBQOSA-N 1 3 359.474 0.263 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659718563 493269946 /nfs/dbraw/zinc/26/99/46/493269946.db2.gz RGGHYFIEBBDOAV-BBRMVZONSA-N 1 3 366.506 0.454 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718265 493270291 /nfs/dbraw/zinc/27/02/91/493270291.db2.gz NLBROTMNGLROQZ-IAGOWNOFSA-N 1 3 366.506 0.380 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659720156 493270807 /nfs/dbraw/zinc/27/08/07/493270807.db2.gz ATBIKCQPYIJKGR-CRAIPNDOSA-N 1 3 373.501 0.667 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659726877 493274440 /nfs/dbraw/zinc/27/44/40/493274440.db2.gz CEMDQEWUJZJCJL-GOSISDBHSA-N 1 3 373.501 0.478 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000659735879 493278594 /nfs/dbraw/zinc/27/85/94/493278594.db2.gz KIWPKNLHLOMDJF-PMPSAXMXSA-N 1 3 350.507 0.953 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659739458 493280482 /nfs/dbraw/zinc/28/04/82/493280482.db2.gz USXHPLIXALAZLC-IRXDYDNUSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(CNC(=O)Nc1cnc2c(c1)CNCC2)NCC[NH+]1CCCCCC1 ZINC000667802561 493303029 /nfs/dbraw/zinc/30/30/29/493303029.db2.gz UQWTZLLPZYHMPP-UHFFFAOYSA-N 1 3 374.489 0.841 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000673351075 493320506 /nfs/dbraw/zinc/32/05/06/493320506.db2.gz JGODILIHVIPVHE-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000673351075 493320507 /nfs/dbraw/zinc/32/05/07/493320507.db2.gz JGODILIHVIPVHE-WBVHZDCISA-N 1 3 366.506 0.156 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673428025 493327717 /nfs/dbraw/zinc/32/77/17/493327717.db2.gz SMRWLVDZNGHARL-ZACQAIPSSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000673428025 493327720 /nfs/dbraw/zinc/32/77/20/493327720.db2.gz SMRWLVDZNGHARL-ZACQAIPSSA-N 1 3 368.522 0.402 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853371 493386813 /nfs/dbraw/zinc/38/68/13/493386813.db2.gz WPQRIXNIWSTPPT-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000660853371 493386814 /nfs/dbraw/zinc/38/68/14/493386814.db2.gz WPQRIXNIWSTPPT-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657368 493392383 /nfs/dbraw/zinc/39/23/83/493392383.db2.gz ONCKGDWOGUDXJE-IBGZPJMESA-N 1 3 372.513 0.972 20 0 FCADHO CN(CCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)C1CC1 ZINC000668657368 493392384 /nfs/dbraw/zinc/39/23/84/493392384.db2.gz ONCKGDWOGUDXJE-IBGZPJMESA-N 1 3 372.513 0.972 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000668682268 493395919 /nfs/dbraw/zinc/39/59/19/493395919.db2.gz CNVWHIRVXCPWOX-KRWDZBQOSA-N 1 3 366.506 0.204 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000661024890 493403388 /nfs/dbraw/zinc/40/33/88/493403388.db2.gz IEWQIQIKCUIBAW-QGZVFWFLSA-N 1 3 367.538 0.023 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000661024890 493403391 /nfs/dbraw/zinc/40/33/91/493403391.db2.gz IEWQIQIKCUIBAW-QGZVFWFLSA-N 1 3 367.538 0.023 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668777301 493408973 /nfs/dbraw/zinc/40/89/73/493408973.db2.gz USJRVBBIALVYSU-ZBFHGGJFSA-N 1 3 354.495 0.202 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668777301 493408974 /nfs/dbraw/zinc/40/89/74/493408974.db2.gz USJRVBBIALVYSU-ZBFHGGJFSA-N 1 3 354.495 0.202 20 0 FCADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000685519461 493500828 /nfs/dbraw/zinc/50/08/28/493500828.db2.gz PUFPXXNUIUDKGG-UHFFFAOYSA-N 1 3 371.485 0.721 20 0 FCADHO O=C(CC[NH2+]C1(CO)CCNCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000662287265 493503074 /nfs/dbraw/zinc/50/30/74/493503074.db2.gz XPYQRSFETUJHAP-UHFFFAOYSA-N 1 3 364.465 0.569 20 0 FCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290658 493503881 /nfs/dbraw/zinc/50/38/81/493503881.db2.gz HHTWHHZXLIKXJC-HYVNUMGLSA-N 1 3 350.507 0.810 20 0 FCADHO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662446074 493516084 /nfs/dbraw/zinc/51/60/84/493516084.db2.gz VRSLNBXVSVBTKV-UHFFFAOYSA-N 1 3 362.499 0.774 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662446074 493516087 /nfs/dbraw/zinc/51/60/87/493516087.db2.gz VRSLNBXVSVBTKV-UHFFFAOYSA-N 1 3 362.499 0.774 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662727375 493535419 /nfs/dbraw/zinc/53/54/19/493535419.db2.gz WMFABAPOYCHFNO-OAHLLOKOSA-N 1 3 364.412 0.587 20 0 FCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000662758780 493540044 /nfs/dbraw/zinc/54/00/44/493540044.db2.gz TUJDNNADCIZWAU-OALUTQOASA-N 1 3 360.502 0.674 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836939 493545878 /nfs/dbraw/zinc/54/58/78/493545878.db2.gz IPYVIZVOSMFXAH-ZIAGYGMSSA-N 1 3 362.478 0.459 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nn(C)c(C)c2CN)CC1=O ZINC000662836939 493545881 /nfs/dbraw/zinc/54/58/81/493545881.db2.gz IPYVIZVOSMFXAH-ZIAGYGMSSA-N 1 3 362.478 0.459 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCNCC1 ZINC000662845023 493546310 /nfs/dbraw/zinc/54/63/10/493546310.db2.gz CDIGRDFWBMNFMS-OAHLLOKOSA-N 1 3 357.520 0.391 20 0 FCADHO CCN1CCC[C@H](CN(C)C(=O)[C@H]2C[NH2+]CCOC2)[C@H]1c1cnn(C)c1 ZINC000662863518 493547837 /nfs/dbraw/zinc/54/78/37/493547837.db2.gz HMIRUJTUUNPRRF-NJAFHUGGSA-N 1 3 363.506 0.888 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662930890 493555876 /nfs/dbraw/zinc/55/58/76/493555876.db2.gz YOQFJUCQYYCQNB-QGZVFWFLSA-N 1 3 368.522 0.261 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662962500 493561281 /nfs/dbraw/zinc/56/12/81/493561281.db2.gz JVEWPECAJBHEAC-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@H](CN)C1 ZINC000662982145 493564013 /nfs/dbraw/zinc/56/40/13/493564013.db2.gz BFFWDPUZWXXATH-PVAVHDDUSA-N 1 3 350.507 0.763 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000670709409 493589433 /nfs/dbraw/zinc/58/94/33/493589433.db2.gz CEFZZSUXYABHIJ-UHFFFAOYSA-N 1 3 373.501 0.968 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c(C)c2)CC1 ZINC000663614703 493604366 /nfs/dbraw/zinc/60/43/66/493604366.db2.gz CYWCYNBEJSLALG-FQEVSTJZSA-N 1 3 373.501 0.944 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000670984522 493620136 /nfs/dbraw/zinc/62/01/36/493620136.db2.gz ORDHORHHAMFKPL-INIZCTEOSA-N 1 3 359.474 0.578 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670997462 493621853 /nfs/dbraw/zinc/62/18/53/493621853.db2.gz NBDTWAVOKAJBGT-INIZCTEOSA-N 1 3 359.474 0.721 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000670997792 493622168 /nfs/dbraw/zinc/62/21/68/493622168.db2.gz LEXOAJBBZOATBI-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000670997792 493622169 /nfs/dbraw/zinc/62/21/69/493622169.db2.gz LEXOAJBBZOATBI-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000671033353 493625345 /nfs/dbraw/zinc/62/53/45/493625345.db2.gz YRCASEMOLKQYGF-KRWDZBQOSA-N 1 3 367.538 0.119 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102349 493633804 /nfs/dbraw/zinc/63/38/04/493633804.db2.gz YIFMIPFIHPBZDA-BRWVUGGUSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000671102349 493633805 /nfs/dbraw/zinc/63/38/05/493633805.db2.gz YIFMIPFIHPBZDA-BRWVUGGUSA-N 1 3 366.506 0.347 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105116 493634950 /nfs/dbraw/zinc/63/49/50/493634950.db2.gz HVGXZIQBWCDPPK-PMPSAXMXSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671105116 493634951 /nfs/dbraw/zinc/63/49/51/493634951.db2.gz HVGXZIQBWCDPPK-PMPSAXMXSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000664311787 493651973 /nfs/dbraw/zinc/65/19/73/493651973.db2.gz SUAIHVXFPNLOPW-MRXNPFEDSA-N 1 3 359.540 0.085 20 0 FCADHO C[C@@H](C(=O)NCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)N(C)C)N(C)C ZINC000672246154 493745835 /nfs/dbraw/zinc/74/58/35/493745835.db2.gz QOIKBHFGZCQJAC-IRXDYDNUSA-N 1 3 369.554 0.317 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000672305814 493751766 /nfs/dbraw/zinc/75/17/66/493751766.db2.gz FCQFXXIHSLVKLC-QZTJIDSGSA-N 1 3 362.518 0.777 20 0 FCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419956740 536449270 /nfs/dbraw/zinc/44/92/70/536449270.db2.gz SVGKLEZIWZSOLB-CYBMUJFWSA-N 1 3 370.444 0.827 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000410845226 527824317 /nfs/dbraw/zinc/82/43/17/527824317.db2.gz QMQVWNMIESDFTK-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000410845226 527824320 /nfs/dbraw/zinc/82/43/20/527824320.db2.gz QMQVWNMIESDFTK-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000410884075 528890828 /nfs/dbraw/zinc/89/08/28/528890828.db2.gz JFIVNCRYAJCXCP-QGZVFWFLSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000174321749 529118015 /nfs/dbraw/zinc/11/80/15/529118015.db2.gz WFTWFGIMJIPWFT-SFHVURJKSA-N 1 3 354.539 0.876 20 0 FCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876942 535073823 /nfs/dbraw/zinc/07/38/23/535073823.db2.gz WFBGTZUOJVNHSV-KRWDZBQOSA-N 1 3 367.538 0.025 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000419909958 535159029 /nfs/dbraw/zinc/15/90/29/535159029.db2.gz NEFUAGDRZSHXEF-UHFFFAOYSA-N 1 3 361.490 0.872 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419882757 535522996 /nfs/dbraw/zinc/52/29/96/535522996.db2.gz MKRKEKKGVZSPPK-GFCCVEGCSA-N 1 3 352.401 0.587 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039828 535594190 /nfs/dbraw/zinc/59/41/90/535594190.db2.gz YYEUQDKDNINUGF-CABCVRRESA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000444039828 535594197 /nfs/dbraw/zinc/59/41/97/535594197.db2.gz YYEUQDKDNINUGF-CABCVRRESA-N 1 3 351.499 0.934 20 0 FCADHO CCN(CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630084 535703812 /nfs/dbraw/zinc/70/38/12/535703812.db2.gz ZHTLNJGKTFLORD-QGZVFWFLSA-N 1 3 360.506 0.979 20 0 FCADHO CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCNCC1 ZINC000435630084 535703819 /nfs/dbraw/zinc/70/38/19/535703819.db2.gz ZHTLNJGKTFLORD-QGZVFWFLSA-N 1 3 360.506 0.979 20 0 FCADHO CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCNCC1 ZINC000435630084 535703827 /nfs/dbraw/zinc/70/38/27/535703827.db2.gz ZHTLNJGKTFLORD-QGZVFWFLSA-N 1 3 360.506 0.979 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419829361 535710911 /nfs/dbraw/zinc/71/09/11/535710911.db2.gz PRSODWHDZVFDMY-NVXWUHKLSA-N 1 3 367.538 0.010 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000423428095 535715695 /nfs/dbraw/zinc/71/56/95/535715695.db2.gz JWRKQJOORGZUHZ-DOTOQJQBSA-N 1 3 364.465 0.879 20 0 FCADHO CCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435630809 535727506 /nfs/dbraw/zinc/72/75/06/535727506.db2.gz YQHJPNGYTCISGK-CQSZACIVSA-N 1 3 362.478 0.288 20 0 FCADHO CC[N@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCCNCC1 ZINC000435630809 535727512 /nfs/dbraw/zinc/72/75/12/535727512.db2.gz YQHJPNGYTCISGK-CQSZACIVSA-N 1 3 362.478 0.288 20 0 FCADHO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCCNCC1 ZINC000435630809 535727516 /nfs/dbraw/zinc/72/75/16/535727516.db2.gz YQHJPNGYTCISGK-CQSZACIVSA-N 1 3 362.478 0.288 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420205962 535856510 /nfs/dbraw/zinc/85/65/10/535856510.db2.gz JMJDMXPJHPPHFT-VQHPVUNQSA-N 1 3 366.506 0.060 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419873783 535862722 /nfs/dbraw/zinc/86/27/22/535862722.db2.gz YZTWTIDDNZGNQO-MRXNPFEDSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419773073 535894151 /nfs/dbraw/zinc/89/41/51/535894151.db2.gz IPLJRQJGWYHMCE-HZPDHXFCSA-N 1 3 354.495 0.062 20 0 FCADHO CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000419848687 535943426 /nfs/dbraw/zinc/94/34/26/535943426.db2.gz WMNOOIKAHWHIPP-QGZVFWFLSA-N 1 3 358.486 0.978 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000419136514 536367963 /nfs/dbraw/zinc/36/79/63/536367963.db2.gz PGTSGUOIWPXCBN-OAHLLOKOSA-N 1 3 364.515 0.897 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419163114 536368090 /nfs/dbraw/zinc/36/80/90/536368090.db2.gz JCXHCLHCRXJLFC-MSOLQXFVSA-N 1 3 374.485 0.214 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2(N3CCC(OC)CC3)CCCC2)C1 ZINC000419756471 536368470 /nfs/dbraw/zinc/36/84/70/536368470.db2.gz SEUDDHSNMWQZOU-OAHLLOKOSA-N 1 3 366.506 0.347 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000419194815 536416612 /nfs/dbraw/zinc/41/66/12/536416612.db2.gz UETYGWUTSRWTPC-SFHVURJKSA-N 1 3 358.486 0.630 20 0 FCADHO COCCCN1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433380717 536546832 /nfs/dbraw/zinc/54/68/32/536546832.db2.gz DXDTVTRSXXOXQO-HNNXBMFYSA-N 1 3 350.467 0.433 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@H](CN)C1 ZINC000423671755 536734597 /nfs/dbraw/zinc/73/45/97/536734597.db2.gz NMRFHUIMGPJFGA-HOTGVXAUSA-N 1 3 356.511 0.528 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419673295 536780426 /nfs/dbraw/zinc/78/04/26/536780426.db2.gz HCWMZGWOPPXOAU-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCSC1 ZINC000550831214 547108834 /nfs/dbraw/zinc/10/88/34/547108834.db2.gz TZDWSZQTMQZOOL-QGZVFWFLSA-N 1 3 356.536 0.532 20 0 FCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550838231 547109650 /nfs/dbraw/zinc/10/96/50/547109650.db2.gz AFNYGRMKZQSDRC-WMLDXEAASA-N 1 3 356.536 0.483 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550835716 547110119 /nfs/dbraw/zinc/11/01/19/547110119.db2.gz MCTBGMKJPCQISV-MAUKXSAKSA-N 1 3 370.563 0.777 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000550835716 547110122 /nfs/dbraw/zinc/11/01/22/547110122.db2.gz MCTBGMKJPCQISV-MAUKXSAKSA-N 1 3 370.563 0.777 20 0 FCADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nc(C)cs1 ZINC000553669592 547299749 /nfs/dbraw/zinc/29/97/49/547299749.db2.gz HICLQHRAMYDDCQ-CQSZACIVSA-N 1 3 369.535 0.971 20 0 FCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000553686783 547300729 /nfs/dbraw/zinc/30/07/29/547300729.db2.gz JZEOZXPBSZROJF-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000553686783 547300734 /nfs/dbraw/zinc/30/07/34/547300734.db2.gz JZEOZXPBSZROJF-HZPDHXFCSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC000949206090 674397242 /nfs/dbraw/zinc/39/72/42/674397242.db2.gz LPVATDHAUUSJNS-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC000949206090 674397243 /nfs/dbraw/zinc/39/72/43/674397243.db2.gz LPVATDHAUUSJNS-ZACQAIPSSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480524 606860646 /nfs/dbraw/zinc/86/06/46/606860646.db2.gz LMLSGKKUSQXCML-KSSFIOAISA-N 1 3 374.489 0.925 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480524 606860648 /nfs/dbraw/zinc/86/06/48/606860648.db2.gz LMLSGKKUSQXCML-KSSFIOAISA-N 1 3 374.489 0.925 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480524 606860650 /nfs/dbraw/zinc/86/06/50/606860650.db2.gz LMLSGKKUSQXCML-KSSFIOAISA-N 1 3 374.489 0.925 20 0 FCADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480524 606860651 /nfs/dbraw/zinc/86/06/51/606860651.db2.gz LMLSGKKUSQXCML-KSSFIOAISA-N 1 3 374.489 0.925 20 0 FCADHO CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231691 665933261 /nfs/dbraw/zinc/93/32/61/665933261.db2.gz XBYWNZAMFXVRGU-IRXDYDNUSA-N 1 3 352.523 0.772 20 0 FCADHO CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231691 665933264 /nfs/dbraw/zinc/93/32/64/665933264.db2.gz XBYWNZAMFXVRGU-IRXDYDNUSA-N 1 3 352.523 0.772 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1)[NH+](C)C ZINC001022353466 663439488 /nfs/dbraw/zinc/43/94/88/663439488.db2.gz SZCIBUZWQAKDCR-YLFCFFPRSA-N 1 3 350.507 0.726 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000933848411 663444718 /nfs/dbraw/zinc/44/47/18/663444718.db2.gz TUUDTELVRWXDCU-MRXNPFEDSA-N 1 3 350.507 0.779 20 0 FCADHO C[C@H]1CC[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C[NH2+]1 ZINC000892292290 663523018 /nfs/dbraw/zinc/52/30/18/663523018.db2.gz AEFJGMKDSUVJMN-GJZGRUSLSA-N 1 3 351.495 0.642 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023377990 663620354 /nfs/dbraw/zinc/62/03/54/663620354.db2.gz ZMTVQHFELLAWRI-OWCLPIDISA-N 1 3 351.495 0.180 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023377990 663620355 /nfs/dbraw/zinc/62/03/55/663620355.db2.gz ZMTVQHFELLAWRI-OWCLPIDISA-N 1 3 351.495 0.180 20 0 FCADHO CO[C@@H]1CCOC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522256 664017905 /nfs/dbraw/zinc/01/79/05/664017905.db2.gz VHJWXXLSLVEIRG-IAGOWNOFSA-N 1 3 354.495 0.648 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000892651523 664059226 /nfs/dbraw/zinc/05/92/26/664059226.db2.gz ZLLQHGCBUOYTJY-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000892651523 664059228 /nfs/dbraw/zinc/05/92/28/664059228.db2.gz ZLLQHGCBUOYTJY-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO CC(C)CCN1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000924950464 664942380 /nfs/dbraw/zinc/94/23/80/664942380.db2.gz OLFKKDIJYZXSCC-UHFFFAOYSA-N 1 3 360.568 0.664 20 0 FCADHO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1C1CCN([C@@H]2CCOC2)CC1 ZINC000925000560 664956229 /nfs/dbraw/zinc/95/62/29/664956229.db2.gz NZPXUAFZRLQZJE-CVEARBPZSA-N 1 3 350.463 0.646 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC001029966336 665219743 /nfs/dbraw/zinc/21/97/43/665219743.db2.gz QQXHYVUTPBPSJP-BBWFWOEESA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC001029966336 665219746 /nfs/dbraw/zinc/21/97/46/665219746.db2.gz QQXHYVUTPBPSJP-BBWFWOEESA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000988010161 665272004 /nfs/dbraw/zinc/27/20/04/665272004.db2.gz HFMNNLWLENKERM-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000988010161 665272005 /nfs/dbraw/zinc/27/20/05/665272005.db2.gz HFMNNLWLENKERM-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)N2CCC(CCN3CCOCC3)CC2)C1 ZINC000906459472 666053768 /nfs/dbraw/zinc/05/37/68/666053768.db2.gz MSLPYYZJOJVAKB-UHFFFAOYSA-N 1 3 352.523 0.441 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)N2CCC(CCN3CCOCC3)CC2)C1 ZINC000906459472 666053771 /nfs/dbraw/zinc/05/37/71/666053771.db2.gz MSLPYYZJOJVAKB-UHFFFAOYSA-N 1 3 352.523 0.441 20 0 FCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000911336794 666338251 /nfs/dbraw/zinc/33/82/51/666338251.db2.gz NNNWICWKFRSMIH-HOTGVXAUSA-N 1 3 352.479 0.004 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000938718038 666478545 /nfs/dbraw/zinc/47/85/45/666478545.db2.gz ZJSCDAJDAVEAPH-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000938718038 666478547 /nfs/dbraw/zinc/47/85/47/666478547.db2.gz ZJSCDAJDAVEAPH-DJIMGWMZSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000999199016 667230706 /nfs/dbraw/zinc/23/07/06/667230706.db2.gz FURSYPOHCBIKME-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000999199016 667230710 /nfs/dbraw/zinc/23/07/10/667230710.db2.gz FURSYPOHCBIKME-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001002460328 667543095 /nfs/dbraw/zinc/54/30/95/667543095.db2.gz DCKYIQBTELMMRL-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001002460328 667543098 /nfs/dbraw/zinc/54/30/98/667543098.db2.gz DCKYIQBTELMMRL-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001033092421 667669973 /nfs/dbraw/zinc/66/99/73/667669973.db2.gz SXJSHBGZFRZWTA-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001033092421 667669978 /nfs/dbraw/zinc/66/99/78/667669978.db2.gz SXJSHBGZFRZWTA-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(CC(=O)NC)C3)CC2)CC[N@@H+]1C ZINC001035186837 667775133 /nfs/dbraw/zinc/77/51/33/667775133.db2.gz LCINRCHATGBMII-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(CC(=O)NC)C3)CC2)CC[N@H+]1C ZINC001035186837 667775137 /nfs/dbraw/zinc/77/51/37/667775137.db2.gz LCINRCHATGBMII-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@H](C)C(N)=O)C3)CC2)CC[N@@H+]1C ZINC001035188296 667775457 /nfs/dbraw/zinc/77/54/57/667775457.db2.gz YRWVKUTWVYVGOQ-OWCLPIDISA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@H](C)C(N)=O)C3)CC2)CC[N@H+]1C ZINC001035188296 667775461 /nfs/dbraw/zinc/77/54/61/667775461.db2.gz YRWVKUTWVYVGOQ-OWCLPIDISA-N 1 3 350.507 0.905 20 0 FCADHO CC(C)OCC[C@H](O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923378444 667829474 /nfs/dbraw/zinc/82/94/74/667829474.db2.gz CKIXSMWVFRDNOY-BBWFWOEESA-N 1 3 354.495 0.383 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000946909156 667841823 /nfs/dbraw/zinc/84/18/23/667841823.db2.gz ICTRIKGKIGIGLA-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)CC[N@H+]1C ZINC000946909156 667841826 /nfs/dbraw/zinc/84/18/26/667841826.db2.gz ICTRIKGKIGIGLA-ZMSDIMECSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000761676982 667893558 /nfs/dbraw/zinc/89/35/58/667893558.db2.gz GBQYCYPVOWFGHU-HZPDHXFCSA-N 1 3 354.495 0.384 20 0 FCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000739020054 667935309 /nfs/dbraw/zinc/93/53/09/667935309.db2.gz CFADZUQVDTXQIJ-IAGOWNOFSA-N 1 3 354.495 0.650 20 0 FCADHO CC(=O)N1CCC(NC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799179830 669287931 /nfs/dbraw/zinc/28/79/31/669287931.db2.gz VUHMFRQJQABLDL-UHFFFAOYSA-N 1 3 350.507 0.921 20 0 FCADHO COC(=O)CS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817907782 670047811 /nfs/dbraw/zinc/04/78/11/670047811.db2.gz WLXHGXTXRFEJOY-CVEARBPZSA-N 1 3 354.472 0.991 20 0 FCADHO Cn1ccnc1[C@](O)(CC[NH2+]C[C@@H](O)CN1CCCC1)C(F)(F)F ZINC000863550899 672136333 /nfs/dbraw/zinc/13/63/33/672136333.db2.gz DSTGHNTXECKAJI-TZMCWYRMSA-N 1 3 350.385 0.606 20 0 FCADHO CN1CCN(C2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)CC1 ZINC000868355771 672395313 /nfs/dbraw/zinc/39/53/13/672395313.db2.gz NXWUXTYETQHGIO-SFHVURJKSA-N 1 3 369.579 0.845 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001051625324 676107192 /nfs/dbraw/zinc/10/71/92/676107192.db2.gz YVXNLOPTPCAMOO-XOKHGSTOSA-N 1 3 350.438 0.878 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3cncc(F)c3)C2)CC[N@H+]1C ZINC001051625324 676107193 /nfs/dbraw/zinc/10/71/93/676107193.db2.gz YVXNLOPTPCAMOO-XOKHGSTOSA-N 1 3 350.438 0.878 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884577691 673463637 /nfs/dbraw/zinc/46/36/37/673463637.db2.gz KQVDHOJYVJQMGY-FRRDWIJNSA-N 1 3 364.412 0.573 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611974 673465977 /nfs/dbraw/zinc/46/59/77/673465977.db2.gz AEBCILGWQHRFPA-ROUUACIJSA-N 1 3 370.563 0.763 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611973 673465982 /nfs/dbraw/zinc/46/59/82/673465982.db2.gz AEBCILGWQHRFPA-QZTJIDSGSA-N 1 3 370.563 0.763 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884616925 673466240 /nfs/dbraw/zinc/46/62/40/673466240.db2.gz FENKXIMUXJPGQV-LPHOPBHVSA-N 1 3 350.507 0.969 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000884775876 673481180 /nfs/dbraw/zinc/48/11/80/673481180.db2.gz KUXJDGUDVYRSEV-IHRRRGAJSA-N 1 3 358.433 0.481 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884785643 673482009 /nfs/dbraw/zinc/48/20/09/673482009.db2.gz BNOPMVQOVXAOJA-WCXIOVBPSA-N 1 3 350.507 0.870 20 0 FCADHO CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)[NH2+]C1 ZINC000884884399 673488642 /nfs/dbraw/zinc/48/86/42/673488642.db2.gz CESUTTCWMJEITR-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000884973704 673494731 /nfs/dbraw/zinc/49/47/31/673494731.db2.gz CTUQEFBYXJLDFA-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3[C@H](C)C(N)=O)CC[N@@H+]1C ZINC001048529212 675859486 /nfs/dbraw/zinc/85/94/86/675859486.db2.gz JKWFFMPDEPKIJA-RGGMIXCSSA-N 1 3 350.507 0.950 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3[C@H](C)C(N)=O)CC[N@H+]1C ZINC001048529212 675859490 /nfs/dbraw/zinc/85/94/90/675859490.db2.gz JKWFFMPDEPKIJA-RGGMIXCSSA-N 1 3 350.507 0.950 20 0 FCADHO CN1CCN(c2ncnc3c2CCN(C[C@H]2CCC[N@H+](C)C2)CC3)CC1 ZINC001208606277 1167934001 /nfs/dbraw/zinc/93/40/01/1167934001.db2.gz DRHNRTGPWZKCGJ-KRWDZBQOSA-N 1 3 358.534 0.971 20 0 FCADHO CN1CCN(c2ncnc3c2CCN(C[C@H]2CCC[N@@H+](C)C2)CC3)CC1 ZINC001208606277 1167934006 /nfs/dbraw/zinc/93/40/06/1167934006.db2.gz DRHNRTGPWZKCGJ-KRWDZBQOSA-N 1 3 358.534 0.971 20 0 FCADHO CN1CCN(c2ncnc3c2CC[N@H+](C[C@H]2CCCN(C)C2)CC3)CC1 ZINC001208606277 1167934010 /nfs/dbraw/zinc/93/40/10/1167934010.db2.gz DRHNRTGPWZKCGJ-KRWDZBQOSA-N 1 3 358.534 0.971 20 0 FCADHO CN1CCN(c2ncnc3c2CC[N@@H+](C[C@H]2CCCN(C)C2)CC3)CC1 ZINC001208606277 1167934013 /nfs/dbraw/zinc/93/40/13/1167934013.db2.gz DRHNRTGPWZKCGJ-KRWDZBQOSA-N 1 3 358.534 0.971 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1)N(C)C ZINC000970266932 1168675204 /nfs/dbraw/zinc/67/52/04/1168675204.db2.gz REODCPZWIVGYCX-IKGGRYGDSA-N 1 3 368.522 0.135 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104346667 1170130018 /nfs/dbraw/zinc/13/00/18/1170130018.db2.gz GVRLRPXVLGIGMH-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000971573153 1170559853 /nfs/dbraw/zinc/55/98/53/1170559853.db2.gz QHKSVCOXFSREQC-HRCADAONSA-N 1 3 364.490 0.398 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC000971573153 1170559857 /nfs/dbraw/zinc/55/98/57/1170559857.db2.gz QHKSVCOXFSREQC-HRCADAONSA-N 1 3 364.490 0.398 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)CCC1 ZINC001022212410 1170751241 /nfs/dbraw/zinc/75/12/41/1170751241.db2.gz CLIMSXPHIJHFAT-IXDOHACOSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)CCC1 ZINC001022212410 1170751245 /nfs/dbraw/zinc/75/12/45/1170751245.db2.gz CLIMSXPHIJHFAT-IXDOHACOSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001022219214 1170766342 /nfs/dbraw/zinc/76/63/42/1170766342.db2.gz LQQAGFFOGANPRA-YESZJQIVSA-N 1 3 360.502 0.483 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001691251409 1170890621 /nfs/dbraw/zinc/89/06/21/1170890621.db2.gz WUXMTXWLNNZYPL-HZSPNIEDSA-N 1 3 369.510 0.422 20 0 FCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001691251211 1170890698 /nfs/dbraw/zinc/89/06/98/1170890698.db2.gz PGZBZYWTLYOTMD-RRFJBIMHSA-N 1 3 366.506 0.644 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933848712 1171021145 /nfs/dbraw/zinc/02/11/45/1171021145.db2.gz PHPUVJSJDVBGDS-UHFFFAOYSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC001022723647 1171817348 /nfs/dbraw/zinc/81/73/48/1171817348.db2.gz BIHXBEUYQWLCEH-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC001022723647 1171817350 /nfs/dbraw/zinc/81/73/50/1171817350.db2.gz BIHXBEUYQWLCEH-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001023380908 1179509824 /nfs/dbraw/zinc/50/98/24/1179509824.db2.gz IWBRLSJBLCLATK-YESZJQIVSA-N 1 3 365.522 0.570 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(CCN3CCNC3=O)C2)CC[N@H+]1C ZINC001023380908 1179509847 /nfs/dbraw/zinc/50/98/47/1179509847.db2.gz IWBRLSJBLCLATK-YESZJQIVSA-N 1 3 365.522 0.570 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1)C1CCC1 ZINC000972648302 1180186307 /nfs/dbraw/zinc/18/63/07/1180186307.db2.gz FWHMCCOBPUSZKL-SZVBFZGTSA-N 1 3 362.518 0.870 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001691766084 1181516541 /nfs/dbraw/zinc/51/65/41/1181516541.db2.gz LJOVJOZSLKBJPK-RCCFBDPRSA-N 1 3 363.506 0.678 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1 ZINC000972995596 1181869705 /nfs/dbraw/zinc/86/97/05/1181869705.db2.gz XWVNMVDJVLAWOR-CGTJXYLNSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892789774 1182507276 /nfs/dbraw/zinc/50/72/76/1182507276.db2.gz SUIAOTOBIMGPNW-QGZVFWFLSA-N 1 3 361.490 0.362 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000975210604 1183773463 /nfs/dbraw/zinc/77/34/63/1183773463.db2.gz IVVOBXSNCJZWQN-BRWVUGGUSA-N 1 3 360.502 0.626 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21)N(C)C ZINC000975822433 1185819007 /nfs/dbraw/zinc/81/90/07/1185819007.db2.gz SPYGAMNSIGMPQQ-ULQDDVLXSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1)N(C)C ZINC000975821653 1185819059 /nfs/dbraw/zinc/81/90/59/1185819059.db2.gz FTUANIKFRDRNRQ-ULQDDVLXSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112529718 1186090380 /nfs/dbraw/zinc/09/03/80/1186090380.db2.gz LZIRRGDUFTVGAM-UWVAXJGDSA-N 1 3 362.518 0.921 20 0 FCADHO CCOC(=O)c1cnc2ccc(OC)nc2c1NC(=N)NCCCC[NH3+] ZINC001167883648 1186654880 /nfs/dbraw/zinc/65/48/80/1186654880.db2.gz KXTCUUCKOFQAGZ-UHFFFAOYSA-N 1 3 360.418 0.912 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001691501316 1186684314 /nfs/dbraw/zinc/68/43/14/1186684314.db2.gz MYYPMRFKKQCODA-ZQDZILKHSA-N 1 3 363.462 0.828 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001691501316 1186684317 /nfs/dbraw/zinc/68/43/17/1186684317.db2.gz MYYPMRFKKQCODA-ZQDZILKHSA-N 1 3 363.462 0.828 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@]3(C)CN(CCn4cncn4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000982282582 1186697595 /nfs/dbraw/zinc/69/75/95/1186697595.db2.gz CJVRWVNESGEMQL-RWQQGDIJSA-N 1 3 360.506 0.789 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@]3(C)CN(CCn4cncn4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000982282582 1186697600 /nfs/dbraw/zinc/69/76/00/1186697600.db2.gz CJVRWVNESGEMQL-RWQQGDIJSA-N 1 3 360.506 0.789 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001028553207 1187604734 /nfs/dbraw/zinc/60/47/34/1187604734.db2.gz FLZBZODEXNPRKM-HRCADAONSA-N 1 3 364.490 0.304 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001028553207 1187604736 /nfs/dbraw/zinc/60/47/36/1187604736.db2.gz FLZBZODEXNPRKM-HRCADAONSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C(=O)NC1CC1 ZINC001112535849 1188322573 /nfs/dbraw/zinc/32/25/73/1188322573.db2.gz DHSIIPZBAZUZOO-TYILLQQXSA-N 1 3 359.474 0.838 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000550409825 1188356837 /nfs/dbraw/zinc/35/68/37/1188356837.db2.gz BNVXEIMUMZXYQW-MOPGFXCFSA-N 1 3 372.513 0.972 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC000985164051 1190660744 /nfs/dbraw/zinc/66/07/44/1190660744.db2.gz JVFCOMYSIUKWLX-IXDOHACOSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)C1 ZINC000986138264 1190904293 /nfs/dbraw/zinc/90/42/93/1190904293.db2.gz VLXWPYXHWOSPRS-KSZLIROESA-N 1 3 362.518 0.731 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)C1 ZINC000986138264 1190904296 /nfs/dbraw/zinc/90/42/96/1190904296.db2.gz VLXWPYXHWOSPRS-KSZLIROESA-N 1 3 362.518 0.731 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C[C@H]2C1)[NH+](C)C ZINC000986623161 1191069131 /nfs/dbraw/zinc/06/91/31/1191069131.db2.gz AJWLZLAQZPNKKE-XMTFNYHQSA-N 1 3 364.534 0.974 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000550652284 1193724871 /nfs/dbraw/zinc/72/48/71/1193724871.db2.gz BOBCWNCUNIJWPU-MRXNPFEDSA-N 1 3 368.522 0.452 20 0 FCADHO CN1CCN(c2ccc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)nc2)CC1 ZINC001218516000 1224165791 /nfs/dbraw/zinc/16/57/91/1224165791.db2.gz QCWUBOWSYLGZPI-INIZCTEOSA-N 1 3 358.490 0.646 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000551077732 1193831808 /nfs/dbraw/zinc/83/18/08/1193831808.db2.gz TVKMZCJURFVSIC-INIZCTEOSA-N 1 3 368.522 0.594 20 0 FCADHO CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654838 1193859444 /nfs/dbraw/zinc/85/94/44/1193859444.db2.gz BUWUFVDWDLZMGD-RWQQGDIJSA-N 1 3 364.490 0.955 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CCCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105669264 1193967414 /nfs/dbraw/zinc/96/74/14/1193967414.db2.gz QOCKYGFJOGOBLT-LTDCPUDJSA-N 1 3 368.522 0.170 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088792515 1194003409 /nfs/dbraw/zinc/00/34/09/1194003409.db2.gz RSSNUEUMCHCZDV-IKGGRYGDSA-N 1 3 363.506 0.697 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001088792515 1194003411 /nfs/dbraw/zinc/00/34/11/1194003411.db2.gz RSSNUEUMCHCZDV-IKGGRYGDSA-N 1 3 363.506 0.697 20 0 FCADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076247883 1194367202 /nfs/dbraw/zinc/36/72/02/1194367202.db2.gz LBUUJTQLSXLHKC-GBESFXJTSA-N 1 3 370.497 0.826 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001218835303 1224234880 /nfs/dbraw/zinc/23/48/80/1224234880.db2.gz CEGZLAIQXJYXFQ-WFASDCNBSA-N 1 3 374.445 0.654 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)cc2)CC1 ZINC001218845632 1224239045 /nfs/dbraw/zinc/23/90/45/1224239045.db2.gz FWUWEOOQDSPING-YLJYHZDGSA-N 1 3 357.502 0.714 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)cc2)CC1 ZINC001218845477 1224239702 /nfs/dbraw/zinc/23/97/02/1224239702.db2.gz BFKRHAVYVLABCP-GGPKGHCWSA-N 1 3 357.502 0.984 20 0 FCADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1O ZINC001076812657 1195034767 /nfs/dbraw/zinc/03/47/67/1195034767.db2.gz OXLDQJNEIPNCFG-GUDVDZBRSA-N 1 3 359.470 0.515 20 0 FCADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1O ZINC001076812657 1195034772 /nfs/dbraw/zinc/03/47/72/1195034772.db2.gz OXLDQJNEIPNCFG-GUDVDZBRSA-N 1 3 359.470 0.515 20 0 FCADHO CC[C@@]1(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2)CCC(=O)NC1=O ZINC001218950728 1224270965 /nfs/dbraw/zinc/27/09/65/1224270965.db2.gz XRLKKGRFPGANFE-YWZLYKJASA-N 1 3 370.453 0.519 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418276 1195518407 /nfs/dbraw/zinc/51/84/07/1195518407.db2.gz LVUJLMRTAHRFEP-MOXMWUHRSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001077418276 1195518412 /nfs/dbraw/zinc/51/84/12/1195518412.db2.gz LVUJLMRTAHRFEP-MOXMWUHRSA-N 1 3 363.502 0.591 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000910833045 1195851563 /nfs/dbraw/zinc/85/15/63/1195851563.db2.gz ZHNXJILKHZIWEI-MRXNPFEDSA-N 1 3 359.474 0.673 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCCCC2)CC[N@@H+]1C ZINC001272424936 1197072803 /nfs/dbraw/zinc/07/28/03/1197072803.db2.gz DYNBHJKQWJKZAS-HYVNUMGLSA-N 1 3 368.522 0.232 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCCCC2)CC[N@H+]1C ZINC001272424936 1197072809 /nfs/dbraw/zinc/07/28/09/1197072809.db2.gz DYNBHJKQWJKZAS-HYVNUMGLSA-N 1 3 368.522 0.232 20 0 FCADHO Cn1cncc1C[C@H](N)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288112 1224415071 /nfs/dbraw/zinc/41/50/71/1224415071.db2.gz IXFPSYGTUPHJGH-HNNXBMFYSA-N 1 3 360.437 0.995 20 0 FCADHO CN(CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049973 1197741628 /nfs/dbraw/zinc/74/16/28/1197741628.db2.gz ZPGCTPLRABZILU-TWOQFEAHSA-N 1 3 362.518 0.729 20 0 FCADHO CN(CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1)C1CCC1 ZINC000993049973 1197741632 /nfs/dbraw/zinc/74/16/32/1197741632.db2.gz ZPGCTPLRABZILU-TWOQFEAHSA-N 1 3 362.518 0.729 20 0 FCADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247442 1197779117 /nfs/dbraw/zinc/77/91/17/1197779117.db2.gz ZMEAKUIJXRGQJY-NVXWUHKLSA-N 1 3 368.522 0.308 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255564 1197792291 /nfs/dbraw/zinc/79/22/91/1197792291.db2.gz XVXVIRKYBHODFZ-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106308867 1197861078 /nfs/dbraw/zinc/86/10/78/1197861078.db2.gz FMBAQBLNVZXVNS-RBSFLKMASA-N 1 3 369.510 0.247 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106336695 1197868412 /nfs/dbraw/zinc/86/84/12/1197868412.db2.gz ZXSNWQVRXITKBY-ZACQAIPSSA-N 1 3 365.522 0.658 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106339247 1197869899 /nfs/dbraw/zinc/86/98/99/1197869899.db2.gz BOVDHBLPHSCQGA-HZPDHXFCSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@@H](N)C1 ZINC001169170483 1199053468 /nfs/dbraw/zinc/05/34/68/1199053468.db2.gz VZHNJGGRVPWGHZ-ZIAGYGMSSA-N 1 3 362.478 0.416 20 0 FCADHO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@@H](N)C1 ZINC001169170483 1199053475 /nfs/dbraw/zinc/05/34/75/1199053475.db2.gz VZHNJGGRVPWGHZ-ZIAGYGMSSA-N 1 3 362.478 0.416 20 0 FCADHO CC(=O)N1CCC[C@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C1 ZINC001169605104 1199080290 /nfs/dbraw/zinc/08/02/90/1199080290.db2.gz IYTCQAUCHWWELP-SFHVURJKSA-N 1 3 360.502 0.821 20 0 FCADHO CC(=O)N1CCC[C@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C1 ZINC001169605104 1199080299 /nfs/dbraw/zinc/08/02/99/1199080299.db2.gz IYTCQAUCHWWELP-SFHVURJKSA-N 1 3 360.502 0.821 20 0 FCADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538882 1200371740 /nfs/dbraw/zinc/37/17/40/1200371740.db2.gz XPDOFFXUHTWYSH-OWEAFNKSSA-N 1 3 363.502 0.998 20 0 FCADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538882 1200371743 /nfs/dbraw/zinc/37/17/43/1200371743.db2.gz XPDOFFXUHTWYSH-OWEAFNKSSA-N 1 3 363.502 0.998 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219787935 1224613518 /nfs/dbraw/zinc/61/35/18/1224613518.db2.gz NMFUBCWEUGFVQW-UXLLHSPISA-N 1 3 363.506 0.592 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001109982518 1200675239 /nfs/dbraw/zinc/67/52/39/1200675239.db2.gz GUQJRJLZMASWPA-OWSLCNJRSA-N 1 3 363.502 0.999 20 0 FCADHO Cn1ccc(CNC[C@]23CCC[C@H]2CN(C(=O)COCC[NH+](C)C)C3)n1 ZINC001112563607 1200797359 /nfs/dbraw/zinc/79/73/59/1200797359.db2.gz DYFKULRMMTYPHO-LPHOPBHVSA-N 1 3 363.506 0.717 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCCC1 ZINC000793703184 1201258930 /nfs/dbraw/zinc/25/89/30/1201258930.db2.gz WXVCMOBYUWJDSR-MRXNPFEDSA-N 1 3 368.522 0.546 20 0 FCADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129850207 1201404870 /nfs/dbraw/zinc/40/48/70/1201404870.db2.gz RYJLYRMPNNDUIU-KSZLIROESA-N 1 3 358.490 0.928 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129857652 1201406274 /nfs/dbraw/zinc/40/62/74/1201406274.db2.gz BHXDMHIFTOBZOY-HZMVEIRTSA-N 1 3 364.494 0.386 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129857652 1201406275 /nfs/dbraw/zinc/40/62/75/1201406275.db2.gz BHXDMHIFTOBZOY-HZMVEIRTSA-N 1 3 364.494 0.386 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129878991 1201411543 /nfs/dbraw/zinc/41/15/43/1201411543.db2.gz MXYIZBQZPVJENO-OAGGEKHMSA-N 1 3 370.473 0.336 20 0 FCADHO CC[C@H](C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1)OC ZINC001129894772 1201428336 /nfs/dbraw/zinc/42/83/36/1201428336.db2.gz RXKKIPNUCLSKMB-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006187 1201476199 /nfs/dbraw/zinc/47/61/99/1201476199.db2.gz WZWYTPFRDJTUAS-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130024547 1201479010 /nfs/dbraw/zinc/47/90/10/1201479010.db2.gz WFXFEGNNHVHGSG-CVEARBPZSA-N 1 3 361.450 0.401 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130043811 1201485357 /nfs/dbraw/zinc/48/53/57/1201485357.db2.gz BASSULQZWLEQKH-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085979 1201494001 /nfs/dbraw/zinc/49/40/01/1201494001.db2.gz GMNJLYOOVVNHBY-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085979 1201494004 /nfs/dbraw/zinc/49/40/04/1201494004.db2.gz GMNJLYOOVVNHBY-ZACQAIPSSA-N 1 3 364.494 0.386 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130074598 1201494900 /nfs/dbraw/zinc/49/49/00/1201494900.db2.gz BSMKLJKOUIJYDZ-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130074598 1201494904 /nfs/dbraw/zinc/49/49/04/1201494904.db2.gz BSMKLJKOUIJYDZ-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130137310 1201515175 /nfs/dbraw/zinc/51/51/75/1201515175.db2.gz SGAQWHLZOAGYCV-SJORKVTESA-N 1 3 364.494 0.532 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001130137343 1201515368 /nfs/dbraw/zinc/51/53/68/1201515368.db2.gz UPIWBZWNLJGQBG-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[n-]1 ZINC001130238038 1201560874 /nfs/dbraw/zinc/56/08/74/1201560874.db2.gz QAQIGNDWXARQJN-ILXRZTDVSA-N 1 3 364.494 0.777 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[n-]1 ZINC001130238038 1201560876 /nfs/dbraw/zinc/56/08/76/1201560876.db2.gz QAQIGNDWXARQJN-ILXRZTDVSA-N 1 3 364.494 0.777 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](C[C@@H](C)O)CC1 ZINC001130307671 1201582628 /nfs/dbraw/zinc/58/26/28/1201582628.db2.gz YAXWOSRJEJFJKY-OGWOLHLISA-N 1 3 368.522 0.183 20 0 FCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033789 1224732860 /nfs/dbraw/zinc/73/28/60/1224732860.db2.gz IVWKFBGNOAHGDT-FYHDCADNSA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033789 1224732863 /nfs/dbraw/zinc/73/28/63/1224732863.db2.gz IVWKFBGNOAHGDT-FYHDCADNSA-N 1 3 363.502 0.757 20 0 FCADHO CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033473 1224733162 /nfs/dbraw/zinc/73/31/62/1224733162.db2.gz CZBCCVNERCPXIO-FWFFWDSWSA-N 1 3 365.518 0.837 20 0 FCADHO CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033473 1224733164 /nfs/dbraw/zinc/73/31/64/1224733164.db2.gz CZBCCVNERCPXIO-FWFFWDSWSA-N 1 3 365.518 0.837 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061494 1224741299 /nfs/dbraw/zinc/74/12/99/1224741299.db2.gz QGTRBGIQZADWRR-MOPGFXCFSA-N 1 3 363.502 0.992 20 0 FCADHO CN(CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)CC(C)(C)C ZINC001130672097 1202751660 /nfs/dbraw/zinc/75/16/60/1202751660.db2.gz GQTPXGCGPCOETG-DOTOQJQBSA-N 1 3 365.522 0.664 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672563 1202752506 /nfs/dbraw/zinc/75/25/06/1202752506.db2.gz SYXUBMQSFXGFQE-SOLBZPMBSA-N 1 3 363.506 0.682 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001130695275 1202757405 /nfs/dbraw/zinc/75/74/05/1202757405.db2.gz KVUYHCIQTQWJGJ-SOLBZPMBSA-N 1 3 363.506 0.682 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001130719666 1202766304 /nfs/dbraw/zinc/76/63/04/1202766304.db2.gz YNBFPWDNZQWQAW-XYJFISCASA-N 1 3 365.522 0.807 20 0 FCADHO COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001131010115 1202844289 /nfs/dbraw/zinc/84/42/89/1202844289.db2.gz ARMZXIYGCRYZRO-BZUAXINKSA-N 1 3 363.506 0.823 20 0 FCADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001131519347 1202908346 /nfs/dbraw/zinc/90/83/46/1202908346.db2.gz LXIZPYYAZUWAAZ-MLHJIOFPSA-N 1 3 371.522 0.320 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131538624 1202912788 /nfs/dbraw/zinc/91/27/88/1202912788.db2.gz QELDOWUDVMSBJN-MLHJIOFPSA-N 1 3 369.506 0.074 20 0 FCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126350 1203015751 /nfs/dbraw/zinc/01/57/51/1203015751.db2.gz MFDLBMPENKTLFO-MSOLQXFVSA-N 1 3 360.502 0.954 20 0 FCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126350 1203015752 /nfs/dbraw/zinc/01/57/52/1203015752.db2.gz MFDLBMPENKTLFO-MSOLQXFVSA-N 1 3 360.502 0.954 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000817926910 1203124836 /nfs/dbraw/zinc/12/48/36/1203124836.db2.gz WJHFLEIDRDTXBU-GOSISDBHSA-N 1 3 360.502 0.687 20 0 FCADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)OCCOCCOCCOCCO2 ZINC001170901032 1203137849 /nfs/dbraw/zinc/13/78/49/1203137849.db2.gz UGWWNZKNNJYSFT-SFHVURJKSA-N 1 3 369.462 0.943 20 0 FCADHO CN(C1CN(C(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671507 1203323420 /nfs/dbraw/zinc/32/34/20/1203323420.db2.gz SJVMPROUMSZHGW-WDSOQIARSA-N 1 3 359.470 0.553 20 0 FCADHO CN(C1CN(C(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671507 1203323424 /nfs/dbraw/zinc/32/34/24/1203323424.db2.gz SJVMPROUMSZHGW-WDSOQIARSA-N 1 3 359.470 0.553 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158875 1224791584 /nfs/dbraw/zinc/79/15/84/1224791584.db2.gz JGMZYSGCUSDIKK-ZRGWGRIASA-N 1 3 374.489 0.352 20 0 FCADHO COc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccc1OC1COC1 ZINC001220191856 1224799060 /nfs/dbraw/zinc/79/90/60/1224799060.db2.gz RCHCKLJRGRHEOO-AUUYWEPGSA-N 1 3 361.442 0.288 20 0 FCADHO [NH3+]C1CCN([C@H](C(=O)NCc2ncn3c2CNCCC3)c2ccco2)CC1 ZINC001220312144 1224826309 /nfs/dbraw/zinc/82/63/09/1224826309.db2.gz YGDJCWHWRMPGBK-SFHVURJKSA-N 1 3 372.473 0.750 20 0 FCADHO CC(C)(O)[C@H](N)C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354214 1224839825 /nfs/dbraw/zinc/83/98/25/1224839825.db2.gz OXLAGCJZXCPTHJ-ARFHVFGLSA-N 1 3 363.458 0.660 20 0 FCADHO O=C(CN1CC[NH2+]CC1)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220353242 1224840006 /nfs/dbraw/zinc/84/00/06/1224840006.db2.gz HQNWBCMWVBRZNM-ROUUACIJSA-N 1 3 374.485 0.467 20 0 FCADHO O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001220354658 1224840094 /nfs/dbraw/zinc/84/00/94/1224840094.db2.gz VSTOWZHHHZLLGT-PDOICOKGSA-N 1 3 373.453 0.693 20 0 FCADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220358019 1224841949 /nfs/dbraw/zinc/84/19/49/1224841949.db2.gz OGWKIQBPONOHOE-QZWWFDLISA-N 1 3 360.458 0.109 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357686 1224842570 /nfs/dbraw/zinc/84/25/70/1224842570.db2.gz PHUZLLCNVPZTEL-MOPGFXCFSA-N 1 3 363.502 0.992 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)N1CCCCC1 ZINC001091673113 1204818995 /nfs/dbraw/zinc/81/89/95/1204818995.db2.gz ZMECAVJAFDFNSW-GUXCAODWSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1)N1CCCCC1 ZINC001091673113 1204818997 /nfs/dbraw/zinc/81/89/97/1204818997.db2.gz ZMECAVJAFDFNSW-GUXCAODWSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091683143 1204821402 /nfs/dbraw/zinc/82/14/02/1204821402.db2.gz HDPOMNGMQNRQJE-NNFUDEMPSA-N 1 3 363.506 0.132 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091683143 1204821403 /nfs/dbraw/zinc/82/14/03/1204821403.db2.gz HDPOMNGMQNRQJE-NNFUDEMPSA-N 1 3 363.506 0.132 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996706 1204887348 /nfs/dbraw/zinc/88/73/48/1204887348.db2.gz QYEWFJDYQUNQLC-HYVNUMGLSA-N 1 3 363.506 0.417 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059709 1204943831 /nfs/dbraw/zinc/94/38/31/1204943831.db2.gz RNMYTEJWDMVMNZ-DJIMGWMZSA-N 1 3 364.494 0.108 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087061200 1204948341 /nfs/dbraw/zinc/94/83/41/1204948341.db2.gz UHNAEEHSLHYKIX-OIISXLGYSA-N 1 3 366.510 0.354 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCCO[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220478649 1224885641 /nfs/dbraw/zinc/88/56/41/1224885641.db2.gz GGNJEHWOUNRTLZ-KSZLIROESA-N 1 3 369.506 0.075 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1COC2(CNC2)CN1 ZINC001220491759 1224890669 /nfs/dbraw/zinc/89/06/69/1224890669.db2.gz CUKZNTZAZHLFOB-OKYOBFRVSA-N 1 3 370.497 0.629 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1COC2(CNC2)CN1 ZINC001220491759 1224890672 /nfs/dbraw/zinc/89/06/72/1224890672.db2.gz CUKZNTZAZHLFOB-OKYOBFRVSA-N 1 3 370.497 0.629 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093121220 1206026849 /nfs/dbraw/zinc/02/68/49/1206026849.db2.gz ZPZWOWHGHVJNPX-IIDMSEBBSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094238592 1206209731 /nfs/dbraw/zinc/20/97/31/1206209731.db2.gz XBGFUCKFYOJQGN-ZTFGCOKTSA-N 1 3 358.486 0.934 20 0 FCADHO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@H]2C)o1 ZINC001094224664 1206211432 /nfs/dbraw/zinc/21/14/32/1206211432.db2.gz WXBYYHJPVMGPAY-IJEWVQPXSA-N 1 3 365.478 0.530 20 0 FCADHO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580220 1206282519 /nfs/dbraw/zinc/28/25/19/1206282519.db2.gz RQRSRZIDLRNQGQ-QDMKHBRRSA-N 1 3 372.462 0.544 20 0 FCADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173580220 1206282522 /nfs/dbraw/zinc/28/25/22/1206282522.db2.gz RQRSRZIDLRNQGQ-QDMKHBRRSA-N 1 3 372.462 0.544 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@@H]2O)CC1 ZINC001220637298 1224978961 /nfs/dbraw/zinc/97/89/61/1224978961.db2.gz BBVXGRDKRHFUJR-MSOLQXFVSA-N 1 3 365.518 0.839 20 0 FCADHO CCOCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610889 1207466604 /nfs/dbraw/zinc/46/66/04/1207466604.db2.gz SLKAQQUHHCICJN-KZIZELGASA-N 1 3 363.502 0.809 20 0 FCADHO CCOCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610889 1207466605 /nfs/dbraw/zinc/46/66/05/1207466605.db2.gz SLKAQQUHHCICJN-KZIZELGASA-N 1 3 363.502 0.809 20 0 FCADHO CC(C)COC[C@H](O)CN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971156 1207492748 /nfs/dbraw/zinc/49/27/48/1207492748.db2.gz OIXISJNJNXNXED-RCCFBDPRSA-N 1 3 367.534 0.894 20 0 FCADHO CC(C)N1CC[C@H](N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971563 1207493442 /nfs/dbraw/zinc/49/34/42/1207493442.db2.gz WLZHVOHIPHPLIW-YESZJQIVSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCNC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001190238765 1207666476 /nfs/dbraw/zinc/66/64/76/1207666476.db2.gz PSHROFZVDHJRLN-BZUAXINKSA-N 1 3 367.538 0.957 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCNC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001190238765 1207666478 /nfs/dbraw/zinc/66/64/78/1207666478.db2.gz PSHROFZVDHJRLN-BZUAXINKSA-N 1 3 367.538 0.957 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCCO[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001196636935 1208098676 /nfs/dbraw/zinc/09/86/76/1208098676.db2.gz GGNJEHWOUNRTLZ-KZNAEPCWSA-N 1 3 369.506 0.075 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC3CC4(CCC4)C3)C[C@H]2O)CC1 ZINC001197319355 1208152332 /nfs/dbraw/zinc/15/23/32/1208152332.db2.gz BBVXGRDKRHFUJR-QZTJIDSGSA-N 1 3 365.518 0.839 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001273790109 1208374335 /nfs/dbraw/zinc/37/43/35/1208374335.db2.gz XCPVJIKFJSEIMQ-MRXNPFEDSA-N 1 3 366.506 0.299 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001489543241 1208903673 /nfs/dbraw/zinc/90/36/73/1208903673.db2.gz KIFZHITVQIJHNF-QBPKDAKJSA-N 1 3 370.538 0.501 20 0 FCADHO N[C@H]1CCCCN(CC(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)C1=O ZINC001220941635 1225149622 /nfs/dbraw/zinc/14/96/22/1225149622.db2.gz WVCQGRAVQOBNBF-KKUMJFAQSA-N 1 3 360.462 0.419 20 0 FCADHO CC1(C)C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CCO1 ZINC001220953133 1225155870 /nfs/dbraw/zinc/15/58/70/1225155870.db2.gz MFYYAAAXXICGNS-JYJNAYRXSA-N 1 3 368.522 0.755 20 0 FCADHO CC(C)[C@@H]1CN(C(=O)CC(O)CC(=O)N2CC[NH2+][C@H](C(C)C)C2)CCN1 ZINC000856490129 1209713525 /nfs/dbraw/zinc/71/35/25/1209713525.db2.gz WOAUNXHRHMBMCY-IRXDYDNUSA-N 1 3 368.522 0.040 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857244630 1209748040 /nfs/dbraw/zinc/74/80/40/1209748040.db2.gz IYZQAIWVJIBEBV-RXVVDRJESA-N 1 3 372.513 0.959 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975905 1225169057 /nfs/dbraw/zinc/16/90/57/1225169057.db2.gz AFVNMKKCXOPKKH-UHOSZYNNSA-N 1 3 361.486 0.959 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCOc3ccccc3)C[C@@H]2O)C1 ZINC001220975905 1225169060 /nfs/dbraw/zinc/16/90/60/1225169060.db2.gz AFVNMKKCXOPKKH-UHOSZYNNSA-N 1 3 361.486 0.959 20 0 FCADHO Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)CN3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985764 1225174160 /nfs/dbraw/zinc/17/41/60/1225174160.db2.gz FFWZAKBNXLRNPM-QRQLOZEOSA-N 1 3 361.486 0.625 20 0 FCADHO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)CN3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985764 1225174165 /nfs/dbraw/zinc/17/41/65/1225174165.db2.gz FFWZAKBNXLRNPM-QRQLOZEOSA-N 1 3 361.486 0.625 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000868287445 1210049866 /nfs/dbraw/zinc/04/98/66/1210049866.db2.gz YVYNDACMKGJCJA-HUUCEWRRSA-N 1 3 359.474 0.715 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030197 1225191735 /nfs/dbraw/zinc/19/17/35/1225191735.db2.gz BJVWIJPZRVQXCU-HZPDHXFCSA-N 1 3 365.453 0.758 20 0 FCADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221030196 1225192199 /nfs/dbraw/zinc/19/21/99/1225192199.db2.gz BJVWIJPZRVQXCU-HOTGVXAUSA-N 1 3 365.453 0.758 20 0 FCADHO CN1CC[NH+](C2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000879596661 1210491217 /nfs/dbraw/zinc/49/12/17/1210491217.db2.gz PNGIYHJKIRYDCQ-QGZVFWFLSA-N 1 3 370.538 0.974 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2CC)ccn1 ZINC000882487268 1210623528 /nfs/dbraw/zinc/62/35/28/1210623528.db2.gz UFOIIZZFMQCELV-HZPDHXFCSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2CC)ccn1 ZINC000882487268 1210623535 /nfs/dbraw/zinc/62/35/35/1210623535.db2.gz UFOIIZZFMQCELV-HZPDHXFCSA-N 1 3 359.474 0.730 20 0 FCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001221113871 1225227052 /nfs/dbraw/zinc/22/70/52/1225227052.db2.gz DZMHCVUIJYCMSK-JXFKEZNVSA-N 1 3 358.486 0.978 20 0 FCADHO CCN(C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000884566196 1210752598 /nfs/dbraw/zinc/75/25/98/1210752598.db2.gz CZYJARSSGXQCLR-KRWDZBQOSA-N 1 3 358.486 0.412 20 0 FCADHO [NH3+][C@H](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)Cc1ccccc1 ZINC000884631517 1210767601 /nfs/dbraw/zinc/76/76/01/1210767601.db2.gz MZBDSBMWILXQBW-MSOLQXFVSA-N 1 3 358.486 0.663 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884656323 1210773390 /nfs/dbraw/zinc/77/33/90/1210773390.db2.gz BZCRKVXNUQMEID-HZPDHXFCSA-N 1 3 366.506 0.345 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000884706601 1210785500 /nfs/dbraw/zinc/78/55/00/1210785500.db2.gz IIFDZNWEJXRXJV-CVEARBPZSA-N 1 3 368.522 0.940 20 0 FCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CCNCCC12CCC2 ZINC000884796569 1210796858 /nfs/dbraw/zinc/79/68/58/1210796858.db2.gz JCPPPDVYCVWZFN-UHFFFAOYSA-N 1 3 362.518 0.969 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012790 1210808020 /nfs/dbraw/zinc/80/80/20/1210808020.db2.gz NGLKTWJWYPKRJI-MUJYYYPQSA-N 1 3 362.474 0.817 20 0 FCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000885136150 1210811449 /nfs/dbraw/zinc/81/14/49/1210811449.db2.gz MWPWYZROOLLBBY-OAHLLOKOSA-N 1 3 366.506 0.204 20 0 FCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885137886 1210811849 /nfs/dbraw/zinc/81/18/49/1210811849.db2.gz KPLQCHNUPMGYMJ-LSDHHAIUSA-N 1 3 366.506 0.250 20 0 FCADHO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715963 1210985198 /nfs/dbraw/zinc/98/51/98/1210985198.db2.gz CZILEPQPWFCJMH-HNNXBMFYSA-N 1 3 361.490 0.682 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001274418807 1211049533 /nfs/dbraw/zinc/04/95/33/1211049533.db2.gz LKHCKROKRFTALK-QGZVFWFLSA-N 1 3 362.518 0.731 20 0 FCADHO 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/nfs/dbraw/zinc/47/13/93/1219471393.db2.gz OZIGPJWHIGYZJN-UWWQBHOKSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCc2ccnn2C)c1 ZINC001070563989 1219471398 /nfs/dbraw/zinc/47/13/98/1219471398.db2.gz OZIGPJWHIGYZJN-UWWQBHOKSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070719051 1219541607 /nfs/dbraw/zinc/54/16/07/1219541607.db2.gz QLEYZNWIEOJBTN-IAGOWNOFSA-N 1 3 371.489 0.297 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070720779 1219542963 /nfs/dbraw/zinc/54/29/63/1219542963.db2.gz HUVAQEXPASSOMM-QZTJIDSGSA-N 1 3 371.485 0.672 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228224456 1225901633 /nfs/dbraw/zinc/90/16/33/1225901633.db2.gz HVCSVENPRDWYQV-HZPDHXFCSA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001071072710 1219600479 /nfs/dbraw/zinc/60/04/79/1219600479.db2.gz JAWWEXDEHWHTAQ-LIAUFEBVSA-N 1 3 363.502 0.855 20 0 FCADHO C[C@@H]1CN(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000726259107 1219644125 /nfs/dbraw/zinc/64/41/25/1219644125.db2.gz RCVGNBKSUZHZHH-MRXNPFEDSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)CC[N@@H+]1C ZINC001098845389 1219839417 /nfs/dbraw/zinc/83/94/17/1219839417.db2.gz VSXNFDODUOMGQP-YZLZLFLDSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCCC2=O)C3)CC[N@H+]1C ZINC001098845389 1219839418 /nfs/dbraw/zinc/83/94/18/1219839418.db2.gz VSXNFDODUOMGQP-YZLZLFLDSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001228444967 1225924068 /nfs/dbraw/zinc/92/40/68/1225924068.db2.gz KAGUIQRGAQHUOR-IIAWOOMASA-N 1 3 367.494 0.141 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228444573 1225924720 /nfs/dbraw/zinc/92/47/20/1225924720.db2.gz DHXYUMWIXSOLOZ-IIAWOOMASA-N 1 3 369.510 0.435 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2C(=O)CCC2=O)C3)C1 ZINC001099159532 1219935249 /nfs/dbraw/zinc/93/52/49/1219935249.db2.gz HNLYCMUUFSNOPT-VCBZYWHSSA-N 1 3 362.474 0.058 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2C(=O)CCC2=O)C3)C1 ZINC001099159532 1219935253 /nfs/dbraw/zinc/93/52/53/1219935253.db2.gz HNLYCMUUFSNOPT-VCBZYWHSSA-N 1 3 362.474 0.058 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001099447207 1220000097 /nfs/dbraw/zinc/00/00/97/1220000097.db2.gz ZAJRFKZYRYRWQF-KNBMTAEXSA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1)N(C)C ZINC001228647434 1225940560 /nfs/dbraw/zinc/94/05/60/1225940560.db2.gz SPCUIRQHZKSKPW-ZACQAIPSSA-N 1 3 368.522 0.639 20 0 FCADHO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375532 1220309054 /nfs/dbraw/zinc/30/90/54/1220309054.db2.gz XSLDSJDNSMMRTN-SUMDDJOVSA-N 1 3 364.490 0.766 20 0 FCADHO CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375532 1220309059 /nfs/dbraw/zinc/30/90/59/1220309059.db2.gz XSLDSJDNSMMRTN-SUMDDJOVSA-N 1 3 364.490 0.766 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460462 1220358823 /nfs/dbraw/zinc/35/88/23/1220358823.db2.gz GRXJJWGCXATAIK-FCEWJHQRSA-N 1 3 365.522 0.426 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460462 1220358829 /nfs/dbraw/zinc/35/88/29/1220358829.db2.gz GRXJJWGCXATAIK-FCEWJHQRSA-N 1 3 365.522 0.426 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001102330437 1220584579 /nfs/dbraw/zinc/58/45/79/1220584579.db2.gz VEWBNOHYERHZAR-JFIYKMOQSA-N 1 3 368.522 0.116 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368320 1220597569 /nfs/dbraw/zinc/59/75/69/1220597569.db2.gz PODYQYVYPNHRJB-BRWVUGGUSA-N 1 3 367.538 0.862 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102368320 1220597575 /nfs/dbraw/zinc/59/75/75/1220597575.db2.gz PODYQYVYPNHRJB-BRWVUGGUSA-N 1 3 367.538 0.862 20 0 FCADHO C[C@H](COCC(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C)[NH+]1CCCC1 ZINC001102384955 1220603339 /nfs/dbraw/zinc/60/33/39/1220603339.db2.gz KWGKDENTSLRPAV-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599022 1220721291 /nfs/dbraw/zinc/72/12/91/1220721291.db2.gz LIDODMSGRNEMPO-OAGGEKHMSA-N 1 3 364.490 0.352 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001229215597 1225990258 /nfs/dbraw/zinc/99/02/58/1225990258.db2.gz YJOXEVMSYRXKSI-GVDBMIGSSA-N 1 3 368.522 0.498 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001229229959 1225990826 /nfs/dbraw/zinc/99/08/26/1225990826.db2.gz FJSFEEGZKOFGOV-GVDBMIGSSA-N 1 3 368.522 0.329 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993702 1220817568 /nfs/dbraw/zinc/81/75/68/1220817568.db2.gz FORQEBHTALVTTO-KBAYOESNSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083955 1220831318 /nfs/dbraw/zinc/83/13/18/1220831318.db2.gz QITBUNIUYUAFOJ-KFWWJZLASA-N 1 3 364.490 0.350 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083955 1220831321 /nfs/dbraw/zinc/83/13/21/1220831321.db2.gz QITBUNIUYUAFOJ-KFWWJZLASA-N 1 3 364.490 0.350 20 0 FCADHO COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378700 1220873663 /nfs/dbraw/zinc/87/36/63/1220873663.db2.gz FYRWQWDYJFJXPT-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395991 1220877396 /nfs/dbraw/zinc/87/73/96/1220877396.db2.gz XLSSNKYUZNBOKJ-CRAIPNDOSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436389 1220882345 /nfs/dbraw/zinc/88/23/45/1220882345.db2.gz WCGYSLLHPKZOOD-JFIYKMOQSA-N 1 3 364.534 0.929 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001103436389 1220882347 /nfs/dbraw/zinc/88/23/47/1220882347.db2.gz WCGYSLLHPKZOOD-JFIYKMOQSA-N 1 3 364.534 0.929 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103550435 1220899691 /nfs/dbraw/zinc/89/96/91/1220899691.db2.gz QEXRNXVNSFSYQZ-SJLPKXTDSA-N 1 3 370.538 0.555 20 0 FCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001103550435 1220899689 /nfs/dbraw/zinc/89/96/89/1220899689.db2.gz QEXRNXVNSFSYQZ-SJLPKXTDSA-N 1 3 370.538 0.555 20 0 FCADHO COc1cc(CN2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)on1 ZINC001103643221 1220925972 /nfs/dbraw/zinc/92/59/72/1220925972.db2.gz GUEQAVYCCJPVHE-HUUCEWRRSA-N 1 3 368.478 0.836 20 0 FCADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662826 1220932957 /nfs/dbraw/zinc/93/29/57/1220932957.db2.gz TWXQISWREUFZDQ-QLFBSQMISA-N 1 3 369.510 0.376 20 0 FCADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103662826 1220932960 /nfs/dbraw/zinc/93/29/60/1220932960.db2.gz TWXQISWREUFZDQ-QLFBSQMISA-N 1 3 369.510 0.376 20 0 FCADHO COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755624 1220966194 /nfs/dbraw/zinc/96/61/94/1220966194.db2.gz MVRCEFUQQJEYNK-IAGOWNOFSA-N 1 3 370.538 0.554 20 0 FCADHO COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755624 1220966198 /nfs/dbraw/zinc/96/61/98/1220966198.db2.gz MVRCEFUQQJEYNK-IAGOWNOFSA-N 1 3 370.538 0.554 20 0 FCADHO CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001103999728 1220997060 /nfs/dbraw/zinc/99/70/60/1220997060.db2.gz JPZLEVUDZUGJKC-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cnccn1 ZINC001229503540 1226014879 /nfs/dbraw/zinc/01/48/79/1226014879.db2.gz KJENNUPFTDARNY-HUUCEWRRSA-N 1 3 362.478 0.774 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cnccn1 ZINC001229503540 1226014885 /nfs/dbraw/zinc/01/48/85/1226014885.db2.gz KJENNUPFTDARNY-HUUCEWRRSA-N 1 3 362.478 0.774 20 0 FCADHO C[C@H](CC[NH+]1CCC2(CNC(=O)C2)CC1)N1CCC2(CNC(=O)C2)CC1 ZINC001116333839 1221354914 /nfs/dbraw/zinc/35/49/14/1221354914.db2.gz YCAZGZHCSMSEAO-MRXNPFEDSA-N 1 3 362.518 0.969 20 0 FCADHO CC(CN1CCC2(CNC(=O)C2)CC1)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001116333714 1221355029 /nfs/dbraw/zinc/35/50/29/1221355029.db2.gz SQJUMGRDNUDGPJ-UHFFFAOYSA-N 1 3 362.518 0.827 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001229860172 1226037483 /nfs/dbraw/zinc/03/74/83/1226037483.db2.gz NJRPFLHTWSTCFB-RRFJBIMHSA-N 1 3 369.510 0.579 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229933141 1226040341 /nfs/dbraw/zinc/04/03/41/1226040341.db2.gz IJNUJWHPMSWQLC-HZPDHXFCSA-N 1 3 365.478 0.430 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001117604208 1221587497 /nfs/dbraw/zinc/58/74/97/1221587497.db2.gz OSSRLYHWKXHNAP-OTWHNJEPSA-N 1 3 372.513 0.640 20 0 FCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001230284562 1226071800 /nfs/dbraw/zinc/07/18/00/1226071800.db2.gz KXHVQVKEUBVVME-GVDBMIGSSA-N 1 3 368.522 0.496 20 0 FCADHO CC(C)OC1CCC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001119137303 1221875926 /nfs/dbraw/zinc/87/59/26/1221875926.db2.gz VWERHBIOVIRLJI-UHFFFAOYSA-N 1 3 370.538 0.791 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC001120581433 1222106179 /nfs/dbraw/zinc/10/61/79/1222106179.db2.gz JLRMMHKHDVZGGM-LJQANCHMSA-N 1 3 371.485 0.859 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120643231 1222110589 /nfs/dbraw/zinc/11/05/89/1222110589.db2.gz YRUYGQPDGAGGGY-ULQDDVLXSA-N 1 3 366.506 0.386 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(Cc1ccc(=O)[nH]c1)CC2 ZINC001139467365 1222551169 /nfs/dbraw/zinc/55/11/69/1222551169.db2.gz HJYUMWYBEYKNRZ-UHFFFAOYSA-N 1 3 361.490 0.457 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841158959 1222811150 /nfs/dbraw/zinc/81/11/50/1222811150.db2.gz XCCFVJIUPZPQOL-MRXNPFEDSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000841162966 1222811654 /nfs/dbraw/zinc/81/16/54/1222811654.db2.gz AGJZQOVMWVOWMP-KRWDZBQOSA-N 1 3 373.501 0.977 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000841201796 1222813157 /nfs/dbraw/zinc/81/31/57/1222813157.db2.gz QVNGKCDRLDBILZ-KRWDZBQOSA-N 1 3 359.474 0.621 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CC[NH2+]1 ZINC000842267031 1222845182 /nfs/dbraw/zinc/84/51/82/1222845182.db2.gz WFNJSWSRPCUFIM-AEFFLSMTSA-N 1 3 360.502 0.876 20 0 FCADHO CC(C)N(C(=O)CCN1CCN(C)CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001143224855 1222870868 /nfs/dbraw/zinc/87/08/68/1222870868.db2.gz FMKAFKHOAHNRMI-UHFFFAOYSA-N 1 3 360.506 0.544 20 0 FCADHO Cc1ccc([C@@H](C(=O)N(C)C[C@@H]2CNCCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720578 1223081173 /nfs/dbraw/zinc/08/11/73/1223081173.db2.gz MCCARHSXGRMXLQ-OALUTQOASA-N 1 3 360.502 0.778 20 0 FCADHO C[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001157900660 1223084252 /nfs/dbraw/zinc/08/42/52/1223084252.db2.gz OSPCHBVACKYGGX-TXPKVOOTSA-N 1 3 368.522 0.445 20 0 FCADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170158 1223090390 /nfs/dbraw/zinc/09/03/90/1223090390.db2.gz WKWNEIBCYFXVMB-AWEZNQCLSA-N 1 3 360.462 0.059 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H](N)c1cccc(OC)c1 ZINC001158497777 1223100490 /nfs/dbraw/zinc/10/04/90/1223100490.db2.gz HQEFUTYXXJCEEZ-PQEBFOHHSA-N 1 3 361.442 0.837 20 0 FCADHO Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC3)cn1 ZINC001158991967 1223114624 /nfs/dbraw/zinc/11/46/24/1223114624.db2.gz RXXCPPVEDDFIPI-DOTOQJQBSA-N 1 3 361.490 0.612 20 0 FCADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001159133923 1223118295 /nfs/dbraw/zinc/11/82/95/1223118295.db2.gz LAUYPAUGVYLAKE-GBESFXJTSA-N 1 3 372.517 0.007 20 0 FCADHO CC(C)(C)N(C(=O)[C@H](N)CCCNC(N)=O)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160380 1223119464 /nfs/dbraw/zinc/11/94/64/1223119464.db2.gz JNXZGTCZLTUQEO-UONOGXRCSA-N 1 3 369.510 0.300 20 0 FCADHO N[C@H](C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159210151 1223120898 /nfs/dbraw/zinc/12/08/98/1223120898.db2.gz OYUJNXIDMNILKE-MLHJIOFPSA-N 1 3 360.458 0.151 20 0 FCADHO Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159367865 1223125242 /nfs/dbraw/zinc/12/52/42/1223125242.db2.gz LVIOJVNGOCKJQB-RDJZCZTQSA-N 1 3 372.473 0.524 20 0 FCADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)c2ccccc2)CC3)CC1 ZINC001159417453 1223126570 /nfs/dbraw/zinc/12/65/70/1223126570.db2.gz PSSMNQUCOUUWIA-IBGZPJMESA-N 1 3 368.485 0.673 20 0 FCADHO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)c2ccccc2)CC3)CC1 ZINC001159417453 1223126571 /nfs/dbraw/zinc/12/65/71/1223126571.db2.gz PSSMNQUCOUUWIA-IBGZPJMESA-N 1 3 368.485 0.673 20 0 FCADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC3)CC1 ZINC001159417453 1223126573 /nfs/dbraw/zinc/12/65/73/1223126573.db2.gz PSSMNQUCOUUWIA-IBGZPJMESA-N 1 3 368.485 0.673 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC001159437021 1223127345 /nfs/dbraw/zinc/12/73/45/1223127345.db2.gz QTTMNLQHPSPUJN-MRXNPFEDSA-N 1 3 369.444 0.952 20 0 FCADHO N[C@@H](C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585325 1223130356 /nfs/dbraw/zinc/13/03/56/1223130356.db2.gz PXJLTZKBSVLRNK-CRAIPNDOSA-N 1 3 361.490 0.595 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001159747040 1223135653 /nfs/dbraw/zinc/13/56/53/1223135653.db2.gz MTGWZRDNVBGWHS-OKZBNKHCSA-N 1 3 374.485 0.442 20 0 FCADHO N[C@@H](C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799686 1223137014 /nfs/dbraw/zinc/13/70/14/1223137014.db2.gz SWCRFFBKVDFBGY-WMLDXEAASA-N 1 3 357.462 0.065 20 0 FCADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CCO2 ZINC001160177973 1223147895 /nfs/dbraw/zinc/14/78/95/1223147895.db2.gz DCPSLSRIQSXBGT-QFBILLFUSA-N 1 3 364.490 0.101 20 0 FCADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CCO2 ZINC001160177973 1223147898 /nfs/dbraw/zinc/14/78/98/1223147898.db2.gz DCPSLSRIQSXBGT-QFBILLFUSA-N 1 3 364.490 0.101 20 0 FCADHO O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]2C1 ZINC001160192080 1223149168 /nfs/dbraw/zinc/14/91/68/1223149168.db2.gz QXNOLXZSXQMQNH-SGWZHLPASA-N 1 3 360.502 0.339 20 0 FCADHO O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001160203510 1223149546 /nfs/dbraw/zinc/14/95/46/1223149546.db2.gz WPKZHEOAWNNAEQ-DLBZAZTESA-N 1 3 374.529 0.731 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001160436639 1223159738 /nfs/dbraw/zinc/15/97/38/1223159738.db2.gz VGFVJVNUOWJZGH-HNNXBMFYSA-N 1 3 368.441 0.647 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160443696 1223159836 /nfs/dbraw/zinc/15/98/36/1223159836.db2.gz KWCJLORURXAKIU-MRXNPFEDSA-N 1 3 354.454 0.376 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160505585 1223163638 /nfs/dbraw/zinc/16/36/38/1223163638.db2.gz ZKQDNXRIFKIPIQ-IRXDYDNUSA-N 1 3 368.522 0.722 20 0 FCADHO O=C(N1CCC(n2c(=O)oc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160555543 1223164440 /nfs/dbraw/zinc/16/44/40/1223164440.db2.gz BIZRLUXRYXDVBO-JLTOFOAXSA-N 1 3 370.453 0.957 20 0 FCADHO CO[C@H](CN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1)c1ccccc1 ZINC001160904450 1223180381 /nfs/dbraw/zinc/18/03/81/1223180381.db2.gz GJYAZLGVERONRY-QZTJIDSGSA-N 1 3 358.486 0.327 20 0 FCADHO O=C(Cc1ccccc1)N1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160940977 1223181067 /nfs/dbraw/zinc/18/10/67/1223181067.db2.gz PUEUKVMNGVNMMZ-KRWDZBQOSA-N 1 3 356.470 0.099 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)CC2)ncn1 ZINC001161093366 1223185475 /nfs/dbraw/zinc/18/54/75/1223185475.db2.gz MJKNJNBBQCXTLQ-AWEZNQCLSA-N 1 3 360.462 0.008 20 0 FCADHO COc1cc(N2CCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)CC2)ncn1 ZINC001161093366 1223185478 /nfs/dbraw/zinc/18/54/78/1223185478.db2.gz MJKNJNBBQCXTLQ-AWEZNQCLSA-N 1 3 360.462 0.008 20 0 FCADHO N[C@@H](C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC001161252474 1223192245 /nfs/dbraw/zinc/19/22/45/1223192245.db2.gz KZKINBAPSHKEFF-QGZVFWFLSA-N 1 3 362.449 0.873 20 0 FCADHO CC(=O)NCCCC[C@H](N)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321651 1223195626 /nfs/dbraw/zinc/19/56/26/1223195626.db2.gz AXFYLRHBYNDHDD-BQFCYCMXSA-N 1 3 368.522 0.898 20 0 FCADHO CN(C)C1(CNc2ccc(N(C)c3nnnn3C)nc2)CC[NH+](C)CC1 ZINC001164217153 1223236303 /nfs/dbraw/zinc/23/63/03/1223236303.db2.gz QSJNCRQOJIUGOB-UHFFFAOYSA-N 1 3 359.482 0.811 20 0 FCADHO C[C@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CC[NH2+]C3)c2c1CNCC2 ZINC001165937125 1223262528 /nfs/dbraw/zinc/26/25/28/1223262528.db2.gz KGVZSFXESAUAMP-LBPRGKRZSA-N 1 3 367.457 0.578 20 0 FCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(CC3CC[NH+](C)CC3)C2)CC1 ZINC001207396955 1223443047 /nfs/dbraw/zinc/44/30/47/1223443047.db2.gz AXPAOPCSPRMRRN-LJQANCHMSA-N 1 3 360.550 0.904 20 0 FCADHO C[NH+](C)CCN1CC[C@]2(CCCN(CC(=O)N3CCOCC3)CC2)C1=O ZINC001276675518 1223657488 /nfs/dbraw/zinc/65/74/88/1223657488.db2.gz BIJFUPOZYKCDSF-LJQANCHMSA-N 1 3 366.506 0.111 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210041529 1223662970 /nfs/dbraw/zinc/66/29/70/1223662970.db2.gz SPXPPUQXATUDKQ-JFIYKMOQSA-N 1 3 367.490 0.935 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COCc2ccco2)C[C@H]1C ZINC001210041529 1223662975 /nfs/dbraw/zinc/66/29/75/1223662975.db2.gz SPXPPUQXATUDKQ-JFIYKMOQSA-N 1 3 367.490 0.935 20 0 FCADHO CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638330 1223826021 /nfs/dbraw/zinc/82/60/21/1223826021.db2.gz JCGHPXJWSPPXNG-KBAYOESNSA-N 1 3 369.506 0.482 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213765000 1223845890 /nfs/dbraw/zinc/84/58/90/1223845890.db2.gz ONNNQOOGEYPLDL-KZNAEPCWSA-N 1 3 371.522 0.729 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@@H]2CCOC2)C[C@H]1OC ZINC001213765000 1223845893 /nfs/dbraw/zinc/84/58/93/1223845893.db2.gz ONNNQOOGEYPLDL-KZNAEPCWSA-N 1 3 371.522 0.729 20 0 FCADHO CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214335894 1223902060 /nfs/dbraw/zinc/90/20/60/1223902060.db2.gz LZJXLGYFIVUELY-BRWVUGGUSA-N 1 3 368.522 0.448 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214343726 1223902540 /nfs/dbraw/zinc/90/25/40/1223902540.db2.gz DUFMOWFLNQMHLI-DJIMGWMZSA-N 1 3 359.474 0.229 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397124 1223996469 /nfs/dbraw/zinc/99/64/69/1223996469.db2.gz UTALHLCNGKPEIC-LTIDMASMSA-N 1 3 368.522 0.306 20 0 FCADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397124 1223996471 /nfs/dbraw/zinc/99/64/71/1223996471.db2.gz UTALHLCNGKPEIC-LTIDMASMSA-N 1 3 368.522 0.306 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001215453806 1223999785 /nfs/dbraw/zinc/99/97/85/1223999785.db2.gz SKGJGWUGYZSNSQ-RHSMWYFYSA-N 1 3 366.506 0.060 20 0 FCADHO Cc1cccc(CNC(=O)CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001215463102 1224000655 /nfs/dbraw/zinc/00/06/55/1224000655.db2.gz HZAZWBMSVZLNSF-SJLPKXTDSA-N 1 3 360.502 0.999 20 0 FCADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458815 1224000695 /nfs/dbraw/zinc/00/06/95/1224000695.db2.gz LXQHDWOOXULKEU-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1)[NH+](CC)CC ZINC001215519011 1224003971 /nfs/dbraw/zinc/00/39/71/1224003971.db2.gz UOIMUVYJUGUDTQ-ZACQAIPSSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1)[NH+](CC)CC ZINC001215518929 1224004111 /nfs/dbraw/zinc/00/41/11/1224004111.db2.gz REGJDTSJXVCISX-BRWVUGGUSA-N 1 3 370.538 0.696 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518959 1224004237 /nfs/dbraw/zinc/00/42/37/1224004237.db2.gz SAVVNBNKMXOIJU-RBSFLKMASA-N 1 3 369.510 0.389 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001215563233 1224006576 /nfs/dbraw/zinc/00/65/76/1224006576.db2.gz CDDBJGGQNNCQAA-HZPDHXFCSA-N 1 3 368.522 0.260 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001215994097 1224029077 /nfs/dbraw/zinc/02/90/77/1224029077.db2.gz PSCKGGIXEVOCDP-NVXWUHKLSA-N 1 3 361.490 0.476 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216212812 1224039082 /nfs/dbraw/zinc/03/90/82/1224039082.db2.gz FGQDYPRDWQHSBC-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO CCCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216212812 1224039085 /nfs/dbraw/zinc/03/90/85/1224039085.db2.gz FGQDYPRDWQHSBC-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216383812 1224047967 /nfs/dbraw/zinc/04/79/67/1224047967.db2.gz QGARHMYUOQZQMP-BFYDXBDKSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216383812 1224047968 /nfs/dbraw/zinc/04/79/68/1224047968.db2.gz QGARHMYUOQZQMP-BFYDXBDKSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NCc1ccco1 ZINC001216405196 1224049239 /nfs/dbraw/zinc/04/92/39/1224049239.db2.gz HQHJIGNDRQPLMZ-GDBMZVCRSA-N 1 3 360.458 0.428 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1 ZINC001216511159 1224053906 /nfs/dbraw/zinc/05/39/06/1224053906.db2.gz KQGOMRVFAPPZAS-HUUCEWRRSA-N 1 3 365.526 0.749 20 0 FCADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001277720058 1226172802 /nfs/dbraw/zinc/17/28/02/1226172802.db2.gz ULIZXEPYJFIXSB-NLWGTHIKSA-N 1 3 361.486 0.219 20 0 FCADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001277720058 1226172804 /nfs/dbraw/zinc/17/28/04/1226172804.db2.gz ULIZXEPYJFIXSB-NLWGTHIKSA-N 1 3 361.486 0.219 20 0 FCADHO CN(C(=O)C(=O)NCC1([NH3+])CC1)C1CCN(CCc2ccccn2)CC1 ZINC000911501401 1245501772 /nfs/dbraw/zinc/50/17/72/1245501772.db2.gz CVHIXDKGFYLEEF-UHFFFAOYSA-N 1 3 359.474 0.154 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517090 1245504109 /nfs/dbraw/zinc/50/41/09/1245504109.db2.gz HAHAKXARYSMBJR-MORSLUCNSA-N 1 3 358.486 0.916 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@@H]21 ZINC000911517268 1245505102 /nfs/dbraw/zinc/50/51/02/1245505102.db2.gz QZIANCLOUSRWMT-XOYOTBSWSA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@@H]21 ZINC000911517268 1245505107 /nfs/dbraw/zinc/50/51/07/1245505107.db2.gz QZIANCLOUSRWMT-XOYOTBSWSA-N 1 3 356.470 0.670 20 0 FCADHO CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000923366862 1245713265 /nfs/dbraw/zinc/71/32/65/1245713265.db2.gz PLPMKRFITBULOU-QZTJIDSGSA-N 1 3 362.474 0.364 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC4CCOCC4)C3)CC2)CC[N@@H+]1C ZINC000941412822 1246608234 /nfs/dbraw/zinc/60/82/34/1246608234.db2.gz MANAFQSILVPHQR-VQIMIIECSA-N 1 3 364.534 0.582 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC4CCOCC4)C3)CC2)CC[N@H+]1C ZINC000941412822 1246608240 /nfs/dbraw/zinc/60/82/40/1246608240.db2.gz MANAFQSILVPHQR-VQIMIIECSA-N 1 3 364.534 0.582 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)CC[N@@H+]1C ZINC000944940481 1247686207 /nfs/dbraw/zinc/68/62/07/1247686207.db2.gz KFKLBMBWZSVOSQ-IAGOWNOFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)CC[N@H+]1C ZINC000944940481 1247686215 /nfs/dbraw/zinc/68/62/15/1247686215.db2.gz KFKLBMBWZSVOSQ-IAGOWNOFSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4cnnn4C)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595171 1247908593 /nfs/dbraw/zinc/90/85/93/1247908593.db2.gz LVGZKEBDZCQUEM-XLMAVXFVSA-N 1 3 360.506 0.826 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4cnnn4C)C[C@H]3CC2)CC[N@H+]1C ZINC000946595171 1247908603 /nfs/dbraw/zinc/90/86/03/1247908603.db2.gz LVGZKEBDZCQUEM-XLMAVXFVSA-N 1 3 360.506 0.826 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000976608755 1248289709 /nfs/dbraw/zinc/28/97/09/1248289709.db2.gz LWGWBRJQGZDZGO-DOEOUOAPSA-N 1 3 362.518 0.774 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)CC[N@H+]1C ZINC000976608755 1248289714 /nfs/dbraw/zinc/28/97/14/1248289714.db2.gz LWGWBRJQGZDZGO-DOEOUOAPSA-N 1 3 362.518 0.774 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)N(C)C ZINC000994336708 1250384906 /nfs/dbraw/zinc/38/49/06/1250384906.db2.gz VTILHCYNOLIYHI-BRWVUGGUSA-N 1 3 364.534 0.879 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC000998559020 1251910931 /nfs/dbraw/zinc/91/09/31/1251910931.db2.gz KTURLZZXTPJBGU-LTIDMASMSA-N 1 3 360.502 0.957 20 0 FCADHO CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N(C)C ZINC001004390723 1253312605 /nfs/dbraw/zinc/31/26/05/1253312605.db2.gz LAIYJHOFPVKSGC-NCOADZHNSA-N 1 3 362.518 0.917 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001065206704 1254488807 /nfs/dbraw/zinc/48/88/07/1254488807.db2.gz NEAAWVHTUUGHSH-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001065206704 1254488810 /nfs/dbraw/zinc/48/88/10/1254488810.db2.gz NEAAWVHTUUGHSH-OWCLPIDISA-N 1 3 366.506 0.155 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@H]2O)cn1 ZINC001077818330 1255019043 /nfs/dbraw/zinc/01/90/43/1255019043.db2.gz NYUQEECMONKOOT-IAGOWNOFSA-N 1 3 363.506 0.656 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259652 1255492668 /nfs/dbraw/zinc/49/26/68/1255492668.db2.gz MHEXAXMIVYBQOZ-OKZBNKHCSA-N 1 3 365.518 0.650 20 0 FCADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710394 1255583157 /nfs/dbraw/zinc/58/31/57/1255583157.db2.gz GTQXYHSWXGRTDN-FHLIZLRMSA-N 1 3 358.486 0.664 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330452356 1266028455 /nfs/dbraw/zinc/02/84/55/1266028455.db2.gz XYOOUYZHODACHY-IXDOHACOSA-N 1 3 366.506 0.345 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001330452351 1266028915 /nfs/dbraw/zinc/02/89/15/1266028915.db2.gz XYOOUYZHODACHY-BRWVUGGUSA-N 1 3 366.506 0.345 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082511946 1256797375 /nfs/dbraw/zinc/79/73/75/1256797375.db2.gz ABVJRJMHYKGBLW-RBSFLKMASA-N 1 3 364.490 0.493 20 0 FCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C)C1=O ZINC001082588613 1256902156 /nfs/dbraw/zinc/90/21/56/1256902156.db2.gz FRIQCPRXWCADKZ-IXDOHACOSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082653584 1256957540 /nfs/dbraw/zinc/95/75/40/1256957540.db2.gz SFZBHWPPTNVEHN-LDBBTLTOSA-N 1 3 359.474 0.183 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)cn1 ZINC001083850883 1257607290 /nfs/dbraw/zinc/60/72/90/1257607290.db2.gz AERXYJJAJYSHSQ-MSOLQXFVSA-N 1 3 363.506 0.800 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088290 1257913554 /nfs/dbraw/zinc/91/35/54/1257913554.db2.gz ZUASXZCSNDZDPI-UHOSZYNNSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c1 ZINC001084088290 1257913558 /nfs/dbraw/zinc/91/35/58/1257913558.db2.gz ZUASXZCSNDZDPI-UHOSZYNNSA-N 1 3 361.486 0.950 20 0 FCADHO CNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105652364 1258922231 /nfs/dbraw/zinc/92/22/31/1258922231.db2.gz LJXDMPLJWIUKNI-RGCFKVTRSA-N 1 3 368.522 0.040 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)N(C)C ZINC001106635389 1258930159 /nfs/dbraw/zinc/93/01/59/1258930159.db2.gz ZDZFTVXEJDIOCH-JFIYKMOQSA-N 1 3 368.522 0.116 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106664903 1258935862 /nfs/dbraw/zinc/93/58/62/1258935862.db2.gz CAMHHQMQZUUOHP-BZUAXINKSA-N 1 3 364.490 0.304 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106665739 1258936667 /nfs/dbraw/zinc/93/66/67/1258936667.db2.gz AEKKGLFMDMAMKV-BRWVUGGUSA-N 1 3 368.522 0.165 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106667877 1258937472 /nfs/dbraw/zinc/93/74/72/1258937472.db2.gz AMMROAMFQSQQQZ-NVXWUHKLSA-N 1 3 364.534 0.929 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC001106779382 1258961493 /nfs/dbraw/zinc/96/14/93/1258961493.db2.gz MJLIBFPJKLZZOU-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC001106910925 1258994163 /nfs/dbraw/zinc/99/41/63/1258994163.db2.gz VTVNHRUPRYZSFZ-BRWVUGGUSA-N 1 3 368.522 0.260 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200554091 1259416067 /nfs/dbraw/zinc/41/60/67/1259416067.db2.gz FKHDKHRBLGEJBG-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200554091 1259416077 /nfs/dbraw/zinc/41/60/77/1259416077.db2.gz FKHDKHRBLGEJBG-IXDOHACOSA-N 1 3 366.506 0.202 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001211675383 1259425946 /nfs/dbraw/zinc/42/59/46/1259425946.db2.gz PWSZFQVTMBBEBO-OTWHNJEPSA-N 1 3 363.502 0.920 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295534 1259456253 /nfs/dbraw/zinc/45/62/53/1259456253.db2.gz USPLFGDSDUOJGS-IAGOWNOFSA-N 1 3 367.494 0.300 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230057 1259537677 /nfs/dbraw/zinc/53/76/77/1259537677.db2.gz WRMGNSCEQYKJNH-RBSFLKMASA-N 1 3 369.510 0.387 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230057 1259537680 /nfs/dbraw/zinc/53/76/80/1259537680.db2.gz WRMGNSCEQYKJNH-RBSFLKMASA-N 1 3 369.510 0.387 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CNCC12CC2 ZINC001246129607 1259648948 /nfs/dbraw/zinc/64/89/48/1259648948.db2.gz GFHBCTGSQYDEKF-UONOGXRCSA-N 1 3 374.489 0.334 20 0 FCADHO CN1CCN(Cc2cccc(-c3noc(C[C@@H]4C[NH2+]CCN4)n3)c2)CC1 ZINC001248359639 1259709632 /nfs/dbraw/zinc/70/96/32/1259709632.db2.gz APSCTLQLNSNVII-QGZVFWFLSA-N 1 3 356.474 0.588 20 0 FCADHO COC(=O)[C@@H](O)CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252416791 1259785441 /nfs/dbraw/zinc/78/54/41/1259785441.db2.gz CUMSNBRCOKLSSU-ZJPYXAASSA-N 1 3 370.490 0.501 20 0 FCADHO CCCCOC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252507766 1259794003 /nfs/dbraw/zinc/79/40/03/1259794003.db2.gz QTWILPZISOTKFU-SFHVURJKSA-N 1 3 365.518 0.988 20 0 FCADHO CCCCOC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252507766 1259794010 /nfs/dbraw/zinc/79/40/10/1259794010.db2.gz QTWILPZISOTKFU-SFHVURJKSA-N 1 3 365.518 0.988 20 0 FCADHO CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185886 1259828891 /nfs/dbraw/zinc/82/88/91/1259828891.db2.gz JOKHSZRZNKALRT-PKOBYXMFSA-N 1 3 363.506 0.942 20 0 FCADHO CCN(CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001253185886 1259828899 /nfs/dbraw/zinc/82/88/99/1259828899.db2.gz JOKHSZRZNKALRT-PKOBYXMFSA-N 1 3 363.506 0.942 20 0 FCADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1(C)C ZINC001261500437 1260151326 /nfs/dbraw/zinc/15/13/26/1260151326.db2.gz RUBOIXGGBNIWGS-KXBFYZLASA-N 1 3 368.522 0.578 20 0 FCADHO COCCN(C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1=O ZINC001336825775 1260231500 /nfs/dbraw/zinc/23/15/00/1260231500.db2.gz HYFWOAZNEIBEKU-RHSMWYFYSA-N 1 3 371.428 0.767 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001337024551 1260288051 /nfs/dbraw/zinc/28/80/51/1260288051.db2.gz UFRLTRMTSLRWTC-CHWSQXEVSA-N 1 3 351.417 0.606 20 0 FCADHO Cn1c(=O)cccc1C(=O)N1CC2(CN(CCC3CC[NH+](C)CC3)C2)C1 ZINC001279620130 1260901722 /nfs/dbraw/zinc/90/17/22/1260901722.db2.gz JIQMYAJIBACJEC-UHFFFAOYSA-N 1 3 358.486 0.875 20 0 FCADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccnc(N4CCOCC4)c3)[C@@H]2C1 ZINC001279668586 1260910506 /nfs/dbraw/zinc/91/05/06/1260910506.db2.gz WXKMLUAPJVUGSO-RBUKOAKNSA-N 1 3 359.518 0.986 20 0 FCADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccnc(N4CCOCC4)c3)[C@@H]2C1 ZINC001279668586 1260910514 /nfs/dbraw/zinc/91/05/14/1260910514.db2.gz WXKMLUAPJVUGSO-RBUKOAKNSA-N 1 3 359.518 0.986 20 0 FCADHO Cc1n[nH]cc1CN1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001279863389 1260946784 /nfs/dbraw/zinc/94/67/84/1260946784.db2.gz RKUIBTYNASUSSN-CRAIPNDOSA-N 1 3 357.462 0.937 20 0 FCADHO C[NH+]1CCC(NC(=O)[C@H]2CCN(C[C@H]3CCOC3)Cc3ccnn32)CC1 ZINC001279892305 1260953451 /nfs/dbraw/zinc/95/34/51/1260953451.db2.gz FUDUBUKMJDIFPR-CRAIPNDOSA-N 1 3 361.490 0.877 20 0 FCADHO COCOCCCN1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280088756 1260995319 /nfs/dbraw/zinc/99/53/19/1260995319.db2.gz IMQROMNXAIAQDI-INIZCTEOSA-N 1 3 365.478 0.716 20 0 FCADHO CCOCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001280150180 1261015902 /nfs/dbraw/zinc/01/59/02/1261015902.db2.gz AVFUCNHBMPIPOX-IAGOWNOFSA-N 1 3 361.490 0.432 20 0 FCADHO CCOCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001280150180 1261015904 /nfs/dbraw/zinc/01/59/04/1261015904.db2.gz AVFUCNHBMPIPOX-IAGOWNOFSA-N 1 3 361.490 0.432 20 0 FCADHO CC(=O)N[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001477686876 1263098874 /nfs/dbraw/zinc/09/88/74/1263098874.db2.gz ABCRKMBKMFPOTC-INIZCTEOSA-N 1 3 351.495 0.465 20 0 FCADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@H]1CCCN(CCCO)C1 ZINC001312013343 1263270122 /nfs/dbraw/zinc/27/01/22/1263270122.db2.gz RCVRURQXNJWFBA-ROUUACIJSA-N 1 3 368.522 0.776 20 0 FCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001316698768 1263426977 /nfs/dbraw/zinc/42/69/77/1263426977.db2.gz KPIXUYFNYOSQFD-ILXRZTDVSA-N 1 3 364.494 0.149 20 0 FCADHO Cn1cc([C@@H](CO)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC001320225938 1263774608 /nfs/dbraw/zinc/77/46/08/1263774608.db2.gz IOCWGKBGHUUPPY-QGZVFWFLSA-N 1 3 364.494 0.311 20 0 FCADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494597832 1263775463 /nfs/dbraw/zinc/77/54/63/1263775463.db2.gz VEUIXBZTEYQVSC-QRVBRYPASA-N 1 3 361.486 0.387 20 0 FCADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001494597832 1263775471 /nfs/dbraw/zinc/77/54/71/1263775471.db2.gz VEUIXBZTEYQVSC-QRVBRYPASA-N 1 3 361.486 0.387 20 0 FCADHO CN(CC1(O)CCOCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001320629706 1263831698 /nfs/dbraw/zinc/83/16/98/1263831698.db2.gz LOPKGQPOQYGHNU-UHFFFAOYSA-N 1 3 368.522 0.728 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](n4cncn4)C3)CC2)CC1 ZINC001321463328 1263966040 /nfs/dbraw/zinc/96/60/40/1263966040.db2.gz NQECNUPIRLPVGE-KRWDZBQOSA-N 1 3 361.494 0.793 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N(C)CC3CC3)CCC2)CC[N@@H+]1C ZINC001501952080 1264157256 /nfs/dbraw/zinc/15/72/56/1264157256.db2.gz IXCNBLFBCCKOMU-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N(C)CC3CC3)CCC2)CC[N@H+]1C ZINC001501952080 1264157261 /nfs/dbraw/zinc/15/72/61/1264157261.db2.gz IXCNBLFBCCKOMU-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO CN1CCN(C)[C@H](CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001322736162 1264253074 /nfs/dbraw/zinc/25/30/74/1264253074.db2.gz VYMBMMVAZNAGMM-GOSISDBHSA-N 1 3 374.533 0.483 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC001325307010 1264843724 /nfs/dbraw/zinc/84/37/24/1264843724.db2.gz JANALRYNZVBLMT-ROUUACIJSA-N 1 3 360.502 0.686 20 0 FCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001325428287 1264884491 /nfs/dbraw/zinc/88/44/91/1264884491.db2.gz OAKLSNODYWTENK-ZDUSSCGKSA-N 1 3 370.444 0.969 20 0 FCADHO NCc1cn([C@H]2CCCN(C(=O)c3cccn3C3CC[NH2+]CC3)C2)nn1 ZINC001326597941 1265139951 /nfs/dbraw/zinc/13/99/51/1265139951.db2.gz IYFKUGANUBRIEE-INIZCTEOSA-N 1 3 357.462 0.940 20 0 FCADHO COC1(CO)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001326730778 1265159644 /nfs/dbraw/zinc/15/96/44/1265159644.db2.gz ZLHXZTJOFCGNNS-UHFFFAOYSA-N 1 3 368.522 0.728 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC001327456954 1265329589 /nfs/dbraw/zinc/32/95/89/1265329589.db2.gz FEODTJMVCMSGLQ-QGZVFWFLSA-N 1 3 360.458 0.762 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001334062548 1266801585 /nfs/dbraw/zinc/80/15/85/1266801585.db2.gz GSNIGKBBQZNNHC-PKOBYXMFSA-N 1 3 355.523 0.238 20 0 FCADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001335093732 1267332250 /nfs/dbraw/zinc/33/22/50/1267332250.db2.gz SWAODRZOGCEBRU-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001335138922 1267358733 /nfs/dbraw/zinc/35/87/33/1267358733.db2.gz YPONVKIPSXUOIK-HLLBOEOZSA-N 1 3 357.458 0.281 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001548937095 1267774369 /nfs/dbraw/zinc/77/43/69/1267774369.db2.gz FDHCOWXTCYVICR-GXTWGEPZSA-N 1 3 358.450 0.404 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1=O ZINC001549296710 1267893767 /nfs/dbraw/zinc/89/37/67/1267893767.db2.gz SPVNZKDJOWDAHZ-KURKYZTESA-N 1 3 358.486 0.658 20 0 FCADHO NCc1cn([C@@H]2CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C2)nn1 ZINC001550269790 1268101627 /nfs/dbraw/zinc/10/16/27/1268101627.db2.gz IOMDKJOPDRYPCJ-QGZVFWFLSA-N 1 3 361.494 0.815 20 0 FCADHO Cc1ccsc1CNC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912596 1268183897 /nfs/dbraw/zinc/18/38/97/1268183897.db2.gz IMBLQCNHRXTOOQ-RDTXWAMCSA-N 1 3 364.515 0.909 20 0 FCADHO Cc1ccsc1CNC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912589 1268184000 /nfs/dbraw/zinc/18/40/00/1268184000.db2.gz IMBLQCNHRXTOOQ-KBXCAEBGSA-N 1 3 364.515 0.909 20 0 FCADHO COc1ccc(NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550911828 1268184225 /nfs/dbraw/zinc/18/42/25/1268184225.db2.gz GEOVEZGROYDFAK-VQIMIIECSA-N 1 3 360.458 0.870 20 0 FCADHO Cc1ccccc1CNC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550911698 1268184480 /nfs/dbraw/zinc/18/44/80/1268184480.db2.gz FJNROOHKJQCJBS-PXNSSMCTSA-N 1 3 358.486 0.848 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@@H]3C2)CC1 ZINC001551276665 1268220796 /nfs/dbraw/zinc/22/07/96/1268220796.db2.gz HHCSWKYPPZCZNM-VZDIDWBNSA-N 1 3 366.506 0.480 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@@H]3C2)CC1 ZINC001551276665 1268220799 /nfs/dbraw/zinc/22/07/99/1268220799.db2.gz HHCSWKYPPZCZNM-VZDIDWBNSA-N 1 3 366.506 0.480 20 0 FCADHO C[NH+]1CCC(O)(CNC(=O)NC2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001551288887 1268223193 /nfs/dbraw/zinc/22/31/93/1268223193.db2.gz QZRSCASECFVMLL-UHFFFAOYSA-N 1 3 368.522 0.776 20 0 FCADHO C[N@@H+]1CC[C@](O)(CNC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551283647 1268223388 /nfs/dbraw/zinc/22/33/88/1268223388.db2.gz USPFIETXCFXRHS-VJFUWPCTSA-N 1 3 354.495 0.386 20 0 FCADHO C[N@H+]1CC[C@](O)(CNC(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551283647 1268223393 /nfs/dbraw/zinc/22/33/93/1268223393.db2.gz USPFIETXCFXRHS-VJFUWPCTSA-N 1 3 354.495 0.386 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC001551498056 1268261841 /nfs/dbraw/zinc/26/18/41/1268261841.db2.gz PHRJAAXHPSXZIE-UHFFFAOYSA-N 1 3 354.495 0.827 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551556709 1268268845 /nfs/dbraw/zinc/26/88/45/1268268845.db2.gz STKBQELHMZQHPZ-VYDXJSESSA-N 1 3 351.495 0.417 20 0 FCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552200641 1268408524 /nfs/dbraw/zinc/40/85/24/1268408524.db2.gz SOQHUPXBBFZOSA-OXQOHEQNSA-N 1 3 372.469 0.558 20 0 FCADHO CN1CCN(Cc2cccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552202571 1268409464 /nfs/dbraw/zinc/40/94/64/1268409464.db2.gz KCCOHLKPUCBFKA-UYAOXDASSA-N 1 3 358.486 0.286 20 0 FCADHO NCc1cn([C@@H]2CCCN(C(=O)NC[C@@H]3C[NH2+]Cc4ccccc43)C2)nn1 ZINC001552234457 1268417842 /nfs/dbraw/zinc/41/78/42/1268417842.db2.gz BYBLWKYXHFLYBM-DOTOQJQBSA-N 1 3 369.473 0.970 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283888 1268433336 /nfs/dbraw/zinc/43/33/36/1268433336.db2.gz VIOWFZLBOSEXPL-HBXLWWENSA-N 1 3 365.518 0.960 20 0 FCADHO CN1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC001340111433 1268438549 /nfs/dbraw/zinc/43/85/49/1268438549.db2.gz CAWGPQRNYZRSDH-FPOVZHCZSA-N 1 3 374.529 0.986 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)C[C@H]1n1ccnn1 ZINC001552652798 1268510051 /nfs/dbraw/zinc/51/00/51/1268510051.db2.gz OOIFKABZYOFCFT-ZIAGYGMSSA-N 1 3 361.454 0.055 20 0 FCADHO Cn1cc([C@@H]2[C@@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)CCCN2C)cn1 ZINC001552976179 1268572103 /nfs/dbraw/zinc/57/21/03/1268572103.db2.gz OPOVONCGQKJUML-QAPCUYQASA-N 1 3 362.522 0.413 20 0 FCADHO Cn1cc([C@@H]2[C@@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)CCCN2C)cn1 ZINC001552976179 1268572106 /nfs/dbraw/zinc/57/21/06/1268572106.db2.gz OPOVONCGQKJUML-QAPCUYQASA-N 1 3 362.522 0.413 20 0 FCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553405048 1268646137 /nfs/dbraw/zinc/64/61/37/1268646137.db2.gz CVAPQVPJHCWVRT-FHWLQOOXSA-N 1 3 358.486 0.570 20 0 FCADHO CN1CCN(CCNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)CC1(C)C ZINC001553482653 1268658544 /nfs/dbraw/zinc/65/85/44/1268658544.db2.gz VBLQBZSAFJLHTB-HNNXBMFYSA-N 1 3 353.511 0.080 20 0 FCADHO [NH3+][C@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC12CCOCC2 ZINC001553507171 1268660840 /nfs/dbraw/zinc/66/08/40/1268660840.db2.gz JWZQVTDHUSLBPU-CVEARBPZSA-N 1 3 352.479 0.389 20 0 FCADHO C[C@H]1C[NH2+]CC[C@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553546590 1268666650 /nfs/dbraw/zinc/66/66/50/1268666650.db2.gz HYIFQIMUCIWDSK-HOTGVXAUSA-N 1 3 365.522 0.747 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001341118366 1268793370 /nfs/dbraw/zinc/79/33/70/1268793370.db2.gz MLGQHVHSKXRWQO-JZXOWHBKSA-N 1 3 352.523 0.974 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC001341717056 1269167031 /nfs/dbraw/zinc/16/70/31/1269167031.db2.gz MCTGRFKQLUBBAV-KSSFIOAISA-N 1 3 362.474 0.832 20 0 FCADHO CC[NH+]1CCC(N2CCCN(CCN3CCCS3(=O)=O)CC2)CC1 ZINC001559919833 1269181735 /nfs/dbraw/zinc/18/17/35/1269181735.db2.gz SJTPOJMBJGGEMC-UHFFFAOYSA-N 1 3 358.552 0.514 20 0 FCADHO C[C@@H]1CN2CCN1C[C@H]2C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001341844832 1269243685 /nfs/dbraw/zinc/24/36/85/1269243685.db2.gz LOSAHYSOWCQCPF-MJGOQNOKSA-N 1 3 371.529 0.484 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001563599308 1269394325 /nfs/dbraw/zinc/39/43/25/1269394325.db2.gz NMYWEHDAZLAQQY-MRXNPFEDSA-N 1 3 355.527 0.158 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001563599308 1269394338 /nfs/dbraw/zinc/39/43/38/1269394338.db2.gz NMYWEHDAZLAQQY-MRXNPFEDSA-N 1 3 355.527 0.158 20 0 FCADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037539 1269405554 /nfs/dbraw/zinc/40/55/54/1269405554.db2.gz OIOBTCXPTJPQAC-SJORKVTESA-N 1 3 355.527 0.016 20 0 FCADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)CN1CCN(C)CC1 ZINC001564037539 1269405556 /nfs/dbraw/zinc/40/55/56/1269405556.db2.gz OIOBTCXPTJPQAC-SJORKVTESA-N 1 3 355.527 0.016 20 0 FCADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001342271916 1269413757 /nfs/dbraw/zinc/41/37/57/1269413757.db2.gz PUWGPLZBXCSQFE-LZWOXQAQSA-N 1 3 357.376 0.890 20 0 FCADHO O=C(NC[C@H]1CCCN1CCCO)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001580654890 1278640089 /nfs/dbraw/zinc/64/00/89/1278640089.db2.gz PUDHYEAJLYIDRK-HUUCEWRRSA-N 1 3 350.467 0.169 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876314 1271632961 /nfs/dbraw/zinc/63/29/61/1271632961.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876314 1271632967 /nfs/dbraw/zinc/63/29/67/1271632967.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876314 1271632976 /nfs/dbraw/zinc/63/29/76/1271632976.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574876314 1271632984 /nfs/dbraw/zinc/63/29/84/1271632984.db2.gz LJNBHIFNYPMNGT-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575393831 1272039411 /nfs/dbraw/zinc/03/94/11/1272039411.db2.gz XXKYTWJXYNBYMY-RYUDHWBXSA-N 1 3 363.441 0.940 20 0 FCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575393831 1272039421 /nfs/dbraw/zinc/03/94/21/1272039421.db2.gz XXKYTWJXYNBYMY-RYUDHWBXSA-N 1 3 363.441 0.940 20 0 FCADHO CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH3+])C2)n1CCN1CCCCC1 ZINC001575716955 1272363815 /nfs/dbraw/zinc/36/38/15/1272363815.db2.gz WXIFSPSRWWFBKS-HNNXBMFYSA-N 1 3 363.510 0.830 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)CN)C1 ZINC001576259543 1273047167 /nfs/dbraw/zinc/04/71/67/1273047167.db2.gz RIYKYAHUGFSMOW-DYVFJYSZSA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@](C)(O)CN)C1 ZINC001576259543 1273047177 /nfs/dbraw/zinc/04/71/77/1273047177.db2.gz RIYKYAHUGFSMOW-DYVFJYSZSA-N 1 3 358.483 0.049 20 0 FCADHO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@@](C)(O)C[NH3+])C1 ZINC001576259543 1273047188 /nfs/dbraw/zinc/04/71/88/1273047188.db2.gz RIYKYAHUGFSMOW-DYVFJYSZSA-N 1 3 358.483 0.049 20 0 FCADHO C[C@@]1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CNCCO1 ZINC001576510965 1273383806 /nfs/dbraw/zinc/38/38/06/1273383806.db2.gz KBTYCDCAWUEFCX-SFHVURJKSA-N 1 3 354.495 0.555 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCN(Cc3c[nH]nn3)CC2)CC[N@@H+]1C ZINC001576608650 1273477214 /nfs/dbraw/zinc/47/72/14/1273477214.db2.gz GRSHQRXWPXWBEE-DLBZAZTESA-N 1 3 363.510 0.159 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCN(Cc3c[nH]nn3)CC2)CC[N@H+]1C ZINC001576608650 1273477219 /nfs/dbraw/zinc/47/72/19/1273477219.db2.gz GRSHQRXWPXWBEE-DLBZAZTESA-N 1 3 363.510 0.159 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)NCC2(NCc3cn[nH]n3)CCCCC2)n1 ZINC001576750148 1273618981 /nfs/dbraw/zinc/61/89/81/1273618981.db2.gz MTAJDOGXBIELAR-UHFFFAOYSA-N 1 3 374.493 0.785 20 0 FCADHO C[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CN1 ZINC001576772340 1273650620 /nfs/dbraw/zinc/65/06/20/1273650620.db2.gz MFXMEDDQGNEANA-HOTGVXAUSA-N 1 3 353.511 0.175 20 0 FCADHO C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)CN1 ZINC001576772339 1273651218 /nfs/dbraw/zinc/65/12/18/1273651218.db2.gz MFXMEDDQGNEANA-CVEARBPZSA-N 1 3 353.511 0.175 20 0 FCADHO C[C@H]1CN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1C[NH3+] ZINC001576802181 1273707781 /nfs/dbraw/zinc/70/77/81/1273707781.db2.gz WKEZRFRBIGTWCJ-GJZGRUSLSA-N 1 3 354.495 0.982 20 0 FCADHO C[C@H]1CN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1C[NH3+] ZINC001576802188 1273708566 /nfs/dbraw/zinc/70/85/66/1273708566.db2.gz WKEZRFRBIGTWCJ-LSDHHAIUSA-N 1 3 354.495 0.982 20 0 FCADHO CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001576818074 1273739942 /nfs/dbraw/zinc/73/99/42/1273739942.db2.gz XHSARCCVVPLNLS-CQSZACIVSA-N 1 3 363.441 0.942 20 0 FCADHO CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001576818074 1273739948 /nfs/dbraw/zinc/73/99/48/1273739948.db2.gz XHSARCCVVPLNLS-CQSZACIVSA-N 1 3 363.441 0.942 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001576839706 1273775541 /nfs/dbraw/zinc/77/55/41/1273775541.db2.gz UBLILBYDOLZBKD-JKSUJKDBSA-N 1 3 350.467 0.386 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001576839706 1273775546 /nfs/dbraw/zinc/77/55/46/1273775546.db2.gz UBLILBYDOLZBKD-JKSUJKDBSA-N 1 3 350.467 0.386 20 0 FCADHO CN(CCc1ccccc1)CC(=O)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576848394 1273794962 /nfs/dbraw/zinc/79/49/62/1273794962.db2.gz ZEPMCJZJIFQFAX-GOSISDBHSA-N 1 3 356.474 0.712 20 0 FCADHO CN(CCc1ccccc1)CC(=O)N1CC[C@@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001576848394 1273794971 /nfs/dbraw/zinc/79/49/71/1273794971.db2.gz ZEPMCJZJIFQFAX-GOSISDBHSA-N 1 3 356.474 0.712 20 0 FCADHO CC[C@H]([NH3+])Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577139186 1274190541 /nfs/dbraw/zinc/19/05/41/1274190541.db2.gz SOWWXAQOFRAYJE-KBPBESRZSA-N 1 3 363.510 0.887 20 0 FCADHO CCCN(C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCN(C)C1 ZINC001577488610 1274446047 /nfs/dbraw/zinc/44/60/47/1274446047.db2.gz CBZJHBLHTXDDOD-HUUCEWRRSA-N 1 3 352.479 0.797 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668845 1274691446 /nfs/dbraw/zinc/69/14/46/1274691446.db2.gz NPNMXXUHPWWOFY-XJKSGUPXSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577668845 1274691455 /nfs/dbraw/zinc/69/14/55/1274691455.db2.gz NPNMXXUHPWWOFY-XJKSGUPXSA-N 1 3 372.477 0.783 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577670459 1274698259 /nfs/dbraw/zinc/69/82/59/1274698259.db2.gz ULRNQGOLGYBJSC-MRXNPFEDSA-N 1 3 372.477 0.737 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001577670459 1274698266 /nfs/dbraw/zinc/69/82/66/1274698266.db2.gz ULRNQGOLGYBJSC-MRXNPFEDSA-N 1 3 372.477 0.737 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577852009 1274991282 /nfs/dbraw/zinc/99/12/82/1274991282.db2.gz HXYFPLDHOGKSOJ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001577852009 1274991288 /nfs/dbraw/zinc/99/12/88/1274991288.db2.gz HXYFPLDHOGKSOJ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577852009 1274991298 /nfs/dbraw/zinc/99/12/98/1274991298.db2.gz HXYFPLDHOGKSOJ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001577852009 1274991306 /nfs/dbraw/zinc/99/13/06/1274991306.db2.gz HXYFPLDHOGKSOJ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO CC[NH2+]CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001577865325 1275039873 /nfs/dbraw/zinc/03/98/73/1275039873.db2.gz JWXKHTNBBMMGGT-KFWWJZLASA-N 1 3 363.510 0.758 20 0 FCADHO O=C(CN1CCCC1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577922628 1275129628 /nfs/dbraw/zinc/12/96/28/1275129628.db2.gz FMXCHCBALSIECI-JSGCOSHPSA-N 1 3 374.411 0.670 20 0 FCADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1C[C@H]2COC[C@H]2[NH2+]1 ZINC001578324166 1275669801 /nfs/dbraw/zinc/66/98/01/1275669801.db2.gz HKYOOSNTVNQPAB-YESZJQIVSA-N 1 3 362.522 0.995 20 0 FCADHO Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ncc1-c1nnn[n-]1 ZINC001580810624 1278973304 /nfs/dbraw/zinc/97/33/04/1278973304.db2.gz MWBXPTLTWYAXFW-ZIAGYGMSSA-N 1 3 372.477 0.382 20 0 FCADHO Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ncc1-c1nn[n-]n1 ZINC001580810624 1278973314 /nfs/dbraw/zinc/97/33/14/1278973314.db2.gz MWBXPTLTWYAXFW-ZIAGYGMSSA-N 1 3 372.477 0.382 20 0 FCADHO CN(C)CCSc1nc(CC(=O)NCC2([NH3+])CCOCC2)cs1 ZINC001578418446 1275787013 /nfs/dbraw/zinc/78/70/13/1275787013.db2.gz ATWNRFTWZCHJAB-UHFFFAOYSA-N 1 3 358.533 0.963 20 0 FCADHO C[NH2+][C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN(C)CCOC)C1 ZINC001578601279 1276033199 /nfs/dbraw/zinc/03/31/99/1276033199.db2.gz AYBXXBVHRFRJLZ-JKSUJKDBSA-N 1 3 366.510 0.548 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001578973618 1276521009 /nfs/dbraw/zinc/52/10/09/1276521009.db2.gz VPRPZPYWPQFTEJ-WKILWMFISA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001578973618 1276521010 /nfs/dbraw/zinc/52/10/10/1276521010.db2.gz VPRPZPYWPQFTEJ-WKILWMFISA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578976750 1276530110 /nfs/dbraw/zinc/53/01/10/1276530110.db2.gz DRKJHBFJQSAJEJ-MRXNPFEDSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001578977660 1276532420 /nfs/dbraw/zinc/53/24/20/1276532420.db2.gz UHQRTEXYWJOZJR-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001578977660 1276532427 /nfs/dbraw/zinc/53/24/27/1276532427.db2.gz UHQRTEXYWJOZJR-HNNXBMFYSA-N 1 3 357.462 0.899 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001578978073 1276534707 /nfs/dbraw/zinc/53/47/07/1276534707.db2.gz DKTYLPJMBHYDBL-INIZCTEOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001578978073 1276534709 /nfs/dbraw/zinc/53/47/09/1276534709.db2.gz DKTYLPJMBHYDBL-INIZCTEOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001578987465 1276556992 /nfs/dbraw/zinc/55/69/92/1276556992.db2.gz FAUADFIRCJRPPI-QLPKVWCKSA-N 1 3 355.446 0.365 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001578987465 1276556997 /nfs/dbraw/zinc/55/69/97/1276556997.db2.gz FAUADFIRCJRPPI-QLPKVWCKSA-N 1 3 355.446 0.365 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001578987950 1276559671 /nfs/dbraw/zinc/55/96/71/1276559671.db2.gz IGHWDNXZJMDQAH-OKILXGFUSA-N 1 3 361.425 0.694 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001578987950 1276559679 /nfs/dbraw/zinc/55/96/79/1276559679.db2.gz IGHWDNXZJMDQAH-OKILXGFUSA-N 1 3 361.425 0.694 20 0 FCADHO CN(CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)C12CC[NH+](CC1)C2 ZINC001579131655 1276822814 /nfs/dbraw/zinc/82/28/14/1276822814.db2.gz BISSOFNIJQSNHL-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO CN(CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(=O)C12CC[NH+](CC1)C2 ZINC001579131655 1276822831 /nfs/dbraw/zinc/82/28/31/1276822831.db2.gz BISSOFNIJQSNHL-UHFFFAOYSA-N 1 3 369.473 0.853 20 0 FCADHO C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nnn[n-]1 ZINC001579171356 1276925126 /nfs/dbraw/zinc/92/51/26/1276925126.db2.gz CIVKYOGTDDWYPP-KRWDZBQOSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1-c1nnn[n-]1 ZINC001579171356 1276925130 /nfs/dbraw/zinc/92/51/30/1276925130.db2.gz CIVKYOGTDDWYPP-KRWDZBQOSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001579326567 1277148994 /nfs/dbraw/zinc/14/89/94/1277148994.db2.gz KLSSXJVGPQNDRD-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001579326567 1277148995 /nfs/dbraw/zinc/14/89/95/1277148995.db2.gz KLSSXJVGPQNDRD-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001579326567 1277148996 /nfs/dbraw/zinc/14/89/96/1277148996.db2.gz KLSSXJVGPQNDRD-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001579326567 1277148998 /nfs/dbraw/zinc/14/89/98/1277148998.db2.gz KLSSXJVGPQNDRD-MRXNPFEDSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326007 1277150154 /nfs/dbraw/zinc/15/01/54/1277150154.db2.gz HNTVXXMNYVFKPN-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326007 1277150162 /nfs/dbraw/zinc/15/01/62/1277150162.db2.gz HNTVXXMNYVFKPN-DLBZAZTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579333156 1277165970 /nfs/dbraw/zinc/16/59/70/1277165970.db2.gz OJCUQGUCTIQWJR-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579333156 1277165971 /nfs/dbraw/zinc/16/59/71/1277165971.db2.gz OJCUQGUCTIQWJR-OAHLLOKOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333733 1277168224 /nfs/dbraw/zinc/16/82/24/1277168224.db2.gz SNJAXOHZDYTLDV-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001579333733 1277168225 /nfs/dbraw/zinc/16/82/25/1277168225.db2.gz SNJAXOHZDYTLDV-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333733 1277168228 /nfs/dbraw/zinc/16/82/28/1277168228.db2.gz SNJAXOHZDYTLDV-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001579333733 1277168229 /nfs/dbraw/zinc/16/82/29/1277168229.db2.gz SNJAXOHZDYTLDV-DLBZAZTESA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335266 1277175700 /nfs/dbraw/zinc/17/57/00/1277175700.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335266 1277175705 /nfs/dbraw/zinc/17/57/05/1277175705.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335266 1277175708 /nfs/dbraw/zinc/17/57/08/1277175708.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335266 1277175711 /nfs/dbraw/zinc/17/57/11/1277175711.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335266 1277175716 /nfs/dbraw/zinc/17/57/16/1277175716.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335266 1277175722 /nfs/dbraw/zinc/17/57/22/1277175722.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335266 1277175725 /nfs/dbraw/zinc/17/57/25/1277175725.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335266 1277175730 /nfs/dbraw/zinc/17/57/30/1277175730.db2.gz PPLITNNOBLLKPR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339969 1277184540 /nfs/dbraw/zinc/18/45/40/1277184540.db2.gz OQFYVUCGLSMBAF-TUKIKUTGSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001579339969 1277184541 /nfs/dbraw/zinc/18/45/41/1277184541.db2.gz OQFYVUCGLSMBAF-TUKIKUTGSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339969 1277184543 /nfs/dbraw/zinc/18/45/43/1277184543.db2.gz OQFYVUCGLSMBAF-TUKIKUTGSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001579339969 1277184545 /nfs/dbraw/zinc/18/45/45/1277184545.db2.gz OQFYVUCGLSMBAF-TUKIKUTGSA-N 1 3 373.436 0.694 20 0 FCADHO C[C@@H]([NH3+])Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001579404481 1277286804 /nfs/dbraw/zinc/28/68/04/1277286804.db2.gz NGZKMYZNHJIBAA-CQSZACIVSA-N 1 3 374.493 0.327 20 0 FCADHO Cc1c(C(=O)N2CCNC[C@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001579522794 1277478633 /nfs/dbraw/zinc/47/86/33/1277478633.db2.gz YILGVVRMQVERDK-CYBMUJFWSA-N 1 3 354.458 0.998 20 0 FCADHO Cc1c(C(=O)N2CCNC[C@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001579522794 1277478636 /nfs/dbraw/zinc/47/86/36/1277478636.db2.gz YILGVVRMQVERDK-CYBMUJFWSA-N 1 3 354.458 0.998 20 0 FCADHO Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001579910970 1277958675 /nfs/dbraw/zinc/95/86/75/1277958675.db2.gz YGPIQSUJJVSNSA-HOCLYGCPSA-N 1 3 363.510 0.327 20 0 FCADHO Cc1cc(N[C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991416 1279194223 /nfs/dbraw/zinc/19/42/23/1279194223.db2.gz OQFWJEJYACMHCU-QWHCGFSZSA-N 1 3 372.477 0.641 20 0 FCADHO Cc1cc(N[C@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991416 1279194229 /nfs/dbraw/zinc/19/42/29/1279194229.db2.gz OQFWJEJYACMHCU-QWHCGFSZSA-N 1 3 372.477 0.641 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707849 1287332149 /nfs/dbraw/zinc/33/21/49/1287332149.db2.gz SQZXKCJFFJWLRZ-IIAWOOMASA-N 1 3 350.463 0.673 20 0 FCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCc1ccco1 ZINC001714707849 1287332151 /nfs/dbraw/zinc/33/21/51/1287332151.db2.gz SQZXKCJFFJWLRZ-IIAWOOMASA-N 1 3 350.463 0.673 20 0 FCADHO Cc1cc(NC2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001580998914 1279214208 /nfs/dbraw/zinc/21/42/08/1279214208.db2.gz UQNRIBFXBWBNEF-OAHLLOKOSA-N 1 3 372.477 0.639 20 0 FCADHO Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001581134908 1279438636 /nfs/dbraw/zinc/43/86/36/1279438636.db2.gz JSUHZIQIJXOQCW-HZPDHXFCSA-N 1 3 371.489 0.987 20 0 FCADHO Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001581134908 1279438638 /nfs/dbraw/zinc/43/86/38/1279438638.db2.gz JSUHZIQIJXOQCW-HZPDHXFCSA-N 1 3 371.489 0.987 20 0 FCADHO CC[NH2+]CC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001604357139 1287613044 /nfs/dbraw/zinc/61/30/44/1287613044.db2.gz UZNHSRCRXHRSIM-MRXNPFEDSA-N 1 3 360.462 0.928 20 0 FCADHO CC[NH+](CC)CCOCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001590690236 1283733219 /nfs/dbraw/zinc/73/32/19/1283733219.db2.gz UUFZSMPDGRVAJJ-UHFFFAOYSA-N 1 3 358.450 0.962 20 0 FCADHO C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001591012903 1284072759 /nfs/dbraw/zinc/07/27/59/1284072759.db2.gz ARERBDPSOMSEPV-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001591012903 1284072768 /nfs/dbraw/zinc/07/27/68/1284072768.db2.gz ARERBDPSOMSEPV-UHFFFAOYSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175691 1284265140 /nfs/dbraw/zinc/26/51/40/1284265140.db2.gz RNUJGYVZSFFZID-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001591175691 1284265149 /nfs/dbraw/zinc/26/51/49/1284265149.db2.gz RNUJGYVZSFFZID-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175691 1284265158 /nfs/dbraw/zinc/26/51/58/1284265158.db2.gz RNUJGYVZSFFZID-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001591175691 1284265164 /nfs/dbraw/zinc/26/51/64/1284265164.db2.gz RNUJGYVZSFFZID-DJIMGWMZSA-N 1 3 369.473 0.803 20 0 FCADHO C[NH+]1CCC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)(N2CCOCC2)CC1 ZINC001591177022 1284275902 /nfs/dbraw/zinc/27/59/02/1284275902.db2.gz QQVVZVVJBMXAJF-UHFFFAOYSA-N 1 3 371.489 0.753 20 0 FCADHO C[NH+]1CCC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)(N2CCOCC2)CC1 ZINC001591177022 1284275915 /nfs/dbraw/zinc/27/59/15/1284275915.db2.gz QQVVZVVJBMXAJF-UHFFFAOYSA-N 1 3 371.489 0.753 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593073015 1285967075 /nfs/dbraw/zinc/96/70/75/1285967075.db2.gz IGRVDDBBMRCDCY-QGZVFWFLSA-N 1 3 369.473 0.804 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593073015 1285967077 /nfs/dbraw/zinc/96/70/77/1285967077.db2.gz IGRVDDBBMRCDCY-QGZVFWFLSA-N 1 3 369.473 0.804 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001735931741 1289047623 /nfs/dbraw/zinc/04/76/23/1289047623.db2.gz KSRXEZWTHDRHFY-PMPSAXMXSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001735931741 1289047630 /nfs/dbraw/zinc/04/76/30/1289047630.db2.gz KSRXEZWTHDRHFY-PMPSAXMXSA-N 1 3 366.506 0.031 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)C1 ZINC001704415349 1286248399 /nfs/dbraw/zinc/24/83/99/1286248399.db2.gz VQUDWBZOJBAKKL-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCN(CC(=O)NCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)C1 ZINC001704415349 1286248407 /nfs/dbraw/zinc/24/84/07/1286248407.db2.gz VQUDWBZOJBAKKL-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1O)N(C)C ZINC001735961869 1289091013 /nfs/dbraw/zinc/09/10/13/1289091013.db2.gz IYOODOKKJIVDNI-IKGGRYGDSA-N 1 3 368.522 0.281 20 0 FCADHO CCN1CCN([C@H]2CCN(c3nnc(C)n3CC[NH+]3CCCC3)C2)CC1 ZINC001710287520 1287170732 /nfs/dbraw/zinc/17/07/32/1287170732.db2.gz BIUBUITYYJIJEF-SFHVURJKSA-N 1 3 361.538 0.899 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001724786369 1288449864 /nfs/dbraw/zinc/44/98/64/1288449864.db2.gz PMWQHYPAPDSBBM-BFHYXJOUSA-N 1 3 367.494 0.189 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001724786369 1288449871 /nfs/dbraw/zinc/44/98/71/1288449871.db2.gz PMWQHYPAPDSBBM-BFHYXJOUSA-N 1 3 367.494 0.189 20 0 FCADHO CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001733574586 1288618957 /nfs/dbraw/zinc/61/89/57/1288618957.db2.gz YYHZLMUSJWJHQK-HSFUPAIVSA-N 1 3 364.534 0.972 20 0 FCADHO CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001733574586 1288618963 /nfs/dbraw/zinc/61/89/63/1288618963.db2.gz YYHZLMUSJWJHQK-HSFUPAIVSA-N 1 3 364.534 0.972 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)CCC1 ZINC001702189098 1289819801 /nfs/dbraw/zinc/81/98/01/1289819801.db2.gz WKTLXPJZHXRJOK-HZPDHXFCSA-N 1 3 366.506 0.035 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1OC ZINC001739585227 1290198849 /nfs/dbraw/zinc/19/88/49/1290198849.db2.gz XNZFCVNSZGOKIL-GVDBMIGSSA-N 1 3 366.506 0.012 20 0 FCADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@H]1CCCN(CCCO)C1 ZINC001679408583 1292304058 /nfs/dbraw/zinc/30/40/58/1292304058.db2.gz DETROLLMSQJOAP-WMZOPIPTSA-N 1 3 368.522 0.633 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001689015670 1294567938 /nfs/dbraw/zinc/56/79/38/1294567938.db2.gz SSYJMESWJJUUGO-UONOGXRCSA-N 1 3 356.492 0.570 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C(C)(C)N3CCCC3)CC2)CC[N@@H+]1C ZINC001689588175 1294801790 /nfs/dbraw/zinc/80/17/90/1294801790.db2.gz XTCGUSGRAZKGAY-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)C(C)(C)N3CCCC3)CC2)CC[N@H+]1C ZINC001689588175 1294801805 /nfs/dbraw/zinc/80/18/05/1294801805.db2.gz XTCGUSGRAZKGAY-HUUCEWRRSA-N 1 3 350.507 0.966 20 0 FCADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)c1 ZINC001164866887 721059957 /nfs/dbraw/zinc/05/99/57/721059957.db2.gz GPJLXDKTLNTTKN-QZTJIDSGSA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4CCNC5)CC[N@@H+]3C2)c1 ZINC001164867993 721064765 /nfs/dbraw/zinc/06/47/65/721064765.db2.gz LVFWTQQJFGJZOC-IAGOWNOFSA-N 1 3 366.469 0.997 20 0 FCADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4CCNC5)CC[N@H+]3C2)c1 ZINC001164867993 721064771 /nfs/dbraw/zinc/06/47/71/721064771.db2.gz LVFWTQQJFGJZOC-IAGOWNOFSA-N 1 3 366.469 0.997 20 0 FCADHO Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164766408 721075111 /nfs/dbraw/zinc/07/51/11/721075111.db2.gz KETJVTAKDSZUGX-SJORKVTESA-N 1 3 367.501 0.857 20 0 FCADHO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070024533 837601260 /nfs/dbraw/zinc/60/12/60/837601260.db2.gz USOHENNJBONLDM-CABCVRRESA-N 1 3 352.458 0.711 20 0 FCADHO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070024533 837601264 /nfs/dbraw/zinc/60/12/64/837601264.db2.gz USOHENNJBONLDM-CABCVRRESA-N 1 3 352.458 0.711 20 0 FCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001070102401 837617351 /nfs/dbraw/zinc/61/73/51/837617351.db2.gz IFJBCGKZDZRTIW-OAGGEKHMSA-N 1 3 352.458 0.854 20 0 FCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001070102401 837617352 /nfs/dbraw/zinc/61/73/52/837617352.db2.gz IFJBCGKZDZRTIW-OAGGEKHMSA-N 1 3 352.458 0.854 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001071062175 837721113 /nfs/dbraw/zinc/72/11/13/837721113.db2.gz OFLMFMDNSMAIEW-YJLNNSPDSA-N 1 3 353.507 0.837 20 0 FCADHO COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267666 844126239 /nfs/dbraw/zinc/12/62/39/844126239.db2.gz ODPINDPSZTZQIE-LMMKCTJWSA-N 1 3 353.507 0.770 20 0 FCADHO COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001101267666 844126241 /nfs/dbraw/zinc/12/62/41/844126241.db2.gz ODPINDPSZTZQIE-LMMKCTJWSA-N 1 3 353.507 0.770 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284854 844134396 /nfs/dbraw/zinc/13/43/96/844134396.db2.gz CGDONXQFDVGTCO-CLCXKQKWSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@@]2(C)C1 ZINC001101284854 844134397 /nfs/dbraw/zinc/13/43/97/844134397.db2.gz CGDONXQFDVGTCO-CLCXKQKWSA-N 1 3 352.523 0.974 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000751038103 836461234 /nfs/dbraw/zinc/46/12/34/836461234.db2.gz IYZHPGRUAHPHTC-CVEARBPZSA-N 1 3 369.579 0.878 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000751038103 836461242 /nfs/dbraw/zinc/46/12/42/836461242.db2.gz IYZHPGRUAHPHTC-CVEARBPZSA-N 1 3 369.579 0.878 20 0 FCADHO CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418095 838958184 /nfs/dbraw/zinc/95/81/84/838958184.db2.gz IOWCNNMLFGTGBR-RVKOJVRFSA-N 1 3 351.491 0.447 20 0 FCADHO CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001077418095 838958187 /nfs/dbraw/zinc/95/81/87/838958187.db2.gz IOWCNNMLFGTGBR-RVKOJVRFSA-N 1 3 351.491 0.447 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048453 844395867 /nfs/dbraw/zinc/39/58/67/844395867.db2.gz CDKJKTHBWKYILK-FVQBIDKESA-N 1 3 351.495 0.036 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048453 844395871 /nfs/dbraw/zinc/39/58/71/844395871.db2.gz CDKJKTHBWKYILK-FVQBIDKESA-N 1 3 351.495 0.036 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)CC1 ZINC001077618404 839072644 /nfs/dbraw/zinc/07/26/44/839072644.db2.gz HOKNOBVDQBGBHV-QZTJIDSGSA-N 1 3 353.507 0.696 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001102088525 844408526 /nfs/dbraw/zinc/40/85/26/844408526.db2.gz ZAGPHOIBPWTHPA-DJIMGWMZSA-N 1 3 356.511 0.163 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1C)N(C)C ZINC001102088525 844408530 /nfs/dbraw/zinc/40/85/30/844408530.db2.gz ZAGPHOIBPWTHPA-DJIMGWMZSA-N 1 3 356.511 0.163 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006153 839288395 /nfs/dbraw/zinc/28/83/95/839288395.db2.gz UJBIGFYYBCINGF-RCCFBDPRSA-N 1 3 353.507 0.696 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@H]2O)C1 ZINC001078006153 839288408 /nfs/dbraw/zinc/28/84/08/839288408.db2.gz UJBIGFYYBCINGF-RCCFBDPRSA-N 1 3 353.507 0.696 20 0 FCADHO CN(CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)C1CCC1 ZINC001079245779 839498594 /nfs/dbraw/zinc/49/85/94/839498594.db2.gz HGMHFFRSMCPQNC-DLBZAZTESA-N 1 3 351.491 0.402 20 0 FCADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290743 844459459 /nfs/dbraw/zinc/45/94/59/844459459.db2.gz TZKCNYUMPYKMCS-QLFBSQMISA-N 1 3 350.507 0.679 20 0 FCADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080558341 839747251 /nfs/dbraw/zinc/74/72/51/839747251.db2.gz RCLGPSDZJQVXJV-ZMSDIMECSA-N 1 3 350.507 0.870 20 0 FCADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080558341 839747261 /nfs/dbraw/zinc/74/72/61/839747261.db2.gz RCLGPSDZJQVXJV-ZMSDIMECSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366398 844476042 /nfs/dbraw/zinc/47/60/42/844476042.db2.gz CZQLOGKRLCNRLB-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366398 844476043 /nfs/dbraw/zinc/47/60/43/844476043.db2.gz CZQLOGKRLCNRLB-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683962 839999996 /nfs/dbraw/zinc/99/99/96/839999996.db2.gz YCDHZMQZHRRPNT-TVFCKZIOSA-N 1 3 353.507 0.959 20 0 FCADHO CO[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840770 840060595 /nfs/dbraw/zinc/06/05/95/840060595.db2.gz SUNKRDFSYFYEOL-GVDBMIGSSA-N 1 3 351.491 0.714 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102475201 844515932 /nfs/dbraw/zinc/51/59/32/844515932.db2.gz CVZBBJKISLEYQW-RHSMWYFYSA-N 1 3 350.511 0.921 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C ZINC001102475201 844515939 /nfs/dbraw/zinc/51/59/39/844515939.db2.gz CVZBBJKISLEYQW-RHSMWYFYSA-N 1 3 350.511 0.921 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496446 844531007 /nfs/dbraw/zinc/53/10/07/844531007.db2.gz WEWHFFWMULSHDJ-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102496446 844531010 /nfs/dbraw/zinc/53/10/10/844531010.db2.gz WEWHFFWMULSHDJ-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513953 844545174 /nfs/dbraw/zinc/54/51/74/844545174.db2.gz HHDYNQQTBPDPHR-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513953 844545182 /nfs/dbraw/zinc/54/51/82/844545182.db2.gz HHDYNQQTBPDPHR-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001082724928 840537665 /nfs/dbraw/zinc/53/76/65/840537665.db2.gz XEVSKLZQLPBGJH-CKEIUWERSA-N 1 3 352.479 0.158 20 0 FCADHO C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCCCC1 ZINC001082782609 840557862 /nfs/dbraw/zinc/55/78/62/840557862.db2.gz HUWBAJYTLFXIGW-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082920104 840601903 /nfs/dbraw/zinc/60/19/03/840601903.db2.gz QNQBMWDEBXILJZ-BRWVUGGUSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082920104 840601906 /nfs/dbraw/zinc/60/19/06/840601906.db2.gz QNQBMWDEBXILJZ-BRWVUGGUSA-N 1 3 350.507 0.633 20 0 FCADHO C[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CC[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083182910 840779688 /nfs/dbraw/zinc/77/96/88/840779688.db2.gz CTJUNLNDTXVUSQ-BPQIPLTHSA-N 1 3 351.491 0.666 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563639 841174414 /nfs/dbraw/zinc/17/44/14/841174414.db2.gz YQPZXLPDRRPMDT-ZACQAIPSSA-N 1 3 351.491 0.450 20 0 FCADHO CN(C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1(C)CCOCC1)C2 ZINC001275826131 861213608 /nfs/dbraw/zinc/21/36/08/861213608.db2.gz PGBVPMBNVBLTSG-IBGZPJMESA-N 1 3 353.507 0.916 20 0 FCADHO CN(C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1(C)CCOCC1)C2 ZINC001275826131 861213621 /nfs/dbraw/zinc/21/36/21/861213621.db2.gz PGBVPMBNVBLTSG-IBGZPJMESA-N 1 3 353.507 0.916 20 0 FCADHO CC(=O)N1CCC(C[N@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)CC1 ZINC001275892506 861250626 /nfs/dbraw/zinc/25/06/26/861250626.db2.gz DDNLODLYJLOSKZ-IBGZPJMESA-N 1 3 350.507 0.873 20 0 FCADHO CC(=O)N1CCC(C[N@@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)CC1 ZINC001275892506 861250638 /nfs/dbraw/zinc/25/06/38/861250638.db2.gz DDNLODLYJLOSKZ-IBGZPJMESA-N 1 3 350.507 0.873 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085406213 842093961 /nfs/dbraw/zinc/09/39/61/842093961.db2.gz UQQVOSAVEIPKCK-RRFJBIMHSA-N 1 3 368.503 0.712 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087059556 842255663 /nfs/dbraw/zinc/25/56/63/842255663.db2.gz LDVSWWLCTUXXIP-CZUORRHYSA-N 1 3 367.519 0.976 20 0 FCADHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001087222717 842320163 /nfs/dbraw/zinc/32/01/63/842320163.db2.gz PJNHPBCCQHERKV-PVAVHDDUSA-N 1 3 350.507 0.824 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088109611 842535431 /nfs/dbraw/zinc/53/54/31/842535431.db2.gz OBJWAMKAIAJASL-PMPSAXMXSA-N 1 3 351.495 0.132 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)N(C)C ZINC001088109611 842535435 /nfs/dbraw/zinc/53/54/35/842535435.db2.gz OBJWAMKAIAJASL-PMPSAXMXSA-N 1 3 351.495 0.132 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)CC[N@@H+]1C ZINC001092618703 843253612 /nfs/dbraw/zinc/25/36/12/843253612.db2.gz YXCBZTPBLZFUTD-WCXIOVBPSA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2C)CC[N@H+]1C ZINC001092618703 843253623 /nfs/dbraw/zinc/25/36/23/843253623.db2.gz YXCBZTPBLZFUTD-WCXIOVBPSA-N 1 3 350.507 0.633 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001276309627 861405797 /nfs/dbraw/zinc/40/57/97/861405797.db2.gz YYNILLVZKFQRHG-IEBWSBKVSA-N 1 3 350.507 0.731 20 0 FCADHO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001276309627 861405802 /nfs/dbraw/zinc/40/58/02/861405802.db2.gz YYNILLVZKFQRHG-IEBWSBKVSA-N 1 3 350.507 0.731 20 0 FCADHO CCN1CC[C@H](N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936816 843348191 /nfs/dbraw/zinc/34/81/91/843348191.db2.gz JPQAGPPRCLMRMC-OIISXLGYSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093287768 843422021 /nfs/dbraw/zinc/42/20/21/843422021.db2.gz MYEVESORYNHYCB-BRWVUGGUSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093825986 843475354 /nfs/dbraw/zinc/47/53/54/843475354.db2.gz VQXHXTZBNPGYGC-INMHGKMJSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094043890 843507333 /nfs/dbraw/zinc/50/73/33/843507333.db2.gz BHTTVQVTTZHPBJ-OAGGEKHMSA-N 1 3 350.507 0.681 20 0 FCADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)n1 ZINC001099253036 843992023 /nfs/dbraw/zinc/99/20/23/843992023.db2.gz HASHSORGYUTZEA-DGCLKSJQSA-N 1 3 363.384 0.030 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780874 844646177 /nfs/dbraw/zinc/64/61/77/844646177.db2.gz SDGUIRPPTAVEHZ-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780874 844646182 /nfs/dbraw/zinc/64/61/82/844646182.db2.gz SDGUIRPPTAVEHZ-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CCCS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103004862 844683585 /nfs/dbraw/zinc/68/35/85/844683585.db2.gz BXTJNQMHCVPVEU-QBPKDAKJSA-N 1 3 373.563 0.836 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CCCS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001103004862 844683589 /nfs/dbraw/zinc/68/35/89/844683589.db2.gz BXTJNQMHCVPVEU-QBPKDAKJSA-N 1 3 373.563 0.836 20 0 FCADHO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001103050137 844690435 /nfs/dbraw/zinc/69/04/35/844690435.db2.gz UCNSOOBDPNSSDK-OAGGEKHMSA-N 1 3 358.502 0.877 20 0 FCADHO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001103050137 844690439 /nfs/dbraw/zinc/69/04/39/844690439.db2.gz UCNSOOBDPNSSDK-OAGGEKHMSA-N 1 3 358.502 0.877 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103433950 844756976 /nfs/dbraw/zinc/75/69/76/844756976.db2.gz OTRUJFCVLINWCJ-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103433950 844756984 /nfs/dbraw/zinc/75/69/84/844756984.db2.gz OTRUJFCVLINWCJ-BZUAXINKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433982 844757702 /nfs/dbraw/zinc/75/77/02/844757702.db2.gz QFLFVKYXZVTPPT-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433982 844757706 /nfs/dbraw/zinc/75/77/06/844757706.db2.gz QFLFVKYXZVTPPT-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497695 844768799 /nfs/dbraw/zinc/76/87/99/844768799.db2.gz TUTHVIVSGSWWRP-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755300 844817263 /nfs/dbraw/zinc/81/72/63/844817263.db2.gz AQCSOUOSUCFRSX-KFWWJZLASA-N 1 3 352.479 0.206 20 0 FCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103755300 844817264 /nfs/dbraw/zinc/81/72/64/844817264.db2.gz AQCSOUOSUCFRSX-KFWWJZLASA-N 1 3 352.479 0.206 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@@H]1COC(C)(C)O1)C2 ZINC001276617198 861501867 /nfs/dbraw/zinc/50/18/67/861501867.db2.gz HZDODYZSGCYHMC-CRAIPNDOSA-N 1 3 355.479 0.250 20 0 FCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832425 844949051 /nfs/dbraw/zinc/94/90/51/844949051.db2.gz AHRRAQAOIQQVCT-BRWVUGGUSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106255784 845144531 /nfs/dbraw/zinc/14/45/31/845144531.db2.gz IQUMDEZAQMJBKA-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1)N(C)C ZINC001106309062 845152072 /nfs/dbraw/zinc/15/20/72/845152072.db2.gz OAZUXWULGPWMKX-DJIMGWMZSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668752 845219811 /nfs/dbraw/zinc/21/98/11/845219811.db2.gz OSPRNEKIDILUOO-HZPDHXFCSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCNC(C)=O)[C@H](C)C1)N(C)C ZINC001106674435 845223434 /nfs/dbraw/zinc/22/34/34/845223434.db2.gz VFJZAHWCSCIQAZ-OIISXLGYSA-N 1 3 356.511 0.163 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106785201 845252904 /nfs/dbraw/zinc/25/29/04/845252904.db2.gz ZTYHMZOAMUVCEV-BZUAXINKSA-N 1 3 361.552 0.693 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106910922 845283854 /nfs/dbraw/zinc/28/38/54/845283854.db2.gz VRDORIMGBPQGQO-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001107042406 845316911 /nfs/dbraw/zinc/31/69/11/845316911.db2.gz LIDKGKLTSOAQCW-ZIAGYGMSSA-N 1 3 351.451 0.637 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)N(C)C ZINC001107444703 845375445 /nfs/dbraw/zinc/37/54/45/845375445.db2.gz WQKABXJQOJOQBI-ZIFCJYIRSA-N 1 3 355.523 0.942 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)N(C)C ZINC001107444703 845375447 /nfs/dbraw/zinc/37/54/47/845375447.db2.gz WQKABXJQOJOQBI-ZIFCJYIRSA-N 1 3 355.523 0.942 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)N(C)C ZINC001107534083 845393127 /nfs/dbraw/zinc/39/31/27/845393127.db2.gz WQKABXJQOJOQBI-ZHALLVOQSA-N 1 3 355.523 0.942 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)N(C)C ZINC001107534083 845393136 /nfs/dbraw/zinc/39/31/36/845393136.db2.gz WQKABXJQOJOQBI-ZHALLVOQSA-N 1 3 355.523 0.942 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534123 845394179 /nfs/dbraw/zinc/39/41/79/845394179.db2.gz YKXCXSZFINIYRC-YWTNHNAXSA-N 1 3 355.523 0.941 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534123 845394189 /nfs/dbraw/zinc/39/41/89/845394189.db2.gz YKXCXSZFINIYRC-YWTNHNAXSA-N 1 3 355.523 0.941 20 0 FCADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654095 845705508 /nfs/dbraw/zinc/70/55/08/845705508.db2.gz VTALXPKQWQWTBX-QZWWFDLISA-N 1 3 357.495 0.074 20 0 FCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862194 845986109 /nfs/dbraw/zinc/98/61/09/845986109.db2.gz BUABRVIPABASQL-TWMKSMIVSA-N 1 3 353.507 0.980 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111836207 846228152 /nfs/dbraw/zinc/22/81/52/846228152.db2.gz SJQJHMNRRKUSOU-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111836207 846228164 /nfs/dbraw/zinc/22/81/64/846228164.db2.gz SJQJHMNRRKUSOU-BXWFABGCSA-N 1 3 350.507 0.920 20 0 FCADHO COC[C@H](O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112117857 846395879 /nfs/dbraw/zinc/39/58/79/846395879.db2.gz GGKFOCQYVMJQKJ-SYQHCUMBSA-N 1 3 369.428 0.559 20 0 FCADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112157987 846424227 /nfs/dbraw/zinc/42/42/27/846424227.db2.gz NJXIWWQBKHESFA-BFHYXJOUSA-N 1 3 367.412 0.314 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001112182196 846442161 /nfs/dbraw/zinc/44/21/61/846442161.db2.gz UOLPVVOLBCKWOR-CHWSQXEVSA-N 1 3 362.400 0.599 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112438893 846504771 /nfs/dbraw/zinc/50/47/71/846504771.db2.gz JWZYCVSVXXEAGP-DOXZYTNZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2)C(N)=O ZINC001112506875 846509752 /nfs/dbraw/zinc/50/97/52/846509752.db2.gz JOIHHDBTYRQXCH-DOXZYTNZSA-N 1 3 350.507 0.953 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112586407 846531846 /nfs/dbraw/zinc/53/18/46/846531846.db2.gz XZUCIRILXKHDIF-FCEWJHQRSA-N 1 3 350.507 0.825 20 0 FCADHO C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958808 861703571 /nfs/dbraw/zinc/70/35/71/861703571.db2.gz APYUCGOELTTXLQ-PKOBYXMFSA-N 1 3 352.523 0.462 20 0 FCADHO C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276958808 861703585 /nfs/dbraw/zinc/70/35/85/861703585.db2.gz APYUCGOELTTXLQ-PKOBYXMFSA-N 1 3 352.523 0.462 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C(F)(F)F)CC1 ZINC001117870096 847190655 /nfs/dbraw/zinc/19/06/55/847190655.db2.gz PDRMOQOHMJUZPM-UHFFFAOYSA-N 1 3 366.428 0.739 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)CCO2 ZINC001118123441 847290260 /nfs/dbraw/zinc/29/02/60/847290260.db2.gz KSLIPDVRQWKABY-JKSUJKDBSA-N 1 3 352.479 0.356 20 0 FCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330312 847385569 /nfs/dbraw/zinc/38/55/69/847385569.db2.gz KODPVFCAJWHYDR-RCJHGTSTSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001118330311 847385760 /nfs/dbraw/zinc/38/57/60/847385760.db2.gz KODPVFCAJWHYDR-JEWRLFTDSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1C ZINC001127643853 848730540 /nfs/dbraw/zinc/73/05/40/848730540.db2.gz NZILGLQOOHBVTC-UTUOFQBUSA-N 1 3 350.385 0.196 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1C ZINC001127643853 848730547 /nfs/dbraw/zinc/73/05/47/848730547.db2.gz NZILGLQOOHBVTC-UTUOFQBUSA-N 1 3 350.385 0.196 20 0 FCADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127707127 848734292 /nfs/dbraw/zinc/73/42/92/848734292.db2.gz VMCYPFYUCZLLGZ-UONOGXRCSA-N 1 3 355.483 0.048 20 0 FCADHO CCCCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707127 848734294 /nfs/dbraw/zinc/73/42/94/848734294.db2.gz VMCYPFYUCZLLGZ-UONOGXRCSA-N 1 3 355.483 0.048 20 0 FCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129884043 848907668 /nfs/dbraw/zinc/90/76/68/848907668.db2.gz IAERAYMFPZIHOK-OAGGEKHMSA-N 1 3 352.458 0.854 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130137121 848950404 /nfs/dbraw/zinc/95/04/04/848950404.db2.gz KCBBUEUOIZHRRZ-OAGGEKHMSA-N 1 3 350.467 0.140 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130622237 849021365 /nfs/dbraw/zinc/02/13/65/849021365.db2.gz YVRXHWYVDVMBIX-GOEBONIOSA-N 1 3 351.495 0.417 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC/C=C/Cl ZINC001131108366 849079769 /nfs/dbraw/zinc/07/97/69/849079769.db2.gz RIDDMFSNGMUPEC-DPOFCPOHSA-N 1 3 369.897 0.635 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC/C=C\Cl ZINC001131108367 849079819 /nfs/dbraw/zinc/07/98/19/849079819.db2.gz RIDDMFSNGMUPEC-ZYDHHDLOSA-N 1 3 369.897 0.635 20 0 FCADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001131596956 849128584 /nfs/dbraw/zinc/12/85/84/849128584.db2.gz CSCOHFZOLQQPNA-LXZKKBNFSA-N 1 3 354.495 0.188 20 0 FCADHO O=S(=O)(c1ccccn1)N(c1ncc2c(n1)CCNC2)[C@H]1CC[NH2+]C1 ZINC001157094968 849946667 /nfs/dbraw/zinc/94/66/67/849946667.db2.gz BGZVMHVXUIRZAN-ZDUSSCGKSA-N 1 3 360.443 0.075 20 0 FCADHO CN(C)[C@H]1CCCC[C@@H]1Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157795085 849995417 /nfs/dbraw/zinc/99/54/17/849995417.db2.gz DWYKDAQSJNDFGW-GJZGRUSLSA-N 1 3 367.519 0.853 20 0 FCADHO C[NH+]1CCC(CN2CCN(c3cc(S(N)(=O)=O)ccn3)CC2)CC1 ZINC001157842750 849999746 /nfs/dbraw/zinc/99/97/46/849999746.db2.gz VMGRMLCSPABNPA-UHFFFAOYSA-N 1 3 353.492 0.193 20 0 FCADHO C[NH+]1CCN(C(=N)Nc2nc3scnc3c(N3CCOCC3)n2)CC1 ZINC001157914511 850004951 /nfs/dbraw/zinc/00/49/51/850004951.db2.gz GSXLCQRNJLHOKJ-UHFFFAOYSA-N 1 3 362.463 0.517 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191623 850023726 /nfs/dbraw/zinc/02/37/26/850023726.db2.gz UKHRMSSUMWFGOJ-BTJONVMOSA-N 1 3 374.576 0.254 20 0 FCADHO O=C(c1csc2c1CCNC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158285656 850034195 /nfs/dbraw/zinc/03/41/95/850034195.db2.gz NVLCGXWNHGHWHO-UHFFFAOYSA-N 1 3 358.471 0.720 20 0 FCADHO CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC12CCCCC2 ZINC001158700609 850069316 /nfs/dbraw/zinc/06/93/16/850069316.db2.gz CGQNKEKGYGLDJH-MRXNPFEDSA-N 1 3 350.507 0.873 20 0 FCADHO CCOC[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)Cc2cnn(C)c21 ZINC001159395667 850110975 /nfs/dbraw/zinc/11/09/75/850110975.db2.gz XSGXSBCVMQOEAX-HOTGVXAUSA-N 1 3 351.495 0.942 20 0 FCADHO Cc1nc(CO[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])[C@@H]3CCCO[C@H]23)cs1 ZINC001159508609 850120438 /nfs/dbraw/zinc/12/04/38/850120438.db2.gz ZFFMEYQXCAQCQA-FPCVCCKLSA-N 1 3 368.503 0.793 20 0 FCADHO O=C(N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160110935 850154292 /nfs/dbraw/zinc/15/42/92/850154292.db2.gz QQLWBOCQBUXZJV-SCGCMHLBSA-N 1 3 360.483 0.368 20 0 FCADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CCO2 ZINC001160179994 850157484 /nfs/dbraw/zinc/15/74/84/850157484.db2.gz QKXRELBWMZTBQK-WMZOPIPTSA-N 1 3 354.495 0.286 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001160201271 850159134 /nfs/dbraw/zinc/15/91/34/850159134.db2.gz FLGMUSMVZHJNBO-HZPDHXFCSA-N 1 3 350.507 0.988 20 0 FCADHO CCOC(=O)[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCC1=O ZINC001160426540 850172153 /nfs/dbraw/zinc/17/21/53/850172153.db2.gz FLHWWNZXDCQCFT-GJZGRUSLSA-N 1 3 355.479 0.853 20 0 FCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(CCOC)C1CC[NH+](C)CC1 ZINC001160439832 850172427 /nfs/dbraw/zinc/17/24/27/850172427.db2.gz NXQWOWPSVNRSBF-HNNXBMFYSA-N 1 3 357.495 0.875 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CCO)C1 ZINC001160610919 850185666 /nfs/dbraw/zinc/18/56/66/850185666.db2.gz OOPPYLYQSPESDM-PMPSAXMXSA-N 1 3 354.495 0.055 20 0 FCADHO N[C@@H](CC(F)F)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198203 850238850 /nfs/dbraw/zinc/23/88/50/850238850.db2.gz MQDCYFCYSMWOGZ-HNNXBMFYSA-N 1 3 362.465 0.519 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCn2ncc(Br)c2C1 ZINC001161526768 850267775 /nfs/dbraw/zinc/26/77/75/850267775.db2.gz SDXBTLZGFDBMLW-LBPRGKRZSA-N 1 3 368.279 0.862 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCn2ncc(Br)c2C1 ZINC001161526768 850267788 /nfs/dbraw/zinc/26/77/88/850267788.db2.gz SDXBTLZGFDBMLW-LBPRGKRZSA-N 1 3 368.279 0.862 20 0 FCADHO CN(c1cccc(NC(=O)NC2CC[NH2+]CC2)c1)S(=O)(=O)CCN ZINC001164300573 850404188 /nfs/dbraw/zinc/40/41/88/850404188.db2.gz UMYDSFAOTGKJLF-UHFFFAOYSA-N 1 3 355.464 0.285 20 0 FCADHO CN1CCC(O)(C(=O)N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001182028907 851146297 /nfs/dbraw/zinc/14/62/97/851146297.db2.gz IBLOUBBSKGRBRJ-UHFFFAOYSA-N 1 3 353.507 0.794 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCCC3)C2)CC[N@@H+]1C ZINC001182676672 851190801 /nfs/dbraw/zinc/19/08/01/851190801.db2.gz PVSWTLBLUSSTMA-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCCC3)C2)CC[N@H+]1C ZINC001182676672 851190806 /nfs/dbraw/zinc/19/08/06/851190806.db2.gz PVSWTLBLUSSTMA-DJIMGWMZSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188188849 851657973 /nfs/dbraw/zinc/65/79/73/851657973.db2.gz HGWYATNOYPZPFL-OKZBNKHCSA-N 1 3 353.507 0.506 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001188188849 851657978 /nfs/dbraw/zinc/65/79/78/851657978.db2.gz HGWYATNOYPZPFL-OKZBNKHCSA-N 1 3 353.507 0.506 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)CC(C)(C)C ZINC001189159737 851760035 /nfs/dbraw/zinc/76/00/35/851760035.db2.gz IURSYKOFIUIFSX-HRCADAONSA-N 1 3 350.507 0.728 20 0 FCADHO CN(CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)CC(C)(C)C ZINC001189159737 851760039 /nfs/dbraw/zinc/76/00/39/851760039.db2.gz IURSYKOFIUIFSX-HRCADAONSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@H](C)C[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001278395741 862313707 /nfs/dbraw/zinc/31/37/07/862313707.db2.gz DEVHJIJCXKPSOV-JYJNAYRXSA-N 1 3 350.507 0.633 20 0 FCADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066140 852348674 /nfs/dbraw/zinc/34/86/74/852348674.db2.gz BRRQABUVGGJQFG-IAGOWNOFSA-N 1 3 351.495 0.800 20 0 FCADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298825 852574484 /nfs/dbraw/zinc/57/44/84/852574484.db2.gz MARJCVLYWRLVST-IAGOWNOFSA-N 1 3 350.463 0.496 20 0 FCADHO CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194832752 852659000 /nfs/dbraw/zinc/65/90/00/852659000.db2.gz RXTMNLACVNMOGS-CBYDULDESA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194832752 852659005 /nfs/dbraw/zinc/65/90/05/852659005.db2.gz RXTMNLACVNMOGS-CBYDULDESA-N 1 3 351.491 0.447 20 0 FCADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804457 853015108 /nfs/dbraw/zinc/01/51/08/853015108.db2.gz ZBUDEGVSVINBND-IAGOWNOFSA-N 1 3 351.495 0.800 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@H]1O ZINC001197825175 853167696 /nfs/dbraw/zinc/16/76/96/853167696.db2.gz AVWCKSIQHZTRFL-HUUCEWRRSA-N 1 3 363.449 0.551 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199018495 853356471 /nfs/dbraw/zinc/35/64/71/853356471.db2.gz ZTDTZSGXTYCXOY-RCCFBDPRSA-N 1 3 353.507 0.983 20 0 FCADHO CC(C)COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434953 853933460 /nfs/dbraw/zinc/93/34/60/853933460.db2.gz LAKZOAIIUHERRT-IXDOHACOSA-N 1 3 355.523 0.798 20 0 FCADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426523 854108860 /nfs/dbraw/zinc/10/88/60/854108860.db2.gz HDTHTHGHFURVHB-IXDOHACOSA-N 1 3 359.511 0.179 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342094 854581768 /nfs/dbraw/zinc/58/17/68/854581768.db2.gz GTHVKDNTDOWBIO-IXDOHACOSA-N 1 3 353.507 0.959 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213730425 854740799 /nfs/dbraw/zinc/74/07/99/854740799.db2.gz OYZYGNAOOAFIQD-IXDOHACOSA-N 1 3 357.495 0.195 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214780421 855012219 /nfs/dbraw/zinc/01/22/19/855012219.db2.gz ZLRMRFDDVBQURE-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001214780421 855012230 /nfs/dbraw/zinc/01/22/30/855012230.db2.gz ZLRMRFDDVBQURE-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001214845406 855021905 /nfs/dbraw/zinc/02/19/05/855021905.db2.gz RWLGVMGLTPBOGQ-BZUAXINKSA-N 1 3 359.536 0.445 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001214845406 855021913 /nfs/dbraw/zinc/02/19/13/855021913.db2.gz RWLGVMGLTPBOGQ-BZUAXINKSA-N 1 3 359.536 0.445 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001214845549 855022080 /nfs/dbraw/zinc/02/20/80/855022080.db2.gz YRRYGIVIIZJGKP-HLLBOEOZSA-N 1 3 350.507 0.679 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001214845549 855022081 /nfs/dbraw/zinc/02/20/81/855022081.db2.gz YRRYGIVIIZJGKP-HLLBOEOZSA-N 1 3 350.507 0.679 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904803 855030932 /nfs/dbraw/zinc/03/09/32/855030932.db2.gz KOEMCMLBKJKOIQ-OAGGEKHMSA-N 1 3 361.552 0.834 20 0 FCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058383 855060408 /nfs/dbraw/zinc/06/04/08/855060408.db2.gz MXXGXTYMXLXBDA-BZUAXINKSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCCS(C)(=O)=O ZINC001215234432 855087060 /nfs/dbraw/zinc/08/70/60/855087060.db2.gz VBDAUDQJSWSAQY-HUUCEWRRSA-N 1 3 359.536 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215299105 855097610 /nfs/dbraw/zinc/09/76/10/855097610.db2.gz XMTYVOIIBFFMHH-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474437 855119987 /nfs/dbraw/zinc/11/99/87/855119987.db2.gz RQERCIYLUQMYSJ-BZUAXINKSA-N 1 3 355.527 0.717 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215539969 855126282 /nfs/dbraw/zinc/12/62/82/855126282.db2.gz FSUIEEVGNUVAGQ-BZUAXINKSA-N 1 3 359.536 0.590 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215539865 855126494 /nfs/dbraw/zinc/12/64/94/855126494.db2.gz AVRHXKOLYWYYKH-GVDBMIGSSA-N 1 3 350.507 0.777 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536059 855126585 /nfs/dbraw/zinc/12/65/85/855126585.db2.gz GCRRMNGULITNNA-OWCLPIDISA-N 1 3 354.495 0.060 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215539968 855126650 /nfs/dbraw/zinc/12/66/50/855126650.db2.gz FSUIEEVGNUVAGQ-ARFHVFGLSA-N 1 3 359.536 0.590 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541356 855127005 /nfs/dbraw/zinc/12/70/05/855127005.db2.gz ZARLDFRVWRBRBW-ARFHVFGLSA-N 1 3 353.511 0.472 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1)N(C)C ZINC001215574698 855129074 /nfs/dbraw/zinc/12/90/74/855129074.db2.gz BJISDMIEXJFPKT-OAGGEKHMSA-N 1 3 361.552 0.976 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215680543 855135717 /nfs/dbraw/zinc/13/57/17/855135717.db2.gz AUHHTKRWQSLZAH-TZMCWYRMSA-N 1 3 354.476 0.214 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2c(C)csc2=O)C1 ZINC001216001800 855164342 /nfs/dbraw/zinc/16/43/42/855164342.db2.gz JVLSSYJCYOBIEV-UKRRQHHQSA-N 1 3 354.520 0.997 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001216511422 855209240 /nfs/dbraw/zinc/20/92/40/855209240.db2.gz RRIQSMLTZLMHDM-HYVNUMGLSA-N 1 3 350.507 0.918 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001216510855 855210096 /nfs/dbraw/zinc/21/00/96/855210096.db2.gz AWMXUCOWIKIPNG-HUUCEWRRSA-N 1 3 362.540 0.046 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217976808 855388296 /nfs/dbraw/zinc/38/82/96/855388296.db2.gz LZVOBKLNNQICAD-UWVGGRQHSA-N 1 3 356.398 0.230 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217976809 855388678 /nfs/dbraw/zinc/38/86/78/855388678.db2.gz LZVOBKLNNQICAD-VHSXEESVSA-N 1 3 356.398 0.230 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218017262 855389397 /nfs/dbraw/zinc/38/93/97/855389397.db2.gz TWWGTMAGCUJVCN-NXEZZACHSA-N 1 3 356.398 0.230 20 0 FCADHO CC[NH+](CC)C[C@@H](C)Oc1c(C(=O)OC)nc(C(C)(C)N)n(C)c1=O ZINC001218192493 855406554 /nfs/dbraw/zinc/40/65/54/855406554.db2.gz IXHFDSFHBHHNBR-LLVKDONJSA-N 1 3 354.451 0.870 20 0 FCADHO Nc1ncc(Br)nc1N(CC1CC1)C(=O)[C@@H](N)CCC[NH3+] ZINC001218635181 855455181 /nfs/dbraw/zinc/45/51/81/855455181.db2.gz KLUSHMQJLQZABP-VIFPVBQESA-N 1 3 357.256 0.631 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668940 855460667 /nfs/dbraw/zinc/46/06/67/855460667.db2.gz KUFNWGAOZLYQFN-INIZCTEOSA-N 1 3 352.483 0.213 20 0 FCADHO Nc1cnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(I)c1 ZINC001218678640 855463665 /nfs/dbraw/zinc/46/36/65/855463665.db2.gz AMHVHVXIXUDHLL-QMMMGPOBSA-N 1 3 373.198 0.016 20 0 FCADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001218896901 855492959 /nfs/dbraw/zinc/49/29/59/855492959.db2.gz BZCQAPZBTMGBFY-AWEZNQCLSA-N 1 3 351.472 0.638 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N[C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001219580713 855721578 /nfs/dbraw/zinc/72/15/78/855721578.db2.gz QSWYKGAQNBQFKL-XQQFMLRXSA-N 1 3 360.252 0.026 20 0 FCADHO [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777967 855809642 /nfs/dbraw/zinc/80/96/42/855809642.db2.gz VMGUAJCFXGYWKO-LBPRGKRZSA-N 1 3 364.412 0.811 20 0 FCADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813692 855828495 /nfs/dbraw/zinc/82/84/95/855828495.db2.gz ZOLOAWSTHAJANH-LZWOXQAQSA-N 1 3 357.376 0.927 20 0 FCADHO COc1ccc(Br)cc1CCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219912272 855876719 /nfs/dbraw/zinc/87/67/19/855876719.db2.gz XEWXTKCWUJSFDM-ZDUSSCGKSA-N 1 3 368.275 0.925 20 0 FCADHO Cc1nn(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C)c1Br ZINC001219997451 855911231 /nfs/dbraw/zinc/91/12/31/855911231.db2.gz XFUCRJJSGZNEIS-ZDUSSCGKSA-N 1 3 358.284 0.706 20 0 FCADHO COC(=O)C1(NC(=O)[C@@H](N)CSCc2ccc(C)cc2)CC[NH2+]CC1 ZINC001220001873 855913046 /nfs/dbraw/zinc/91/30/46/855913046.db2.gz YWRPBDZYUFHCJM-HNNXBMFYSA-N 1 3 365.499 0.967 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220022622 855923855 /nfs/dbraw/zinc/92/38/55/855923855.db2.gz JIHKOLOUZFKYMX-DCAQKATOSA-N 1 3 353.492 0.363 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)CCCCC1 ZINC001220072038 855946046 /nfs/dbraw/zinc/94/60/46/855946046.db2.gz BVICPYYEORPQJU-BBWFWOEESA-N 1 3 353.507 0.696 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCCC3CCOCC3)C[C@@H]2O)CC1 ZINC001220230896 856023726 /nfs/dbraw/zinc/02/37/26/856023726.db2.gz STUXVEBMCHSTBA-SJORKVTESA-N 1 3 353.507 0.696 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CCNC1 ZINC001220521982 856165354 /nfs/dbraw/zinc/16/53/54/856165354.db2.gz WERVVGCRMAZURK-ACJLOTCBSA-N 1 3 351.447 0.462 20 0 FCADHO COCCCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637960 856215133 /nfs/dbraw/zinc/21/51/33/856215133.db2.gz PRQJLWQIBLOVMI-SJORKVTESA-N 1 3 357.495 0.075 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220935910 856385128 /nfs/dbraw/zinc/38/51/28/856385128.db2.gz ANJWJURMTSUBSR-PMPSAXMXSA-N 1 3 356.511 0.385 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1 ZINC001221154694 856488336 /nfs/dbraw/zinc/48/83/36/856488336.db2.gz AYYUSWPZCKROFE-OAHLLOKOSA-N 1 3 354.476 0.299 20 0 FCADHO Cc1ncsc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221328928 856549825 /nfs/dbraw/zinc/54/98/25/856549825.db2.gz ORKDRDZGBCXVCA-KBPBESRZSA-N 1 3 367.519 0.558 20 0 FCADHO CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776996 856678441 /nfs/dbraw/zinc/67/84/41/856678441.db2.gz NHXUGDXCVHBYDS-FGTMMUONSA-N 1 3 355.523 0.894 20 0 FCADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245365 856903676 /nfs/dbraw/zinc/90/36/76/856903676.db2.gz AFTIQBRTIFZVJA-ZACQAIPSSA-N 1 3 353.507 0.791 20 0 FCADHO COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245365 856903681 /nfs/dbraw/zinc/90/36/81/856903681.db2.gz AFTIQBRTIFZVJA-ZACQAIPSSA-N 1 3 353.507 0.791 20 0 FCADHO CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297590 857095879 /nfs/dbraw/zinc/09/58/79/857095879.db2.gz VZCCAJVWZMSKJV-BZUAXINKSA-N 1 3 357.520 0.390 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001226782318 857125460 /nfs/dbraw/zinc/12/54/60/857125460.db2.gz KNIOYQOGGHUIIO-MGPQQGTHSA-N 1 3 350.463 0.293 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226891977 857130238 /nfs/dbraw/zinc/13/02/38/857130238.db2.gz XCTNPVMUOBPCIS-ARFHVFGLSA-N 1 3 359.536 0.922 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001226891977 857130239 /nfs/dbraw/zinc/13/02/39/857130239.db2.gz XCTNPVMUOBPCIS-ARFHVFGLSA-N 1 3 359.536 0.922 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254542 857198433 /nfs/dbraw/zinc/19/84/33/857198433.db2.gz ACNUJNNUTYOTTA-ZIAGYGMSSA-N 1 3 355.483 0.191 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001228624024 857220283 /nfs/dbraw/zinc/22/02/83/857220283.db2.gz QPYJDMAABOYXKP-CHWSQXEVSA-N 1 3 355.483 0.176 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229877165 857291347 /nfs/dbraw/zinc/29/13/47/857291347.db2.gz MJWOCWDNCDUINN-BRWVUGGUSA-N 1 3 351.495 0.603 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230274582 857322478 /nfs/dbraw/zinc/32/24/78/857322478.db2.gz AOOYOTLJZWOZAE-BFHYXJOUSA-N 1 3 355.483 0.188 20 0 FCADHO O=C1Cc2cc(S(=O)(=O)NC[C@H]3CCC4(CCNCC4)[NH2+]3)ccc2N1 ZINC001238240363 857464925 /nfs/dbraw/zinc/46/49/25/857464925.db2.gz HQBOJBXPYKZSHW-CYBMUJFWSA-N 1 3 364.471 0.334 20 0 FCADHO O=C1Cc2cc(S(=O)(=O)NC[C@H]3CCC4(CC[NH2+]CC4)N3)ccc2N1 ZINC001238240363 857464930 /nfs/dbraw/zinc/46/49/30/857464930.db2.gz HQBOJBXPYKZSHW-CYBMUJFWSA-N 1 3 364.471 0.334 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cccc2nccnc21 ZINC001238241712 857465099 /nfs/dbraw/zinc/46/50/99/857465099.db2.gz KVSCDGBLTPSHPA-ZDUSSCGKSA-N 1 3 361.471 0.782 20 0 FCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1cccc2nccnc21 ZINC001238241712 857465104 /nfs/dbraw/zinc/46/51/04/857465104.db2.gz KVSCDGBLTPSHPA-ZDUSSCGKSA-N 1 3 361.471 0.782 20 0 FCADHO COC(=O)[C@H]1CC[C@H](CN2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)CC1 ZINC001279503848 862921138 /nfs/dbraw/zinc/92/11/38/862921138.db2.gz AIWQGAIIIFEOIA-VHKIVQRHSA-N 1 3 353.507 0.912 20 0 FCADHO CCOC(=O)C1=C(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CCNC1 ZINC001246284302 857572496 /nfs/dbraw/zinc/57/24/96/857572496.db2.gz LSWLQSQLKNHNBG-AKJUYKBHSA-N 1 3 351.447 0.459 20 0 FCADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CNCCC2 ZINC001246596663 857585676 /nfs/dbraw/zinc/58/56/76/857585676.db2.gz QJMRMQJAVCEXKG-KRXQYRFLSA-N 1 3 353.463 0.145 20 0 FCADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCN[C@H](C(=O)OC)C3)C[C@@H]1CNCCC2 ZINC001246596663 857585683 /nfs/dbraw/zinc/58/56/83/857585683.db2.gz QJMRMQJAVCEXKG-KRXQYRFLSA-N 1 3 353.463 0.145 20 0 FCADHO c1csc(COCc2nn([C@@H]3CCNC4(C[NH2+]C4)C3)c3c2CNC3)n1 ZINC001246704566 857591941 /nfs/dbraw/zinc/59/19/41/857591941.db2.gz KRWPLEBQBUBCCL-GFCCVEGCSA-N 1 3 360.487 0.926 20 0 FCADHO C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733747 857595152 /nfs/dbraw/zinc/59/51/52/857595152.db2.gz BIPSFARUDNUWQU-ZMMAXQRCSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733747 857595163 /nfs/dbraw/zinc/59/51/63/857595163.db2.gz BIPSFARUDNUWQU-ZMMAXQRCSA-N 1 3 351.491 0.714 20 0 FCADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733744 857595574 /nfs/dbraw/zinc/59/55/74/857595574.db2.gz BIPSFARUDNUWQU-FAJBIJEISA-N 1 3 351.491 0.714 20 0 FCADHO C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)CN1 ZINC001246733744 857595582 /nfs/dbraw/zinc/59/55/82/857595582.db2.gz BIPSFARUDNUWQU-FAJBIJEISA-N 1 3 351.491 0.714 20 0 FCADHO CCOC(=O)[C@@H]1CC[C@@H](N2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CN1 ZINC001246854800 857603346 /nfs/dbraw/zinc/60/33/46/857603346.db2.gz HJLSOTVZNSJZNI-ZXFNITATSA-N 1 3 353.463 0.145 20 0 FCADHO COC(=O)[C@H](N)C1CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)N3)CC1 ZINC001246869337 857604701 /nfs/dbraw/zinc/60/47/01/857604701.db2.gz QTYCOPGVMIVICH-KVDYFSNESA-N 1 3 353.463 0.271 20 0 FCADHO COCCn1c(=O)ccc2c1CC[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253405588 857886347 /nfs/dbraw/zinc/88/63/47/857886347.db2.gz HXPIHWPIMHDRHH-HOTGVXAUSA-N 1 3 351.491 0.691 20 0 FCADHO C[N@@H+]1CCC[C@@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520398 857977279 /nfs/dbraw/zinc/97/72/79/857977279.db2.gz XKWCGSNIYSXJFC-VSZNYVQBSA-N 1 3 351.491 0.666 20 0 FCADHO C[N@H+]1CCC[C@@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001254520398 857977283 /nfs/dbraw/zinc/97/72/83/857977283.db2.gz XKWCGSNIYSXJFC-VSZNYVQBSA-N 1 3 351.491 0.666 20 0 FCADHO CN1CCC[C@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001254519173 857977293 /nfs/dbraw/zinc/97/72/93/857977293.db2.gz HUAXIDACKLJCHH-AWEZNQCLSA-N 1 3 355.508 0.622 20 0 FCADHO COC(=O)[C@@H](C[NH3+])CN[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685765 857980683 /nfs/dbraw/zinc/98/06/83/857980683.db2.gz IXHAIVCPIJNZAG-NWDGAFQWSA-N 1 3 359.492 0.819 20 0 FCADHO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256075675 858052170 /nfs/dbraw/zinc/05/21/70/858052170.db2.gz AFVLWMGOIHVQRM-HKUYNNGSSA-N 1 3 351.491 0.999 20 0 FCADHO Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCN3CC2CC[NH+](C)CC2)c1 ZINC001279629593 862986715 /nfs/dbraw/zinc/98/67/15/862986715.db2.gz XWPHFOAZMGZNDA-HOTGVXAUSA-N 1 3 367.519 0.599 20 0 FCADHO CS(=O)(=O)N1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001257229656 858127874 /nfs/dbraw/zinc/12/78/74/858127874.db2.gz MGEMVUCSJCGZAO-UHFFFAOYSA-N 1 3 359.536 0.891 20 0 FCADHO CCOC[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261320423 858517795 /nfs/dbraw/zinc/51/77/95/858517795.db2.gz BNISKLUTEKHDGB-MRXNPFEDSA-N 1 3 356.511 0.213 20 0 FCADHO CN1CCN(CC(=O)N2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001272868384 860286672 /nfs/dbraw/zinc/28/66/72/860286672.db2.gz RJHXKYODHCTRGL-IBGZPJMESA-N 1 3 351.539 0.110 20 0 FCADHO CC(C)[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1)N(C)C ZINC001273182382 860401633 /nfs/dbraw/zinc/40/16/33/860401633.db2.gz CAHIZCZJYMKTKV-HZPDHXFCSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@H](C(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)N1CCCC1 ZINC001273500749 860509829 /nfs/dbraw/zinc/50/98/29/860509829.db2.gz HMHYCJHWZVMTFX-MJGOQNOKSA-N 1 3 352.523 0.726 20 0 FCADHO Cc1ncsc1CN1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274204849 860706645 /nfs/dbraw/zinc/70/66/45/860706645.db2.gz YNAWPVRSLHARQC-UHFFFAOYSA-N 1 3 364.515 0.943 20 0 FCADHO Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C)CCN1C ZINC001275171105 860976599 /nfs/dbraw/zinc/97/65/99/860976599.db2.gz DGQJQKNTCNWZSS-HRCADAONSA-N 1 3 363.531 0.873 20 0 FCADHO Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C)CCN1C ZINC001275171105 860976613 /nfs/dbraw/zinc/97/66/13/860976613.db2.gz DGQJQKNTCNWZSS-HRCADAONSA-N 1 3 363.531 0.873 20 0 FCADHO COC(C)(C)CN1C[C@@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001280055977 863227853 /nfs/dbraw/zinc/22/78/53/863227853.db2.gz CTZOQOOWTDZOBA-BBWFWOEESA-N 1 3 351.491 0.807 20 0 FCADHO C[NH+]1CCC(CN2CC[C@H]3C[C@]32C(=O)N2CC(N3CC(F)C3)C2)CC1 ZINC001280125451 863276854 /nfs/dbraw/zinc/27/68/54/863276854.db2.gz JGJYCJBHQGNDRU-HNAYVOBHSA-N 1 3 350.482 0.657 20 0 FCADHO CN(C)CCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001280218227 863343832 /nfs/dbraw/zinc/34/38/32/863343832.db2.gz HBQJDTBRKCSTHZ-MLHJIOFPSA-N 1 3 352.523 0.314 20 0 FCADHO COCCN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001280259057 863366850 /nfs/dbraw/zinc/36/68/50/863366850.db2.gz VODKAOHTIQIKHI-BDXSIMOUSA-N 1 3 353.507 0.912 20 0 FCADHO COCCN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001280259057 863366867 /nfs/dbraw/zinc/36/68/67/863366867.db2.gz VODKAOHTIQIKHI-BDXSIMOUSA-N 1 3 353.507 0.912 20 0 FCADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001308937350 866725026 /nfs/dbraw/zinc/72/50/26/866725026.db2.gz WVDZFZQQLNFUQN-UPTPFMHGSA-N 1 3 351.491 0.905 20 0 FCADHO COc1cc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)sn1 ZINC001309419082 866800658 /nfs/dbraw/zinc/80/06/58/866800658.db2.gz VURAQESFLWQPBN-UHFFFAOYSA-N 1 3 362.521 0.798 20 0 FCADHO Cc1ncc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C(N)=O ZINC001311103550 867072790 /nfs/dbraw/zinc/07/27/90/867072790.db2.gz UDSWHAKQYQKGMB-LBPRGKRZSA-N 1 3 350.467 0.882 20 0 FCADHO Cc1ncc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C(N)=O ZINC001311103550 867072801 /nfs/dbraw/zinc/07/28/01/867072801.db2.gz UDSWHAKQYQKGMB-LBPRGKRZSA-N 1 3 350.467 0.882 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@](O)(C(F)F)C3)CC2)CC1 ZINC001311776117 867119795 /nfs/dbraw/zinc/11/97/95/867119795.db2.gz CGDCUZPWXLDDDN-QGZVFWFLSA-N 1 3 360.449 0.957 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCS(C)(=O)=O)CC2)CC1 ZINC001318506848 867683087 /nfs/dbraw/zinc/68/30/87/867683087.db2.gz GIBDZOPNVVBGTR-UHFFFAOYSA-N 1 3 360.524 0.279 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)CCCCCNC(N)=O)CC2)CC1 ZINC001322181174 868755189 /nfs/dbraw/zinc/75/51/89/868755189.db2.gz IHTWXTHAEVDMGN-UHFFFAOYSA-N 1 3 353.511 0.890 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1F ZINC001325697316 869990300 /nfs/dbraw/zinc/99/03/00/869990300.db2.gz GSBABWQTCRWSER-UHFFFAOYSA-N 1 3 352.454 0.736 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C)CC1 ZINC001343243706 870316553 /nfs/dbraw/zinc/31/65/53/870316553.db2.gz SNCPBUYNJORUKD-INIZCTEOSA-N 1 3 353.511 0.713 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN([C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539292 870371305 /nfs/dbraw/zinc/37/13/05/870371305.db2.gz LYDLRBYLOKVGFB-AHCXZYCDSA-N 1 3 351.491 0.985 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001343434013 870423599 /nfs/dbraw/zinc/42/35/99/870423599.db2.gz LPLXVMBIYDGCTB-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001343434013 870423610 /nfs/dbraw/zinc/42/36/10/870423610.db2.gz LPLXVMBIYDGCTB-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO COC1(OC)CC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001347325737 872276957 /nfs/dbraw/zinc/27/69/57/872276957.db2.gz BDYIMKJTOBXSSA-UHFFFAOYSA-N 1 3 354.495 0.996 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571105294 952393309 /nfs/dbraw/zinc/39/33/09/952393309.db2.gz MQPRWESWYBGUEV-ZIAGYGMSSA-N 1 3 373.436 0.648 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571105294 952393315 /nfs/dbraw/zinc/39/33/15/952393315.db2.gz MQPRWESWYBGUEV-ZIAGYGMSSA-N 1 3 373.436 0.648 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000410719229 530064763 /nfs/dbraw/zinc/06/47/63/530064763.db2.gz NPMHWBUTSIHGQI-PXNSSMCTSA-N 1 3 362.518 0.875 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482551 215003481 /nfs/dbraw/zinc/00/34/81/215003481.db2.gz BAJVAFQRKZRTRJ-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000331482551 215003484 /nfs/dbraw/zinc/00/34/84/215003484.db2.gz BAJVAFQRKZRTRJ-SJORKVTESA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000331482549 215003976 /nfs/dbraw/zinc/00/39/76/215003976.db2.gz BAJVAFQRKZRTRJ-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000331482549 215003979 /nfs/dbraw/zinc/00/39/79/215003979.db2.gz BAJVAFQRKZRTRJ-IAGOWNOFSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507346 215007285 /nfs/dbraw/zinc/00/72/85/215007285.db2.gz UAWCBCOFUONYRS-HOCLYGCPSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331566860 215015561 /nfs/dbraw/zinc/01/55/61/215015561.db2.gz LAGHIUMBAFRHFW-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000331566860 215015564 /nfs/dbraw/zinc/01/55/64/215015564.db2.gz LAGHIUMBAFRHFW-IKGGRYGDSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000331620149 215023538 /nfs/dbraw/zinc/02/35/38/215023538.db2.gz FFAFUEIXICXYAN-GVDBMIGSSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000331620149 215023543 /nfs/dbraw/zinc/02/35/43/215023543.db2.gz FFAFUEIXICXYAN-GVDBMIGSSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000331620168 215023871 /nfs/dbraw/zinc/02/38/71/215023871.db2.gz FFAFUEIXICXYAN-YESZJQIVSA-N 1 3 350.507 0.953 20 0 FCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000331620168 215023874 /nfs/dbraw/zinc/02/38/74/215023874.db2.gz FFAFUEIXICXYAN-YESZJQIVSA-N 1 3 350.507 0.953 20 0 FCADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1=O ZINC000264991061 210033496 /nfs/dbraw/zinc/03/34/96/210033496.db2.gz BPMVBDQEZSDYSI-ROUUACIJSA-N 1 3 358.486 0.787 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)C1 ZINC000332134075 215099201 /nfs/dbraw/zinc/09/92/01/215099201.db2.gz ITLQRZOZVXLFNJ-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)C1 ZINC000332134075 215099205 /nfs/dbraw/zinc/09/92/05/215099205.db2.gz ITLQRZOZVXLFNJ-BRWVUGGUSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000332134077 215099757 /nfs/dbraw/zinc/09/97/57/215099757.db2.gz ITLQRZOZVXLFNJ-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000332134077 215099761 /nfs/dbraw/zinc/09/97/61/215099761.db2.gz ITLQRZOZVXLFNJ-GVDBMIGSSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000286623086 213516715 /nfs/dbraw/zinc/51/67/15/213516715.db2.gz ZAASCSLYHDZCFH-HNNXBMFYSA-N 1 3 364.490 0.700 20 0 FCADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000333298078 215259419 /nfs/dbraw/zinc/25/94/19/215259419.db2.gz KANAQZPUBDYWJV-GDBMZVCRSA-N 1 3 359.478 0.977 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC2CC[NH+](C)CC2)o1 ZINC000284779474 213217633 /nfs/dbraw/zinc/21/76/33/213217633.db2.gz JSEUMJHZTLCEDP-UHFFFAOYSA-N 1 3 350.463 0.689 20 0 FCADHO C[C@@H](CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237354609 209350486 /nfs/dbraw/zinc/35/04/86/209350486.db2.gz CBVVEBGBIUCSMW-LSDHHAIUSA-N 1 3 364.494 0.525 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(C[NH2+]C)CC2)CC1=O ZINC000236831911 209344839 /nfs/dbraw/zinc/34/48/39/209344839.db2.gz IHTNYLZSMHWOSA-DLBZAZTESA-N 1 3 350.507 0.777 20 0 FCADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CN2CCN1CCC2 ZINC000368575582 216265759 /nfs/dbraw/zinc/26/57/59/216265759.db2.gz IWUYONXUNBYQQN-SQNIBIBYSA-N 1 3 350.507 0.260 20 0 FCADHO COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000369333352 216384878 /nfs/dbraw/zinc/38/48/78/216384878.db2.gz BMHXCJKPBYHPPG-IEBWSBKVSA-N 1 3 357.539 0.889 20 0 FCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000187956103 209221483 /nfs/dbraw/zinc/22/14/83/209221483.db2.gz KDDGJEDFRQMKHJ-DLBZAZTESA-N 1 3 360.458 0.828 20 0 FCADHO C[C@H]1C[C@H](CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742663 245318907 /nfs/dbraw/zinc/31/89/07/245318907.db2.gz NSVXPKYKYNSGKZ-DLBZAZTESA-N 1 3 360.506 0.823 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC3CC[NH2+]CC3)c(C)c2)CC1 ZINC000415273186 245373967 /nfs/dbraw/zinc/37/39/67/245373967.db2.gz VSBIFIIYPQILFD-UHFFFAOYSA-N 1 3 373.501 0.944 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000415331108 245390875 /nfs/dbraw/zinc/39/08/75/245390875.db2.gz ZXDOYXWHHAVHDN-SFHVURJKSA-N 1 3 373.501 0.583 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000415413576 245407124 /nfs/dbraw/zinc/40/71/24/245407124.db2.gz IQSOTPQQUITPCM-ZDUSSCGKSA-N 1 3 350.463 0.846 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415754432 245487180 /nfs/dbraw/zinc/48/71/80/245487180.db2.gz ZMEXNBWTCFFLHN-HUUCEWRRSA-N 1 3 360.458 0.633 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000376081656 217354635 /nfs/dbraw/zinc/35/46/35/217354635.db2.gz MRWYEKFHOHJQES-INIZCTEOSA-N 1 3 356.511 0.849 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000376081656 217354636 /nfs/dbraw/zinc/35/46/36/217354636.db2.gz MRWYEKFHOHJQES-INIZCTEOSA-N 1 3 356.511 0.849 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418778395 245826009 /nfs/dbraw/zinc/82/60/09/245826009.db2.gz ISCXKXRZSMVLRN-UHFFFAOYSA-N 1 3 361.490 0.041 20 0 FCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419126194 246001526 /nfs/dbraw/zinc/00/15/26/246001526.db2.gz VSFSVKNJUFOJKR-KFWWJZLASA-N 1 3 354.495 0.596 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000419154539 246020414 /nfs/dbraw/zinc/02/04/14/246020414.db2.gz RPTNMOQORWFSHB-AWEZNQCLSA-N 1 3 352.504 0.754 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000419158813 246024303 /nfs/dbraw/zinc/02/43/03/246024303.db2.gz YIZOERTWGDQOKX-ZIAGYGMSSA-N 1 3 352.504 0.930 20 0 FCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419132505 246006994 /nfs/dbraw/zinc/00/69/94/246006994.db2.gz BOGXWHZZSLRYMF-WBVHZDCISA-N 1 3 362.474 0.247 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](CN)C1 ZINC000419136810 246011393 /nfs/dbraw/zinc/01/13/93/246011393.db2.gz PSNFJTIDLCAIPF-RRFJBIMHSA-N 1 3 356.511 0.434 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000419146245 246014746 /nfs/dbraw/zinc/01/47/46/246014746.db2.gz ICIVWGVXWPOFHZ-IJEWVQPXSA-N 1 3 364.515 0.882 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419145786 246015714 /nfs/dbraw/zinc/01/57/14/246015714.db2.gz HUBPJDUSHHHXOM-LSDHHAIUSA-N 1 3 362.474 0.439 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000419171373 246031974 /nfs/dbraw/zinc/03/19/74/246031974.db2.gz XNYPSIVZNBFEDF-QZTJIDSGSA-N 1 3 374.485 0.247 20 0 FCADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170850 246032289 /nfs/dbraw/zinc/03/22/89/246032289.db2.gz OBHVGHOQWOHZOD-WMZOPIPTSA-N 1 3 358.486 0.521 20 0 FCADHO NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170850 246032292 /nfs/dbraw/zinc/03/22/92/246032292.db2.gz OBHVGHOQWOHZOD-WMZOPIPTSA-N 1 3 358.486 0.521 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419172508 246032478 /nfs/dbraw/zinc/03/24/78/246032478.db2.gz ZCOIUJSVNAZQQG-RDJZCZTQSA-N 1 3 362.474 0.199 20 0 FCADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170848 246033708 /nfs/dbraw/zinc/03/37/08/246033708.db2.gz OBHVGHOQWOHZOD-FUHWJXTLSA-N 1 3 358.486 0.521 20 0 FCADHO NC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000419170848 246033713 /nfs/dbraw/zinc/03/37/13/246033713.db2.gz OBHVGHOQWOHZOD-FUHWJXTLSA-N 1 3 358.486 0.521 20 0 FCADHO COCCNCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419180459 246038919 /nfs/dbraw/zinc/03/89/19/246038919.db2.gz JWTJSKXDIJZBDE-INIZCTEOSA-N 1 3 354.495 0.252 20 0 FCADHO COCCNCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419180459 246038923 /nfs/dbraw/zinc/03/89/23/246038923.db2.gz JWTJSKXDIJZBDE-INIZCTEOSA-N 1 3 354.495 0.252 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419188383 246043554 /nfs/dbraw/zinc/04/35/54/246043554.db2.gz SNTOXTHQGNMAHT-JKSUJKDBSA-N 1 3 352.479 0.004 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419188383 246043557 /nfs/dbraw/zinc/04/35/57/246043557.db2.gz SNTOXTHQGNMAHT-JKSUJKDBSA-N 1 3 352.479 0.004 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419188380 246043568 /nfs/dbraw/zinc/04/35/68/246043568.db2.gz SNTOXTHQGNMAHT-CVEARBPZSA-N 1 3 352.479 0.004 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419188380 246043572 /nfs/dbraw/zinc/04/35/72/246043572.db2.gz SNTOXTHQGNMAHT-CVEARBPZSA-N 1 3 352.479 0.004 20 0 FCADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCCNCC2)CC1 ZINC000419193401 246045474 /nfs/dbraw/zinc/04/54/74/246045474.db2.gz QTUINIDCKJLINL-UHFFFAOYSA-N 1 3 358.486 0.898 20 0 FCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419215005 246059077 /nfs/dbraw/zinc/05/90/77/246059077.db2.gz NQICFDNKDCQSCI-QGZVFWFLSA-N 1 3 362.474 0.248 20 0 FCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419215005 246059081 /nfs/dbraw/zinc/05/90/81/246059081.db2.gz NQICFDNKDCQSCI-QGZVFWFLSA-N 1 3 362.474 0.248 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000419220644 246061231 /nfs/dbraw/zinc/06/12/31/246061231.db2.gz VEJHMRZHVUXSIB-RHSMWYFYSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419221878 246061732 /nfs/dbraw/zinc/06/17/32/246061732.db2.gz AWMUEZXXZWEKRR-YSHGAJCASA-N 1 3 370.497 0.691 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000419223123 246061983 /nfs/dbraw/zinc/06/19/83/246061983.db2.gz CLCSPKCWMINDTM-PVAVHDDUSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)[C@H]1C[NH3+] ZINC000419224073 246063747 /nfs/dbraw/zinc/06/37/47/246063747.db2.gz FCMSWKJFXIIDPA-OIISXLGYSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419225457 246064959 /nfs/dbraw/zinc/06/49/59/246064959.db2.gz HBQNBHJRRBVQDW-CGTJXYLNSA-N 1 3 358.486 0.963 20 0 FCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419287923 246086989 /nfs/dbraw/zinc/08/69/89/246086989.db2.gz QROBXTSSCVFUKO-DOTOQJQBSA-N 1 3 364.465 0.927 20 0 FCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419287923 246086994 /nfs/dbraw/zinc/08/69/94/246086994.db2.gz QROBXTSSCVFUKO-DOTOQJQBSA-N 1 3 364.465 0.927 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)Cc1ccccc1 ZINC000419369452 246119504 /nfs/dbraw/zinc/11/95/04/246119504.db2.gz HTQYHXAFNIRJAZ-ZWKOTPCHSA-N 1 3 360.502 0.876 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000419373732 246122447 /nfs/dbraw/zinc/12/24/47/246122447.db2.gz MXVNARRPZRXOMT-CRAIPNDOSA-N 1 3 372.513 0.706 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CCC(C)CC1 ZINC000419371435 246123285 /nfs/dbraw/zinc/12/32/85/246123285.db2.gz KSWHSRMNNDFRRV-KZNAEPCWSA-N 1 3 364.534 0.927 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419381545 246124659 /nfs/dbraw/zinc/12/46/59/246124659.db2.gz YIUKBCPZELHTEA-DLBZAZTESA-N 1 3 358.486 0.588 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419378510 246125084 /nfs/dbraw/zinc/12/50/84/246125084.db2.gz VSBVGKUGEXSNIJ-DLBZAZTESA-N 1 3 352.523 0.975 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402357 246138274 /nfs/dbraw/zinc/13/82/74/246138274.db2.gz CHTYJBZIGGTYLC-GDBMZVCRSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402357 246138282 /nfs/dbraw/zinc/13/82/82/246138282.db2.gz CHTYJBZIGGTYLC-GDBMZVCRSA-N 1 3 368.522 0.986 20 0 FCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419431258 246158923 /nfs/dbraw/zinc/15/89/23/246158923.db2.gz XAHWIDGLNAJDRY-UHFFFAOYSA-N 1 3 360.502 0.994 20 0 FCADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000419428132 246159686 /nfs/dbraw/zinc/15/96/86/246159686.db2.gz SRKONXIKSZVIGI-DLBZAZTESA-N 1 3 360.458 0.126 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000419528322 246191472 /nfs/dbraw/zinc/19/14/72/246191472.db2.gz CAMNZOGAIXQJNE-IRXDYDNUSA-N 1 3 362.474 0.290 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483584 246179470 /nfs/dbraw/zinc/17/94/70/246179470.db2.gz RZVHXNZBCCMZLD-JKSUJKDBSA-N 1 3 368.522 0.844 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000419663208 246236077 /nfs/dbraw/zinc/23/60/77/246236077.db2.gz PVHMXUGOAQAMMU-KANFNMMFSA-N 1 3 370.497 0.834 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC000419672469 246241881 /nfs/dbraw/zinc/24/18/81/246241881.db2.gz IDQBBMWPDGZKFA-MRXNPFEDSA-N 1 3 366.506 0.335 20 0 FCADHO O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCC1CCN(CCO)CC1 ZINC000419753851 246284004 /nfs/dbraw/zinc/28/40/04/246284004.db2.gz DSCPEOFOGIRZBP-UHFFFAOYSA-N 1 3 368.522 0.236 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000419777068 246293852 /nfs/dbraw/zinc/29/38/52/246293852.db2.gz MSWRHYCACKJCPT-RBUKOAKNSA-N 1 3 370.497 0.930 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419779717 246295111 /nfs/dbraw/zinc/29/51/11/246295111.db2.gz PQMOOVCXRNAJID-MRXNPFEDSA-N 1 3 368.522 0.579 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])CCCC2)CC1 ZINC000419745938 246280316 /nfs/dbraw/zinc/28/03/16/246280316.db2.gz BERFYIIQUVOXFV-AWEZNQCLSA-N 1 3 354.495 0.380 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419835893 246311707 /nfs/dbraw/zinc/31/17/07/246311707.db2.gz VHJKTQLUHNHBGM-HNNXBMFYSA-N 1 3 355.527 0.010 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000419834535 246312152 /nfs/dbraw/zinc/31/21/52/246312152.db2.gz SPRJOPFVERVSCV-HZPDHXFCSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419844414 246318168 /nfs/dbraw/zinc/31/81/68/246318168.db2.gz OFTUZXGSZGVDST-SFHVURJKSA-N 1 3 360.502 0.878 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000419847633 246320509 /nfs/dbraw/zinc/32/05/09/246320509.db2.gz TYDYEKGIKWKDPA-MRXNPFEDSA-N 1 3 362.474 0.454 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC2CCC([NH3+])CC2)o1 ZINC000419866805 246334606 /nfs/dbraw/zinc/33/46/06/246334606.db2.gz HKZFTRJELHVEJV-UHFFFAOYSA-N 1 3 350.463 0.864 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419874966 246342486 /nfs/dbraw/zinc/34/24/86/246342486.db2.gz OAEGYMQVPBSSOP-HXUWFJFHSA-N 1 3 358.486 0.837 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419876853 246344805 /nfs/dbraw/zinc/34/48/05/246344805.db2.gz FJVSBPVYRDUSAN-OAHLLOKOSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419885411 246350015 /nfs/dbraw/zinc/35/00/15/246350015.db2.gz BDWOZJIOBMKPAN-INIZCTEOSA-N 1 3 350.438 0.584 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000419883635 246350865 /nfs/dbraw/zinc/35/08/65/246350865.db2.gz WJSABWKNFDMVBU-DLBZAZTESA-N 1 3 362.474 0.277 20 0 FCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000419898970 246357752 /nfs/dbraw/zinc/35/77/52/246357752.db2.gz PZSPFVFEUGGUPR-UHFFFAOYSA-N 1 3 374.407 0.931 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419945034 246381069 /nfs/dbraw/zinc/38/10/69/246381069.db2.gz BWPMGHCGVNXXCN-NVXWUHKLSA-N 1 3 361.490 0.606 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419958314 246389282 /nfs/dbraw/zinc/38/92/82/246389282.db2.gz QDZPXPPYMPSXJL-SOUVJXGZSA-N 1 3 354.495 0.045 20 0 FCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419965174 246390199 /nfs/dbraw/zinc/39/01/99/246390199.db2.gz GRLQTUPIKJGQJV-AWEZNQCLSA-N 1 3 352.454 0.688 20 0 FCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419973613 246397495 /nfs/dbraw/zinc/39/74/95/246397495.db2.gz GRDOJKPCQSAJID-CVEARBPZSA-N 1 3 367.538 0.103 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC[C@H]1[NH3+] ZINC000423361479 247010775 /nfs/dbraw/zinc/01/07/75/247010775.db2.gz GYENPINVYJZSEK-DZGCQCFKSA-N 1 3 352.504 0.834 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423531558 247044919 /nfs/dbraw/zinc/04/49/19/247044919.db2.gz YCCQFDRMJPXJKI-DOTOQJQBSA-N 1 3 362.449 0.631 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC2CCN(c3ccncc3)CC2)C1 ZINC000423442295 247027244 /nfs/dbraw/zinc/02/72/44/247027244.db2.gz BNRXWFYNZKTVOF-KRWDZBQOSA-N 1 3 373.501 0.967 20 0 FCADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423602156 247070935 /nfs/dbraw/zinc/07/09/35/247070935.db2.gz FHGUKKVJKGPWAI-MRXNPFEDSA-N 1 3 366.506 0.430 20 0 FCADHO COC(=O)CCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000423858944 247145665 /nfs/dbraw/zinc/14/56/65/247145665.db2.gz FILCLDXVKGMXGI-HNNXBMFYSA-N 1 3 354.495 0.286 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423725778 247127962 /nfs/dbraw/zinc/12/79/62/247127962.db2.gz SVKCDDYXORBNJX-NXHRZFHOSA-N 1 3 358.486 0.773 20 0 FCADHO C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423725778 247127966 /nfs/dbraw/zinc/12/79/66/247127966.db2.gz SVKCDDYXORBNJX-NXHRZFHOSA-N 1 3 358.486 0.773 20 0 FCADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423749490 247136677 /nfs/dbraw/zinc/13/66/77/247136677.db2.gz RUOAGNCVJLDZAX-OAGGEKHMSA-N 1 3 355.479 0.759 20 0 FCADHO O=C(NCC1(N2CCCC2)CCOCC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424155228 247174471 /nfs/dbraw/zinc/17/44/71/247174471.db2.gz MOEQBNVXMAMDDI-OAHLLOKOSA-N 1 3 362.478 0.577 20 0 FCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536867 247254972 /nfs/dbraw/zinc/25/49/72/247254972.db2.gz BRMXRDVJXFICFJ-YDZRNGNQSA-N 1 3 370.497 0.963 20 0 FCADHO CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424437058 247215991 /nfs/dbraw/zinc/21/59/91/247215991.db2.gz IOCGXRYLLFPTAK-UHFFFAOYSA-N 1 3 361.490 0.536 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000443633484 248333461 /nfs/dbraw/zinc/33/34/61/248333461.db2.gz QBCWTVMJZBKEIT-IKGGRYGDSA-N 1 3 367.538 0.911 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000443633484 248333464 /nfs/dbraw/zinc/33/34/64/248333464.db2.gz QBCWTVMJZBKEIT-IKGGRYGDSA-N 1 3 367.538 0.911 20 0 FCADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000444353839 248355717 /nfs/dbraw/zinc/35/57/17/248355717.db2.gz RXYNTKJNVTXUPE-YJBOKZPZSA-N 1 3 353.507 0.933 20 0 FCADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000444353839 248355719 /nfs/dbraw/zinc/35/57/19/248355719.db2.gz RXYNTKJNVTXUPE-YJBOKZPZSA-N 1 3 353.507 0.933 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452780740 249331637 /nfs/dbraw/zinc/33/16/37/249331637.db2.gz HRASZLZJEOYNPO-QGZVFWFLSA-N 1 3 353.507 0.985 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452780740 249331639 /nfs/dbraw/zinc/33/16/39/249331639.db2.gz HRASZLZJEOYNPO-QGZVFWFLSA-N 1 3 353.507 0.985 20 0 FCADHO CN(C)CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000471639215 250112438 /nfs/dbraw/zinc/11/24/38/250112438.db2.gz XIZSAUBKESKFNL-SJORKVTESA-N 1 3 356.511 0.632 20 0 FCADHO CN(C)[C@@]1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCSC1 ZINC000481653286 250348518 /nfs/dbraw/zinc/34/85/18/250348518.db2.gz AQJKFQUKHPRMLH-RHSMWYFYSA-N 1 3 371.551 0.310 20 0 FCADHO CN(C)[C@@]1(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCSC1 ZINC000481653286 250348525 /nfs/dbraw/zinc/34/85/25/250348525.db2.gz AQJKFQUKHPRMLH-RHSMWYFYSA-N 1 3 371.551 0.310 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539410 250340835 /nfs/dbraw/zinc/34/08/35/250340835.db2.gz JFARQSHCAXNGIQ-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000481539410 250340837 /nfs/dbraw/zinc/34/08/37/250340837.db2.gz JFARQSHCAXNGIQ-CVEARBPZSA-N 1 3 353.511 0.665 20 0 FCADHO CCN1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000081396108 208099849 /nfs/dbraw/zinc/09/98/49/208099849.db2.gz QVEYFYJGQQJNFD-UHFFFAOYSA-N 1 3 373.545 0.952 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)(C)C[NH+](C)C ZINC000120616730 208388528 /nfs/dbraw/zinc/38/85/28/208388528.db2.gz FPYYVABKNWDODX-CVEARBPZSA-N 1 3 367.538 0.911 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)NCC3CC3)CC2)CC1 ZINC000180990910 209104565 /nfs/dbraw/zinc/10/45/65/209104565.db2.gz HKHPOUHQMPCAIT-UHFFFAOYSA-N 1 3 351.495 0.370 20 0 FCADHO CCN(C)CCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000180046687 209091350 /nfs/dbraw/zinc/09/13/50/209091350.db2.gz BNLVIZBTBWDELN-UHFFFAOYSA-N 1 3 350.467 0.546 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410431765 230077346 /nfs/dbraw/zinc/07/73/46/230077346.db2.gz IIKASQSMTVOEHM-KRWDZBQOSA-N 1 3 368.522 0.500 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410433136 230077520 /nfs/dbraw/zinc/07/75/20/230077520.db2.gz KZKSSHSVCPVOTI-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000410433136 230077523 /nfs/dbraw/zinc/07/75/23/230077523.db2.gz KZKSSHSVCPVOTI-IRXDYDNUSA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000410483316 230098267 /nfs/dbraw/zinc/09/82/67/230098267.db2.gz DFLSLRPFILWNCZ-SFHVURJKSA-N 1 3 373.501 0.919 20 0 FCADHO Nc1nc(NCCCC[NH+]2CCN(CCO)CC2)cc(-n2cccn2)n1 ZINC000536767632 484547995 /nfs/dbraw/zinc/54/79/95/484547995.db2.gz ULOKWUSSKURLTA-UHFFFAOYSA-N 1 3 360.466 0.047 20 0 FCADHO OC[C@H]1CC[C@H](CO)N1Cc1ccccc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287560686 488881761 /nfs/dbraw/zinc/88/17/61/488881761.db2.gz WWEVIRUADHTKQJ-UAFMIMERSA-N 1 3 364.486 0.322 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311699589 488895142 /nfs/dbraw/zinc/89/51/42/488895142.db2.gz UHMUAWXRBXBXSQ-SJLPKXTDSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311699589 488895146 /nfs/dbraw/zinc/89/51/46/488895146.db2.gz UHMUAWXRBXBXSQ-SJLPKXTDSA-N 1 3 358.486 0.835 20 0 FCADHO COCCN1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283031 488943513 /nfs/dbraw/zinc/94/35/13/488943513.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 1 3 367.538 0.517 20 0 FCADHO COCCN1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283031 488943515 /nfs/dbraw/zinc/94/35/15/488943515.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 1 3 367.538 0.517 20 0 FCADHO CCCC[C@H](NC(N)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796853 488114471 /nfs/dbraw/zinc/11/44/71/488114471.db2.gz ICZLEAGVXSHGJJ-INIZCTEOSA-N 1 3 353.511 0.888 20 0 FCADHO CC(=O)N1CCC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000050801064 488115302 /nfs/dbraw/zinc/11/53/02/488115302.db2.gz BKZIZEQVDURFAO-MRXNPFEDSA-N 1 3 350.507 0.920 20 0 FCADHO CN[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000569807736 491193999 /nfs/dbraw/zinc/19/39/99/491193999.db2.gz NWNCFJZBYAZOPZ-QGZVFWFLSA-N 1 3 362.522 0.747 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1=O ZINC000073880575 488386757 /nfs/dbraw/zinc/38/67/57/488386757.db2.gz HXZOOYVSOKCXOG-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1=O ZINC000073880575 488386758 /nfs/dbraw/zinc/38/67/58/488386758.db2.gz HXZOOYVSOKCXOG-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000074345430 488391249 /nfs/dbraw/zinc/39/12/49/488391249.db2.gz NUGNOUBKNDEWBF-IRXDYDNUSA-N 1 3 367.538 0.993 20 0 FCADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCC(C)CC1 ZINC000074345430 488391252 /nfs/dbraw/zinc/39/12/52/488391252.db2.gz NUGNOUBKNDEWBF-IRXDYDNUSA-N 1 3 367.538 0.993 20 0 FCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562831765 491194805 /nfs/dbraw/zinc/19/48/05/491194805.db2.gz RSTPTNQGNPAJLM-IYBDPMFKSA-N 1 3 368.522 0.450 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000074616592 488392700 /nfs/dbraw/zinc/39/27/00/488392700.db2.gz MEWDDFLUYSZZMV-QGZVFWFLSA-N 1 3 355.527 0.376 20 0 FCADHO COCCCN(C)CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000074616592 488392703 /nfs/dbraw/zinc/39/27/03/488392703.db2.gz MEWDDFLUYSZZMV-QGZVFWFLSA-N 1 3 355.527 0.376 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076308864 488402925 /nfs/dbraw/zinc/40/29/25/488402925.db2.gz DSYYCOGPKGADSJ-GOSISDBHSA-N 1 3 354.539 0.923 20 0 FCADHO CN(CCCN(C)CC(=O)NC(=O)NC1CCCCC1)CC[NH+](C)C ZINC000569847753 491198324 /nfs/dbraw/zinc/19/83/24/491198324.db2.gz IRHSCPVZMNXAHF-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000093735152 488479595 /nfs/dbraw/zinc/47/95/95/488479595.db2.gz MCZIKIRRKGCSKQ-UHFFFAOYSA-N 1 3 350.463 0.161 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1=O ZINC000247301818 488484557 /nfs/dbraw/zinc/48/45/57/488484557.db2.gz PDJKOFIUYNEARI-USXIJHARSA-N 1 3 350.507 0.905 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000103210965 488499930 /nfs/dbraw/zinc/49/99/30/488499930.db2.gz UYNXGCOYSBSWKS-SFHVURJKSA-N 1 3 360.502 0.987 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000105263385 488508932 /nfs/dbraw/zinc/50/89/32/488508932.db2.gz DLDUJIFTZKRFDY-HNNXBMFYSA-N 1 3 353.511 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105263385 488508933 /nfs/dbraw/zinc/50/89/33/488508933.db2.gz DLDUJIFTZKRFDY-HNNXBMFYSA-N 1 3 353.511 0.665 20 0 FCADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)O1 ZINC000261604815 488527121 /nfs/dbraw/zinc/52/71/21/488527121.db2.gz ALTUTPICBMJYCS-MSOLQXFVSA-N 1 3 374.485 0.635 20 0 FCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261799754 488536463 /nfs/dbraw/zinc/53/64/63/488536463.db2.gz IUXHQWXIPRSERD-VVLHAWIVSA-N 1 3 350.507 0.966 20 0 FCADHO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)O1 ZINC000261846845 488537878 /nfs/dbraw/zinc/53/78/78/488537878.db2.gz RAWJWVOBKRFMTI-SJORKVTESA-N 1 3 360.458 0.957 20 0 FCADHO CCN1CCN([C@@H]2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562998 488541027 /nfs/dbraw/zinc/54/10/27/488541027.db2.gz XZVYEDWPWGBSCS-LJQANCHMSA-N 1 3 365.566 0.687 20 0 FCADHO CN1CC=C(CNC(=O)C2(C(=O)NCC3=CC[N@H+](C)CC3)CCC2)CC1 ZINC000271885530 488552154 /nfs/dbraw/zinc/55/21/54/488552154.db2.gz CYYZWDCDAWMJTL-UHFFFAOYSA-N 1 3 360.502 0.913 20 0 FCADHO CN1CC=C(CNC(=O)C2(C(=O)NCC3=CC[N@@H+](C)CC3)CCC2)CC1 ZINC000271885530 488552156 /nfs/dbraw/zinc/55/21/56/488552156.db2.gz CYYZWDCDAWMJTL-UHFFFAOYSA-N 1 3 360.502 0.913 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000122061975 488575107 /nfs/dbraw/zinc/57/51/07/488575107.db2.gz FGTXGLRAQXSGJF-HUUCEWRRSA-N 1 3 362.478 0.326 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000122061975 488575109 /nfs/dbraw/zinc/57/51/09/488575109.db2.gz FGTXGLRAQXSGJF-HUUCEWRRSA-N 1 3 362.478 0.326 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1=O ZINC000262598832 488580035 /nfs/dbraw/zinc/58/00/35/488580035.db2.gz WNYZKFKZTYEFNH-QBPKDAKJSA-N 1 3 350.507 0.905 20 0 FCADHO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000123437017 488585396 /nfs/dbraw/zinc/58/53/96/488585396.db2.gz BHNJGGPUINHQLN-QGZVFWFLSA-N 1 3 362.474 0.650 20 0 FCADHO CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000124231108 488590746 /nfs/dbraw/zinc/59/07/46/488590746.db2.gz UKHIZSGANDYTPG-KRWDZBQOSA-N 1 3 362.474 0.302 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806806 488594381 /nfs/dbraw/zinc/59/43/81/488594381.db2.gz PUMPQXRDAKUKIF-SJORKVTESA-N 1 3 362.522 0.811 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000263245127 488607265 /nfs/dbraw/zinc/60/72/65/488607265.db2.gz MOWYFGCBDAHPRK-KRWDZBQOSA-N 1 3 350.463 0.343 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000129172258 488629187 /nfs/dbraw/zinc/62/91/87/488629187.db2.gz GIKLFIOLSDDTTE-KRWDZBQOSA-N 1 3 352.523 0.630 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000563077620 491213009 /nfs/dbraw/zinc/21/30/09/491213009.db2.gz FOZRSWPXJMUYMF-INIZCTEOSA-N 1 3 364.494 0.649 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000130609246 488638501 /nfs/dbraw/zinc/63/85/01/488638501.db2.gz CFZAXAYZASQJGB-UHFFFAOYSA-N 1 3 373.461 0.158 20 0 FCADHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000132028302 488650085 /nfs/dbraw/zinc/65/00/85/488650085.db2.gz NNUCPMGSKOVTGY-HNNXBMFYSA-N 1 3 362.474 0.554 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000136644679 488678594 /nfs/dbraw/zinc/67/85/94/488678594.db2.gz KIRZILYOKFWUFL-KRWDZBQOSA-N 1 3 363.506 0.561 20 0 FCADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000136814287 488679101 /nfs/dbraw/zinc/67/91/01/488679101.db2.gz CREOUGUWXQBFIM-JKSUJKDBSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000138494450 488682148 /nfs/dbraw/zinc/68/21/48/488682148.db2.gz VJSKLCYXCWIQEK-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@@H+](CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000138494450 488682149 /nfs/dbraw/zinc/68/21/49/488682149.db2.gz VJSKLCYXCWIQEK-INIZCTEOSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000554630649 491214205 /nfs/dbraw/zinc/21/42/05/491214205.db2.gz XOCRAVTWUUXIRM-OAHLLOKOSA-N 1 3 350.507 0.991 20 0 FCADHO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)C(=O)NCCN1CCCCC1 ZINC000563095405 491214984 /nfs/dbraw/zinc/21/49/84/491214984.db2.gz RSTUVEFGJOOZCK-PBHICJAKSA-N 1 3 364.465 0.975 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000153036204 488726037 /nfs/dbraw/zinc/72/60/37/488726037.db2.gz UBEUHOGQLZWSFX-SFHVURJKSA-N 1 3 360.502 0.734 20 0 FCADHO COc1cccc(-n2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn2)c1 ZINC000570156380 491220309 /nfs/dbraw/zinc/22/03/09/491220309.db2.gz OULQMTBAGXAXKC-UHFFFAOYSA-N 1 3 360.462 0.841 20 0 FCADHO C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)CN1CCOCC1 ZINC000163422253 488807163 /nfs/dbraw/zinc/80/71/63/488807163.db2.gz UFBJINHTZQJNBS-QGZVFWFLSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)CN1CCOCC1 ZINC000163422253 488807165 /nfs/dbraw/zinc/80/71/65/488807165.db2.gz UFBJINHTZQJNBS-QGZVFWFLSA-N 1 3 369.554 0.622 20 0 FCADHO C[C@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)CN1CCOCC1 ZINC000163422253 488807167 /nfs/dbraw/zinc/80/71/67/488807167.db2.gz UFBJINHTZQJNBS-QGZVFWFLSA-N 1 3 369.554 0.622 20 0 FCADHO C[NH+](C)CCN1CCC(CNC(=O)CCCCN2CCOCC2)CC1 ZINC000172202683 488831079 /nfs/dbraw/zinc/83/10/79/488831079.db2.gz MQOZFYMPZFQDOL-UHFFFAOYSA-N 1 3 354.539 0.879 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000570199380 491223899 /nfs/dbraw/zinc/22/38/99/491223899.db2.gz NNNFHCXLODTVSA-HOCLYGCPSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570199380 491223900 /nfs/dbraw/zinc/22/39/00/491223900.db2.gz NNNFHCXLODTVSA-HOCLYGCPSA-N 1 3 350.507 0.918 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](CC(N)=O)C3)CC2)CC1 ZINC000175412737 488854082 /nfs/dbraw/zinc/85/40/82/488854082.db2.gz CWSOOOXGHPLQNI-OAHLLOKOSA-N 1 3 365.522 0.842 20 0 FCADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000175780047 488855733 /nfs/dbraw/zinc/85/57/33/488855733.db2.gz GHJUQZGEGGDICX-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000175780047 488855734 /nfs/dbraw/zinc/85/57/34/488855734.db2.gz GHJUQZGEGGDICX-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO NC(=O)CC1CCN(CCOCC[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000178595402 488860526 /nfs/dbraw/zinc/86/05/26/488860526.db2.gz GUOICHSPQVTUSE-UHFFFAOYSA-N 1 3 354.495 0.178 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc2n[nH]cc21 ZINC000563183858 491225651 /nfs/dbraw/zinc/22/56/51/491225651.db2.gz XWXKFURBDMMOHL-UHFFFAOYSA-N 1 3 360.462 0.762 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](CCCN3C(=O)CNC3=O)CC2)CC1 ZINC000364943559 489021355 /nfs/dbraw/zinc/02/13/55/489021355.db2.gz MJSYLCHEGAYQAE-UHFFFAOYSA-N 1 3 351.495 0.278 20 0 FCADHO CN(C)[C@H]1CCN(C(=O)c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)ccn2)C1 ZINC000329890062 489045727 /nfs/dbraw/zinc/04/57/27/489045727.db2.gz FNQLGTSIZUAGDB-CVEARBPZSA-N 1 3 359.474 0.634 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)c2ccnc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)C1 ZINC000329890062 489045731 /nfs/dbraw/zinc/04/57/31/489045731.db2.gz FNQLGTSIZUAGDB-CVEARBPZSA-N 1 3 359.474 0.634 20 0 FCADHO COC[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281312019 489066457 /nfs/dbraw/zinc/06/64/57/489066457.db2.gz ZEMLLRYZVDLHRT-ZBFHGGJFSA-N 1 3 373.519 0.575 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365942092 489128628 /nfs/dbraw/zinc/12/86/28/489128628.db2.gz RXJSCINAIJRZAO-CQSZACIVSA-N 1 3 364.494 0.935 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365942092 489128630 /nfs/dbraw/zinc/12/86/30/489128630.db2.gz RXJSCINAIJRZAO-CQSZACIVSA-N 1 3 364.494 0.935 20 0 FCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)CC1CC[NH+](C)CC1)C2 ZINC000366254028 489163525 /nfs/dbraw/zinc/16/35/25/489163525.db2.gz GDKAFICDILHQEY-ALOPSCKCSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331379896 489203814 /nfs/dbraw/zinc/20/38/14/489203814.db2.gz GECSJXAQINVJIS-DMRKSPOLSA-N 1 3 350.507 0.537 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3nnc4c3CCCC4)CC2)CC1 ZINC000563375641 491240563 /nfs/dbraw/zinc/24/05/63/491240563.db2.gz HZGGNUSMDQQMJW-UHFFFAOYSA-N 1 3 360.506 0.832 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000369698992 489266421 /nfs/dbraw/zinc/26/64/21/489266421.db2.gz ZKDNEYQTRRRIPI-HNNXBMFYSA-N 1 3 364.494 1.162 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C1 ZINC000570514543 491246284 /nfs/dbraw/zinc/24/62/84/491246284.db2.gz PTXMNARIWMUHMP-HNNXBMFYSA-N 1 3 357.524 0.682 20 0 FCADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000370075990 489314090 /nfs/dbraw/zinc/31/40/90/489314090.db2.gz CWOKLWAJEMOTLA-AEFFLSMTSA-N 1 3 368.522 0.992 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1=O ZINC000370473935 489364462 /nfs/dbraw/zinc/36/44/62/489364462.db2.gz TZKRMOOWAFNNJU-BURFUSLBSA-N 1 3 362.518 0.918 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1=O ZINC000370473935 489364463 /nfs/dbraw/zinc/36/44/63/489364463.db2.gz TZKRMOOWAFNNJU-BURFUSLBSA-N 1 3 362.518 0.918 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000371021152 489438976 /nfs/dbraw/zinc/43/89/76/489438976.db2.gz XQHUVNWAPVDDRL-SJORKVTESA-N 1 3 353.511 0.129 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371021152 489438980 /nfs/dbraw/zinc/43/89/80/489438980.db2.gz XQHUVNWAPVDDRL-SJORKVTESA-N 1 3 353.511 0.129 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)[C@H](C)C1 ZINC000371342873 489478901 /nfs/dbraw/zinc/47/89/01/489478901.db2.gz ZYFOBFOIBFWCDF-FGTMMUONSA-N 1 3 352.523 0.630 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)[C@H](C)C1 ZINC000371342873 489478902 /nfs/dbraw/zinc/47/89/02/489478902.db2.gz ZYFOBFOIBFWCDF-FGTMMUONSA-N 1 3 352.523 0.630 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371349614 489479151 /nfs/dbraw/zinc/47/91/51/489479151.db2.gz KORBPZVBLSVJQH-UHFFFAOYSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000371558158 489488249 /nfs/dbraw/zinc/48/82/49/489488249.db2.gz PIELFGUUAUCHCW-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CCN1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000371558158 489488250 /nfs/dbraw/zinc/48/82/50/489488250.db2.gz PIELFGUUAUCHCW-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000423146351 489497052 /nfs/dbraw/zinc/49/70/52/489497052.db2.gz AHXVXFFLKHJGAN-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423154351 489497438 /nfs/dbraw/zinc/49/74/38/489497438.db2.gz OTPNSXLBTCAGLA-KSZLIROESA-N 1 3 362.518 0.921 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000423163320 489498382 /nfs/dbraw/zinc/49/83/82/489498382.db2.gz MOZZKHLQOCIATO-KRWDZBQOSA-N 1 3 361.490 0.572 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000423158836 489498407 /nfs/dbraw/zinc/49/84/07/489498407.db2.gz DOBDISASQDWEKE-CVEARBPZSA-N 1 3 362.474 0.546 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000423167603 489498651 /nfs/dbraw/zinc/49/86/51/489498651.db2.gz SNJSOCABNLBAEQ-UHFFFAOYSA-N 1 3 352.454 0.784 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCCc2ccccc2)CCN(C)C)C1 ZINC000423200510 489501972 /nfs/dbraw/zinc/50/19/72/489501972.db2.gz MGUZJTWOXVTQRI-SFHVURJKSA-N 1 3 360.502 0.830 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000555612354 491259320 /nfs/dbraw/zinc/25/93/20/491259320.db2.gz WZFZOQHSONXORX-UHFFFAOYSA-N 1 3 373.501 0.778 20 0 FCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423205409 489502766 /nfs/dbraw/zinc/50/27/66/489502766.db2.gz VMGZKJGDGGREIP-GOSISDBHSA-N 1 3 360.502 0.817 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423207522 489502974 /nfs/dbraw/zinc/50/29/74/489502974.db2.gz RTNUGPDRTOPIFG-INMHGKMJSA-N 1 3 366.506 0.284 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423211273 489503408 /nfs/dbraw/zinc/50/34/08/489503408.db2.gz KSJKKFFTGDYPSN-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423262286 489508435 /nfs/dbraw/zinc/50/84/35/489508435.db2.gz UXOQPZDQQUSLCH-HDICACEKSA-N 1 3 358.486 0.563 20 0 FCADHO CC[NH+]1CCC(CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000563641145 491260595 /nfs/dbraw/zinc/26/05/95/491260595.db2.gz GWKODTMJOGGQBI-UHFFFAOYSA-N 1 3 367.538 0.960 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000372099644 489544567 /nfs/dbraw/zinc/54/45/67/489544567.db2.gz XFCXVWKSMUQHIF-IBGZPJMESA-N 1 3 362.449 0.830 20 0 FCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415724337 489546385 /nfs/dbraw/zinc/54/63/85/489546385.db2.gz KTXKHOITYUNGGU-KRWDZBQOSA-N 1 3 359.474 0.193 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)CC1 ZINC000415761148 489550810 /nfs/dbraw/zinc/55/08/10/489550810.db2.gz MWHDOKVEUDECNT-PIIMJCKOSA-N 1 3 371.485 0.490 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000415893266 489563935 /nfs/dbraw/zinc/56/39/35/489563935.db2.gz MTDSAWBDOKLINR-HUUCEWRRSA-N 1 3 360.458 0.633 20 0 FCADHO COc1nc(NCCN2CCCCC2)nc(NCC[NH+]2CCCCC2)n1 ZINC000426553200 489574869 /nfs/dbraw/zinc/57/48/69/489574869.db2.gz BZLHMBHZZUDGHL-UHFFFAOYSA-N 1 3 363.510 0.520 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000563704969 491264138 /nfs/dbraw/zinc/26/41/38/491264138.db2.gz APSMIMRVOXIHCE-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427069779 489593212 /nfs/dbraw/zinc/59/32/12/489593212.db2.gz NQRWZRPMVHMBTJ-UHFFFAOYSA-N 1 3 364.494 0.936 20 0 FCADHO CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000555697859 491266650 /nfs/dbraw/zinc/26/66/50/491266650.db2.gz AWKCDSCTVIJDQU-UHFFFAOYSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000416810611 489629984 /nfs/dbraw/zinc/62/99/84/489629984.db2.gz QYGVCYUVYXYTQM-SJORKVTESA-N 1 3 361.490 0.786 20 0 FCADHO CC1CCN(CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417008077 489638015 /nfs/dbraw/zinc/63/80/15/489638015.db2.gz ICUQVMDKEIZVMI-INIZCTEOSA-N 1 3 353.511 0.747 20 0 FCADHO CN1CCN(CCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000417013657 489638518 /nfs/dbraw/zinc/63/85/18/489638518.db2.gz CXXPNGUXPGVCNO-HCXYKTFWSA-N 1 3 357.502 0.882 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417013818 489638671 /nfs/dbraw/zinc/63/86/71/489638671.db2.gz CTVWGIHMYAJPCX-LESCRADOSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417013817 489638753 /nfs/dbraw/zinc/63/87/53/489638753.db2.gz CTVWGIHMYAJPCX-KYJSFNMBSA-N 1 3 365.522 0.807 20 0 FCADHO COc1ccc(CN2CCC(CNC(=O)N(CC[NH3+])CCO)CC2)cc1 ZINC000417319090 489648070 /nfs/dbraw/zinc/64/80/70/489648070.db2.gz BDRDBDVPVIIBBE-UHFFFAOYSA-N 1 3 364.490 0.870 20 0 FCADHO C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCC(C)CC1 ZINC000417312623 489648290 /nfs/dbraw/zinc/64/82/90/489648290.db2.gz NXYBSWLUVUBRRW-JKSUJKDBSA-N 1 3 353.511 0.603 20 0 FCADHO C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)CN1 ZINC000417363657 489649629 /nfs/dbraw/zinc/64/96/29/489649629.db2.gz GIRLMUTVEBCSSN-SJORKVTESA-N 1 3 360.506 0.986 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417355275 489649852 /nfs/dbraw/zinc/64/98/52/489649852.db2.gz DFOZMZGYRWJHFL-MRXNPFEDSA-N 1 3 350.463 0.886 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417378731 489650347 /nfs/dbraw/zinc/65/03/47/489650347.db2.gz FLONJCJIWGZKDB-ROUUACIJSA-N 1 3 372.517 0.845 20 0 FCADHO C[NH2+][C@H]1CCCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417379118 489650450 /nfs/dbraw/zinc/65/04/50/489650450.db2.gz FYAQKDBRXMVVJO-KRWDZBQOSA-N 1 3 360.506 0.987 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417430599 489652375 /nfs/dbraw/zinc/65/23/75/489652375.db2.gz PNORHNRMBHCQRU-OWCLPIDISA-N 1 3 351.495 0.465 20 0 FCADHO C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)N1CCO ZINC000457629970 489652827 /nfs/dbraw/zinc/65/28/27/489652827.db2.gz CBMSYMLIOSUKCT-IYBDPMFKSA-N 1 3 355.527 0.109 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417430600 489652890 /nfs/dbraw/zinc/65/28/90/489652890.db2.gz PNORHNRMBHCQRU-PMPSAXMXSA-N 1 3 351.495 0.465 20 0 FCADHO CCCN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000417427975 489652961 /nfs/dbraw/zinc/65/29/61/489652961.db2.gz KBOHSVGPCLBLBE-HZPDHXFCSA-N 1 3 353.511 0.713 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417582424 489659162 /nfs/dbraw/zinc/65/91/62/489659162.db2.gz IAUWCVFCIGADGA-HZPDHXFCSA-N 1 3 353.511 0.890 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417864013 489669113 /nfs/dbraw/zinc/66/91/13/489669113.db2.gz AWQRFEUMTISDOG-FVQBIDKESA-N 1 3 351.495 0.498 20 0 FCADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404020 489681259 /nfs/dbraw/zinc/68/12/59/489681259.db2.gz AXTWBOFJGANIIY-JKSUJKDBSA-N 1 3 365.522 0.700 20 0 FCADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404020 489681260 /nfs/dbraw/zinc/68/12/60/489681260.db2.gz AXTWBOFJGANIIY-JKSUJKDBSA-N 1 3 365.522 0.700 20 0 FCADHO C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404015 489681337 /nfs/dbraw/zinc/68/13/37/489681337.db2.gz AXTWBOFJGANIIY-CVEARBPZSA-N 1 3 365.522 0.700 20 0 FCADHO C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCN(C2CC2)C1 ZINC000458404015 489681338 /nfs/dbraw/zinc/68/13/38/489681338.db2.gz AXTWBOFJGANIIY-CVEARBPZSA-N 1 3 365.522 0.700 20 0 FCADHO C[NH+](C)CCOCCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000458704064 489696924 /nfs/dbraw/zinc/69/69/24/489696924.db2.gz WVLYHLSHOUKLJK-GOSISDBHSA-N 1 3 364.490 0.283 20 0 FCADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418483390 489701722 /nfs/dbraw/zinc/70/17/22/489701722.db2.gz CDDCJSZXIWYGKP-QZTJIDSGSA-N 1 3 364.490 0.405 20 0 FCADHO CSC1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CC[NH+](C)CC1 ZINC000458788622 489703117 /nfs/dbraw/zinc/70/31/17/489703117.db2.gz LZJBEWDSHOKEQT-OAHLLOKOSA-N 1 3 358.552 0.960 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000418549659 489706302 /nfs/dbraw/zinc/70/63/02/489706302.db2.gz GIDPSKSWKIXDPW-KRWDZBQOSA-N 1 3 359.474 0.819 20 0 FCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418559293 489707115 /nfs/dbraw/zinc/70/71/15/489707115.db2.gz CGUAQMJLROPLBY-ZENOOKHLSA-N 1 3 354.401 0.698 20 0 FCADHO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000418613890 489710408 /nfs/dbraw/zinc/71/04/08/489710408.db2.gz GBRUAJGNPULYAT-MRXNPFEDSA-N 1 3 351.495 0.454 20 0 FCADHO CCN(CCO)CCNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000469659592 489719051 /nfs/dbraw/zinc/71/90/51/489719051.db2.gz HGAUCPJUFMVOMF-UHFFFAOYSA-N 1 3 352.483 0.894 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418750713 489722055 /nfs/dbraw/zinc/72/20/55/489722055.db2.gz PDWKQZWORGUXFB-MRXNPFEDSA-N 1 3 353.511 0.714 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459379926 489730228 /nfs/dbraw/zinc/73/02/28/489730228.db2.gz YOHDUDXEHNVEEA-HNNXBMFYSA-N 1 3 354.495 0.997 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459379926 489730233 /nfs/dbraw/zinc/73/02/33/489730233.db2.gz YOHDUDXEHNVEEA-HNNXBMFYSA-N 1 3 354.495 0.997 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000418825642 489741565 /nfs/dbraw/zinc/74/15/65/489741565.db2.gz AKWDIPPUQADPBT-OKYOBFRVSA-N 1 3 372.513 0.780 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836082 489746844 /nfs/dbraw/zinc/74/68/44/489746844.db2.gz PAUMOEIZEJCJJK-KGLIPLIRSA-N 1 3 354.495 0.596 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)([NH+](C)C)C1 ZINC000563900069 491276243 /nfs/dbraw/zinc/27/62/43/491276243.db2.gz ORJHSLRCBUHQQW-BSXFFOKHSA-N 1 3 351.495 0.450 20 0 FCADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430576766 489748049 /nfs/dbraw/zinc/74/80/49/489748049.db2.gz XOGLKEBPEHFTDP-QWHCGFSZSA-N 1 3 354.476 0.722 20 0 FCADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430600326 489750203 /nfs/dbraw/zinc/75/02/03/489750203.db2.gz HLVXVYYIGDZFCE-ZFWWWQNUSA-N 1 3 364.515 0.808 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000418848349 489754625 /nfs/dbraw/zinc/75/46/25/489754625.db2.gz LHEGOOIXBLBXSZ-NXHRZFHOSA-N 1 3 360.502 0.719 20 0 FCADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430620866 489756088 /nfs/dbraw/zinc/75/60/88/489756088.db2.gz IKIQKWQGZQREMQ-HOCLYGCPSA-N 1 3 364.465 0.960 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000418855426 489759229 /nfs/dbraw/zinc/75/92/29/489759229.db2.gz DHCQIIKSGONBEP-CVEARBPZSA-N 1 3 368.522 0.579 20 0 FCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]3CNCCO3)CC2)CC1 ZINC000418866526 489764630 /nfs/dbraw/zinc/76/46/30/489764630.db2.gz NEYJJDOLTDQQBB-JCYILVPMSA-N 1 3 366.506 0.250 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000418874527 489769112 /nfs/dbraw/zinc/76/91/12/489769112.db2.gz ZYVWTTYIAWOXNA-HOTGVXAUSA-N 1 3 368.522 0.498 20 0 FCADHO CCCN(C(=O)C(=O)NCCCN1CCCO[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000418875037 489770018 /nfs/dbraw/zinc/77/00/18/489770018.db2.gz CLGOKYFARRKBAG-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418877446 489771527 /nfs/dbraw/zinc/77/15/27/489771527.db2.gz IYEKTAUQENFMGN-BZUAXINKSA-N 1 3 354.495 0.332 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418879949 489771921 /nfs/dbraw/zinc/77/19/21/489771921.db2.gz OFWMGQWICXTCLM-JKSUJKDBSA-N 1 3 356.511 0.435 20 0 FCADHO O=C(COC1C[NH2+]C1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000431004833 489784173 /nfs/dbraw/zinc/78/41/73/489784173.db2.gz KMFYFQBKDCSEGR-UHFFFAOYSA-N 1 3 360.502 0.689 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](CN)C1 ZINC000418906895 489785225 /nfs/dbraw/zinc/78/52/25/489785225.db2.gz WUYCSXLSPOCGSU-JKSUJKDBSA-N 1 3 368.522 0.722 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459910122 489788718 /nfs/dbraw/zinc/78/87/18/489788718.db2.gz SDSLLEKOBZVATO-QGZVFWFLSA-N 1 3 352.523 0.977 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](CN)C1 ZINC000418939049 489797599 /nfs/dbraw/zinc/79/75/99/489797599.db2.gz QJHWBFRAMSTTIX-DLBZAZTESA-N 1 3 368.522 0.724 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N(C)Cc1ccccc1 ZINC000418955611 489803808 /nfs/dbraw/zinc/80/38/08/489803808.db2.gz XZJMDZNRMSLZHW-NJAFHUGGSA-N 1 3 358.486 0.691 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000459997184 489813143 /nfs/dbraw/zinc/81/31/43/489813143.db2.gz SIZNQBWBISPAKX-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000459997184 489813149 /nfs/dbraw/zinc/81/31/49/489813149.db2.gz SIZNQBWBISPAKX-DLBZAZTESA-N 1 3 350.507 0.873 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](CN)C1 ZINC000419000398 489813199 /nfs/dbraw/zinc/81/31/99/489813199.db2.gz OHXOTGWVLLEQMT-HOTGVXAUSA-N 1 3 354.495 0.189 20 0 FCADHO CN(CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000419003656 489814446 /nfs/dbraw/zinc/81/44/46/489814446.db2.gz QQSVDVMTLQIPOQ-ZWKOTPCHSA-N 1 3 358.486 0.693 20 0 FCADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419009440 489816327 /nfs/dbraw/zinc/81/63/27/489816327.db2.gz NFMZAFLGOQEQOB-KRWDZBQOSA-N 1 3 362.474 0.249 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000563976882 491281410 /nfs/dbraw/zinc/28/14/10/491281410.db2.gz PXRHWNAMEVABTM-RKTXRCNFSA-N 1 3 359.474 0.631 20 0 FCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419031129 489825597 /nfs/dbraw/zinc/82/55/97/489825597.db2.gz ILDHVWMERZVYMX-HNNXBMFYSA-N 1 3 368.547 0.804 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419032479 489826299 /nfs/dbraw/zinc/82/62/99/489826299.db2.gz WSLLEYCRXWPPQK-YVSFHVDLSA-N 1 3 352.523 0.975 20 0 FCADHO CC[NH2+]CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419032627 489826392 /nfs/dbraw/zinc/82/63/92/489826392.db2.gz KDKCFVQMVXCLSF-UHFFFAOYSA-N 1 3 356.536 0.580 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419031979 489826478 /nfs/dbraw/zinc/82/64/78/489826478.db2.gz VXBHULWHPPHBRB-CYJAXWMASA-N 1 3 352.523 0.975 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419034032 489827048 /nfs/dbraw/zinc/82/70/48/489827048.db2.gz YYIVQSXTFXNRSP-LSDHHAIUSA-N 1 3 354.495 0.108 20 0 FCADHO O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419037013 489828549 /nfs/dbraw/zinc/82/85/49/489828549.db2.gz QCZXJTCYOUMSTH-AWEZNQCLSA-N 1 3 354.520 0.332 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419037523 489829446 /nfs/dbraw/zinc/82/94/46/489829446.db2.gz DCEMTFZFIPPXLN-NVXWUHKLSA-N 1 3 368.522 0.626 20 0 FCADHO C[C@H](C(=O)NCCCCN1CCN(CCO)CC1)[NH+]1CCCCCC1 ZINC000432523445 489845035 /nfs/dbraw/zinc/84/50/35/489845035.db2.gz NHHJYLUXLGCFFK-GOSISDBHSA-N 1 3 354.539 0.757 20 0 FCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419073857 489846308 /nfs/dbraw/zinc/84/63/08/489846308.db2.gz CXUKXUBKWHPTPE-PMPSAXMXSA-N 1 3 354.495 0.332 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000460253726 489858431 /nfs/dbraw/zinc/85/84/31/489858431.db2.gz JLGLEPHCJRNOEU-KRWDZBQOSA-N 1 3 356.559 0.147 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000460253726 489858433 /nfs/dbraw/zinc/85/84/33/489858433.db2.gz JLGLEPHCJRNOEU-KRWDZBQOSA-N 1 3 356.559 0.147 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000460253726 489858436 /nfs/dbraw/zinc/85/84/36/489858436.db2.gz JLGLEPHCJRNOEU-KRWDZBQOSA-N 1 3 356.559 0.147 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(F)cc1F ZINC000555941983 491284735 /nfs/dbraw/zinc/28/47/35/491284735.db2.gz KIFVUFHCMDXEMR-UHFFFAOYSA-N 1 3 356.417 0.533 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993326 489875892 /nfs/dbraw/zinc/87/58/92/489875892.db2.gz FBRGOAMOFKOWJA-NXHRZFHOSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993326 489875897 /nfs/dbraw/zinc/87/58/97/489875897.db2.gz FBRGOAMOFKOWJA-NXHRZFHOSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000419993317 489875989 /nfs/dbraw/zinc/87/59/89/489875989.db2.gz FBRGOAMOFKOWJA-BPQIPLTHSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000419993317 489875996 /nfs/dbraw/zinc/87/59/96/489875996.db2.gz FBRGOAMOFKOWJA-BPQIPLTHSA-N 1 3 358.486 0.963 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000420008658 489879685 /nfs/dbraw/zinc/87/96/85/489879685.db2.gz DNGWVHBMILYCCH-INIZCTEOSA-N 1 3 352.454 0.815 20 0 FCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420021825 489883456 /nfs/dbraw/zinc/88/34/56/489883456.db2.gz IRZFSHQSHQYTIK-KKUMJFAQSA-N 1 3 354.495 0.188 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420023538 489883921 /nfs/dbraw/zinc/88/39/21/489883921.db2.gz APYFMTBDZPXELU-RRFJBIMHSA-N 1 3 354.495 0.310 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420023538 489883925 /nfs/dbraw/zinc/88/39/25/489883925.db2.gz APYFMTBDZPXELU-RRFJBIMHSA-N 1 3 354.495 0.310 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420022941 489884285 /nfs/dbraw/zinc/88/42/85/489884285.db2.gz AGFWBYJSAQUYAS-MRXNPFEDSA-N 1 3 350.438 0.569 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420031973 489887432 /nfs/dbraw/zinc/88/74/32/489887432.db2.gz HOHWXTJHDKRHIW-RRFJBIMHSA-N 1 3 352.479 0.160 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420068733 489902712 /nfs/dbraw/zinc/90/27/12/489902712.db2.gz VBLQJQSQZLXYDY-MRXNPFEDSA-N 1 3 350.438 0.569 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420075478 489904568 /nfs/dbraw/zinc/90/45/68/489904568.db2.gz SPEYWCPZMZQPMT-INIZCTEOSA-N 1 3 350.463 0.804 20 0 FCADHO CN(Cc1cccc(C[N@H+](C)[C@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000461387884 489907104 /nfs/dbraw/zinc/90/71/04/489907104.db2.gz SYTWFLOAQFOUSX-PMACEKPBSA-N 1 3 364.486 0.853 20 0 FCADHO CN(Cc1cccc(C[N@@H+](C)[C@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000461387884 489907106 /nfs/dbraw/zinc/90/71/06/489907106.db2.gz SYTWFLOAQFOUSX-PMACEKPBSA-N 1 3 364.486 0.853 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)o1 ZINC000420101710 489912063 /nfs/dbraw/zinc/91/20/63/489912063.db2.gz MCTPIMWPRBWDCW-IBGZPJMESA-N 1 3 364.490 0.984 20 0 FCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420112358 489916684 /nfs/dbraw/zinc/91/66/84/489916684.db2.gz ATUPKFPMJDTVDJ-HZPDHXFCSA-N 1 3 367.538 0.247 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC[NH2+]1 ZINC000420132891 489924383 /nfs/dbraw/zinc/92/43/83/489924383.db2.gz SQPXQLRQPJCLBP-HIFRSBDPSA-N 1 3 352.504 0.895 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)o1 ZINC000420141249 489928454 /nfs/dbraw/zinc/92/84/54/489928454.db2.gz ZBSPHNOFSFWSLL-HIFRSBDPSA-N 1 3 350.463 0.735 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000420187461 489944980 /nfs/dbraw/zinc/94/49/80/489944980.db2.gz RJQYUFNLNALNFN-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000420187461 489944985 /nfs/dbraw/zinc/94/49/85/489944985.db2.gz RJQYUFNLNALNFN-DLBZAZTESA-N 1 3 368.522 0.452 20 0 FCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)C2)CC1 ZINC000420188189 489945794 /nfs/dbraw/zinc/94/57/94/489945794.db2.gz CLANSDGSCFBPKV-DLBZAZTESA-N 1 3 366.506 0.062 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420197099 489948591 /nfs/dbraw/zinc/94/85/91/489948591.db2.gz LGEGIWSBHKPXRL-PBHICJAKSA-N 1 3 364.465 0.960 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420198978 489949199 /nfs/dbraw/zinc/94/91/99/489949199.db2.gz CSGQMSXAJSGWSI-HRCADAONSA-N 1 3 362.474 0.674 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420198981 489949661 /nfs/dbraw/zinc/94/96/61/489949661.db2.gz CSGQMSXAJSGWSI-OWCLPIDISA-N 1 3 362.474 0.674 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000420411377 489973678 /nfs/dbraw/zinc/97/36/78/489973678.db2.gz BVVQWIHKXHJIJX-WFASDCNBSA-N 1 3 357.524 0.728 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420447386 489978082 /nfs/dbraw/zinc/97/80/82/489978082.db2.gz IUHBFVQNECFBFJ-WFASDCNBSA-N 1 3 357.524 0.809 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477639157 489979952 /nfs/dbraw/zinc/97/99/52/489979952.db2.gz DVWDIJHYJAIKGX-INIZCTEOSA-N 1 3 368.522 0.404 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477639157 489979955 /nfs/dbraw/zinc/97/99/55/489979955.db2.gz DVWDIJHYJAIKGX-INIZCTEOSA-N 1 3 368.522 0.404 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973307 490034616 /nfs/dbraw/zinc/03/46/16/490034616.db2.gz YUWQNSPDXAHITC-HUUCEWRRSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nncn1C ZINC000463973307 490034620 /nfs/dbraw/zinc/03/46/20/490034620.db2.gz YUWQNSPDXAHITC-HUUCEWRRSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973306 490035017 /nfs/dbraw/zinc/03/50/17/490035017.db2.gz YUWQNSPDXAHITC-GJZGRUSLSA-N 1 3 351.499 0.934 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nncn1C ZINC000463973306 490035021 /nfs/dbraw/zinc/03/50/21/490035021.db2.gz YUWQNSPDXAHITC-GJZGRUSLSA-N 1 3 351.499 0.934 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C1 ZINC000478794116 490037689 /nfs/dbraw/zinc/03/76/89/490037689.db2.gz HGYZPKYFMUDJLO-JKSUJKDBSA-N 1 3 355.527 0.109 20 0 FCADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)N(C)CC(=O)OC)CC2)CC1 ZINC000420977404 490038806 /nfs/dbraw/zinc/03/88/06/490038806.db2.gz IBEUSDIYOLLVLM-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO CCN1CCC([N@H+]2CCCN(CCC(=O)N(C)CC(=O)OC)CC2)CC1 ZINC000420977404 490038808 /nfs/dbraw/zinc/03/88/08/490038808.db2.gz IBEUSDIYOLLVLM-UHFFFAOYSA-N 1 3 368.522 0.500 20 0 FCADHO CC[NH+](CC)CCOC1CCN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000465035573 490075974 /nfs/dbraw/zinc/07/59/74/490075974.db2.gz LTOJIUZEMIOYRG-QGZVFWFLSA-N 1 3 368.522 0.498 20 0 FCADHO CC[NH+](CC)CCOC1CCN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000465035572 490076353 /nfs/dbraw/zinc/07/63/53/490076353.db2.gz LTOJIUZEMIOYRG-KRWDZBQOSA-N 1 3 368.522 0.498 20 0 FCADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000571289398 491298338 /nfs/dbraw/zinc/29/83/38/491298338.db2.gz ABOVFFAXAPSWJZ-ICSRJNTNSA-N 1 3 361.534 0.886 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)o1 ZINC000571394917 491304510 /nfs/dbraw/zinc/30/45/10/491304510.db2.gz YRJDUNMGYYEBNO-OAHLLOKOSA-N 1 3 350.463 0.676 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)COCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704359 490100132 /nfs/dbraw/zinc/10/01/32/490100132.db2.gz ONVJOJNPFVUNIT-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)COCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421704359 490100136 /nfs/dbraw/zinc/10/01/36/490100136.db2.gz ONVJOJNPFVUNIT-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCSC1 ZINC000421726793 490101996 /nfs/dbraw/zinc/10/19/96/490101996.db2.gz RYMCWCLGZSDDLA-KVULBXGLSA-N 1 3 356.536 0.529 20 0 FCADHO NS(=O)(=O)c1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000479685155 490114271 /nfs/dbraw/zinc/11/42/71/490114271.db2.gz JKLNWAPDLITXEP-UHFFFAOYSA-N 1 3 352.504 0.846 20 0 FCADHO NS(=O)(=O)c1ccc(OCCN2CCC(OCCC[NH3+])CC2)cc1 ZINC000391671569 490144955 /nfs/dbraw/zinc/14/49/55/490144955.db2.gz IBIQSVHNFZXMBK-UHFFFAOYSA-N 1 3 357.476 0.543 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927917 490152379 /nfs/dbraw/zinc/15/23/79/490152379.db2.gz GEXAJRVJUBBNBW-HNNXBMFYSA-N 1 3 367.494 0.193 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000465927917 490152384 /nfs/dbraw/zinc/15/23/84/490152384.db2.gz GEXAJRVJUBBNBW-HNNXBMFYSA-N 1 3 367.494 0.193 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)n1 ZINC000532997211 490155292 /nfs/dbraw/zinc/15/52/92/490155292.db2.gz KEJIKAVRGQNJJC-UHFFFAOYSA-N 1 3 364.494 0.716 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465960086 490158075 /nfs/dbraw/zinc/15/80/75/490158075.db2.gz SMLHFBSJVZNHJJ-INIZCTEOSA-N 1 3 355.527 0.803 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465960086 490158082 /nfs/dbraw/zinc/15/80/82/490158082.db2.gz SMLHFBSJVZNHJJ-INIZCTEOSA-N 1 3 355.527 0.803 20 0 FCADHO C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)CN1CCN(C)CC1 ZINC000466130779 490168404 /nfs/dbraw/zinc/16/84/04/490168404.db2.gz JBZHZGSLGLTKPC-ZWKOTPCHSA-N 1 3 369.554 0.262 20 0 FCADHO CC1CCN(CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000520980439 490210793 /nfs/dbraw/zinc/21/07/93/490210793.db2.gz FIXFYPVQDHTVQJ-UHFFFAOYSA-N 1 3 367.538 0.960 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603727 490215804 /nfs/dbraw/zinc/21/58/04/490215804.db2.gz APVUMJYAYKPYEQ-MJGOQNOKSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000480603727 490215810 /nfs/dbraw/zinc/21/58/10/490215810.db2.gz APVUMJYAYKPYEQ-MJGOQNOKSA-N 1 3 354.539 0.877 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000521070736 490221891 /nfs/dbraw/zinc/22/18/91/490221891.db2.gz GSCOBVDBKIHRMZ-RRFJBIMHSA-N 1 3 354.495 0.452 20 0 FCADHO CCc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000521650849 490285615 /nfs/dbraw/zinc/28/56/15/490285615.db2.gz FMSUJXRWPXSFDW-UHFFFAOYSA-N 1 3 354.520 0.879 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000422426801 490311573 /nfs/dbraw/zinc/31/15/73/490311573.db2.gz BVIUHFZYOFQRQD-GOSISDBHSA-N 1 3 360.502 0.960 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000483433123 490316589 /nfs/dbraw/zinc/31/65/89/490316589.db2.gz XVOCNAQZPXQVKN-HZPDHXFCSA-N 1 3 368.522 0.545 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626683 491319433 /nfs/dbraw/zinc/31/94/33/491319433.db2.gz PTIVKCAAKRNEHB-MHORFTMASA-N 1 3 356.470 0.683 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000571626683 491319434 /nfs/dbraw/zinc/31/94/34/491319434.db2.gz PTIVKCAAKRNEHB-MHORFTMASA-N 1 3 356.470 0.683 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000422488434 490353531 /nfs/dbraw/zinc/35/35/31/490353531.db2.gz NBJQGEQTKHWOTB-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000422488434 490353534 /nfs/dbraw/zinc/35/35/34/490353534.db2.gz NBJQGEQTKHWOTB-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522309425 490370612 /nfs/dbraw/zinc/37/06/12/490370612.db2.gz NCUGTBZCLNSMNQ-HOCLYGCPSA-N 1 3 351.495 0.465 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522309425 490370619 /nfs/dbraw/zinc/37/06/19/490370619.db2.gz NCUGTBZCLNSMNQ-HOCLYGCPSA-N 1 3 351.495 0.465 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000571690903 491323428 /nfs/dbraw/zinc/32/34/28/491323428.db2.gz IRNLLSNHKCZQNP-INIZCTEOSA-N 1 3 353.511 0.700 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000509485794 490432076 /nfs/dbraw/zinc/43/20/76/490432076.db2.gz CEGGIYGOIMEQOA-INIZCTEOSA-N 1 3 355.527 0.912 20 0 FCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535007804 490434755 /nfs/dbraw/zinc/43/47/55/490434755.db2.gz NMLIFYNPRMNPIL-QRVBRYPASA-N 1 3 363.550 0.393 20 0 FCADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571745544 491326596 /nfs/dbraw/zinc/32/65/96/491326596.db2.gz ZZFJOSNXTQHTLJ-RBUKOAKNSA-N 1 3 357.502 0.950 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804354 491330516 /nfs/dbraw/zinc/33/05/16/491330516.db2.gz OMXZTDSTRXFUMH-RDJZCZTQSA-N 1 3 350.507 0.633 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCC1 ZINC000500472933 490521836 /nfs/dbraw/zinc/52/18/36/490521836.db2.gz YKQQBWNZJOUPMY-UHFFFAOYSA-N 1 3 368.522 0.546 20 0 FCADHO COc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000564894701 491333839 /nfs/dbraw/zinc/33/38/39/491333839.db2.gz PYXUCWDWBLFVSA-ZWKOTPCHSA-N 1 3 374.485 0.817 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423058769 490531359 /nfs/dbraw/zinc/53/13/59/490531359.db2.gz DBFSJMDBSCTCHT-SJORKVTESA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000485511011 490537129 /nfs/dbraw/zinc/53/71/29/490537129.db2.gz XVKFHAOQTIFKRF-UHFFFAOYSA-N 1 3 354.495 0.202 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000524465282 490540082 /nfs/dbraw/zinc/54/00/82/490540082.db2.gz QBQQGQKXUSWIKJ-OAHLLOKOSA-N 1 3 351.495 0.465 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541822 490541257 /nfs/dbraw/zinc/54/12/57/490541257.db2.gz ZOXADSKHXSDUHD-KRWDZBQOSA-N 1 3 358.486 0.835 20 0 FCADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000485541822 490541262 /nfs/dbraw/zinc/54/12/62/490541262.db2.gz ZOXADSKHXSDUHD-KRWDZBQOSA-N 1 3 358.486 0.835 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CC[C@H](C)C2)CC1=O ZINC000524775071 490559068 /nfs/dbraw/zinc/55/90/68/490559068.db2.gz OPVKVPMXPHTFRL-YESZJQIVSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CC[C@H](C)C2)CC1=O ZINC000524775071 490559073 /nfs/dbraw/zinc/55/90/73/490559073.db2.gz OPVKVPMXPHTFRL-YESZJQIVSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H](C)O1 ZINC000485805222 490560511 /nfs/dbraw/zinc/56/05/11/490560511.db2.gz LBWMBHMRYFOBGF-OAGGEKHMSA-N 1 3 364.494 0.822 20 0 FCADHO CCN1CCN(CCCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485819467 490561261 /nfs/dbraw/zinc/56/12/61/490561261.db2.gz MMOWAZLHBNNLSF-MRXNPFEDSA-N 1 3 363.510 0.350 20 0 FCADHO C[C@@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000536233601 490563729 /nfs/dbraw/zinc/56/37/29/490563729.db2.gz VNLZRBQZXSVHMZ-KRWDZBQOSA-N 1 3 368.570 0.195 20 0 FCADHO [NH3+]Cc1ccc(CNC(=O)NCC(=O)NCCN2CCCCCC2)cc1 ZINC000564935614 491338306 /nfs/dbraw/zinc/33/83/06/491338306.db2.gz FEBBMSIZVHTQSR-UHFFFAOYSA-N 1 3 361.490 0.937 20 0 FCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000549785829 490604286 /nfs/dbraw/zinc/60/42/86/490604286.db2.gz PRWJYJPVHDSTRU-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000549874966 490613411 /nfs/dbraw/zinc/61/34/11/490613411.db2.gz XHFQHDLDZVLASK-UHFFFAOYSA-N 1 3 356.511 0.448 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000550003181 490619122 /nfs/dbraw/zinc/61/91/22/490619122.db2.gz WIPZESXVLKTWOI-MRXNPFEDSA-N 1 3 368.522 0.594 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1N(C)C ZINC000501632857 490628080 /nfs/dbraw/zinc/62/80/80/490628080.db2.gz BJDKZQFWKXDWBJ-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1N(C)C ZINC000501632857 490628088 /nfs/dbraw/zinc/62/80/88/490628088.db2.gz BJDKZQFWKXDWBJ-OIISXLGYSA-N 1 3 350.507 0.776 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000501645984 490630992 /nfs/dbraw/zinc/63/09/92/490630992.db2.gz MVKHMZJKRPNDNY-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000501645984 490631000 /nfs/dbraw/zinc/63/10/00/490631000.db2.gz MVKHMZJKRPNDNY-DLBZAZTESA-N 1 3 350.507 0.920 20 0 FCADHO CO[C@@H]1CCN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)[C@@H](C[NH3+])C1 ZINC000564970564 491341726 /nfs/dbraw/zinc/34/17/26/491341726.db2.gz MCFCRPYVCPRTSI-HUUCEWRRSA-N 1 3 373.523 0.188 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550319225 490658977 /nfs/dbraw/zinc/65/89/77/490658977.db2.gz JIMXSINVOLKIOP-KRWDZBQOSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512216030 490665355 /nfs/dbraw/zinc/66/53/55/490665355.db2.gz ABDZBQBHXLNQJT-SFHVURJKSA-N 1 3 369.554 0.550 20 0 FCADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512216030 490665357 /nfs/dbraw/zinc/66/53/57/490665357.db2.gz ABDZBQBHXLNQJT-SFHVURJKSA-N 1 3 369.554 0.550 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074334 490674764 /nfs/dbraw/zinc/67/47/64/490674764.db2.gz JPLRWXWHVAMVFE-ZDUSSCGKSA-N 1 3 366.428 0.930 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)NCC(F)(F)F ZINC000502074334 490674766 /nfs/dbraw/zinc/67/47/66/490674766.db2.gz JPLRWXWHVAMVFE-ZDUSSCGKSA-N 1 3 366.428 0.930 20 0 FCADHO COCCCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487671687 490724575 /nfs/dbraw/zinc/72/45/75/490724575.db2.gz GRQDWROGCIWXCC-IRXDYDNUSA-N 1 3 356.511 0.632 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000557036109 491350117 /nfs/dbraw/zinc/35/01/17/491350117.db2.gz WINIZNYNZCWJMQ-HUUCEWRRSA-N 1 3 360.458 0.763 20 0 FCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000513483859 490734235 /nfs/dbraw/zinc/73/42/35/490734235.db2.gz LZNAEISOCFZKCW-HZPDHXFCSA-N 1 3 370.538 0.648 20 0 FCADHO CCOCCCN1CC[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210874 490766353 /nfs/dbraw/zinc/76/63/53/490766353.db2.gz KQYAPGASFDZWAW-ROUUACIJSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210874 490766356 /nfs/dbraw/zinc/76/63/56/490766356.db2.gz KQYAPGASFDZWAW-ROUUACIJSA-N 1 3 354.539 0.877 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000514210874 490766359 /nfs/dbraw/zinc/76/63/59/490766359.db2.gz KQYAPGASFDZWAW-ROUUACIJSA-N 1 3 354.539 0.877 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000557132707 491355848 /nfs/dbraw/zinc/35/58/48/491355848.db2.gz CMTMQMYSNUKZBF-INIZCTEOSA-N 1 3 356.511 0.260 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000557132707 491355850 /nfs/dbraw/zinc/35/58/50/491355850.db2.gz CMTMQMYSNUKZBF-INIZCTEOSA-N 1 3 356.511 0.260 20 0 FCADHO COC[C@@]1(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000514934632 490798613 /nfs/dbraw/zinc/79/86/13/490798613.db2.gz LSYQGMYQLLVEJT-OAQYLSRUSA-N 1 3 374.529 0.889 20 0 FCADHO CN1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](CN)C1 ZINC000557154451 491357041 /nfs/dbraw/zinc/35/70/41/491357041.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 1 3 359.518 0.835 20 0 FCADHO CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](CN)C1 ZINC000557154451 491357043 /nfs/dbraw/zinc/35/70/43/491357043.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 1 3 359.518 0.835 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000515118222 490809474 /nfs/dbraw/zinc/80/94/74/490809474.db2.gz GDUTWVUFDUVQKQ-UHFFFAOYSA-N 1 3 367.519 0.912 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C1 ZINC000504924137 490814642 /nfs/dbraw/zinc/81/46/42/490814642.db2.gz NKMWBDDELFQKHN-HXUWFJFHSA-N 1 3 371.485 0.908 20 0 FCADHO CCN1C[C@@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000565213962 491360731 /nfs/dbraw/zinc/36/07/31/491360731.db2.gz OSZTUEJWTYLNTI-INIZCTEOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783091 490839743 /nfs/dbraw/zinc/83/97/43/490839743.db2.gz ISBUYSDVJZSPHG-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000505783091 490839745 /nfs/dbraw/zinc/83/97/45/490839745.db2.gz ISBUYSDVJZSPHG-IAGOWNOFSA-N 1 3 368.522 0.356 20 0 FCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000516786820 490878202 /nfs/dbraw/zinc/87/82/02/490878202.db2.gz GWNLHDQRJPFNHR-OAGGEKHMSA-N 1 3 351.495 0.452 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000516786820 490878203 /nfs/dbraw/zinc/87/82/03/490878203.db2.gz GWNLHDQRJPFNHR-OAGGEKHMSA-N 1 3 351.495 0.452 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000565252988 491365792 /nfs/dbraw/zinc/36/57/92/491365792.db2.gz GNSUTALWUFPLPN-ZWKOTPCHSA-N 1 3 358.486 0.630 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000543750916 490944902 /nfs/dbraw/zinc/94/49/02/490944902.db2.gz ILAZHLACKKYJGD-MRXNPFEDSA-N 1 3 365.522 0.832 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543750916 490944904 /nfs/dbraw/zinc/94/49/04/490944904.db2.gz ILAZHLACKKYJGD-MRXNPFEDSA-N 1 3 365.522 0.832 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CCN2C1=O ZINC000518797897 490952363 /nfs/dbraw/zinc/95/23/63/490952363.db2.gz YGJZUMCIWSPKEF-SJORKVTESA-N 1 3 363.506 0.737 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000519438147 490972252 /nfs/dbraw/zinc/97/22/52/490972252.db2.gz LZBZMSOEINBSEQ-QGZVFWFLSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CN1C1CC1 ZINC000519567621 490977230 /nfs/dbraw/zinc/97/72/30/490977230.db2.gz MEQZICNPKFBIRX-BFYDXBDKSA-N 1 3 366.506 0.297 20 0 FCADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000519652803 490982356 /nfs/dbraw/zinc/98/23/56/490982356.db2.gz QTUGCATZNHQAQN-RDJZCZTQSA-N 1 3 359.474 0.373 20 0 FCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000532264886 490990030 /nfs/dbraw/zinc/99/00/30/490990030.db2.gz ZMXJSEQJRGMULI-ULQDDVLXSA-N 1 3 354.495 0.384 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000562451123 491166667 /nfs/dbraw/zinc/16/66/67/491166667.db2.gz IQJLFOXWAKIIKR-UHFFFAOYSA-N 1 3 359.478 1.284 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372206 491372662 /nfs/dbraw/zinc/37/26/62/491372662.db2.gz JADKKFSOYBGPCR-JKSUJKDBSA-N 1 3 351.495 0.596 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000565540226 491383481 /nfs/dbraw/zinc/38/34/81/491383481.db2.gz MTCRJODAVWWSGM-DOTOQJQBSA-N 1 3 374.485 0.390 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000565609151 491389101 /nfs/dbraw/zinc/38/91/01/491389101.db2.gz SJDAMAKAJLUGRF-OALUTQOASA-N 1 3 360.502 0.640 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000565615495 491389250 /nfs/dbraw/zinc/38/92/50/491389250.db2.gz FYHYJVCXVBQQDN-HZPDHXFCSA-N 1 3 356.511 0.450 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000565615495 491389252 /nfs/dbraw/zinc/38/92/52/491389252.db2.gz FYHYJVCXVBQQDN-HZPDHXFCSA-N 1 3 356.511 0.450 20 0 FCADHO COCCN(C)C[C@@H](O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754109 491397773 /nfs/dbraw/zinc/39/77/73/491397773.db2.gz VKLJMMNGRHGRII-CEXWTWQISA-N 1 3 356.555 0.416 20 0 FCADHO COCCN(C)C[C@@H](O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000565754109 491397775 /nfs/dbraw/zinc/39/77/75/491397775.db2.gz VKLJMMNGRHGRII-CEXWTWQISA-N 1 3 356.555 0.416 20 0 FCADHO Cc1csc([C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000557805331 491398887 /nfs/dbraw/zinc/39/88/87/491398887.db2.gz PZRJTIGOYFANQV-ZDUSSCGKSA-N 1 3 369.535 0.623 20 0 FCADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+](C)C ZINC000573221456 491420383 /nfs/dbraw/zinc/42/03/83/491420383.db2.gz DCEFHOYGWUSCGT-LAQRGFTBSA-N 1 3 373.501 0.940 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000573429787 491432753 /nfs/dbraw/zinc/43/27/53/491432753.db2.gz YVXOWZMMESGZJM-INIZCTEOSA-N 1 3 351.495 0.326 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000566396747 491440704 /nfs/dbraw/zinc/44/07/04/491440704.db2.gz BVQKIRDTTWWPMM-INIZCTEOSA-N 1 3 368.522 0.452 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000559319852 491464039 /nfs/dbraw/zinc/46/40/39/491464039.db2.gz CPSBQKRFRGTSCZ-UHFFFAOYSA-N 1 3 368.909 0.951 20 0 FCADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000566739716 491464411 /nfs/dbraw/zinc/46/44/11/491464411.db2.gz IJSZTSWTFIAVRI-HRCADAONSA-N 1 3 351.495 0.319 20 0 FCADHO COC[C@]1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000574036602 491470248 /nfs/dbraw/zinc/47/02/48/491470248.db2.gz RWRQHZYBDKOWRI-NRFANRHFSA-N 1 3 374.529 0.937 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@H](O)Cn3cccn3)c2)C1 ZINC000574150766 491477376 /nfs/dbraw/zinc/47/73/76/491477376.db2.gz GAPROAOESGNZDY-OALUTQOASA-N 1 3 371.485 0.731 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@H](O)Cn3cccn3)c2)C1 ZINC000574150766 491477378 /nfs/dbraw/zinc/47/73/78/491477378.db2.gz GAPROAOESGNZDY-OALUTQOASA-N 1 3 371.485 0.731 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccccc1Cl ZINC000559584746 491482731 /nfs/dbraw/zinc/48/27/31/491482731.db2.gz FEZLEFKGERJSGX-UHFFFAOYSA-N 1 3 368.909 0.951 20 0 FCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000574328523 491489327 /nfs/dbraw/zinc/48/93/27/491489327.db2.gz RTVJTIKMPYGGTK-LJQANCHMSA-N 1 3 359.518 0.527 20 0 FCADHO CCC(CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCCC1 ZINC000567250580 491494752 /nfs/dbraw/zinc/49/47/52/491494752.db2.gz PKGMCOFXFBMHMS-ULQDDVLXSA-N 1 3 365.522 0.840 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000559868683 491506875 /nfs/dbraw/zinc/50/68/75/491506875.db2.gz TUQQWBPKODZGEE-QAPCUYQASA-N 1 3 368.547 0.484 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000567488053 491509370 /nfs/dbraw/zinc/50/93/70/491509370.db2.gz DNCJJRASMHPVFF-NXHRZFHOSA-N 1 3 373.501 0.850 20 0 FCADHO C[C@H](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000567488053 491509371 /nfs/dbraw/zinc/50/93/71/491509371.db2.gz DNCJJRASMHPVFF-NXHRZFHOSA-N 1 3 373.501 0.850 20 0 FCADHO C[C@@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C[NH+]1CCCCC1 ZINC000567529278 491512104 /nfs/dbraw/zinc/51/21/04/491512104.db2.gz LXHLNYATNWMCSX-YJBOKZPZSA-N 1 3 370.563 0.778 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560027867 491516533 /nfs/dbraw/zinc/51/65/33/491516533.db2.gz MOJZQRSGUUKVGD-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560027867 491516535 /nfs/dbraw/zinc/51/65/35/491516535.db2.gz MOJZQRSGUUKVGD-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO CO[C@@]1(C)C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000574792634 491520643 /nfs/dbraw/zinc/52/06/43/491520643.db2.gz BNJYEMSRZSUCLO-KDOFPFPSSA-N 1 3 356.511 0.258 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000575119132 491540219 /nfs/dbraw/zinc/54/02/19/491540219.db2.gz DZFORHCOKAODRD-FRQCXROJSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CCC(NC(=O)CN2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000567994181 491545695 /nfs/dbraw/zinc/54/56/95/491545695.db2.gz FOFQAZVTXGWVRP-UHFFFAOYSA-N 1 3 352.523 0.413 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1=O ZINC000560596236 491546599 /nfs/dbraw/zinc/54/65/99/491546599.db2.gz LRTVFGLTRCEACS-IRXDYDNUSA-N 1 3 368.522 0.546 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC12CCC2 ZINC000560637395 491548096 /nfs/dbraw/zinc/54/80/96/491548096.db2.gz DGLPTVCZTUZWBL-MRXNPFEDSA-N 1 3 352.523 0.977 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000575820482 491563341 /nfs/dbraw/zinc/56/33/41/491563341.db2.gz BVGVZORJGOYAEZ-BRWVUGGUSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000575820482 491563342 /nfs/dbraw/zinc/56/33/42/491563342.db2.gz BVGVZORJGOYAEZ-BRWVUGGUSA-N 1 3 366.506 0.347 20 0 FCADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000568287736 491566998 /nfs/dbraw/zinc/56/69/98/491566998.db2.gz IABVNEVCSSTKSI-IXDOHACOSA-N 1 3 359.474 0.763 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000575901177 491568889 /nfs/dbraw/zinc/56/88/89/491568889.db2.gz CSXKYXCBHZSLJK-HNNXBMFYSA-N 1 3 362.474 0.441 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000568373557 491572276 /nfs/dbraw/zinc/57/22/76/491572276.db2.gz FZMVBOXZEJVIJZ-QXSJWSMHSA-N 1 3 350.507 0.809 20 0 FCADHO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000576044287 491578007 /nfs/dbraw/zinc/57/80/07/491578007.db2.gz NZYGNCUDYKSAJE-KZNAEPCWSA-N 1 3 372.517 0.835 20 0 FCADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471842 491611728 /nfs/dbraw/zinc/61/17/28/491611728.db2.gz KUJYQFQLQZEKRY-OAHLLOKOSA-N 1 3 365.522 0.855 20 0 FCADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471842 491611730 /nfs/dbraw/zinc/61/17/30/491611730.db2.gz KUJYQFQLQZEKRY-OAHLLOKOSA-N 1 3 365.522 0.855 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CCN2C1=O ZINC000577412662 491620203 /nfs/dbraw/zinc/62/02/03/491620203.db2.gz VOUICTIBILAPNW-ALGCZIBLSA-N 1 3 361.490 0.093 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000561677331 491624902 /nfs/dbraw/zinc/62/49/02/491624902.db2.gz VQZILEQNDMPMLD-INIZCTEOSA-N 1 3 368.522 0.593 20 0 FCADHO NC(=O)NC(=O)CC[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000577485246 491625576 /nfs/dbraw/zinc/62/55/76/491625576.db2.gz PZBRBZOQASPIQH-UHFFFAOYSA-N 1 3 361.490 0.759 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)CCN2C1=O ZINC000569121095 491635604 /nfs/dbraw/zinc/63/56/04/491635604.db2.gz BWKDTRCMSQKNKL-KURKYZTESA-N 1 3 367.453 0.793 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000577672587 491641834 /nfs/dbraw/zinc/64/18/34/491641834.db2.gz XQKPTHMNPIOANN-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000577672587 491641835 /nfs/dbraw/zinc/64/18/35/491641835.db2.gz XQKPTHMNPIOANN-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[NH2+]CC1 ZINC000577753460 491649132 /nfs/dbraw/zinc/64/91/32/491649132.db2.gz HAKMVSNDGMJPDP-LSDHHAIUSA-N 1 3 351.472 0.107 20 0 FCADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576837920 491649187 /nfs/dbraw/zinc/64/91/87/491649187.db2.gz LPEJRUYSTMTROC-SWLSCSKDSA-N 1 3 356.426 0.878 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900450 491654735 /nfs/dbraw/zinc/65/47/35/491654735.db2.gz CXGVOWSDCZRWCO-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900450 491654738 /nfs/dbraw/zinc/65/47/38/491654738.db2.gz CXGVOWSDCZRWCO-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C(=O)NCCN(C)C)CC1 ZINC000569377214 491657322 /nfs/dbraw/zinc/65/73/22/491657322.db2.gz RJAUWNBLAGIYNK-OAHLLOKOSA-N 1 3 361.490 0.789 20 0 FCADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313961 491674476 /nfs/dbraw/zinc/67/44/76/491674476.db2.gz GXTHYDAFZRFJAI-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313961 491674477 /nfs/dbraw/zinc/67/44/77/491674477.db2.gz GXTHYDAFZRFJAI-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000578610393 491680737 /nfs/dbraw/zinc/68/07/37/491680737.db2.gz PFKCHLUHHYNIKD-NNXHMXCWSA-N 1 3 350.507 0.822 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000579118914 491691437 /nfs/dbraw/zinc/69/14/37/491691437.db2.gz FNCUXKWYMLMKMW-GOSISDBHSA-N 1 3 360.502 0.863 20 0 FCADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000579130154 491691666 /nfs/dbraw/zinc/69/16/66/491691666.db2.gz NJTNERQCIJHYGE-DLBZAZTESA-N 1 3 359.474 0.244 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579225388 491693403 /nfs/dbraw/zinc/69/34/03/491693403.db2.gz HDUZZOOCLVOTSC-HDICACEKSA-N 1 3 356.470 0.399 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579225388 491693404 /nfs/dbraw/zinc/69/34/04/491693404.db2.gz HDUZZOOCLVOTSC-HDICACEKSA-N 1 3 356.470 0.399 20 0 FCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231514 491693639 /nfs/dbraw/zinc/69/36/39/491693639.db2.gz JAUFKRYRHHSMSI-IBGZPJMESA-N 1 3 365.566 0.546 20 0 FCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000579231514 491693640 /nfs/dbraw/zinc/69/36/40/491693640.db2.gz JAUFKRYRHHSMSI-IBGZPJMESA-N 1 3 365.566 0.546 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)Cc2ccccc2C1 ZINC000579377863 491696906 /nfs/dbraw/zinc/69/69/06/491696906.db2.gz BQPZPRJFGMGPKD-IAGOWNOFSA-N 1 3 371.485 0.039 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000579461779 491698171 /nfs/dbraw/zinc/69/81/71/491698171.db2.gz SZFIBZBTVOXRFS-UHFFFAOYSA-N 1 3 368.522 0.676 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584793680 491714827 /nfs/dbraw/zinc/71/48/27/491714827.db2.gz RLQLKXCOAZFZOH-UBDQQSCGSA-N 1 3 371.485 0.460 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584793680 491714829 /nfs/dbraw/zinc/71/48/29/491714829.db2.gz RLQLKXCOAZFZOH-UBDQQSCGSA-N 1 3 371.485 0.460 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301672 491724799 /nfs/dbraw/zinc/72/47/99/491724799.db2.gz HBLRNPNANDPXDN-HOTGVXAUSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000580812445 491746803 /nfs/dbraw/zinc/74/68/03/491746803.db2.gz WTXNQNXATHYUBB-UXPWSPDFSA-N 1 3 374.529 0.762 20 0 FCADHO CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]2C1 ZINC000580925982 491751866 /nfs/dbraw/zinc/75/18/66/491751866.db2.gz RIPHLDYCPWDBNG-OKZBNKHCSA-N 1 3 367.538 0.768 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589219134 491757703 /nfs/dbraw/zinc/75/77/03/491757703.db2.gz BRYBOQRYNJHHQT-SJORKVTESA-N 1 3 365.522 0.809 20 0 FCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000581067256 491757952 /nfs/dbraw/zinc/75/79/52/491757952.db2.gz FRJHXKTUZWJSPV-IAGOWNOFSA-N 1 3 362.518 0.920 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000581080597 491758411 /nfs/dbraw/zinc/75/84/11/491758411.db2.gz WDOWSUFWCFEYAD-BZSNNMDCSA-N 1 3 357.539 0.889 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000581080597 491758413 /nfs/dbraw/zinc/75/84/13/491758413.db2.gz WDOWSUFWCFEYAD-BZSNNMDCSA-N 1 3 357.539 0.889 20 0 FCADHO CCN(C)C[C@H](O)C[NH+]1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000581080597 491758414 /nfs/dbraw/zinc/75/84/14/491758414.db2.gz WDOWSUFWCFEYAD-BZSNNMDCSA-N 1 3 357.539 0.889 20 0 FCADHO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000581448339 491773358 /nfs/dbraw/zinc/77/33/58/491773358.db2.gz OGFQACCSCFDZKR-JKSUJKDBSA-N 1 3 368.522 0.402 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000581613734 491779988 /nfs/dbraw/zinc/77/99/88/491779988.db2.gz UYLCJCLJGYUNPZ-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000581613734 491779989 /nfs/dbraw/zinc/77/99/89/491779989.db2.gz UYLCJCLJGYUNPZ-CVEARBPZSA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCN1CCCC1)C(=O)COCC(=O)N(C)CC[NH+]1CCCC1 ZINC000591801326 491823781 /nfs/dbraw/zinc/82/37/81/491823781.db2.gz WGKMHXAZBZQVCA-UHFFFAOYSA-N 1 3 354.495 0.111 20 0 FCADHO CCN1CCN(CCCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000582727301 491824317 /nfs/dbraw/zinc/82/43/17/491824317.db2.gz GOJXJUBWHVOKRB-GOSISDBHSA-N 1 3 362.522 0.955 20 0 FCADHO [NH3+]CCCCn1cc(C(=O)NCC2(N3CCCC3)CCOCC2)nn1 ZINC000582902288 491831160 /nfs/dbraw/zinc/83/11/60/491831160.db2.gz IJWZZGSVSFSBER-UHFFFAOYSA-N 1 3 350.467 0.392 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000583253365 491840810 /nfs/dbraw/zinc/84/08/10/491840810.db2.gz QOZMQHSSSYHGMH-ZIAGYGMSSA-N 1 3 354.495 0.548 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583253365 491840811 /nfs/dbraw/zinc/84/08/11/491840811.db2.gz QOZMQHSSSYHGMH-ZIAGYGMSSA-N 1 3 354.495 0.548 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000583312203 491841977 /nfs/dbraw/zinc/84/19/77/491841977.db2.gz OABDCXGACUGDST-BZUAXINKSA-N 1 3 351.495 0.452 20 0 FCADHO CN1CCN(CCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000584002929 491856419 /nfs/dbraw/zinc/85/64/19/491856419.db2.gz PRXMIZQKMDPLBF-KRWDZBQOSA-N 1 3 354.564 0.958 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000584099140 491858410 /nfs/dbraw/zinc/85/84/10/491858410.db2.gz CNTNMBDVICTBHN-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000584099140 491858411 /nfs/dbraw/zinc/85/84/11/491858411.db2.gz CNTNMBDVICTBHN-IAGOWNOFSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCSC1 ZINC000584358483 491863797 /nfs/dbraw/zinc/86/37/97/491863797.db2.gz VKKYJJVUDAFAPN-SFHVURJKSA-N 1 3 370.563 0.965 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC000595271357 491909796 /nfs/dbraw/zinc/90/97/96/491909796.db2.gz QTQIAFXXOVLZDZ-WCXIOVBPSA-N 1 3 357.458 0.086 20 0 FCADHO CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCCC1 ZINC000595273705 491910428 /nfs/dbraw/zinc/91/04/28/491910428.db2.gz LPLBNAXXFRFOPI-IRXDYDNUSA-N 1 3 365.522 0.985 20 0 FCADHO CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCCC1 ZINC000595273705 491910430 /nfs/dbraw/zinc/91/04/30/491910430.db2.gz LPLBNAXXFRFOPI-IRXDYDNUSA-N 1 3 365.522 0.985 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOC[C@H]3CCOC3)CC2)CC1 ZINC000598095099 492082831 /nfs/dbraw/zinc/08/28/31/492082831.db2.gz FTWOXMNNWVGHRW-INIZCTEOSA-N 1 3 368.522 0.897 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCn1cncn1 ZINC000608630999 492182923 /nfs/dbraw/zinc/18/29/23/492182923.db2.gz MTACZRHHXDRGHL-INIZCTEOSA-N 1 3 351.499 0.726 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCn1cncn1 ZINC000608630999 492182924 /nfs/dbraw/zinc/18/29/24/492182924.db2.gz MTACZRHHXDRGHL-INIZCTEOSA-N 1 3 351.499 0.726 20 0 FCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000608690873 492187614 /nfs/dbraw/zinc/18/76/14/492187614.db2.gz OXAVQUTWGURNNA-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000608690873 492187616 /nfs/dbraw/zinc/18/76/16/492187616.db2.gz OXAVQUTWGURNNA-INIZCTEOSA-N 1 3 365.522 0.844 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000608764688 492191885 /nfs/dbraw/zinc/19/18/85/492191885.db2.gz CGVWBOIWULUFCB-NRFANRHFSA-N 1 3 374.529 0.719 20 0 FCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608764688 492191888 /nfs/dbraw/zinc/19/18/88/492191888.db2.gz CGVWBOIWULUFCB-NRFANRHFSA-N 1 3 374.529 0.719 20 0 FCADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000627504760 492325726 /nfs/dbraw/zinc/32/57/26/492325726.db2.gz FKGSOHFPCHWHDM-CGTJXYLNSA-N 1 3 358.486 0.976 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642330444 492351686 /nfs/dbraw/zinc/35/16/86/492351686.db2.gz KIEYYADTZMATMP-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000654856098 492361285 /nfs/dbraw/zinc/36/12/85/492361285.db2.gz QJVODXQQHOBWRY-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000642686015 492373619 /nfs/dbraw/zinc/37/36/19/492373619.db2.gz BUIDVDYOXPDGHU-AEFFLSMTSA-N 1 3 374.485 0.454 20 0 FCADHO CC[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000642725989 492380576 /nfs/dbraw/zinc/38/05/76/492380576.db2.gz WDFRWBDAWPOGKA-YJBOKZPZSA-N 1 3 372.513 0.788 20 0 FCADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCCCN1CCCC1=O ZINC000647977115 492390628 /nfs/dbraw/zinc/39/06/28/492390628.db2.gz XYRXXKQNNADJPD-IAGOWNOFSA-N 1 3 350.507 0.827 20 0 FCADHO O=S(=O)([C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000647988752 492391762 /nfs/dbraw/zinc/39/17/62/492391762.db2.gz HLJYPWUTSYLKJF-QGZVFWFLSA-N 1 3 359.536 0.893 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918534 492404138 /nfs/dbraw/zinc/40/41/38/492404138.db2.gz YCVABSQJJNSPPZ-SFHVURJKSA-N 1 3 373.501 0.763 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000642958607 492406683 /nfs/dbraw/zinc/40/66/83/492406683.db2.gz ZIQXZYGYZWPJHF-IMJJTQAJSA-N 1 3 366.506 0.406 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621841265 492423117 /nfs/dbraw/zinc/42/31/17/492423117.db2.gz SPQRWMWHBXAGLC-JXFKEZNVSA-N 1 3 374.485 0.583 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028276 492443316 /nfs/dbraw/zinc/44/33/16/492443316.db2.gz OUUMWVWMIIBMTI-QAPCUYQASA-N 1 3 354.495 0.143 20 0 FCADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643453486 492466815 /nfs/dbraw/zinc/46/68/15/492466815.db2.gz HCQVIMGKBOTXMA-BRWVUGGUSA-N 1 3 358.552 0.464 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000643489793 492479552 /nfs/dbraw/zinc/47/95/52/492479552.db2.gz PZBGORSOLYJHJZ-YESZJQIVSA-N 1 3 350.507 0.635 20 0 FCADHO CN1CCC(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)(N2CCOCC2)CC1 ZINC000655777704 492479645 /nfs/dbraw/zinc/47/96/45/492479645.db2.gz WEKNJRVIGBPJHU-LJQANCHMSA-N 1 3 366.550 0.626 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCO1 ZINC000643494594 492481450 /nfs/dbraw/zinc/48/14/50/492481450.db2.gz HRHZSGRGVSAYTH-ARFHVFGLSA-N 1 3 352.479 0.038 20 0 FCADHO O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498781 492482540 /nfs/dbraw/zinc/48/25/40/492482540.db2.gz VKCCUYJCUNIZIG-OKZBNKHCSA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000643505655 492484607 /nfs/dbraw/zinc/48/46/07/492484607.db2.gz OGRBNRBNVUWYHP-YESZJQIVSA-N 1 3 350.507 0.777 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643511192 492485663 /nfs/dbraw/zinc/48/56/63/492485663.db2.gz OSAJEVNOEFEQKK-SJORKVTESA-N 1 3 368.522 0.261 20 0 FCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000649072781 492489854 /nfs/dbraw/zinc/48/98/54/492489854.db2.gz IRIIQRHHUFSGAG-AWEZNQCLSA-N 1 3 363.462 0.214 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000649072782 492490227 /nfs/dbraw/zinc/49/02/27/492490227.db2.gz IRIIQRHHUFSGAG-CQSZACIVSA-N 1 3 363.462 0.214 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643560031 492499056 /nfs/dbraw/zinc/49/90/56/492499056.db2.gz FRVOTMHCEBGYOB-CVEARBPZSA-N 1 3 364.515 0.849 20 0 FCADHO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643592243 492502575 /nfs/dbraw/zinc/50/25/75/492502575.db2.gz NSXZMSQVSMEDCT-UHFFFAOYSA-N 1 3 367.453 0.718 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656022771 492520045 /nfs/dbraw/zinc/52/00/45/492520045.db2.gz LVOQNTMOKWNGEL-BYNSBNAKSA-N 1 3 352.479 0.349 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656022771 492520049 /nfs/dbraw/zinc/52/00/49/492520049.db2.gz LVOQNTMOKWNGEL-BYNSBNAKSA-N 1 3 352.479 0.349 20 0 FCADHO [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028578 492521550 /nfs/dbraw/zinc/52/15/50/492521550.db2.gz MPFQHMLVHYXOFO-IRXDYDNUSA-N 1 3 366.506 0.476 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2O1 ZINC000649347302 492542679 /nfs/dbraw/zinc/54/26/79/492542679.db2.gz PIYXTYDHFGYBDS-CABCVRRESA-N 1 3 370.457 1.000 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c2ccccc2O1 ZINC000649347177 492543071 /nfs/dbraw/zinc/54/30/71/492543071.db2.gz JHGGPLNQXHGRBX-KGLIPLIRSA-N 1 3 356.430 0.782 20 0 FCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649350652 492544015 /nfs/dbraw/zinc/54/40/15/492544015.db2.gz WLCCZRFEJJLUGK-LJQANCHMSA-N 1 3 360.502 0.676 20 0 FCADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000636282400 492574861 /nfs/dbraw/zinc/57/48/61/492574861.db2.gz KUDKEAOTRIZODK-IGKNDFSCSA-N 1 3 351.491 0.950 20 0 FCADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000636282400 492574868 /nfs/dbraw/zinc/57/48/68/492574868.db2.gz KUDKEAOTRIZODK-IGKNDFSCSA-N 1 3 351.491 0.950 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656299093 492577869 /nfs/dbraw/zinc/57/78/69/492577869.db2.gz XAHNSNQWMGDNES-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656299093 492577872 /nfs/dbraw/zinc/57/78/72/492577872.db2.gz XAHNSNQWMGDNES-HZPDHXFCSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC([NH+]2CCC(C(=O)NCCN3CC[C@@H](O)C3)CC2)CC1 ZINC000629168233 492582813 /nfs/dbraw/zinc/58/28/13/492582813.db2.gz KCMZHNQSHWWYET-GOSISDBHSA-N 1 3 352.523 0.366 20 0 FCADHO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656320897 492591490 /nfs/dbraw/zinc/59/14/90/492591490.db2.gz XCMYJMUQXZTFAM-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656320897 492591494 /nfs/dbraw/zinc/59/14/94/492591494.db2.gz XCMYJMUQXZTFAM-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656360639 492613348 /nfs/dbraw/zinc/61/33/48/492613348.db2.gz UTTUSZMXQYQZIY-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000629793991 492674229 /nfs/dbraw/zinc/67/42/29/492674229.db2.gz NSHOWYDNHTTYEJ-UHFFFAOYSA-N 1 3 361.490 0.354 20 0 FCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629796786 492676517 /nfs/dbraw/zinc/67/65/17/492676517.db2.gz SNBOSQKXSZABFW-XQQFMLRXSA-N 1 3 364.412 0.525 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629801990 492679976 /nfs/dbraw/zinc/67/99/76/492679976.db2.gz QKRRZGZRWUHIKE-CHWSQXEVSA-N 1 3 366.428 0.771 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629802775 492680714 /nfs/dbraw/zinc/68/07/14/492680714.db2.gz PTGXWFZTNUQZAW-WCQYABFASA-N 1 3 364.412 0.525 20 0 FCADHO O=C(NCCN1CC[C@@H](O)C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000637267772 492802468 /nfs/dbraw/zinc/80/24/68/492802468.db2.gz JOXNIIFUIGGROB-GOSISDBHSA-N 1 3 361.490 0.659 20 0 FCADHO CN(C)CCn1cc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000631184280 492803000 /nfs/dbraw/zinc/80/30/00/492803000.db2.gz JCDPADUZHIGVMH-UHFFFAOYSA-N 1 3 364.494 0.117 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000657870156 492806302 /nfs/dbraw/zinc/80/63/02/492806302.db2.gz DXFWTCHAISJBSO-FUHWJXTLSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000657870156 492806304 /nfs/dbraw/zinc/80/63/04/492806304.db2.gz DXFWTCHAISJBSO-FUHWJXTLSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000657870158 492806639 /nfs/dbraw/zinc/80/66/39/492806639.db2.gz DXFWTCHAISJBSO-WMZOPIPTSA-N 1 3 371.485 0.673 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000657870158 492806641 /nfs/dbraw/zinc/80/66/41/492806641.db2.gz DXFWTCHAISJBSO-WMZOPIPTSA-N 1 3 371.485 0.673 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000657873142 492807974 /nfs/dbraw/zinc/80/79/74/492807974.db2.gz DCSCOEZHUASXQU-UHFFFAOYSA-N 1 3 359.474 0.530 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631275469 492808511 /nfs/dbraw/zinc/80/85/11/492808511.db2.gz FGRYDGGCVRFUSY-MRXNPFEDSA-N 1 3 350.511 0.448 20 0 FCADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cn1 ZINC000658263067 492856738 /nfs/dbraw/zinc/85/67/38/492856738.db2.gz GOFYRQUSVCKXJQ-CYBMUJFWSA-N 1 3 350.467 0.372 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])ccc2[nH]c1=O ZINC000637866544 492872684 /nfs/dbraw/zinc/87/26/84/492872684.db2.gz MXDVTJKNVOKOMX-AWEZNQCLSA-N 1 3 360.462 0.018 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652148825 492886741 /nfs/dbraw/zinc/88/67/41/492886741.db2.gz IHDXDTHFSJPIJD-UHFFFAOYSA-N 1 3 353.511 0.618 20 0 FCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000638084171 492901952 /nfs/dbraw/zinc/90/19/52/492901952.db2.gz DBHMHQSPIBELKQ-LPHOPBHVSA-N 1 3 362.474 0.361 20 0 FCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000638084174 492902668 /nfs/dbraw/zinc/90/26/68/492902668.db2.gz DBHMHQSPIBELKQ-VQIMIIECSA-N 1 3 362.474 0.361 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638101285 492905672 /nfs/dbraw/zinc/90/56/72/492905672.db2.gz PEPVLFXQLCSKFB-VXGBXAGGSA-N 1 3 354.405 0.964 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315737 492909359 /nfs/dbraw/zinc/90/93/59/492909359.db2.gz CDYGDQLSHFPEEJ-MRXNPFEDSA-N 1 3 351.495 0.324 20 0 FCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652347974 492913616 /nfs/dbraw/zinc/91/36/16/492913616.db2.gz QLNFPZIYAPBVBG-WNRNVDISSA-N 1 3 366.506 0.332 20 0 FCADHO CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652360473 492915859 /nfs/dbraw/zinc/91/58/59/492915859.db2.gz IXKGODCUJAVFMO-ZACQAIPSSA-N 1 3 352.479 0.038 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1=O ZINC000638562851 492960920 /nfs/dbraw/zinc/96/09/20/492960920.db2.gz ZYJZIXSQTXTZRO-UPJWGTAASA-N 1 3 364.412 0.382 20 0 FCADHO CCN1CCN(CCC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000638558731 492961126 /nfs/dbraw/zinc/96/11/26/492961126.db2.gz OJMXHSOXZIHZCI-ZIAGYGMSSA-N 1 3 350.429 1.000 20 0 FCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000645783007 492974904 /nfs/dbraw/zinc/97/49/04/492974904.db2.gz BJWBBDSVQPVGOF-QGZVFWFLSA-N 1 3 350.507 0.969 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652668358 492983403 /nfs/dbraw/zinc/98/34/03/492983403.db2.gz YJBYJXWAQJQDSM-LUKYLMHMSA-N 1 3 368.522 0.578 20 0 FCADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639005883 492991389 /nfs/dbraw/zinc/99/13/89/492991389.db2.gz QMPDDWSOAYWHSU-MSOLQXFVSA-N 1 3 358.486 0.944 20 0 FCADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639005884 492991512 /nfs/dbraw/zinc/99/15/12/492991512.db2.gz QMPDDWSOAYWHSU-QZTJIDSGSA-N 1 3 358.486 0.944 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652737501 493014110 /nfs/dbraw/zinc/01/41/10/493014110.db2.gz LXSIOIZSEMABLH-SJORKVTESA-N 1 3 350.507 0.779 20 0 FCADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)C1 ZINC000653115518 493072849 /nfs/dbraw/zinc/07/28/49/493072849.db2.gz RHXMXVHPMOVBQN-GUXCAODWSA-N 1 3 372.469 0.558 20 0 FCADHO CN(CCN1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000653117885 493074100 /nfs/dbraw/zinc/07/41/00/493074100.db2.gz YLBMQWYWVWGRAR-LJQANCHMSA-N 1 3 361.534 0.542 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653124878 493076619 /nfs/dbraw/zinc/07/66/19/493076619.db2.gz KARVMINUJISNOV-LJQANCHMSA-N 1 3 361.534 0.719 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c(C)c2)CC1 ZINC000633030020 493105872 /nfs/dbraw/zinc/10/58/72/493105872.db2.gz ZAKCAIUOUATGHT-RDJZCZTQSA-N 1 3 371.485 0.648 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000633039572 493108495 /nfs/dbraw/zinc/10/84/95/493108495.db2.gz LNYBEDBNOLBAQK-LSDHHAIUSA-N 1 3 359.474 0.715 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000633040434 493108980 /nfs/dbraw/zinc/10/89/80/493108980.db2.gz XMQBCTHSIDJFSU-DOTOQJQBSA-N 1 3 373.501 0.711 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627258983 493120314 /nfs/dbraw/zinc/12/03/14/493120314.db2.gz KHOVYLVIEOKUOO-BJLQDIEVSA-N 1 3 359.470 0.291 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000627258983 493120318 /nfs/dbraw/zinc/12/03/18/493120318.db2.gz KHOVYLVIEOKUOO-BJLQDIEVSA-N 1 3 359.470 0.291 20 0 FCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)C2)C1 ZINC000659038112 493128778 /nfs/dbraw/zinc/12/87/78/493128778.db2.gz KBYWMBVQIHVHJK-LJQANCHMSA-N 1 3 350.507 0.873 20 0 FCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCCN(C(C)(C)C)CC3)C2)C1 ZINC000659038112 493128785 /nfs/dbraw/zinc/12/87/85/493128785.db2.gz KBYWMBVQIHVHJK-LJQANCHMSA-N 1 3 350.507 0.873 20 0 FCADHO COCCN(C)CCN1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1=O ZINC000633106845 493128969 /nfs/dbraw/zinc/12/89/69/493128969.db2.gz XIHDRDYWAURHMU-MRXNPFEDSA-N 1 3 354.495 0.014 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633112031 493130521 /nfs/dbraw/zinc/13/05/21/493130521.db2.gz VSBIEMXGCBEAFQ-CEXWTWQISA-N 1 3 370.497 0.725 20 0 FCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000633117708 493133347 /nfs/dbraw/zinc/13/33/47/493133347.db2.gz FPQZIBCRMSTKAF-LAVFITLUSA-N 1 3 356.470 0.667 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000627325677 493154486 /nfs/dbraw/zinc/15/44/86/493154486.db2.gz QWTWBTGLEJYTDU-AWEZNQCLSA-N 1 3 352.504 0.884 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000627342141 493163204 /nfs/dbraw/zinc/16/32/04/493163204.db2.gz XKFPOQHYCIMTKM-NWDGAFQWSA-N 1 3 364.412 0.573 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000627342142 493163790 /nfs/dbraw/zinc/16/37/90/493163790.db2.gz XKFPOQHYCIMTKM-RYUDHWBXSA-N 1 3 364.412 0.573 20 0 FCADHO C[C@@H]1CCC[C@@](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)([NH+](C)C)C1 ZINC000659441496 493177801 /nfs/dbraw/zinc/17/78/01/493177801.db2.gz SYLHXYKRHMIVNZ-SJKOYZFVSA-N 1 3 350.467 0.951 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627389803 493197138 /nfs/dbraw/zinc/19/71/38/493197138.db2.gz QNQFFYGHWVBWCD-RYUDHWBXSA-N 1 3 352.401 0.430 20 0 FCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000666753433 493222223 /nfs/dbraw/zinc/22/22/23/493222223.db2.gz WJUBCKLSHTXMHQ-MRXNPFEDSA-N 1 3 355.527 0.768 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000659630219 493224263 /nfs/dbraw/zinc/22/42/63/493224263.db2.gz GXOQQHRKBNGBQD-SWLSCSKDSA-N 1 3 360.462 0.799 20 0 FCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000659630219 493224264 /nfs/dbraw/zinc/22/42/64/493224264.db2.gz GXOQQHRKBNGBQD-SWLSCSKDSA-N 1 3 360.462 0.799 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000672691594 493233706 /nfs/dbraw/zinc/23/37/06/493233706.db2.gz ZGJCGPGFQAZJGY-INIZCTEOSA-N 1 3 368.522 0.282 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000672691594 493233710 /nfs/dbraw/zinc/23/37/10/493233710.db2.gz ZGJCGPGFQAZJGY-INIZCTEOSA-N 1 3 368.522 0.282 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000672691595 493233765 /nfs/dbraw/zinc/23/37/65/493233765.db2.gz ZGJCGPGFQAZJGY-MRXNPFEDSA-N 1 3 368.522 0.282 20 0 FCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000672691595 493233768 /nfs/dbraw/zinc/23/37/68/493233768.db2.gz ZGJCGPGFQAZJGY-MRXNPFEDSA-N 1 3 368.522 0.282 20 0 FCADHO C[C@H]([NH3+])CNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000641443780 493237350 /nfs/dbraw/zinc/23/73/50/493237350.db2.gz WDPDETFAKIZGDO-DLBZAZTESA-N 1 3 360.506 0.972 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC1CCN([C@H]3CCOC3)CC1)CCO2 ZINC000666979365 493245185 /nfs/dbraw/zinc/24/51/85/493245185.db2.gz VDMHSCIMYZNKQK-KRWDZBQOSA-N 1 3 366.506 0.746 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000659686797 493253744 /nfs/dbraw/zinc/25/37/44/493253744.db2.gz JYKBQYRBEKBVMZ-CYBMUJFWSA-N 1 3 352.504 0.800 20 0 FCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659689383 493254519 /nfs/dbraw/zinc/25/45/19/493254519.db2.gz CBWXHMMRRURPHN-CQSZACIVSA-N 1 3 361.490 0.919 20 0 FCADHO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659717129 493269467 /nfs/dbraw/zinc/26/94/67/493269467.db2.gz ZYMVIUWFSQMASU-ZWKOTPCHSA-N 1 3 373.501 0.796 20 0 FCADHO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659717128 493269768 /nfs/dbraw/zinc/26/97/68/493269768.db2.gz ZYMVIUWFSQMASU-ROUUACIJSA-N 1 3 373.501 0.796 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659726910 493274527 /nfs/dbraw/zinc/27/45/27/493274527.db2.gz CQDSMBCJYGNXPT-YJBOKZPZSA-N 1 3 373.501 0.606 20 0 FCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659728503 493275387 /nfs/dbraw/zinc/27/53/87/493275387.db2.gz JSVHEIFWGUNURH-CRAIPNDOSA-N 1 3 373.501 0.606 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659738643 493279620 /nfs/dbraw/zinc/27/96/20/493279620.db2.gz HIWJPFLJLDEZQT-GVDBMIGSSA-N 1 3 366.506 0.332 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000659738844 493279631 /nfs/dbraw/zinc/27/96/31/493279631.db2.gz IYHGEMYFOPXJLM-ULQDDVLXSA-N 1 3 366.506 0.332 20 0 FCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737956 493279760 /nfs/dbraw/zinc/27/97/60/493279760.db2.gz WRIBONMBNNXAQW-HOTGVXAUSA-N 1 3 350.507 0.968 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659738645 493279922 /nfs/dbraw/zinc/27/99/22/493279922.db2.gz HIWJPFLJLDEZQT-YESZJQIVSA-N 1 3 366.506 0.332 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000659739378 493280448 /nfs/dbraw/zinc/28/04/48/493280448.db2.gz RZCHIBBBNIQBHZ-YESZJQIVSA-N 1 3 362.449 0.679 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000659751657 493286132 /nfs/dbraw/zinc/28/61/32/493286132.db2.gz IGRPNKWNGPATQV-OAHLLOKOSA-N 1 3 361.490 0.271 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668624929 493386112 /nfs/dbraw/zinc/38/61/12/493386112.db2.gz CXZUQGZGYWKPML-GDBMZVCRSA-N 1 3 354.495 0.202 20 0 FCADHO CC(C)c1ncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000684639980 493425098 /nfs/dbraw/zinc/42/50/98/493425098.db2.gz HKBSTRUTVBEREI-UHFFFAOYSA-N 1 3 350.467 0.490 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000668893141 493430170 /nfs/dbraw/zinc/43/01/70/493430170.db2.gz MXUWFYXJAVRRCG-RHSMWYFYSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000674630469 493434904 /nfs/dbraw/zinc/43/49/04/493434904.db2.gz FEENWTHHQDRYIR-BBWFWOEESA-N 1 3 365.522 0.842 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000674630469 493434907 /nfs/dbraw/zinc/43/49/07/493434907.db2.gz FEENWTHHQDRYIR-BBWFWOEESA-N 1 3 365.522 0.842 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674630470 493434983 /nfs/dbraw/zinc/43/49/83/493434983.db2.gz FEENWTHHQDRYIR-ZACQAIPSSA-N 1 3 365.522 0.842 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674630470 493434985 /nfs/dbraw/zinc/43/49/85/493434985.db2.gz FEENWTHHQDRYIR-ZACQAIPSSA-N 1 3 365.522 0.842 20 0 FCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000661662972 493456393 /nfs/dbraw/zinc/45/63/93/493456393.db2.gz JFXBBXAHCYZTOT-APWZRJJASA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CCN(C)CC1 ZINC000685444266 493492214 /nfs/dbraw/zinc/49/22/14/493492214.db2.gz KDMHUYMUUMNHNM-HNNXBMFYSA-N 1 3 357.458 0.497 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CCN(C)CC1 ZINC000685444267 493492360 /nfs/dbraw/zinc/49/23/60/493492360.db2.gz KDMHUYMUUMNHNM-OAHLLOKOSA-N 1 3 357.458 0.497 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669430851 493503693 /nfs/dbraw/zinc/50/36/93/493503693.db2.gz HGEKROBFROSYSQ-PKOBYXMFSA-N 1 3 372.517 0.987 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662294458 493504780 /nfs/dbraw/zinc/50/47/80/493504780.db2.gz WITZTXSGBGEKBA-CRAIPNDOSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491440 493507673 /nfs/dbraw/zinc/50/76/73/493507673.db2.gz ZDKBKDBBOHKIIQ-ZIAGYGMSSA-N 1 3 363.428 0.606 20 0 FCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491438 493507729 /nfs/dbraw/zinc/50/77/29/493507729.db2.gz ZDKBKDBBOHKIIQ-KGLIPLIRSA-N 1 3 363.428 0.606 20 0 FCADHO Cn1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1=O ZINC000662337950 493507891 /nfs/dbraw/zinc/50/78/91/493507891.db2.gz OECTWSJQTWMPEP-INIZCTEOSA-N 1 3 356.474 0.898 20 0 FCADHO Cn1ccc(C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1=O ZINC000662337950 493507893 /nfs/dbraw/zinc/50/78/93/493507893.db2.gz OECTWSJQTWMPEP-INIZCTEOSA-N 1 3 356.474 0.898 20 0 FCADHO [NH3+]CCCn1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)nn1 ZINC000662637967 493529413 /nfs/dbraw/zinc/52/94/13/493529413.db2.gz NLNPQTPCDCFBEF-UHFFFAOYSA-N 1 3 357.462 0.664 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662659324 493530098 /nfs/dbraw/zinc/53/00/98/493530098.db2.gz SBKFJMHMMNBDCB-MSOLQXFVSA-N 1 3 358.486 0.630 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712092 493533859 /nfs/dbraw/zinc/53/38/59/493533859.db2.gz PXJZREPUYLUPND-IUODEOHRSA-N 1 3 364.412 0.587 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662715402 493534226 /nfs/dbraw/zinc/53/42/26/493534226.db2.gz HWZPNLZELIFUJX-UHFFFAOYSA-N 1 3 358.486 0.959 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662758769 493540101 /nfs/dbraw/zinc/54/01/01/493540101.db2.gz STNOOUOERUUURG-DZGCQCFKSA-N 1 3 350.429 0.918 20 0 FCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1CCNC2 ZINC000662772927 493540485 /nfs/dbraw/zinc/54/04/85/493540485.db2.gz JFURPYUBZQCNJE-OAHLLOKOSA-N 1 3 356.392 0.898 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1=O ZINC000662842586 493546488 /nfs/dbraw/zinc/54/64/88/493546488.db2.gz PXKJTLNPXMHKNQ-SJORKVTESA-N 1 3 350.507 0.635 20 0 FCADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016842 493566475 /nfs/dbraw/zinc/56/64/75/493566475.db2.gz GHLIODCZUGSYMJ-JKSUJKDBSA-N 1 3 372.517 0.915 20 0 FCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000676997442 493581581 /nfs/dbraw/zinc/58/15/81/493581581.db2.gz YGXLPNSVAWDFDJ-GOSISDBHSA-N 1 3 366.462 0.124 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000663446122 493590012 /nfs/dbraw/zinc/59/00/12/493590012.db2.gz CRGVTLCXUCEATG-UHFFFAOYSA-N 1 3 355.527 0.912 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000670983494 493619234 /nfs/dbraw/zinc/61/92/34/493619234.db2.gz ITNGWNXITZHPMY-KRWDZBQOSA-N 1 3 350.507 0.921 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663825589 493619553 /nfs/dbraw/zinc/61/95/53/493619553.db2.gz LPOKMLQADAZLHR-QGZVFWFLSA-N 1 3 354.495 0.338 20 0 FCADHO COCCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663825589 493619557 /nfs/dbraw/zinc/61/95/57/493619557.db2.gz LPOKMLQADAZLHR-QGZVFWFLSA-N 1 3 354.495 0.338 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000664767845 493682699 /nfs/dbraw/zinc/68/26/99/493682699.db2.gz XSYHPOUQJYPNFO-UHFFFAOYSA-N 1 3 353.511 0.522 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680011860 493705281 /nfs/dbraw/zinc/70/52/81/493705281.db2.gz GVCLDGHRCZKHFQ-FUHWJXTLSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680011860 493705283 /nfs/dbraw/zinc/70/52/83/493705283.db2.gz GVCLDGHRCZKHFQ-FUHWJXTLSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680011860 493705284 /nfs/dbraw/zinc/70/52/84/493705284.db2.gz GVCLDGHRCZKHFQ-FUHWJXTLSA-N 1 3 352.523 0.582 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000672012959 493725102 /nfs/dbraw/zinc/72/51/02/493725102.db2.gz DXLPKMWOQUWYIK-BHYGNILZSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](CCO)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666151211 493760425 /nfs/dbraw/zinc/76/04/25/493760425.db2.gz GEBIBAHDSWEXJJ-UHFFFAOYSA-N 1 3 363.506 0.907 20 0 FCADHO CC[N@@H+](CCO)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666151211 493760426 /nfs/dbraw/zinc/76/04/26/493760426.db2.gz GEBIBAHDSWEXJJ-UHFFFAOYSA-N 1 3 363.506 0.907 20 0 FCADHO C[C@@H](CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)[N@H+](C)C1CC1 ZINC000413253306 533950250 /nfs/dbraw/zinc/95/02/50/533950250.db2.gz UPKJXQOPOGVIRN-INIZCTEOSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@@H](CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000413253306 533950261 /nfs/dbraw/zinc/95/02/61/533950261.db2.gz UPKJXQOPOGVIRN-INIZCTEOSA-N 1 3 367.538 0.565 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000411030770 529074427 /nfs/dbraw/zinc/07/44/27/529074427.db2.gz RUGXUDYUTJUGOW-IXDOHACOSA-N 1 3 350.507 0.870 20 0 FCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000411030770 529074430 /nfs/dbraw/zinc/07/44/30/529074430.db2.gz RUGXUDYUTJUGOW-IXDOHACOSA-N 1 3 350.507 0.870 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)CC1 ZINC000419535004 536543447 /nfs/dbraw/zinc/54/34/47/536543447.db2.gz KPNMAQJCQBSDDK-QGZVFWFLSA-N 1 3 368.522 0.627 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419975674 535066939 /nfs/dbraw/zinc/06/69/39/535066939.db2.gz LLIVNSMHXXXPFM-MRXNPFEDSA-N 1 3 352.454 0.815 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000419972307 535067228 /nfs/dbraw/zinc/06/72/28/535067228.db2.gz HPCLUXCSRORCJD-MRXNPFEDSA-N 1 3 370.444 0.955 20 0 FCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419692522 535071069 /nfs/dbraw/zinc/07/10/69/535071069.db2.gz GZRBATIZOLCJSK-HZPDHXFCSA-N 1 3 354.495 0.108 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c2)CC1 ZINC000415363485 535205528 /nfs/dbraw/zinc/20/55/28/535205528.db2.gz QLMPPYROSFOCCI-INIZCTEOSA-N 1 3 373.501 0.963 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423641629 535543160 /nfs/dbraw/zinc/54/31/60/535543160.db2.gz HPMJFSFYXBYOMT-OAHLLOKOSA-N 1 3 354.495 0.286 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c2)CC1 ZINC000415352154 535751139 /nfs/dbraw/zinc/75/11/39/535751139.db2.gz JVUKPZWZHQPCTP-OAHLLOKOSA-N 1 3 359.474 0.574 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000415759609 535907503 /nfs/dbraw/zinc/90/75/03/535907503.db2.gz KIJRXFJTHWGERO-JYAVWHMHSA-N 1 3 366.849 0.553 20 0 FCADHO CN(C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000419227984 535946511 /nfs/dbraw/zinc/94/65/11/535946511.db2.gz LOBWMLKTTAMUEI-IRXDYDNUSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423711247 535973105 /nfs/dbraw/zinc/97/31/05/535973105.db2.gz MASKKULQVDXDSA-QZTJIDSGSA-N 1 3 358.486 0.978 20 0 FCADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435618705 536307267 /nfs/dbraw/zinc/30/72/67/536307267.db2.gz ZTXHBMZWASYMGZ-AWEZNQCLSA-N 1 3 354.476 0.737 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000419191135 536416733 /nfs/dbraw/zinc/41/67/33/536416733.db2.gz NVVJNCRFLDEJDK-SFHVURJKSA-N 1 3 358.486 0.896 20 0 FCADHO COCC1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC[NH2+]CC1 ZINC000592219278 546622319 /nfs/dbraw/zinc/62/23/19/546622319.db2.gz HVIGFZIMYYQWGQ-KRWDZBQOSA-N 1 3 352.523 0.630 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549940992 547075580 /nfs/dbraw/zinc/07/55/80/547075580.db2.gz RFRLFXVNHYAUCX-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000549940992 547075583 /nfs/dbraw/zinc/07/55/83/547075583.db2.gz RFRLFXVNHYAUCX-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000550692623 547098644 /nfs/dbraw/zinc/09/86/44/547098644.db2.gz YJQSFXWWBXXWGI-OAHLLOKOSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000551216692 547135734 /nfs/dbraw/zinc/13/57/34/547135734.db2.gz ABTLKDJSVHEUOO-KDOFPFPSSA-N 1 3 368.547 0.673 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000551216692 547135740 /nfs/dbraw/zinc/13/57/40/547135740.db2.gz ABTLKDJSVHEUOO-KDOFPFPSSA-N 1 3 368.547 0.673 20 0 FCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000553271144 547265195 /nfs/dbraw/zinc/26/51/95/547265195.db2.gz GLJSITBJQFMMCT-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC000954412313 674496684 /nfs/dbraw/zinc/49/66/84/674496684.db2.gz DZEHVPOXRXTNSV-BBWFWOEESA-N 1 3 350.507 0.726 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC000954412313 674496686 /nfs/dbraw/zinc/49/66/86/674496686.db2.gz DZEHVPOXRXTNSV-BBWFWOEESA-N 1 3 350.507 0.726 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC000956058601 674517220 /nfs/dbraw/zinc/51/72/20/674517220.db2.gz XVIIXFBFQGFBNK-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC000956058601 674517223 /nfs/dbraw/zinc/51/72/23/674517223.db2.gz XVIIXFBFQGFBNK-OWCLPIDISA-N 1 3 350.507 0.918 20 0 FCADHO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821351863 606635233 /nfs/dbraw/zinc/63/52/33/606635233.db2.gz VYBLMVTWHBSSNI-HNNXBMFYSA-N 1 3 358.450 0.961 20 0 FCADHO COCCN1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891440307 663393588 /nfs/dbraw/zinc/39/35/88/663393588.db2.gz XFLOPDBDCUZUMP-YPMHNXCESA-N 1 3 352.401 0.876 20 0 FCADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847036 663444379 /nfs/dbraw/zinc/44/43/79/663444379.db2.gz DKZRAYYJZKPBSD-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847036 663444381 /nfs/dbraw/zinc/44/43/81/663444381.db2.gz DKZRAYYJZKPBSD-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)o1 ZINC000926313035 663457739 /nfs/dbraw/zinc/45/77/39/663457739.db2.gz CHODDVOUZMPQKM-OAHLLOKOSA-N 1 3 350.463 0.676 20 0 FCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892080452 663474098 /nfs/dbraw/zinc/47/40/98/663474098.db2.gz XZAYUGHSSHDTHW-CABCVRRESA-N 1 3 351.495 0.500 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]1 ZINC000892096930 663475787 /nfs/dbraw/zinc/47/57/87/663475787.db2.gz KJSIXSDEASKMQC-CABCVRRESA-N 1 3 351.495 0.642 20 0 FCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892281393 663521082 /nfs/dbraw/zinc/52/10/82/663521082.db2.gz JVSKTQKDEPQMQG-LSDHHAIUSA-N 1 3 351.495 0.642 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442059 663902619 /nfs/dbraw/zinc/90/26/19/663902619.db2.gz QUKJUHOCHDXRCB-JYJNAYRXSA-N 1 3 351.495 0.452 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000892648551 664059392 /nfs/dbraw/zinc/05/93/92/664059392.db2.gz FGIOPKNXHMUATN-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000892648551 664059396 /nfs/dbraw/zinc/05/93/96/664059396.db2.gz FGIOPKNXHMUATN-HOTGVXAUSA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000973336131 664099491 /nfs/dbraw/zinc/09/94/91/664099491.db2.gz WWTBFERFMUVNKW-OVYGPGRDSA-N 1 3 350.507 0.964 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000973336131 664099494 /nfs/dbraw/zinc/09/94/94/664099494.db2.gz WWTBFERFMUVNKW-OVYGPGRDSA-N 1 3 350.507 0.964 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000973334342 664100110 /nfs/dbraw/zinc/10/01/10/664100110.db2.gz CVPDFVLJKXADNF-QUSNUVHPSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000973334342 664100111 /nfs/dbraw/zinc/10/01/11/664100111.db2.gz CVPDFVLJKXADNF-QUSNUVHPSA-N 1 3 350.507 0.822 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)CC[N@@H+]1C ZINC000974191220 664227536 /nfs/dbraw/zinc/22/75/36/664227536.db2.gz WWTBFERFMUVNKW-UHDSXZAQSA-N 1 3 350.507 0.964 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)CC[N@H+]1C ZINC000974191220 664227538 /nfs/dbraw/zinc/22/75/38/664227538.db2.gz WWTBFERFMUVNKW-UHDSXZAQSA-N 1 3 350.507 0.964 20 0 FCADHO Cc1csc(=O)n1CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549357 664901463 /nfs/dbraw/zinc/90/14/63/664901463.db2.gz PJBAMSDVYGXXJI-BZUAXINKSA-N 1 3 366.531 0.997 20 0 FCADHO Cc1csc(=O)n1CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549357 664901464 /nfs/dbraw/zinc/90/14/64/664901464.db2.gz PJBAMSDVYGXXJI-BZUAXINKSA-N 1 3 366.531 0.997 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000988099228 665275502 /nfs/dbraw/zinc/27/55/02/665275502.db2.gz ULPXHZXKOUMTFU-PMPSAXMXSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000988099228 665275504 /nfs/dbraw/zinc/27/55/04/665275504.db2.gz ULPXHZXKOUMTFU-PMPSAXMXSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000897488213 665293870 /nfs/dbraw/zinc/29/38/70/665293870.db2.gz YBAUOSFUXSKPSW-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000897488213 665293872 /nfs/dbraw/zinc/29/38/72/665293872.db2.gz YBAUOSFUXSKPSW-CVEARBPZSA-N 1 3 351.495 0.419 20 0 FCADHO CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000907602880 666146782 /nfs/dbraw/zinc/14/67/82/666146782.db2.gz FZEHJVGIWBZAFN-KRWDZBQOSA-N 1 3 354.539 0.706 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000938718039 666478499 /nfs/dbraw/zinc/47/84/99/666478499.db2.gz ZJSCDAJDAVEAPH-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000938718039 666478500 /nfs/dbraw/zinc/47/85/00/666478500.db2.gz ZJSCDAJDAVEAPH-HYVNUMGLSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000912811524 666479255 /nfs/dbraw/zinc/47/92/55/666479255.db2.gz KLZZMVGYBLRYPA-IXDOHACOSA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000939880519 666530913 /nfs/dbraw/zinc/53/09/13/666530913.db2.gz PFRJTGYNZVANKL-OIISXLGYSA-N 1 3 352.523 0.878 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000939884531 666530929 /nfs/dbraw/zinc/53/09/29/666530929.db2.gz JRMGDRDOXISWKL-BFYDXBDKSA-N 1 3 350.507 0.776 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000764500849 667985038 /nfs/dbraw/zinc/98/50/38/667985038.db2.gz AKDDJSONVHWUBA-HNNXBMFYSA-N 1 3 369.579 0.687 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000764504211 667985457 /nfs/dbraw/zinc/98/54/57/667985457.db2.gz PSNGOCZQBYGYNH-OAHLLOKOSA-N 1 3 353.536 0.194 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCC1 ZINC000793704858 668943373 /nfs/dbraw/zinc/94/33/73/668943373.db2.gz CVNYIOTXASQJAZ-OAHLLOKOSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000793738756 668947281 /nfs/dbraw/zinc/94/72/81/668947281.db2.gz UKWBSDDAMXVJKC-INIZCTEOSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCN(CC[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1(C)C ZINC000819287918 668994260 /nfs/dbraw/zinc/99/42/60/668994260.db2.gz SENZKGVEOHUYHB-OAHLLOKOSA-N 1 3 358.527 0.878 20 0 FCADHO CN(C)Cc1cnc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)s1 ZINC000796307901 669095384 /nfs/dbraw/zinc/09/53/84/669095384.db2.gz NVMICXXAWNISPX-OAHLLOKOSA-N 1 3 353.536 0.701 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804048874 669353699 /nfs/dbraw/zinc/35/36/99/669353699.db2.gz ABZLISOHJSJUEA-CVEARBPZSA-N 1 3 354.495 0.156 20 0 FCADHO CCOC(=O)N1CCC(NC(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000843386128 670810604 /nfs/dbraw/zinc/81/06/04/670810604.db2.gz IKRIKEJQJUNASK-UHFFFAOYSA-N 1 3 352.479 0.799 20 0 FCADHO CN(C[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758440 675968988 /nfs/dbraw/zinc/96/89/88/675968988.db2.gz JYTYXKUZYNPKNG-HOTGVXAUSA-N 1 3 359.536 0.749 20 0 FCADHO Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)CN1CCCC1)C(F)(F)F ZINC000863550893 672136319 /nfs/dbraw/zinc/13/63/19/672136319.db2.gz DSTGHNTXECKAJI-GXTWGEPZSA-N 1 3 350.385 0.606 20 0 FCADHO CC(C)(O)CN1CCC([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000876961097 672990167 /nfs/dbraw/zinc/99/01/67/672990167.db2.gz QAQAJBUBRMGAJD-UHFFFAOYSA-N 1 3 369.531 0.931 20 0 FCADHO CC(=O)N1C[C@@H]2CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H]2C1 ZINC000883770450 673395068 /nfs/dbraw/zinc/39/50/68/673395068.db2.gz RBIXAOLMKBQSJS-BHYGNILZSA-N 1 3 353.511 0.378 20 0 FCADHO CC(=O)N1C[C@@H]2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H]2C1 ZINC000883770450 673395070 /nfs/dbraw/zinc/39/50/70/673395070.db2.gz RBIXAOLMKBQSJS-BHYGNILZSA-N 1 3 353.511 0.378 20 0 FCADHO COCC[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000884235741 673440916 /nfs/dbraw/zinc/44/09/16/673440916.db2.gz CMONCFQNFRJBPB-QGZVFWFLSA-N 1 3 350.463 0.615 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C)CC1 ZINC000884502793 673457767 /nfs/dbraw/zinc/45/77/67/673457767.db2.gz TWNBGAOFQPYZRD-WCXIOVBPSA-N 1 3 350.507 0.870 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000884611975 673465891 /nfs/dbraw/zinc/46/58/91/673465891.db2.gz AEBCILGWQHRFPA-ZWKOTPCHSA-N 1 3 370.563 0.763 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612540 673465991 /nfs/dbraw/zinc/46/59/91/673465991.db2.gz NWDCEPATFIQTME-MSOLQXFVSA-N 1 3 368.547 0.532 20 0 FCADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000884631807 673468200 /nfs/dbraw/zinc/46/82/00/673468200.db2.gz YKZCFQTUKYHQTR-HNAYVOBHSA-N 1 3 350.507 0.810 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967445 673494136 /nfs/dbraw/zinc/49/41/36/673494136.db2.gz FSPJWFZDDVTOQW-XHSDSOJGSA-N 1 3 350.507 0.966 20 0 FCADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000888014627 673664029 /nfs/dbraw/zinc/66/40/29/673664029.db2.gz NCDMZZIBOJAKQG-CZUORRHYSA-N 1 3 352.479 0.653 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC[N@@H+]1C ZINC001011210748 675377439 /nfs/dbraw/zinc/37/74/39/675377439.db2.gz NODRTNASTJOWDC-GVDBMIGSSA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC[N@H+]1C ZINC001011210748 675377442 /nfs/dbraw/zinc/37/74/42/675377442.db2.gz NODRTNASTJOWDC-GVDBMIGSSA-N 1 3 352.523 0.974 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001016530941 675402176 /nfs/dbraw/zinc/40/21/76/675402176.db2.gz FQLCMEVZDRLVMS-SJJHQCBESA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001016530941 675402179 /nfs/dbraw/zinc/40/21/79/675402179.db2.gz FQLCMEVZDRLVMS-SJJHQCBESA-N 1 3 350.507 0.918 20 0 FCADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001746134735 1192202261 /nfs/dbraw/zinc/20/22/61/1192202261.db2.gz GLKVKSLSTWTZAL-HNNXBMFYSA-N 1 3 365.526 0.527 20 0 FCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001772503060 1167729179 /nfs/dbraw/zinc/72/91/79/1167729179.db2.gz PMUFSADORQZEOM-JKSUJKDBSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C2CC2)N(C)C)CC[N@@H+]1C ZINC000969208225 1167814113 /nfs/dbraw/zinc/81/41/13/1167814113.db2.gz JUWUEJKMJSETKR-LHKMKVQPSA-N 1 3 362.518 0.869 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C2CC2)N(C)C)CC[N@H+]1C ZINC000969208225 1167814115 /nfs/dbraw/zinc/81/41/15/1167814115.db2.gz JUWUEJKMJSETKR-LHKMKVQPSA-N 1 3 362.518 0.869 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104256786 1168815980 /nfs/dbraw/zinc/81/59/80/1168815980.db2.gz QBYJIHFFCFTLLE-ZACQAIPSSA-N 1 3 370.513 0.973 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001104362622 1170487587 /nfs/dbraw/zinc/48/75/87/1170487587.db2.gz AFYVGECFKSKFTM-RBSFLKMASA-N 1 3 366.506 0.596 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022218758 1170767029 /nfs/dbraw/zinc/76/70/29/1170767029.db2.gz DXCVSDDNCGIDPD-IXDOHACOSA-N 1 3 360.502 0.626 20 0 FCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001691332490 1171130315 /nfs/dbraw/zinc/13/03/15/1171130315.db2.gz SGEPTMLONJDNGB-GDBMZVCRSA-N 1 3 363.462 0.028 20 0 FCADHO C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNCC(=O)N2CCC2)C1 ZINC001691367018 1171211377 /nfs/dbraw/zinc/21/13/77/1171211377.db2.gz CUSRDOTXKHQIEJ-CVEARBPZSA-N 1 3 350.507 0.777 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001691378841 1171235817 /nfs/dbraw/zinc/23/58/17/1171235817.db2.gz RBROZMGQSWBFRC-KFWWJZLASA-N 1 3 369.510 0.389 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892155791 1171658359 /nfs/dbraw/zinc/65/83/59/1171658359.db2.gz KGCCJYZOTJYTSF-ZDUSSCGKSA-N 1 3 373.448 0.499 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237734 1171876460 /nfs/dbraw/zinc/87/64/60/1171876460.db2.gz RBLIFAHDZZGWFL-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972237734 1171876462 /nfs/dbraw/zinc/87/64/62/1171876462.db2.gz RBLIFAHDZZGWFL-BRWVUGGUSA-N 1 3 362.518 0.729 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001022841233 1172045826 /nfs/dbraw/zinc/04/58/26/1172045826.db2.gz IBNLEWBDEOWRSA-GOEBONIOSA-N 1 3 357.458 0.640 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000550638700 1192893465 /nfs/dbraw/zinc/89/34/65/1192893465.db2.gz CTRWASHKZYALMY-UHFFFAOYSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CCC1 ZINC000972640829 1180100001 /nfs/dbraw/zinc/10/00/01/1180100001.db2.gz UFPZWDVWLQNXNY-HZPDHXFCSA-N 1 3 360.502 0.626 20 0 FCADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001024499758 1181249942 /nfs/dbraw/zinc/24/99/42/1181249942.db2.gz VRQNJOWGTKWYDF-IXDOHACOSA-N 1 3 371.441 0.120 20 0 FCADHO CCCC[C@H](C(N)=O)N1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939783 1181545721 /nfs/dbraw/zinc/54/57/21/1181545721.db2.gz SCADWLHMMNRDMA-FCEWJHQRSA-N 1 3 368.522 0.579 20 0 FCADHO CN1CCC([NH+]2CCC(NC(=O)NCCN3CCC(O)CC3)CC2)CC1 ZINC000892522333 1181724920 /nfs/dbraw/zinc/72/49/20/1181724920.db2.gz XGNUHTUWDYHHNC-UHFFFAOYSA-N 1 3 367.538 0.301 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892685590 1182277087 /nfs/dbraw/zinc/27/70/87/1182277087.db2.gz ALTUVSSKWARCSB-MSOLQXFVSA-N 1 3 368.522 0.728 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776794 1182497574 /nfs/dbraw/zinc/49/75/74/1182497574.db2.gz IASSIAPRVSAYST-SJORKVTESA-N 1 3 368.522 0.897 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104809482 1182928954 /nfs/dbraw/zinc/92/89/54/1182928954.db2.gz HNPQPPLEQMNXHE-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001104938665 1183012412 /nfs/dbraw/zinc/01/24/12/1183012412.db2.gz AIVDRJPHFBWVOB-KZNAEPCWSA-N 1 3 365.522 0.660 20 0 FCADHO CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064542 1183097987 /nfs/dbraw/zinc/09/79/87/1183097987.db2.gz VPOGXPIDSVBGJY-IAGOWNOFSA-N 1 3 370.538 0.554 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001105067198 1183100108 /nfs/dbraw/zinc/10/01/08/1183100108.db2.gz REDNXEAJPMTFAC-HZPDHXFCSA-N 1 3 366.506 0.550 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105066907 1183101303 /nfs/dbraw/zinc/10/13/03/1183101303.db2.gz GBRVVMDLTKXYLA-RBSFLKMASA-N 1 3 369.510 0.245 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21)N(C)C ZINC000974683341 1183443198 /nfs/dbraw/zinc/44/31/98/1183443198.db2.gz KCRQJWBZGVINNZ-KZNAEPCWSA-N 1 3 364.534 0.974 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000975408291 1183859090 /nfs/dbraw/zinc/85/90/90/1183859090.db2.gz APAHLJNNJIESFA-DJIMGWMZSA-N 1 3 357.458 0.353 20 0 FCADHO C[NH+](C)[C@@H](C(=O)N1CC[C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C1)C1CC1 ZINC000975759159 1185726335 /nfs/dbraw/zinc/72/63/35/1185726335.db2.gz PLPCAFNACLIDSD-VDZJLULYSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760537 1185732085 /nfs/dbraw/zinc/73/20/85/1185732085.db2.gz KMHPGNHRERHXJV-BBWFWOEESA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760537 1185732094 /nfs/dbraw/zinc/73/20/94/1185732094.db2.gz KMHPGNHRERHXJV-BBWFWOEESA-N 1 3 362.518 0.872 20 0 FCADHO COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530413 1186132915 /nfs/dbraw/zinc/13/29/15/1186132915.db2.gz SUNYBUSUECJEEC-ZWOKBUDYSA-N 1 3 367.534 0.944 20 0 FCADHO C[C@@H](C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)N1CCCC1 ZINC001270491752 1188172353 /nfs/dbraw/zinc/17/23/53/1188172353.db2.gz XLEWSCBUQMTSDG-HNAYVOBHSA-N 1 3 364.490 0.400 20 0 FCADHO CCN1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550518745 1189810585 /nfs/dbraw/zinc/81/05/85/1189810585.db2.gz IIVPLWJCZVWMFN-HOTGVXAUSA-N 1 3 367.538 0.070 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994840 1190148767 /nfs/dbraw/zinc/14/87/67/1190148767.db2.gz FSHLWCSXWNKBNL-CVEARBPZSA-N 1 3 363.506 0.276 20 0 FCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1)C1CCC1 ZINC001087994840 1190148770 /nfs/dbraw/zinc/14/87/70/1190148770.db2.gz FSHLWCSXWNKBNL-CVEARBPZSA-N 1 3 363.506 0.276 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132858 1190902884 /nfs/dbraw/zinc/90/28/84/1190902884.db2.gz IKJVAIRZQJTDFO-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)CCC1 ZINC000986132858 1190902888 /nfs/dbraw/zinc/90/28/88/1190902888.db2.gz IKJVAIRZQJTDFO-ZACQAIPSSA-N 1 3 362.518 0.729 20 0 FCADHO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000262770708 1190930433 /nfs/dbraw/zinc/93/04/33/1190930433.db2.gz IRUCVXFISNJORW-UHFFFAOYSA-N 1 3 370.457 0.277 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257736 1190933517 /nfs/dbraw/zinc/93/35/17/1190933517.db2.gz BKJWJQLYEGKYTE-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)CCC1 ZINC000986257736 1190933518 /nfs/dbraw/zinc/93/35/18/1190933518.db2.gz BKJWJQLYEGKYTE-IKGGRYGDSA-N 1 3 362.518 0.729 20 0 FCADHO C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1)C1CC1 ZINC000986260578 1190936132 /nfs/dbraw/zinc/93/61/32/1190936132.db2.gz TVSXPXFWBVYSQU-ZIFCJYIRSA-N 1 3 362.518 0.729 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218083043 1224139612 /nfs/dbraw/zinc/13/96/12/1224139612.db2.gz NWQQLCIXKBNTRI-LLVKDONJSA-N 1 3 364.446 0.672 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001691581920 1193735389 /nfs/dbraw/zinc/73/53/89/1193735389.db2.gz IKNWFSNLFPINIS-BBWFWOEESA-N 1 3 352.523 0.975 20 0 FCADHO CC(C)[C@@H]1N(C(=O)CN(C)CC(C)(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655365 1193859994 /nfs/dbraw/zinc/85/99/94/1193859994.db2.gz HUNCOJLYUYGYOD-HBXLWWENSA-N 1 3 369.550 0.923 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(=O)NC)C2)[C@H]1C(C)C ZINC001105668047 1193946587 /nfs/dbraw/zinc/94/65/87/1193946587.db2.gz HCJNIPAHPYKXAZ-OHDICMOHSA-N 1 3 368.522 0.040 20 0 FCADHO CCOc1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218620848 1224183185 /nfs/dbraw/zinc/18/31/85/1224183185.db2.gz PACWBCFOPHPVMX-STQMWFEESA-N 1 3 364.450 0.261 20 0 FCADHO Nc1cn(C(=O)[C@@H](N)C2CCCCC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620332 1224183216 /nfs/dbraw/zinc/18/32/16/1224183216.db2.gz GQOLSVHBKDSGAO-SFHVURJKSA-N 1 3 361.490 0.851 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000553619407 1194010612 /nfs/dbraw/zinc/01/06/12/1194010612.db2.gz LVISOMZGWXZJLI-UHFFFAOYSA-N 1 3 368.522 0.545 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000553619407 1194010615 /nfs/dbraw/zinc/01/06/15/1194010615.db2.gz LVISOMZGWXZJLI-UHFFFAOYSA-N 1 3 368.522 0.545 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898594620 1194048626 /nfs/dbraw/zinc/04/86/26/1194048626.db2.gz PVPHBEPXNNGTQJ-MRXNPFEDSA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898594620 1194048633 /nfs/dbraw/zinc/04/86/33/1194048633.db2.gz PVPHBEPXNNGTQJ-MRXNPFEDSA-N 1 3 365.522 0.666 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696107 1224198438 /nfs/dbraw/zinc/19/84/38/1224198438.db2.gz NLALXENMESKDHB-LRDDRELGSA-N 1 3 362.478 0.238 20 0 FCADHO O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218744285 1224210403 /nfs/dbraw/zinc/21/04/03/1224210403.db2.gz DHZKDIUHGIXQGN-AWEZNQCLSA-N 1 3 356.430 0.371 20 0 FCADHO O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218736584 1224207857 /nfs/dbraw/zinc/20/78/57/1224207857.db2.gz MUQIURKULLYCNJ-CQSZACIVSA-N 1 3 356.430 0.371 20 0 FCADHO O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002952 1195138221 /nfs/dbraw/zinc/13/82/21/1195138221.db2.gz MZIFCTTWAJPJJI-IPMKNSEASA-N 1 3 365.518 0.696 20 0 FCADHO O=C(NCc1cccnc1)c1cccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218974224 1224276524 /nfs/dbraw/zinc/27/65/24/1224276524.db2.gz HSXTVSWQNQTWOI-KRWDZBQOSA-N 1 3 365.437 0.759 20 0 FCADHO O=C(Nc1ccc2c3c1cccc3C(=O)NC2=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219003403 1224285452 /nfs/dbraw/zinc/28/54/52/1224285452.db2.gz HPEDIAFBJIJSQB-BIBXISHDSA-N 1 3 364.405 0.861 20 0 FCADHO N[C@@H](C(=O)Nc1ccc2c3c1cccc3C(=O)NC2=O)C1CC[NH2+]CC1 ZINC001219005938 1224285854 /nfs/dbraw/zinc/28/58/54/1224285854.db2.gz YNAJGRBXAVBUEG-MRXNPFEDSA-N 1 3 352.394 0.989 20 0 FCADHO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)[C@@H](N)CN)cc(c32)C1=O ZINC001219019025 1224293822 /nfs/dbraw/zinc/29/38/22/1224293822.db2.gz OZTSRYNYTBXMPC-HNNXBMFYSA-N 1 3 369.425 0.222 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC3([NH3+])CC3)c2)CC1 ZINC000906693122 1195650181 /nfs/dbraw/zinc/65/01/81/1195650181.db2.gz HVDKEEQFXDIJMF-UHFFFAOYSA-N 1 3 359.474 0.763 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000910842939 1195849134 /nfs/dbraw/zinc/84/91/34/1195849134.db2.gz GSJHZGUWRAILHQ-UHFFFAOYSA-N 1 3 359.474 0.719 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000910829195 1195850551 /nfs/dbraw/zinc/85/05/51/1195850551.db2.gz OLQWIWPLNGTXBF-WBVHZDCISA-N 1 3 359.474 0.671 20 0 FCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000910977780 1195872688 /nfs/dbraw/zinc/87/26/88/1195872688.db2.gz KTMNJYOLRQWMFY-QZTJIDSGSA-N 1 3 358.486 0.966 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911270550 1195925606 /nfs/dbraw/zinc/92/56/06/1195925606.db2.gz YMTMGZAVCZYVCF-SJORKVTESA-N 1 3 367.538 0.025 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083655147 1196350283 /nfs/dbraw/zinc/35/02/83/1196350283.db2.gz ZAOLWDYTFYAULT-QGRXYFRJSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001083655147 1196350286 /nfs/dbraw/zinc/35/02/86/1196350286.db2.gz ZAOLWDYTFYAULT-QGRXYFRJSA-N 1 3 363.502 0.591 20 0 FCADHO NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001219087905 1224348986 /nfs/dbraw/zinc/34/89/86/1224348986.db2.gz KESGXWHKFWOIPW-AWEZNQCLSA-N 1 3 357.458 0.136 20 0 FCADHO N[C@H]1C[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000594736324 1196735966 /nfs/dbraw/zinc/73/59/66/1196735966.db2.gz AIIQCGGZJUTVLB-HKUYNNGSSA-N 1 3 358.486 0.905 20 0 FCADHO CC(C)N1CC[NH+](CCCC(=O)N(C)CC(=O)N2CCN(C)CC2)CC1 ZINC000913684458 1197109037 /nfs/dbraw/zinc/10/90/37/1197109037.db2.gz WIWBHABKTUDEHP-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000913996980 1197195763 /nfs/dbraw/zinc/19/57/63/1197195763.db2.gz DAGQCYLYEHLHGD-QGZVFWFLSA-N 1 3 367.538 0.565 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000913996980 1197195765 /nfs/dbraw/zinc/19/57/65/1197195765.db2.gz DAGQCYLYEHLHGD-QGZVFWFLSA-N 1 3 367.538 0.565 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236213 1224396980 /nfs/dbraw/zinc/39/69/80/1224396980.db2.gz OLGWIFCUVXCCNX-ZQIUZPCESA-N 1 3 359.474 0.891 20 0 FCADHO COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001219261027 1224406957 /nfs/dbraw/zinc/40/69/57/1224406957.db2.gz ZLIOQLRKECZVPH-CYBMUJFWSA-N 1 3 361.446 0.856 20 0 FCADHO COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001219262563 1224407335 /nfs/dbraw/zinc/40/73/35/1224407335.db2.gz ZEDHCINEYYGDFG-JSGCOSHPSA-N 1 3 359.430 0.479 20 0 FCADHO C[C@@]12CN(C(=O)Cc3c[nH]cn3)C[C@@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000992963057 1197635190 /nfs/dbraw/zinc/63/51/90/1197635190.db2.gz SAEPRHPIHPESLJ-SYNHAJSKSA-N 1 3 371.485 0.601 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274355 1197742776 /nfs/dbraw/zinc/74/27/76/1197742776.db2.gz HITDELSPWBGJTD-OKZBNKHCSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736385937 1197929341 /nfs/dbraw/zinc/92/93/41/1197929341.db2.gz CPEGFIZZSCNTDR-KBAYOESNSA-N 1 3 366.506 0.650 20 0 FCADHO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716144 1197946431 /nfs/dbraw/zinc/94/64/31/1197946431.db2.gz KIQXYZOUGXPBND-ICSRJNTNSA-N 1 3 374.529 0.479 20 0 FCADHO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000828716144 1197946438 /nfs/dbraw/zinc/94/64/38/1197946438.db2.gz KIQXYZOUGXPBND-ICSRJNTNSA-N 1 3 374.529 0.479 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)COC1(C)C ZINC001219539791 1224502633 /nfs/dbraw/zinc/50/26/33/1224502633.db2.gz AUHRWNKFZNOESO-TZQJONAQSA-N 1 3 374.441 0.384 20 0 FCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CCCNC(N)=O)CC21CC[NH2+]CC1 ZINC001219753084 1224595961 /nfs/dbraw/zinc/59/59/61/1224595961.db2.gz ALWDPTWJXCHDBS-DLBZAZTESA-N 1 3 373.501 0.953 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219787936 1224613774 /nfs/dbraw/zinc/61/37/74/1224613774.db2.gz NMFUBCWEUGFVQW-ZOBUZTSGSA-N 1 3 363.506 0.592 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001109979925 1200664355 /nfs/dbraw/zinc/66/43/55/1200664355.db2.gz FQIMJRVVTDZMRM-IKGGRYGDSA-N 1 3 366.506 0.299 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219847286 1224651338 /nfs/dbraw/zinc/65/13/38/1224651338.db2.gz BUWNJLDCKSEHRG-CWLKWCNXSA-N 1 3 357.454 0.704 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219848107 1224652312 /nfs/dbraw/zinc/65/23/12/1224652312.db2.gz WQGIRZMZZRKWNB-FABMQREXSA-N 1 3 356.470 0.348 20 0 FCADHO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894514 1201428552 /nfs/dbraw/zinc/42/85/52/1201428552.db2.gz IGPMJHIGGQMSCL-XHSDSOJGSA-N 1 3 364.494 0.265 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001130106985 1201501971 /nfs/dbraw/zinc/50/19/71/1201501971.db2.gz BXXNKUWFCGIPAJ-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001130107556 1201502822 /nfs/dbraw/zinc/50/28/22/1201502822.db2.gz QXHMNAODCKOKFT-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO COCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137108 1201513972 /nfs/dbraw/zinc/51/39/72/1201513972.db2.gz IWXMTVXOKWDLBZ-SJORKVTESA-N 1 3 366.510 0.777 20 0 FCADHO CN(CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919930 1224681272 /nfs/dbraw/zinc/68/12/72/1224681272.db2.gz UETFFMNHQPPUAB-KURKYZTESA-N 1 3 362.474 0.638 20 0 FCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033790 1224732904 /nfs/dbraw/zinc/73/29/04/1224732904.db2.gz IVWKFBGNOAHGDT-VPOUWSJSSA-N 1 3 363.502 0.757 20 0 FCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033790 1224732906 /nfs/dbraw/zinc/73/29/06/1224732906.db2.gz IVWKFBGNOAHGDT-VPOUWSJSSA-N 1 3 363.502 0.757 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130662345 1202750257 /nfs/dbraw/zinc/75/02/57/1202750257.db2.gz TULVSQZSQWDUKC-CGTJXYLNSA-N 1 3 365.522 0.927 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001131008255 1202842544 /nfs/dbraw/zinc/84/25/44/1202842544.db2.gz ZATACENXJHJCOL-JFIYKMOQSA-N 1 3 363.506 0.681 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001131115666 1202864424 /nfs/dbraw/zinc/86/44/24/1202864424.db2.gz SRUSWVCJMOXMRV-GVDBMIGSSA-N 1 3 363.506 0.682 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001131120895 1202865887 /nfs/dbraw/zinc/86/58/87/1202865887.db2.gz BSVIXBPAORIACB-IAGOWNOFSA-N 1 3 363.506 0.825 20 0 FCADHO CN(CCCN(C)CC(=O)NC1CCC2(CC1)OCCO2)CC[NH+](C)C ZINC000808781576 1202898280 /nfs/dbraw/zinc/89/82/80/1202898280.db2.gz JCTGBHCJTRHUSX-UHFFFAOYSA-N 1 3 370.538 0.604 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001131512245 1202909368 /nfs/dbraw/zinc/90/93/68/1202909368.db2.gz VHSUJZNVMNCFKC-APWZRJJASA-N 1 3 366.506 0.202 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001131511927 1202909556 /nfs/dbraw/zinc/90/95/56/1202909556.db2.gz DEYPGXQDFLDEEH-WBVHZDCISA-N 1 3 366.506 0.202 20 0 FCADHO Cn1nncc1CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564711 1202914847 /nfs/dbraw/zinc/91/48/47/1202914847.db2.gz RLRWWRPJSRWVMQ-AEFFLSMTSA-N 1 3 364.494 0.253 20 0 FCADHO CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131582818 1202917524 /nfs/dbraw/zinc/91/75/24/1202917524.db2.gz BGFGGGQYLGOJAS-APWZRJJASA-N 1 3 368.522 0.450 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCNC2=O)CC1 ZINC001131609005 1202920462 /nfs/dbraw/zinc/92/04/62/1202920462.db2.gz UKGMVMFKAGMZHS-NUJGCVRESA-N 1 3 366.506 0.201 20 0 FCADHO NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001131608648 1202920638 /nfs/dbraw/zinc/92/06/38/1202920638.db2.gz JYFDRJZKEFWLOR-APWZRJJASA-N 1 3 366.506 0.333 20 0 FCADHO CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)c1 ZINC001220120600 1224776900 /nfs/dbraw/zinc/77/69/00/1224776900.db2.gz IZJLEELRPGEPHW-VFVRVIDISA-N 1 3 359.430 0.620 20 0 FCADHO CCOc1ccc(C[C@H](N)C(=O)NCc2ncn3c2C[NH2+]CCC3)cc1 ZINC001220310582 1224825224 /nfs/dbraw/zinc/82/52/24/1224825224.db2.gz CAGDYVMLZSMGHI-INIZCTEOSA-N 1 3 357.458 0.961 20 0 FCADHO C[NH2+][C@H](C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@@H](C)O ZINC001220358775 1224842234 /nfs/dbraw/zinc/84/22/34/1224842234.db2.gz XOOCECXFVPLRDD-DZUCGIPZSA-N 1 3 363.458 0.531 20 0 FCADHO C[C@@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)N1CCCC1 ZINC001273450376 1204848805 /nfs/dbraw/zinc/84/88/05/1204848805.db2.gz OYPMLVCOROENDY-RZQQEMMASA-N 1 3 362.518 0.872 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2NCc2cncn2C)cn1 ZINC001087009441 1204897040 /nfs/dbraw/zinc/89/70/40/1204897040.db2.gz GNOASJVQBJXUJZ-FHLIZLRMSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cncn2C)cn1 ZINC001087009441 1204897042 /nfs/dbraw/zinc/89/70/42/1204897042.db2.gz GNOASJVQBJXUJZ-FHLIZLRMSA-N 1 3 371.489 0.190 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001087059384 1204944839 /nfs/dbraw/zinc/94/48/39/1204944839.db2.gz CEOCENQPFSMFJG-JFIYKMOQSA-N 1 3 363.506 0.713 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087060935 1204946600 /nfs/dbraw/zinc/94/66/00/1204946600.db2.gz GKOSPTYNVJEIJW-NXHRZFHOSA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087083639 1204970069 /nfs/dbraw/zinc/97/00/69/1204970069.db2.gz NQEGGIZXAIWVCO-JFIYKMOQSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(OC)no1 ZINC001087100993 1204997354 /nfs/dbraw/zinc/99/73/54/1204997354.db2.gz OISFTCSIHHBLLO-IIAWOOMASA-N 1 3 366.462 0.588 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(OC)no1 ZINC001087100993 1204997365 /nfs/dbraw/zinc/99/73/65/1204997365.db2.gz OISFTCSIHHBLLO-IIAWOOMASA-N 1 3 366.462 0.588 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001087096521 1205004989 /nfs/dbraw/zinc/00/49/89/1205004989.db2.gz QLJLTGHAJQGDSC-BRWVUGGUSA-N 1 3 363.506 0.715 20 0 FCADHO CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001087096521 1205004994 /nfs/dbraw/zinc/00/49/94/1205004994.db2.gz QLJLTGHAJQGDSC-BRWVUGGUSA-N 1 3 363.506 0.715 20 0 FCADHO CCCn1c(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc(=O)n(CCC)c1=O ZINC001220424728 1224867164 /nfs/dbraw/zinc/86/71/64/1224867164.db2.gz RBKVWPVCAIQEJO-AWEZNQCLSA-N 1 3 367.494 0.828 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1)N1CCCC1 ZINC001091909925 1205069021 /nfs/dbraw/zinc/06/90/21/1205069021.db2.gz DOBHLFZVLOOOPG-GUXCAODWSA-N 1 3 362.518 0.920 20 0 FCADHO CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1)N1CCCC1 ZINC001091909925 1205069024 /nfs/dbraw/zinc/06/90/24/1205069024.db2.gz DOBHLFZVLOOOPG-GUXCAODWSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012885 1205113553 /nfs/dbraw/zinc/11/35/53/1205113553.db2.gz DLGHNTCZPWMHON-HLIPFELVSA-N 1 3 362.518 0.731 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@@]3(C)C2)C1 ZINC001092012885 1205113556 /nfs/dbraw/zinc/11/35/56/1205113556.db2.gz DLGHNTCZPWMHON-HLIPFELVSA-N 1 3 362.518 0.731 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092050329 1205126285 /nfs/dbraw/zinc/12/62/85/1205126285.db2.gz RBSCJWXOBHLVNY-SIIHOXLZSA-N 1 3 355.446 0.512 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092050329 1205126287 /nfs/dbraw/zinc/12/62/87/1205126287.db2.gz RBSCJWXOBHLVNY-SIIHOXLZSA-N 1 3 355.446 0.512 20 0 FCADHO COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474021 1206233558 /nfs/dbraw/zinc/23/35/58/1206233558.db2.gz HGZGKOALDOOIBP-MXPCJUPISA-N 1 3 363.502 0.857 20 0 FCADHO COCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474021 1206233560 /nfs/dbraw/zinc/23/35/60/1206233560.db2.gz HGZGKOALDOOIBP-MXPCJUPISA-N 1 3 363.502 0.857 20 0 FCADHO O=C(CN1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12)N1CCC1 ZINC001094560273 1206238698 /nfs/dbraw/zinc/23/86/98/1206238698.db2.gz PNXVWUIARGVJRG-VQIMIIECSA-N 1 3 360.502 0.675 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCCC2)CC3)C1 ZINC001094578390 1206240848 /nfs/dbraw/zinc/24/08/48/1206240848.db2.gz UUDVXUFGWAKTEM-MBOZVWFJSA-N 1 3 362.518 0.921 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCCC2)CC3)C1 ZINC001094578390 1206240850 /nfs/dbraw/zinc/24/08/50/1206240850.db2.gz UUDVXUFGWAKTEM-MBOZVWFJSA-N 1 3 362.518 0.921 20 0 FCADHO C[C@H]1C[C@@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001178565269 1206360260 /nfs/dbraw/zinc/36/02/60/1206360260.db2.gz VYOVNFHYRAWDDS-DISWMANOSA-N 1 3 371.522 0.938 20 0 FCADHO O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220623184 1224972653 /nfs/dbraw/zinc/97/26/53/1224972653.db2.gz YBIVGVWLHHSRKL-HNNXBMFYSA-N 1 3 366.469 0.524 20 0 FCADHO CCOCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610891 1207467065 /nfs/dbraw/zinc/46/70/65/1207467065.db2.gz SLKAQQUHHCICJN-VVJOJPPRSA-N 1 3 363.502 0.809 20 0 FCADHO CCOCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188610891 1207467066 /nfs/dbraw/zinc/46/70/66/1207467066.db2.gz SLKAQQUHHCICJN-VVJOJPPRSA-N 1 3 363.502 0.809 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969768 1207493252 /nfs/dbraw/zinc/49/32/52/1207493252.db2.gz BFJRRZXJVNMNNW-DLBZAZTESA-N 1 3 366.506 0.014 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCNC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001190246338 1207667668 /nfs/dbraw/zinc/66/76/68/1207667668.db2.gz ATONQWFMAFFFJK-IXDOHACOSA-N 1 3 367.538 0.957 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCNC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001190246338 1207667671 /nfs/dbraw/zinc/66/76/71/1207667671.db2.gz ATONQWFMAFFFJK-IXDOHACOSA-N 1 3 367.538 0.957 20 0 FCADHO CN1CCN(c2cncc(C(=O)N3CC([N@H+](C)[C@H]4CCOC4)C3)c2)CC1 ZINC001193945574 1207904531 /nfs/dbraw/zinc/90/45/31/1207904531.db2.gz SELZHWIEZVOPCJ-INIZCTEOSA-N 1 3 359.474 0.379 20 0 FCADHO CN1CCN(c2cncc(C(=O)N3CC([N@@H+](C)[C@H]4CCOC4)C3)c2)CC1 ZINC001193945574 1207904536 /nfs/dbraw/zinc/90/45/36/1207904536.db2.gz SELZHWIEZVOPCJ-INIZCTEOSA-N 1 3 359.474 0.379 20 0 FCADHO CC(C)OCCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290377 1207935460 /nfs/dbraw/zinc/93/54/60/1207935460.db2.gz ULRKJKQQADJFKG-QZTJIDSGSA-N 1 3 364.490 0.884 20 0 FCADHO CC(C)(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194831425 1207977827 /nfs/dbraw/zinc/97/78/27/1207977827.db2.gz CZBCCVNERCPXIO-LUJDSPJVSA-N 1 3 365.518 0.837 20 0 FCADHO CC(C)(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001194831425 1207977829 /nfs/dbraw/zinc/97/78/29/1207977829.db2.gz CZBCCVNERCPXIO-LUJDSPJVSA-N 1 3 365.518 0.837 20 0 FCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc(=O)n1OCc1ccccc1 ZINC001196463886 1208083763 /nfs/dbraw/zinc/08/37/63/1208083763.db2.gz GABJGOLQUNOFKV-UHFFFAOYSA-N 1 3 357.414 0.552 20 0 FCADHO Cc1ccccc1CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764549 1225060326 /nfs/dbraw/zinc/06/03/26/1225060326.db2.gz OOLISNKVIAFLPF-MOPGFXCFSA-N 1 3 363.502 0.667 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279172 1208756149 /nfs/dbraw/zinc/75/61/49/1208756149.db2.gz JMXKJFLDESHGMC-YESZJQIVSA-N 1 3 364.534 0.975 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)CC(C)(C)C ZINC001489279172 1208756152 /nfs/dbraw/zinc/75/61/52/1208756152.db2.gz JMXKJFLDESHGMC-YESZJQIVSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000851883631 1209523304 /nfs/dbraw/zinc/52/33/04/1209523304.db2.gz WSZLQKQAEMYIRJ-YVWKXTFCSA-N 1 3 360.502 0.317 20 0 FCADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000852748987 1209562782 /nfs/dbraw/zinc/56/27/82/1209562782.db2.gz FKQFPUSDTGANKE-WBVHZDCISA-N 1 3 366.506 0.997 20 0 FCADHO CC1(C)OCc2cc(C[C@H](N)C(=O)NCCO[C@H]3CC[NH2+]C3)ccc2O1 ZINC001220936251 1225148877 /nfs/dbraw/zinc/14/88/77/1225148877.db2.gz DOECZRXPFWQEMZ-HOTGVXAUSA-N 1 3 363.458 0.696 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NOCCN3CCCC3=O)CC2)CC1 ZINC000856044297 1209693001 /nfs/dbraw/zinc/69/30/01/1209693001.db2.gz GYMZJBWVSAZKEC-UHFFFAOYSA-N 1 3 366.506 0.853 20 0 FCADHO Cc1cc2c(cn1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001220960509 1225160428 /nfs/dbraw/zinc/16/04/28/1225160428.db2.gz QHLXVKZBVLXVAB-KSZLIROESA-N 1 3 373.501 0.941 20 0 FCADHO COc1ccccc1Cn1cncc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220968854 1225165350 /nfs/dbraw/zinc/16/53/50/1225165350.db2.gz GFRPJHKNMITWQG-MRXNPFEDSA-N 1 3 355.442 0.365 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000861741327 1209878414 /nfs/dbraw/zinc/87/84/14/1209878414.db2.gz ZXZFLSYMONUZRT-YOEHRIQHSA-N 1 3 364.490 1.000 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1(c2cnccn2)CC1 ZINC001220992236 1225177709 /nfs/dbraw/zinc/17/77/09/1225177709.db2.gz JGBBKHTYOGNZGO-GJZGRUSLSA-N 1 3 374.489 0.072 20 0 FCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221010183 1225184999 /nfs/dbraw/zinc/18/49/99/1225184999.db2.gz AXTRPZMCCCCBCQ-ROUUACIJSA-N 1 3 372.513 0.734 20 0 FCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221010183 1225185003 /nfs/dbraw/zinc/18/50/03/1225185003.db2.gz AXTRPZMCCCCBCQ-ROUUACIJSA-N 1 3 372.513 0.734 20 0 FCADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1COC2(CNC2)CN1 ZINC001221030645 1225193153 /nfs/dbraw/zinc/19/31/53/1225193153.db2.gz HHBYPCTVTZRSDT-DLBZAZTESA-N 1 3 362.449 0.313 20 0 FCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873100711 1210233132 /nfs/dbraw/zinc/23/31/32/1210233132.db2.gz BZJZUQFKUVFCMW-QGZVFWFLSA-N 1 3 374.485 0.962 20 0 FCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)n1 ZINC000873102883 1210234497 /nfs/dbraw/zinc/23/44/97/1210234497.db2.gz VFGXIDWUCRWTIB-INIZCTEOSA-N 1 3 370.457 0.214 20 0 FCADHO COc1cccc(C2(NC(=O)[C@@H](N)Cc3cncn3C)CC[NH2+]CC2)c1 ZINC001221094198 1225219816 /nfs/dbraw/zinc/21/98/16/1225219816.db2.gz LJUAZIIJQLDSBU-KRWDZBQOSA-N 1 3 357.458 0.694 20 0 FCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001221113872 1225226759 /nfs/dbraw/zinc/22/67/59/1225226759.db2.gz DZMHCVUIJYCMSK-OXJNMPFZSA-N 1 3 358.486 0.978 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659708 1210682801 /nfs/dbraw/zinc/68/28/01/1210682801.db2.gz PYYURFQWVMNXFA-QGZVFWFLSA-N 1 3 362.518 0.921 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659708 1210682804 /nfs/dbraw/zinc/68/28/04/1210682804.db2.gz PYYURFQWVMNXFA-QGZVFWFLSA-N 1 3 362.518 0.921 20 0 FCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883727927 1210686101 /nfs/dbraw/zinc/68/61/01/1210686101.db2.gz FWCIFCQQTBHROI-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883727927 1210686105 /nfs/dbraw/zinc/68/61/05/1210686105.db2.gz FWCIFCQQTBHROI-INIZCTEOSA-N 1 3 365.522 0.986 20 0 FCADHO COC(=O)N[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000884124148 1210716119 /nfs/dbraw/zinc/71/61/19/1210716119.db2.gz ORAMVKVCHVXQIC-HNNXBMFYSA-N 1 3 367.494 0.685 20 0 FCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000884560209 1210752198 /nfs/dbraw/zinc/75/21/98/1210752198.db2.gz QPZPBEQIBBOEAE-DOXZYTNZSA-N 1 3 366.506 0.189 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000884566400 1210752570 /nfs/dbraw/zinc/75/25/70/1210752570.db2.gz IZFDSAHJQAEUMS-ROUUACIJSA-N 1 3 370.497 0.555 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884576424 1210754450 /nfs/dbraw/zinc/75/44/50/1210754450.db2.gz HIIAFXOLAFHVBK-AEFFLSMTSA-N 1 3 360.502 0.911 20 0 FCADHO O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631546 1210767543 /nfs/dbraw/zinc/76/75/43/1210767543.db2.gz NTGPJPHXGBCUHE-QGZVFWFLSA-N 1 3 356.470 0.549 20 0 FCADHO CN(CCCF)C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000884727225 1210790344 /nfs/dbraw/zinc/79/03/44/1210790344.db2.gz OPTJLYQMZWDTRE-UHFFFAOYSA-N 1 3 364.465 0.914 20 0 FCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884838229 1210800814 /nfs/dbraw/zinc/80/08/14/1210800814.db2.gz FFAIKDQUSIMFQF-INIZCTEOSA-N 1 3 358.486 0.938 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885150412 1210812684 /nfs/dbraw/zinc/81/26/84/1210812684.db2.gz VRFFSLNTLLSEJB-HZPDHXFCSA-N 1 3 366.506 0.202 20 0 FCADHO CCN(C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000886990736 1210841558 /nfs/dbraw/zinc/84/15/58/1210841558.db2.gz STXWHEAVFVNODE-SFHVURJKSA-N 1 3 373.501 0.977 20 0 FCADHO CCN(C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000887067934 1210845107 /nfs/dbraw/zinc/84/51/07/1210845107.db2.gz BYZAPWITFODNBW-ROUUACIJSA-N 1 3 358.486 0.930 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000889805654 1210954661 /nfs/dbraw/zinc/95/46/61/1210954661.db2.gz QVYVZHLHXOMPLF-MAUKXSAKSA-N 1 3 373.501 0.976 20 0 FCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000889805654 1210954663 /nfs/dbraw/zinc/95/46/63/1210954663.db2.gz QVYVZHLHXOMPLF-MAUKXSAKSA-N 1 3 373.501 0.976 20 0 FCADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068638 1211173429 /nfs/dbraw/zinc/17/34/29/1211173429.db2.gz JTKWMASBEHORPG-QUCCMNQESA-N 1 3 366.550 0.973 20 0 FCADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275068638 1211173433 /nfs/dbraw/zinc/17/34/33/1211173433.db2.gz JTKWMASBEHORPG-QUCCMNQESA-N 1 3 366.550 0.973 20 0 FCADHO COCCOCN1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001275171123 1211188174 /nfs/dbraw/zinc/18/81/74/1211188174.db2.gz DRZYVNQOLMOSLL-KRWDZBQOSA-N 1 3 368.522 0.167 20 0 FCADHO COCCOCN1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001275171123 1211188176 /nfs/dbraw/zinc/18/81/76/1211188176.db2.gz DRZYVNQOLMOSLL-KRWDZBQOSA-N 1 3 368.522 0.167 20 0 FCADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172260 1211188667 /nfs/dbraw/zinc/18/86/67/1211188667.db2.gz UCVKJNHPMXCKMD-UAGQMJEPSA-N 1 3 359.474 0.066 20 0 FCADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172260 1211188670 /nfs/dbraw/zinc/18/86/70/1211188670.db2.gz UCVKJNHPMXCKMD-UAGQMJEPSA-N 1 3 359.474 0.066 20 0 FCADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325811 1211215543 /nfs/dbraw/zinc/21/55/43/1211215543.db2.gz REVNJMKMANAWFH-HBFSDRIKSA-N 1 3 364.534 0.583 20 0 FCADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325811 1211215546 /nfs/dbraw/zinc/21/55/46/1211215546.db2.gz REVNJMKMANAWFH-HBFSDRIKSA-N 1 3 364.534 0.583 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803945 1211286669 /nfs/dbraw/zinc/28/66/69/1211286669.db2.gz NXCIHFHXURRZBT-AZUAARDMSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](C[C@@H]4CCCO4)C3)C2=O)CC1 ZINC001275803945 1211286672 /nfs/dbraw/zinc/28/66/72/1211286672.db2.gz NXCIHFHXURRZBT-AZUAARDMSA-N 1 3 364.534 0.727 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCCO2)CC1 ZINC001275804538 1211287097 /nfs/dbraw/zinc/28/70/97/1211287097.db2.gz SLRQESNHTUYPKM-GUDVDZBRSA-N 1 3 364.534 0.868 20 0 FCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H]2CCCO2)CC1 ZINC001275804538 1211287099 /nfs/dbraw/zinc/28/70/99/1211287099.db2.gz SLRQESNHTUYPKM-GUDVDZBRSA-N 1 3 364.534 0.868 20 0 FCADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C[C@H](O)C(=O)OC(C)(C)C)CC2 ZINC001276820137 1225290413 /nfs/dbraw/zinc/29/04/13/1225290413.db2.gz YTKFXLGRSZNIPX-GJZGRUSLSA-N 1 3 369.506 0.469 20 0 FCADHO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221275345 1225287887 /nfs/dbraw/zinc/28/78/87/1225287887.db2.gz AYCNAYOECIHHMA-MSOLQXFVSA-N 1 3 370.497 0.535 20 0 FCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000926386958 1211543766 /nfs/dbraw/zinc/54/37/66/1211543766.db2.gz QVSKVCGMTBVCLU-CEXWTWQISA-N 1 3 370.497 0.917 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221398766 1225305847 /nfs/dbraw/zinc/30/58/47/1225305847.db2.gz 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CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@@]2(C)C1)N(C)C ZINC001101277448 1220263612 /nfs/dbraw/zinc/26/36/12/1220263612.db2.gz IHFMDVWVUHUVPD-MDZRGWNJSA-N 1 3 367.538 0.815 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478296 1220367568 /nfs/dbraw/zinc/36/75/68/1220367568.db2.gz IGXNMSLNWGWXSI-APWZRJJASA-N 1 3 367.538 0.815 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478296 1220367570 /nfs/dbraw/zinc/36/75/70/1220367570.db2.gz IGXNMSLNWGWXSI-APWZRJJASA-N 1 3 367.538 0.815 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478397 1220368306 /nfs/dbraw/zinc/36/83/06/1220368306.db2.gz MDBQWDYAFRRINH-MDZRGWNJSA-N 1 3 360.506 0.886 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101478397 1220368310 /nfs/dbraw/zinc/36/83/10/1220368310.db2.gz MDBQWDYAFRRINH-MDZRGWNJSA-N 1 3 360.506 0.886 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071264 1220486202 /nfs/dbraw/zinc/48/62/02/1220486202.db2.gz IPFQPHNDTGLNMF-ZACQAIPSSA-N 1 3 369.554 0.964 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071264 1220486204 /nfs/dbraw/zinc/48/62/04/1220486204.db2.gz IPFQPHNDTGLNMF-ZACQAIPSSA-N 1 3 369.554 0.964 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101096 1220495673 /nfs/dbraw/zinc/49/56/73/1220495673.db2.gz MSNALELEEDFEOF-HZSPNIEDSA-N 1 3 369.510 0.245 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001102101096 1220495675 /nfs/dbraw/zinc/49/56/75/1220495675.db2.gz MSNALELEEDFEOF-HZSPNIEDSA-N 1 3 369.510 0.245 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368321 1220595652 /nfs/dbraw/zinc/59/56/52/1220595652.db2.gz PODYQYVYPNHRJB-IXDOHACOSA-N 1 3 367.538 0.862 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368321 1220595655 /nfs/dbraw/zinc/59/56/55/1220595655.db2.gz PODYQYVYPNHRJB-IXDOHACOSA-N 1 3 367.538 0.862 20 0 FCADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486735 1220650698 /nfs/dbraw/zinc/65/06/98/1220650698.db2.gz SKTLJEPPNXLPKI-BFYDXBDKSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511226 1220670431 /nfs/dbraw/zinc/67/04/31/1220670431.db2.gz NVMPGXCBROKOKS-IAGOWNOFSA-N 1 3 368.522 0.261 20 0 FCADHO CCN(C(=O)CN1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1)C1CC1 ZINC001102514420 1220673369 /nfs/dbraw/zinc/67/33/69/1220673369.db2.gz WVTBBDDMSGNDCQ-HZPDHXFCSA-N 1 3 362.518 0.777 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102532188 1220684884 /nfs/dbraw/zinc/68/48/84/1220684884.db2.gz ZAUGKSYJENEJDR-BPLDGKMQSA-N 1 3 357.462 0.724 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102532188 1220684887 /nfs/dbraw/zinc/68/48/87/1220684887.db2.gz ZAUGKSYJENEJDR-BPLDGKMQSA-N 1 3 357.462 0.724 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229202528 1225988381 /nfs/dbraw/zinc/98/83/81/1225988381.db2.gz VRNAUWLBTZWMDH-RRFJBIMHSA-N 1 3 369.510 0.579 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102977178 1220815799 /nfs/dbraw/zinc/81/57/99/1220815799.db2.gz PTBQLKGOSVSXSM-RBSFLKMASA-N 1 3 367.494 0.128 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001102977178 1220815801 /nfs/dbraw/zinc/81/58/01/1220815801.db2.gz PTBQLKGOSVSXSM-RBSFLKMASA-N 1 3 367.494 0.128 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001103156485 1220841917 /nfs/dbraw/zinc/84/19/17/1220841917.db2.gz GFSUCENWPJVSPS-ZIAGYGMSSA-N 1 3 369.510 0.247 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001103156485 1220841919 /nfs/dbraw/zinc/84/19/19/1220841919.db2.gz GFSUCENWPJVSPS-ZIAGYGMSSA-N 1 3 369.510 0.247 20 0 FCADHO CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378795 1220873287 /nfs/dbraw/zinc/87/32/87/1220873287.db2.gz KZKNOLWBRPNCLQ-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103613922 1220913703 /nfs/dbraw/zinc/91/37/03/1220913703.db2.gz BHRRKSLKMHIDPV-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103613922 1220913704 /nfs/dbraw/zinc/91/37/04/1220913704.db2.gz BHRRKSLKMHIDPV-IAGOWNOFSA-N 1 3 370.538 0.555 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001229504668 1226015128 /nfs/dbraw/zinc/01/51/28/1226015128.db2.gz XXHLMKFGVGNWIT-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001229504668 1226015131 /nfs/dbraw/zinc/01/51/31/1226015131.db2.gz XXHLMKFGVGNWIT-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO COCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811685 1221123869 /nfs/dbraw/zinc/12/38/69/1221123869.db2.gz KZDULUBZFDFAHA-OXNJRSESSA-N 1 3 363.502 0.857 20 0 FCADHO COCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001111811685 1221123875 /nfs/dbraw/zinc/12/38/75/1221123875.db2.gz KZDULUBZFDFAHA-OXNJRSESSA-N 1 3 363.502 0.857 20 0 FCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001117023003 1221434814 /nfs/dbraw/zinc/43/48/14/1221434814.db2.gz UWJFCBQNMYSJFQ-UHFFFAOYSA-N 1 3 367.538 0.119 20 0 FCADHO N[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCCCC1 ZINC001118205790 1221733416 /nfs/dbraw/zinc/73/34/16/1221733416.db2.gz QWPOTPSWIYAHMB-ULQDDVLXSA-N 1 3 363.506 0.641 20 0 FCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119300821 1221898605 /nfs/dbraw/zinc/89/86/05/1221898605.db2.gz HVEOBAUQNLDXJL-GOSISDBHSA-N 1 3 374.533 0.968 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001120676219 1222114776 /nfs/dbraw/zinc/11/47/76/1222114776.db2.gz VQOQWBHYUNYKHV-BRWVUGGUSA-N 1 3 365.522 0.761 20 0 FCADHO CC(CC(=O)N[C@H]1CN2CCC1CC2)CC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001120774388 1222120044 /nfs/dbraw/zinc/12/00/44/1222120044.db2.gz OHCUDPOVFQVLBA-ROUUACIJSA-N 1 3 362.518 0.824 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nn(C)c2ccccc12 ZINC001120955400 1222133697 /nfs/dbraw/zinc/13/36/97/1222133697.db2.gz UBIZZOTYVWKWQB-UHFFFAOYSA-N 1 3 360.462 0.464 20 0 FCADHO C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123693428 1222349688 /nfs/dbraw/zinc/34/96/88/1222349688.db2.gz ABNSLPQDDCBJCM-KZNAEPCWSA-N 1 3 367.538 0.375 20 0 FCADHO C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001123693428 1222349692 /nfs/dbraw/zinc/34/96/92/1222349692.db2.gz ABNSLPQDDCBJCM-KZNAEPCWSA-N 1 3 367.538 0.375 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC001231700477 1226117414 /nfs/dbraw/zinc/11/74/14/1226117414.db2.gz ILACIDODJJXMPP-UHFFFAOYSA-N 1 3 359.430 0.212 20 0 FCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC001231700477 1226117419 /nfs/dbraw/zinc/11/74/19/1226117419.db2.gz ILACIDODJJXMPP-UHFFFAOYSA-N 1 3 359.430 0.212 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000839287805 1222719525 /nfs/dbraw/zinc/71/95/25/1222719525.db2.gz TWMOKZOFCGANTL-UHFFFAOYSA-N 1 3 364.494 0.068 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)cc2)CC1 ZINC000841158951 1222810877 /nfs/dbraw/zinc/81/08/77/1222810877.db2.gz WPIQCMKKVQWCFJ-MRXNPFEDSA-N 1 3 373.501 0.964 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000841183022 1222812519 /nfs/dbraw/zinc/81/25/19/1222812519.db2.gz QPZPBBIWVCRPAH-QGZVFWFLSA-N 1 3 361.490 0.867 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000841206772 1222813221 /nfs/dbraw/zinc/81/32/21/1222813221.db2.gz CSXRZKZXOPIJGB-HOTGVXAUSA-N 1 3 373.501 0.963 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842274687 1222846028 /nfs/dbraw/zinc/84/60/28/1222846028.db2.gz YGDXDDJQYKLIHM-ROUUACIJSA-N 1 3 360.502 0.863 20 0 FCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842274685 1222846196 /nfs/dbraw/zinc/84/61/96/1222846196.db2.gz YGDXDDJQYKLIHM-MSOLQXFVSA-N 1 3 360.502 0.863 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843354333 1222872914 /nfs/dbraw/zinc/87/29/14/1222872914.db2.gz ZCCHPXFJMZLRAS-KGLIPLIRSA-N 1 3 365.478 0.722 20 0 FCADHO Cc1ccc([C@H](C(=O)N(C)C[C@@H]2CNCCO2)N2CCC[NH2+]CC2)cc1 ZINC001157720579 1223081321 /nfs/dbraw/zinc/08/13/21/1223081321.db2.gz MCCARHSXGRMXLQ-RBUKOAKNSA-N 1 3 360.502 0.778 20 0 FCADHO CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[C@](C)(CO)C1 ZINC001157926514 1223083804 /nfs/dbraw/zinc/08/38/04/1223083804.db2.gz QBXMGBAHKKOELL-DOXZYTNZSA-N 1 3 368.522 0.443 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319559 1223094437 /nfs/dbraw/zinc/09/44/37/1223094437.db2.gz IEXNKNDRBDEYPR-SJORKVTESA-N 1 3 354.454 0.900 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319559 1223094441 /nfs/dbraw/zinc/09/44/41/1223094441.db2.gz IEXNKNDRBDEYPR-SJORKVTESA-N 1 3 354.454 0.900 20 0 FCADHO CN1CCC(N(c2cc(N3CCOCC3)ncn2)C2CC[NH2+]CC2)CC1 ZINC001158575663 1223102821 /nfs/dbraw/zinc/10/28/21/1223102821.db2.gz QCYAKQCIWGSJOR-UHFFFAOYSA-N 1 3 360.506 0.966 20 0 FCADHO N[C@H](C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)C1CC[NH2+]CC1 ZINC001158736808 1223106585 /nfs/dbraw/zinc/10/65/85/1223106585.db2.gz KCSMPSIAGQWXSX-XSLAGTTESA-N 1 3 360.458 0.546 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159135060 1223118560 /nfs/dbraw/zinc/11/85/60/1223118560.db2.gz RCNDRVRAXJIYQT-LPHOPBHVSA-N 1 3 359.474 0.631 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001159610836 1223131205 /nfs/dbraw/zinc/13/12/05/1223131205.db2.gz UYFSPCDXDIKZCQ-MLGOLLRUSA-N 1 3 374.489 0.246 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159664060 1223133092 /nfs/dbraw/zinc/13/30/92/1223133092.db2.gz VILDWLXITAXYOJ-IJEWVQPXSA-N 1 3 364.446 0.035 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159701501 1223134463 /nfs/dbraw/zinc/13/44/63/1223134463.db2.gz YDLZYBLOCPLDPC-IRXDYDNUSA-N 1 3 358.486 0.965 20 0 FCADHO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001159967122 1223141307 /nfs/dbraw/zinc/14/13/07/1223141307.db2.gz LDEIOXBBKAXMMO-COXVUDFISA-N 1 3 372.444 0.308 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129657 1223146375 /nfs/dbraw/zinc/14/63/75/1223146375.db2.gz ZPMQKLJKCOQRCW-OAHLLOKOSA-N 1 3 370.457 0.678 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129657 1223146377 /nfs/dbraw/zinc/14/63/77/1223146377.db2.gz ZPMQKLJKCOQRCW-OAHLLOKOSA-N 1 3 370.457 0.678 20 0 FCADHO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160271710 1223152616 /nfs/dbraw/zinc/15/26/16/1223152616.db2.gz XBOHLGYAQWRGAY-CVEARBPZSA-N 1 3 368.522 0.566 20 0 FCADHO C[C@H]1C(=O)NCCN1C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160450318 1223160875 /nfs/dbraw/zinc/16/08/75/1223160875.db2.gz CZXJWTUTVLYAGS-YRISNDGFSA-N 1 3 370.497 0.835 20 0 FCADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160613052 1223166728 /nfs/dbraw/zinc/16/67/28/1223166728.db2.gz MCIOBBJUHIYEBA-IRXDYDNUSA-N 1 3 370.497 0.664 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)[C@H]3CC[C@]4(C3)CNCCO4)C[C@H]1C[NH2+]CC2 ZINC001160810578 1223174715 /nfs/dbraw/zinc/17/47/15/1223174715.db2.gz CMSYNIZNROHDQU-QGWWYQLQSA-N 1 3 365.474 0.146 20 0 FCADHO O=C(N1CCC2(CC1)OC(=O)c1ncccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160878915 1223179052 /nfs/dbraw/zinc/17/90/52/1223179052.db2.gz NYVKBOCCBXTVHJ-FZKQIMNGSA-N 1 3 356.426 0.269 20 0 FCADHO CC1(C)N(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC[C@@]12c1ccccc1OC2=O ZINC001161160877 1223188085 /nfs/dbraw/zinc/18/80/85/1223188085.db2.gz IKFOEJIIIMXOGJ-XOBRGWDASA-N 1 3 355.438 0.663 20 0 FCADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2CNCc3ccnn3C2)C2CCOCC2)CC1 ZINC001161315878 1223195863 /nfs/dbraw/zinc/19/58/63/1223195863.db2.gz DOGRSSOSEYWFEG-BZUAXINKSA-N 1 3 361.490 0.880 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cc1ccc(C)cc1C)CC2 ZINC001161479965 1223200748 /nfs/dbraw/zinc/20/07/48/1223200748.db2.gz RGEJMXDXBGUWED-ZWOKBUDYSA-N 1 3 359.470 0.927 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161579349 1223205078 /nfs/dbraw/zinc/20/50/78/1223205078.db2.gz CKKVWXYQMIJPKJ-MRXNPFEDSA-N 1 3 359.474 0.426 20 0 FCADHO C[C@H]1C(=O)NN=C2COc3ccc(NCCCN4CCN(C)CC4)cc3N21 ZINC001161711298 1223207097 /nfs/dbraw/zinc/20/70/97/1223207097.db2.gz ZPGHEGDSDOEJIQ-AWEZNQCLSA-N 1 3 372.473 0.767 20 0 FCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1-n1cnc(C[NH3+])c1 ZINC001162296870 1223213168 /nfs/dbraw/zinc/21/31/68/1223213168.db2.gz OLWVEWWGWQAYJK-ZDUSSCGKSA-N 1 3 361.446 0.832 20 0 FCADHO COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1cnc(CN)c1 ZINC001162296870 1223213173 /nfs/dbraw/zinc/21/31/73/1223213173.db2.gz OLWVEWWGWQAYJK-ZDUSSCGKSA-N 1 3 361.446 0.832 20 0 FCADHO COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1cnc(CN)c1 ZINC001162296870 1223213178 /nfs/dbraw/zinc/21/31/78/1223213178.db2.gz OLWVEWWGWQAYJK-ZDUSSCGKSA-N 1 3 361.446 0.832 20 0 FCADHO CN1CCC(NC(=O)c2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)nn2)CC1 ZINC001163167908 1223227684 /nfs/dbraw/zinc/22/76/84/1223227684.db2.gz RIFXTQRCDMCNQV-FRFSOERESA-N 1 3 374.489 0.337 20 0 FCADHO CC(=O)N1CC2(C1)CN(CC1(C[NH+](C)C)CCCC1)C[C@H]2C(=O)N(C)C ZINC001208188890 1223521208 /nfs/dbraw/zinc/52/12/08/1223521208.db2.gz OXUAFBRKIAKFNH-KRWDZBQOSA-N 1 3 364.534 0.977 20 0 FCADHO CN1CCN(CCCN2CC[C@@]3(CCCN3CCC[NH+](C)C)C2=O)CC1 ZINC001276609910 1223593989 /nfs/dbraw/zinc/59/39/89/1223593989.db2.gz MMTQRNNJSLLTJQ-FQEVSTJZSA-N 1 3 365.566 0.643 20 0 FCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3c[nH]c4cnccc34)C2)OCC1=O ZINC001276631772 1223609824 /nfs/dbraw/zinc/60/98/24/1223609824.db2.gz ATOMPTDYPXDVHP-LJQANCHMSA-N 1 3 357.458 0.928 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2CN(CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC001209451591 1223621429 /nfs/dbraw/zinc/62/14/29/1223621429.db2.gz JLHNRVHPMMDMRF-RTBURBONSA-N 1 3 366.550 0.973 20 0 FCADHO C[C@@H]1CN(CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298727 1223681523 /nfs/dbraw/zinc/68/15/23/1223681523.db2.gz RYLHKQKYBVKMPF-FGTMMUONSA-N 1 3 371.522 0.587 20 0 FCADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684806 1223693880 /nfs/dbraw/zinc/69/38/80/1223693880.db2.gz FCPNSPQHIFUZEJ-OXJNMPFZSA-N 1 3 359.470 0.954 20 0 FCADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276684806 1223693883 /nfs/dbraw/zinc/69/38/83/1223693883.db2.gz FCPNSPQHIFUZEJ-OXJNMPFZSA-N 1 3 359.470 0.954 20 0 FCADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684808 1223693902 /nfs/dbraw/zinc/69/39/02/1223693902.db2.gz FCPNSPQHIFUZEJ-OXQOHEQNSA-N 1 3 359.470 0.954 20 0 FCADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276684808 1223693908 /nfs/dbraw/zinc/69/39/08/1223693908.db2.gz FCPNSPQHIFUZEJ-OXQOHEQNSA-N 1 3 359.470 0.954 20 0 FCADHO CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328830 1223785205 /nfs/dbraw/zinc/78/52/05/1223785205.db2.gz CAIKKRLOHUXDKW-KZNAEPCWSA-N 1 3 371.522 0.728 20 0 FCADHO CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213328830 1223785208 /nfs/dbraw/zinc/78/52/08/1223785208.db2.gz CAIKKRLOHUXDKW-KZNAEPCWSA-N 1 3 371.522 0.728 20 0 FCADHO CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC001213864026 1223863575 /nfs/dbraw/zinc/86/35/75/1223863575.db2.gz YAZZRQFDRZKJFE-KBAYOESNSA-N 1 3 369.506 0.339 20 0 FCADHO CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC001213864026 1223863576 /nfs/dbraw/zinc/86/35/76/1223863576.db2.gz YAZZRQFDRZKJFE-KBAYOESNSA-N 1 3 369.506 0.339 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NC1CCCC1 ZINC001214646716 1223929016 /nfs/dbraw/zinc/92/90/16/1223929016.db2.gz XHPYHSKZWPWGSH-ZTFGCOKTSA-N 1 3 362.518 0.824 20 0 FCADHO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847940 1223947807 /nfs/dbraw/zinc/94/78/07/1223947807.db2.gz ZLNKQKCEZSQNAM-OWCLPIDISA-N 1 3 368.522 0.448 20 0 FCADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861133 1223948973 /nfs/dbraw/zinc/94/89/73/1223948973.db2.gz IZHAHKDTMJPQKI-VNHYZAJKSA-N 1 3 367.494 0.141 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001214999854 1223962212 /nfs/dbraw/zinc/96/22/12/1223962212.db2.gz QADMRSYDCIUCQU-BZUAXINKSA-N 1 3 368.522 0.306 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001214999854 1223962213 /nfs/dbraw/zinc/96/22/13/1223962213.db2.gz QADMRSYDCIUCQU-BZUAXINKSA-N 1 3 368.522 0.306 20 0 FCADHO C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C1CC1 ZINC001215058309 1223968976 /nfs/dbraw/zinc/96/89/76/1223968976.db2.gz JTENJRUBPCDLBD-BFYDXBDKSA-N 1 3 362.518 0.966 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)C1 ZINC001215380872 1223994985 /nfs/dbraw/zinc/99/49/85/1223994985.db2.gz DWQWUNXMOLUJFS-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)C1 ZINC001215380872 1223994988 /nfs/dbraw/zinc/99/49/88/1223994988.db2.gz DWQWUNXMOLUJFS-RBSFLKMASA-N 1 3 367.494 0.001 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215557935 1224005843 /nfs/dbraw/zinc/00/58/43/1224005843.db2.gz FLTNJAXDUOIPKY-IXDOHACOSA-N 1 3 363.506 0.412 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551417 1224006108 /nfs/dbraw/zinc/00/61/08/1224006108.db2.gz QTTQUJNTKLJZEC-HZPDHXFCSA-N 1 3 367.538 0.862 20 0 FCADHO CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215574685 1224007251 /nfs/dbraw/zinc/00/72/51/1224007251.db2.gz AXNCEDFEDGISLA-KFWWJZLASA-N 1 3 369.510 0.389 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2cc(C)nn2C)C1 ZINC001216212701 1224039225 /nfs/dbraw/zinc/03/92/25/1224039225.db2.gz CXPHIGACEHENLC-UKRRQHHQSA-N 1 3 364.494 0.445 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2cc(C)nn2C)C1 ZINC001216212701 1224039228 /nfs/dbraw/zinc/03/92/28/1224039228.db2.gz CXPHIGACEHENLC-UKRRQHHQSA-N 1 3 364.494 0.445 20 0 FCADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N1CCCC[C@H]1C ZINC001216402000 1224048462 /nfs/dbraw/zinc/04/84/62/1224048462.db2.gz RPWMIPZHXZBDKL-BRWVUGGUSA-N 1 3 368.522 0.402 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NCc1ccccc1 ZINC001216406023 1224049276 /nfs/dbraw/zinc/04/92/76/1224049276.db2.gz WHVDJBDCIZDBTQ-SJLPKXTDSA-N 1 3 370.497 0.835 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001216459202 1224052610 /nfs/dbraw/zinc/05/26/10/1224052610.db2.gz RDHLFRQCPRFIRJ-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001216490443 1224052879 /nfs/dbraw/zinc/05/28/79/1224052879.db2.gz DILKVNBNNPEPGB-NVXWUHKLSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001216490443 1224052881 /nfs/dbraw/zinc/05/28/81/1224052881.db2.gz DILKVNBNNPEPGB-NVXWUHKLSA-N 1 3 368.522 0.450 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490380 1224052942 /nfs/dbraw/zinc/05/29/42/1224052942.db2.gz ALMAJDCFVBRAQC-RBSFLKMASA-N 1 3 369.510 0.389 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NCC)C1 ZINC001216490380 1224052946 /nfs/dbraw/zinc/05/29/46/1224052946.db2.gz ALMAJDCFVBRAQC-RBSFLKMASA-N 1 3 369.510 0.389 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001216499852 1224053875 /nfs/dbraw/zinc/05/38/75/1224053875.db2.gz UFAFXRBKBDTKJD-NVXWUHKLSA-N 1 3 361.490 0.476 20 0 FCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216774414 1224071625 /nfs/dbraw/zinc/07/16/25/1224071625.db2.gz WSNMWKFULPBZDW-RBSFLKMASA-N 1 3 367.494 0.272 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000911516498 1245504821 /nfs/dbraw/zinc/50/48/21/1245504821.db2.gz KZABDGJPSZQVBX-CGTJXYLNSA-N 1 3 356.470 0.814 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000911518655 1245505655 /nfs/dbraw/zinc/50/56/55/1245505655.db2.gz ZRWAPVSPVMBYBD-DTTOXWODSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)[N@H+]1CCC[C@@H](C)C1 ZINC000911518655 1245505658 /nfs/dbraw/zinc/50/56/58/1245505658.db2.gz ZRWAPVSPVMBYBD-DTTOXWODSA-N 1 3 358.486 0.964 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1=O ZINC000922867958 1245690742 /nfs/dbraw/zinc/69/07/42/1245690742.db2.gz NKTCFARGLAYASE-OAHLLOKOSA-N 1 3 366.506 0.156 20 0 FCADHO CO[C@H](C)c1noc(CN2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923325243 1245709539 /nfs/dbraw/zinc/70/95/39/1245709539.db2.gz BJGIUHFPOOSNEZ-HUUCEWRRSA-N 1 3 365.478 0.663 20 0 FCADHO O=C1N[C@@H]2CN(C[C@@H](O)Cc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923379426 1245713230 /nfs/dbraw/zinc/71/32/30/1245713230.db2.gz JVKYNGJXUYBZGR-OTWHNJEPSA-N 1 3 358.486 0.810 20 0 FCADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000923520732 1245724722 /nfs/dbraw/zinc/72/47/22/1245724722.db2.gz VNCHWAOWXTUYRX-UONOGXRCSA-N 1 3 363.462 0.204 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C[C@H]4CCCOC4)C3)CC2)CC[N@@H+]1C ZINC000941414042 1246610294 /nfs/dbraw/zinc/61/02/94/1246610294.db2.gz LBEQLGXWGUXTAP-ZHALLVOQSA-N 1 3 364.534 0.582 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(C[C@H]4CCCOC4)C3)CC2)CC[N@H+]1C ZINC000941414042 1246610301 /nfs/dbraw/zinc/61/03/01/1246610301.db2.gz LBEQLGXWGUXTAP-ZHALLVOQSA-N 1 3 364.534 0.582 20 0 FCADHO CO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942553413 1247128930 /nfs/dbraw/zinc/12/89/30/1247128930.db2.gz WWGOLILTOPPVNN-DJIMGWMZSA-N 1 3 366.506 0.012 20 0 FCADHO NC(=O)C[C@@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481220 1265559758 /nfs/dbraw/zinc/55/97/58/1265559758.db2.gz BWKJFQGJXRLLFI-GJZGRUSLSA-N 1 3 359.474 0.476 20 0 FCADHO NC(=O)C[C@@H]1CCN(Cc2cncc(C[N@H+]3CC[C@@H](CC(N)=O)C3)c2)C1 ZINC001328481220 1265559764 /nfs/dbraw/zinc/55/97/64/1265559764.db2.gz BWKJFQGJXRLLFI-GJZGRUSLSA-N 1 3 359.474 0.476 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC000998652529 1251941344 /nfs/dbraw/zinc/94/13/44/1251941344.db2.gz BMBAAYJMMYADSK-NCOADZHNSA-N 1 3 360.502 0.672 20 0 FCADHO CC(C)CN1CCN(c2nnc(C3CC[NH+](CCO)CC3)n2C)CC1 ZINC001519838601 1265781939 /nfs/dbraw/zinc/78/19/39/1265781939.db2.gz HWBWSKRHNFCDNO-UHFFFAOYSA-N 1 3 350.511 0.765 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC3(CN(CCO)C3)CC2)CC1 ZINC001035707012 1254057815 /nfs/dbraw/zinc/05/78/15/1254057815.db2.gz BENCOYCHCOZJEW-MSOLQXFVSA-N 1 3 365.518 0.650 20 0 FCADHO OCC1(O)CCN(Cc2ccccc2C[NH+]2CCC(O)(CO)CC2)CC1 ZINC001329910384 1265889709 /nfs/dbraw/zinc/88/97/09/1265889709.db2.gz DIWDKSUTUAPYRU-UHFFFAOYSA-N 1 3 364.486 0.325 20 0 FCADHO Cn1nccc1CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798711 1254618905 /nfs/dbraw/zinc/61/89/05/1254618905.db2.gz LOCZKTDLVJGQBI-QXAKKESOSA-N 1 3 357.502 0.837 20 0 FCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)cc1 ZINC001077685184 1254879857 /nfs/dbraw/zinc/87/98/57/1254879857.db2.gz CNBOJKLSGRFKOE-BHIYHBOVSA-N 1 3 361.486 0.602 20 0 FCADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001330085066 1265939392 /nfs/dbraw/zinc/93/93/92/1265939392.db2.gz MSIWOLRPFJKUQO-OKZBNKHCSA-N 1 3 356.470 0.736 20 0 FCADHO CCCN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC001330543457 1266055345 /nfs/dbraw/zinc/05/53/45/1266055345.db2.gz JDVGECRBSBPSEJ-QGZVFWFLSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082515250 1256799131 /nfs/dbraw/zinc/79/91/31/1256799131.db2.gz GCFRPVNIGLQSID-BPQIPLTHSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001082515571 1256800334 /nfs/dbraw/zinc/80/03/34/1256800334.db2.gz RIBHPBJQABFQIG-DAXOMENPSA-N 1 3 358.490 0.960 20 0 FCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082863128 1257113856 /nfs/dbraw/zinc/11/38/56/1257113856.db2.gz MVNRTHQPZCRBAY-UKRRQHHQSA-N 1 3 370.457 0.055 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001082943689 1257160780 /nfs/dbraw/zinc/16/07/80/1257160780.db2.gz XHJLZSMAIHYDFW-BRWVUGGUSA-N 1 3 366.506 0.156 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001083149082 1257404269 /nfs/dbraw/zinc/40/42/69/1257404269.db2.gz XNLMGNFUJVYSGS-KZIZELGASA-N 1 3 361.486 0.561 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001083149082 1257404273 /nfs/dbraw/zinc/40/42/73/1257404273.db2.gz XNLMGNFUJVYSGS-KZIZELGASA-N 1 3 361.486 0.561 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CC3CC(C)(C)C3)C[C@@H]2O)cn1 ZINC001083851126 1257607857 /nfs/dbraw/zinc/60/78/57/1257607857.db2.gz NYUQEECMONKOOT-SJORKVTESA-N 1 3 363.506 0.656 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093031 1258587130 /nfs/dbraw/zinc/58/71/30/1258587130.db2.gz BIOBOWKPWDSXLD-OAGGEKHMSA-N 1 3 362.474 0.010 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(CCN4C(=O)CCC4=O)[C@H]3C2)C1 ZINC001085093031 1258587134 /nfs/dbraw/zinc/58/71/34/1258587134.db2.gz BIOBOWKPWDSXLD-OAGGEKHMSA-N 1 3 362.474 0.010 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673152 1258938192 /nfs/dbraw/zinc/93/81/92/1258938192.db2.gz FMBAQBLNVZXVNS-KFWWJZLASA-N 1 3 369.510 0.247 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039462 1259022729 /nfs/dbraw/zinc/02/27/29/1259022729.db2.gz SMKQXVIVXJCPMA-HUUCEWRRSA-N 1 3 369.510 0.247 20 0 FCADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001331604044 1266246982 /nfs/dbraw/zinc/24/69/82/1266246982.db2.gz MKSCYNGYYDQSTL-KZNAEPCWSA-N 1 3 374.485 0.247 20 0 FCADHO CCO[C@@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129228309 1259349911 /nfs/dbraw/zinc/34/99/11/1259349911.db2.gz NATDXCUDBOVWCY-IKGGRYGDSA-N 1 3 364.494 0.386 20 0 FCADHO CN(C)C1(C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001160644983 1259386216 /nfs/dbraw/zinc/38/62/16/1259386216.db2.gz LUOVPLXUWSJSLX-IRXDYDNUSA-N 1 3 358.486 0.628 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519198 /nfs/dbraw/zinc/51/91/98/1259519198.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519202 /nfs/dbraw/zinc/51/92/02/1259519202.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519208 /nfs/dbraw/zinc/51/92/08/1259519208.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001212483433 1259519212 /nfs/dbraw/zinc/51/92/12/1259519212.db2.gz IQXSGRMMWSMZBI-BZUAXINKSA-N 1 3 368.522 0.448 20 0 FCADHO c1cc2n(c1CN1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCNC2 ZINC001235206767 1259569576 /nfs/dbraw/zinc/56/95/76/1259569576.db2.gz KJZOQWSSNYJCOO-UHFFFAOYSA-N 1 3 358.490 0.565 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CCNCC1 ZINC001246077124 1259647965 /nfs/dbraw/zinc/64/79/65/1259647965.db2.gz GQKNIMOBSNFOQI-ZDUSSCGKSA-N 1 3 362.478 0.334 20 0 FCADHO c1cncc(N2CCC[C@@]3(C2)CN([C@@H]2CCNC4(C[NH2+]C4)C2)CCO3)c1 ZINC001246709149 1259665593 /nfs/dbraw/zinc/66/55/93/1259665593.db2.gz SDVYSRVBGUIOGA-YLJYHZDGSA-N 1 3 357.502 0.847 20 0 FCADHO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709475 1259666603 /nfs/dbraw/zinc/66/66/03/1259666603.db2.gz OQJXROFBDHWOEU-MBOZVWFJSA-N 1 3 371.485 0.595 20 0 FCADHO c1ncn2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H](COc1cccnc1)C2 ZINC001246718643 1259668626 /nfs/dbraw/zinc/66/86/26/1259668626.db2.gz JMYZSSQYMHOHGD-IAGOWNOFSA-N 1 3 368.485 0.883 20 0 FCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246756950 1259682820 /nfs/dbraw/zinc/68/28/20/1259682820.db2.gz UDXOSUIARRYGFA-KAKFPZCNSA-N 1 3 358.534 0.845 20 0 FCADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001253186095 1259828527 /nfs/dbraw/zinc/82/85/27/1259828527.db2.gz WLHRGOBXXKXJQX-IRXDYDNUSA-N 1 3 370.538 0.831 20 0 FCADHO CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC001261824544 1260195686 /nfs/dbraw/zinc/19/56/86/1260195686.db2.gz BMFVVGNRVHDXOC-MRXNPFEDSA-N 1 3 359.474 0.025 20 0 FCADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cn1 ZINC001336833274 1260234103 /nfs/dbraw/zinc/23/41/03/1260234103.db2.gz GNPOJVXIEKWVCZ-ZDUSSCGKSA-N 1 3 371.279 0.620 20 0 FCADHO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC001262567325 1260328171 /nfs/dbraw/zinc/32/81/71/1260328171.db2.gz PJICEXJLSIJUKF-MRXNPFEDSA-N 1 3 366.458 0.649 20 0 FCADHO CC[N@@H+]1CCC[C@H](C(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)C1 ZINC001271652533 1260444528 /nfs/dbraw/zinc/44/45/28/1260444528.db2.gz NWMAEHRTKICWFP-BMGDILEWSA-N 1 3 372.460 0.381 20 0 FCADHO CC[N@H+]1CCC[C@H](C(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)C1 ZINC001271652533 1260444533 /nfs/dbraw/zinc/44/45/33/1260444533.db2.gz NWMAEHRTKICWFP-BMGDILEWSA-N 1 3 372.460 0.381 20 0 FCADHO CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181391 1260685869 /nfs/dbraw/zinc/68/58/69/1260685869.db2.gz DXOZTGVHFLUNGV-GBESFXJTSA-N 1 3 364.534 0.977 20 0 FCADHO CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)C1 ZINC001278181391 1260685874 /nfs/dbraw/zinc/68/58/74/1260685874.db2.gz DXOZTGVHFLUNGV-GBESFXJTSA-N 1 3 364.534 0.977 20 0 FCADHO O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001280039919 1260983280 /nfs/dbraw/zinc/98/32/80/1260983280.db2.gz USGSOQADLXTVTP-KURKYZTESA-N 1 3 359.474 0.279 20 0 FCADHO C[N@@H+]1CCC[C@H](CN2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259415 1261042665 /nfs/dbraw/zinc/04/26/65/1261042665.db2.gz OMLRYFJMEYMBPV-RDJZCZTQSA-N 1 3 361.490 0.706 20 0 FCADHO C[N@H+]1CCC[C@H](CN2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259415 1261042673 /nfs/dbraw/zinc/04/26/73/1261042673.db2.gz OMLRYFJMEYMBPV-RDJZCZTQSA-N 1 3 361.490 0.706 20 0 FCADHO CN1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259415 1261042677 /nfs/dbraw/zinc/04/26/77/1261042677.db2.gz OMLRYFJMEYMBPV-RDJZCZTQSA-N 1 3 361.490 0.706 20 0 FCADHO C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)N1CCCCCC1 ZINC001281710972 1261167542 /nfs/dbraw/zinc/16/75/42/1261167542.db2.gz YPLGOEMRJYSJCX-GVDBMIGSSA-N 1 3 368.522 0.281 20 0 FCADHO Cn1nc(C2CC2)nc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001332499687 1266417744 /nfs/dbraw/zinc/41/77/44/1266417744.db2.gz LSCBORSUTFVKGI-UHFFFAOYSA-N 1 3 360.506 0.910 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@@H]1O ZINC001289696804 1262312426 /nfs/dbraw/zinc/31/24/26/1262312426.db2.gz UQSZRMZTBBDOLU-BBWFWOEESA-N 1 3 368.522 0.138 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@@H]1O ZINC001289696804 1262312432 /nfs/dbraw/zinc/31/24/32/1262312432.db2.gz UQSZRMZTBBDOLU-BBWFWOEESA-N 1 3 368.522 0.138 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001479506750 1263233499 /nfs/dbraw/zinc/23/34/99/1263233499.db2.gz NMXQEOYFLGLRNP-HYVNUMGLSA-N 1 3 365.522 0.663 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCOCC1 ZINC001316706035 1263430937 /nfs/dbraw/zinc/43/09/37/1263430937.db2.gz LDUBQWVJMDHTRL-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCOCC1 ZINC001316706035 1263430941 /nfs/dbraw/zinc/43/09/41/1263430941.db2.gz LDUBQWVJMDHTRL-SJORKVTESA-N 1 3 368.522 0.404 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001580385601 1278205430 /nfs/dbraw/zinc/20/54/30/1278205430.db2.gz PWHDOQOFUQYUTQ-VNQPRFMTSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001580385601 1278205435 /nfs/dbraw/zinc/20/54/35/1278205435.db2.gz PWHDOQOFUQYUTQ-VNQPRFMTSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001580385601 1278205444 /nfs/dbraw/zinc/20/54/44/1278205444.db2.gz PWHDOQOFUQYUTQ-VNQPRFMTSA-N 1 3 369.473 0.897 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001580385601 1278205452 /nfs/dbraw/zinc/20/54/52/1278205452.db2.gz PWHDOQOFUQYUTQ-VNQPRFMTSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318662285 1263597471 /nfs/dbraw/zinc/59/74/71/1263597471.db2.gz RYAHRUNMUISPBR-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318662285 1263597477 /nfs/dbraw/zinc/59/74/77/1263597477.db2.gz RYAHRUNMUISPBR-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323511122 1264445395 /nfs/dbraw/zinc/44/53/95/1264445395.db2.gz JSXYMOARPUEFLB-IAGOWNOFSA-N 1 3 370.538 0.506 20 0 FCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC001325307009 1264843635 /nfs/dbraw/zinc/84/36/35/1264843635.db2.gz JANALRYNZVBLMT-QZTJIDSGSA-N 1 3 360.502 0.686 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580407184 1278244657 /nfs/dbraw/zinc/24/46/57/1278244657.db2.gz IDUYNQXDJREKLE-CYBMUJFWSA-N 1 3 355.446 0.557 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001580407184 1278244661 /nfs/dbraw/zinc/24/46/61/1278244661.db2.gz IDUYNQXDJREKLE-CYBMUJFWSA-N 1 3 355.446 0.557 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4c(nnn4C)C3)CC2)CC1 ZINC001327126170 1265239197 /nfs/dbraw/zinc/23/91/97/1265239197.db2.gz CNKWBSSIAOOAJY-INIZCTEOSA-N 1 3 374.533 0.985 20 0 FCADHO CN(C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC001333448625 1266605134 /nfs/dbraw/zinc/60/51/34/1266605134.db2.gz PRLZFOABUAVOJF-WKILWMFISA-N 1 3 373.501 0.400 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001529321373 1267052964 /nfs/dbraw/zinc/05/29/64/1267052964.db2.gz CNEKZAJOBGUTHZ-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001529321373 1267052974 /nfs/dbraw/zinc/05/29/74/1267052974.db2.gz CNEKZAJOBGUTHZ-DJIMGWMZSA-N 1 3 350.507 0.918 20 0 FCADHO CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC001549045832 1267794996 /nfs/dbraw/zinc/79/49/96/1267794996.db2.gz ALNHCDYADDEVBG-PBHICJAKSA-N 1 3 372.429 0.101 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C[C@@H]2[NH3+])c1 ZINC001549733509 1267981625 /nfs/dbraw/zinc/98/16/25/1267981625.db2.gz AUXOMNIMRJWGPM-KSZLIROESA-N 1 3 368.485 0.980 20 0 FCADHO CN(C)CCn1c2cc(C(=O)N3C[C@H]4C[NH2+]C[C@@]4(C)C3)ccc2[nH]c1=O ZINC001550115742 1268076231 /nfs/dbraw/zinc/07/62/31/1268076231.db2.gz DDCWWPCVLWLKRI-KUHUBIRLSA-N 1 3 357.458 0.985 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)C[C@@H]2[NH3+])c1 ZINC001550732941 1268157643 /nfs/dbraw/zinc/15/76/43/1268157643.db2.gz VDIFEWPNTGGGCT-IKGGRYGDSA-N 1 3 354.458 0.743 20 0 FCADHO [NH3+][C@]1(CO)CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001550745056 1268160792 /nfs/dbraw/zinc/16/07/92/1268160792.db2.gz RPOYZTQMRZCZEM-LJQANCHMSA-N 1 3 361.490 0.789 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCC1CCCCC1 ZINC001550913260 1268184181 /nfs/dbraw/zinc/18/41/81/1268184181.db2.gz NISSLVIIUXABLP-LPHOPBHVSA-N 1 3 350.507 0.919 20 0 FCADHO Cc1ccc(CNC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001550912653 1268184306 /nfs/dbraw/zinc/18/43/06/1268184306.db2.gz JKLCELHCHCKZST-YLJYHZDGSA-N 1 3 358.486 0.848 20 0 FCADHO CC1CCC(NC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001550914712 1268184337 /nfs/dbraw/zinc/18/43/37/1268184337.db2.gz ZBHAPLBAXRJUQF-MUXCANPHSA-N 1 3 350.507 0.918 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC001551281034 1268221700 /nfs/dbraw/zinc/22/17/00/1268221700.db2.gz JBUBPNJDFMFEND-UHFFFAOYSA-N 1 3 368.522 0.776 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC(C)(N3CCOCC3)CC2)CCO1 ZINC001551499070 1268262242 /nfs/dbraw/zinc/26/22/42/1268262242.db2.gz WBUYZTSMUJVJOG-CTMQZQKCSA-N 1 3 354.495 0.778 20 0 FCADHO CO[C@H]1C[C@@H](C[NH3+])N(C(=O)NC2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551505818 1268262325 /nfs/dbraw/zinc/26/23/25/1268262325.db2.gz XFXQPATZVAENDY-LPMVOBIJSA-N 1 3 354.495 0.778 20 0 FCADHO CN1CCNC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC001340347690 1268518511 /nfs/dbraw/zinc/51/85/11/1268518511.db2.gz BBBHWUXZZWBFRF-SFHVURJKSA-N 1 3 360.506 0.486 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC001552844169 1268558008 /nfs/dbraw/zinc/55/80/08/1268558008.db2.gz JPCOCGPRKWKZDQ-KLHDSHLOSA-N 1 3 362.861 0.413 20 0 FCADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC001552847458 1268559097 /nfs/dbraw/zinc/55/90/97/1268559097.db2.gz UUGIBCRUIYYTKZ-STQMWFEESA-N 1 3 363.487 0.303 20 0 FCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)CC2)nc1 ZINC001553425812 1268648195 /nfs/dbraw/zinc/64/81/95/1268648195.db2.gz UMYSGUZVWQUTJH-IXDOHACOSA-N 1 3 359.474 0.311 20 0 FCADHO [NH3+]C[C@]1(C2CCOCC2)CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001553441942 1268650575 /nfs/dbraw/zinc/65/05/75/1268650575.db2.gz BZGQWEPWOSIVQW-JENIJYKNSA-N 1 3 366.506 0.637 20 0 FCADHO C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553531800 1268664726 /nfs/dbraw/zinc/66/47/26/1268664726.db2.gz VUECMKDQIJWUNM-CVEARBPZSA-N 1 3 365.522 0.747 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@@]23CC[C@@H]2CC[NH2+]3)CC1 ZINC001553541191 1268665630 /nfs/dbraw/zinc/66/56/30/1268665630.db2.gz KAKPDKFTKHIUQL-QAPCUYQASA-N 1 3 363.506 0.644 20 0 FCADHO [NH3+]C1(CNC(=O)CN2CCC(CO)CC2)CCN(Cc2ccccc2)CC1 ZINC001341102545 1268785679 /nfs/dbraw/zinc/78/56/79/1268785679.db2.gz JOSBHIUTZGHZFT-UHFFFAOYSA-N 1 3 374.529 0.800 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COC2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001341389856 1268968657 /nfs/dbraw/zinc/96/86/57/1268968657.db2.gz XKVJHUBRJNHIBN-ZHALLVOQSA-N 1 3 355.523 0.501 20 0 FCADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC001341716995 1269166557 /nfs/dbraw/zinc/16/65/57/1269166557.db2.gz MCTGRFKQLUBBAV-KBXCAEBGSA-N 1 3 362.474 0.832 20 0 FCADHO COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC001341716975 1269166597 /nfs/dbraw/zinc/16/65/97/1269166597.db2.gz LZAHXGLFORYAIF-QRWLVFNGSA-N 1 3 359.470 0.976 20 0 FCADHO COc1cccc2c1CC[C@@]2(N)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001341716975 1269166599 /nfs/dbraw/zinc/16/65/99/1269166599.db2.gz LZAHXGLFORYAIF-QRWLVFNGSA-N 1 3 359.470 0.976 20 0 FCADHO O=C(CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)NCCN1CCCCC1 ZINC001580551445 1278484795 /nfs/dbraw/zinc/48/47/95/1278484795.db2.gz IJBYPIPQFFXHLJ-HXUWFJFHSA-N 1 3 358.486 0.636 20 0 FCADHO O=C(NC[C@@H]1CCCN1CCCO)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001580654889 1278637967 /nfs/dbraw/zinc/63/79/67/1278637967.db2.gz PUDHYEAJLYIDRK-GJZGRUSLSA-N 1 3 350.467 0.169 20 0 FCADHO C[C@@H](C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786634 1271520506 /nfs/dbraw/zinc/52/05/06/1271520506.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786634 1271520515 /nfs/dbraw/zinc/52/05/15/1271520515.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574786634 1271520536 /nfs/dbraw/zinc/52/05/36/1271520536.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574786634 1271520537 /nfs/dbraw/zinc/52/05/37/1271520537.db2.gz WCAGBUHGOOAXFB-ZFWWWQNUSA-N 1 3 357.462 0.755 20 0 FCADHO CC(C)(C)OC(=O)COCCOCCN[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC001575160603 1271758258 /nfs/dbraw/zinc/75/82/58/1271758258.db2.gz OKUBCIKBNMJZKN-GJZGRUSLSA-N 1 3 358.479 0.847 20 0 FCADHO CC(C)(C)OC(=O)COCCOCC[NH2+][C@H]1C[C@H](N)C12CCOCC2 ZINC001575160603 1271758267 /nfs/dbraw/zinc/75/82/67/1271758267.db2.gz OKUBCIKBNMJZKN-GJZGRUSLSA-N 1 3 358.479 0.847 20 0 FCADHO CC(C)N1CCN(C2CCN(S(=O)(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC001575700550 1272322070 /nfs/dbraw/zinc/32/20/70/1272322070.db2.gz QOYJCQGVFWVBNY-UHFFFAOYSA-N 1 3 358.552 0.559 20 0 FCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001576816440 1273735616 /nfs/dbraw/zinc/73/56/16/1273735616.db2.gz SYHDWVJNTNWBFP-LBPRGKRZSA-N 1 3 357.418 0.456 20 0 FCADHO CN1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]([NH2+]CCc3c[nH]nn3)C2)n[nH]1 ZINC001576906158 1273915680 /nfs/dbraw/zinc/91/56/80/1273915680.db2.gz NWZJXCRTJMFBNY-CZUORRHYSA-N 1 3 358.450 0.341 20 0 FCADHO CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577849063 1274984324 /nfs/dbraw/zinc/98/43/24/1274984324.db2.gz BFDZKUKKIQPLPS-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001577849063 1274984330 /nfs/dbraw/zinc/98/43/30/1274984330.db2.gz BFDZKUKKIQPLPS-UHFFFAOYSA-N 1 3 363.441 0.896 20 0 FCADHO CCc1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001578311162 1275648601 /nfs/dbraw/zinc/64/86/01/1275648601.db2.gz DGGQZOVISHQYNZ-SJORKVTESA-N 1 3 363.554 0.899 20 0 FCADHO COC(=O)[C@H]1CN(CCOCC[NH3+])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001578796622 1276285149 /nfs/dbraw/zinc/28/51/49/1276285149.db2.gz KOXACINXBMOURE-CYBMUJFWSA-N 1 3 357.451 0.304 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001578970703 1276515071 /nfs/dbraw/zinc/51/50/71/1276515071.db2.gz HGMUXKKQEAPLTK-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001578970703 1276515073 /nfs/dbraw/zinc/51/50/73/1276515073.db2.gz HGMUXKKQEAPLTK-HNNXBMFYSA-N 1 3 369.473 0.899 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001578974961 1276523916 /nfs/dbraw/zinc/52/39/16/1276523916.db2.gz YJTNPVJOQOKSFD-CYBMUJFWSA-N 1 3 361.425 0.648 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001578976097 1276526260 /nfs/dbraw/zinc/52/62/60/1276526260.db2.gz NIFAODKDLQIHPL-MRXNPFEDSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001578976097 1276526263 /nfs/dbraw/zinc/52/62/63/1276526263.db2.gz NIFAODKDLQIHPL-MRXNPFEDSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001578976372 1276528197 /nfs/dbraw/zinc/52/81/97/1276528197.db2.gz XBYAKBVRFOLNJG-CALCHBBNSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001578976372 1276528203 /nfs/dbraw/zinc/52/82/03/1276528203.db2.gz XBYAKBVRFOLNJG-CALCHBBNSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001578976372 1276528205 /nfs/dbraw/zinc/52/82/05/1276528205.db2.gz XBYAKBVRFOLNJG-CALCHBBNSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001578976372 1276528209 /nfs/dbraw/zinc/52/82/09/1276528209.db2.gz XBYAKBVRFOLNJG-CALCHBBNSA-N 1 3 369.473 0.709 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001578978074 1276534673 /nfs/dbraw/zinc/53/46/73/1276534673.db2.gz DKTYLPJMBHYDBL-MRXNPFEDSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001578978074 1276534677 /nfs/dbraw/zinc/53/46/77/1276534677.db2.gz DKTYLPJMBHYDBL-MRXNPFEDSA-N 1 3 357.462 0.803 20 0 FCADHO COCCN(C)CCn1c(CC2CC2)nnc1N(C)C1CC[NH2+]CC1 ZINC001579022090 1276598987 /nfs/dbraw/zinc/59/89/87/1276598987.db2.gz RPBNCKKYXPMOOI-UHFFFAOYSA-N 1 3 350.511 0.997 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326009 1277148983 /nfs/dbraw/zinc/14/89/83/1277148983.db2.gz HNTVXXMNYVFKPN-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326009 1277148985 /nfs/dbraw/zinc/14/89/85/1277148985.db2.gz HNTVXXMNYVFKPN-IRXDYDNUSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326010 1277150067 /nfs/dbraw/zinc/15/00/67/1277150067.db2.gz HNTVXXMNYVFKPN-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326010 1277150070 /nfs/dbraw/zinc/15/00/70/1277150070.db2.gz HNTVXXMNYVFKPN-SJORKVTESA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327002 1277153223 /nfs/dbraw/zinc/15/32/23/1277153223.db2.gz NWHUBEQEGKDTIC-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579327002 1277153226 /nfs/dbraw/zinc/15/32/26/1277153226.db2.gz NWHUBEQEGKDTIC-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327002 1277153228 /nfs/dbraw/zinc/15/32/28/1277153228.db2.gz NWHUBEQEGKDTIC-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579327002 1277153231 /nfs/dbraw/zinc/15/32/31/1277153231.db2.gz NWHUBEQEGKDTIC-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580279112 1278078088 /nfs/dbraw/zinc/07/80/88/1278078088.db2.gz MIONRKRXMLACTQ-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001580279112 1278078090 /nfs/dbraw/zinc/07/80/90/1278078090.db2.gz MIONRKRXMLACTQ-GUYCJALGSA-N 1 3 369.473 0.803 20 0 FCADHO O=S1CCN(c2nnc(C3CC[NH2+]CC3)n2CCN2CCCC2)CC1 ZINC001580872923 1279076515 /nfs/dbraw/zinc/07/65/15/1279076515.db2.gz NKRNNNSJWRNVHM-UHFFFAOYSA-N 1 3 366.535 0.410 20 0 FCADHO Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013655 1279240288 /nfs/dbraw/zinc/24/02/88/1279240288.db2.gz UVPIAIPLFBKRRP-GXTWGEPZSA-N 1 3 372.477 0.593 20 0 FCADHO Cc1cc(NC[C@@H](C)N(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581013655 1279240290 /nfs/dbraw/zinc/24/02/90/1279240290.db2.gz UVPIAIPLFBKRRP-GXTWGEPZSA-N 1 3 372.477 0.593 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C2CCCCC2)CC[N@@H+]1C ZINC001715587262 1287356313 /nfs/dbraw/zinc/35/63/13/1287356313.db2.gz SYFOAOHLDBDOQN-HYVNUMGLSA-N 1 3 368.522 0.184 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C2CCCCC2)CC[N@H+]1C ZINC001715587262 1287356316 /nfs/dbraw/zinc/35/63/16/1287356316.db2.gz SYFOAOHLDBDOQN-HYVNUMGLSA-N 1 3 368.522 0.184 20 0 FCADHO CCN(CC)C(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717318922 1287417854 /nfs/dbraw/zinc/41/78/54/1287417854.db2.gz OPSUWUCGEWATAM-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)C(=O)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717318922 1287417859 /nfs/dbraw/zinc/41/78/59/1287417859.db2.gz OPSUWUCGEWATAM-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001719072572 1287656539 /nfs/dbraw/zinc/65/65/39/1287656539.db2.gz NRDBGHNUEROGJR-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001719072572 1287656543 /nfs/dbraw/zinc/65/65/43/1287656543.db2.gz NRDBGHNUEROGJR-DOTOQJQBSA-N 1 3 350.507 0.872 20 0 FCADHO C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071154 1284131491 /nfs/dbraw/zinc/13/14/91/1284131491.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071154 1284131496 /nfs/dbraw/zinc/13/14/96/1284131496.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071154 1284131501 /nfs/dbraw/zinc/13/15/01/1284131501.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591071154 1284131508 /nfs/dbraw/zinc/13/15/08/1284131508.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071154 1284131515 /nfs/dbraw/zinc/13/15/15/1284131515.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071154 1284131522 /nfs/dbraw/zinc/13/15/22/1284131522.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071154 1284131529 /nfs/dbraw/zinc/13/15/29/1284131529.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591071154 1284131534 /nfs/dbraw/zinc/13/15/34/1284131534.db2.gz OTXGUYMHHGJDIH-MRXNPFEDSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001591178298 1284273916 /nfs/dbraw/zinc/27/39/16/1284273916.db2.gz QYZKKSVCTMDMPS-QAQDUYKDSA-N 1 3 369.473 0.945 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001591178298 1284273926 /nfs/dbraw/zinc/27/39/26/1284273926.db2.gz QYZKKSVCTMDMPS-QAQDUYKDSA-N 1 3 369.473 0.945 20 0 FCADHO Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592051738 1285096934 /nfs/dbraw/zinc/09/69/34/1285096934.db2.gz GZXSHFZMCZPXKV-MRXNPFEDSA-N 1 3 365.441 0.823 20 0 FCADHO Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592051738 1285096940 /nfs/dbraw/zinc/09/69/40/1285096940.db2.gz GZXSHFZMCZPXKV-MRXNPFEDSA-N 1 3 365.441 0.823 20 0 FCADHO Cc1nsc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1-c1nnn[n-]1 ZINC001592478064 1285416603 /nfs/dbraw/zinc/41/66/03/1285416603.db2.gz QHWQCSKIFPFJDZ-VXGBXAGGSA-N 1 3 350.496 0.807 20 0 FCADHO [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001592745556 1285665829 /nfs/dbraw/zinc/66/58/29/1285665829.db2.gz VXBUXNXWWILQQW-UHFFFAOYSA-N 1 3 373.870 0.208 20 0 FCADHO [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001592745556 1285665836 /nfs/dbraw/zinc/66/58/36/1285665836.db2.gz VXBUXNXWWILQQW-UHFFFAOYSA-N 1 3 373.870 0.208 20 0 FCADHO Cn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1-c1nnn[n-]1 ZINC001609267743 1289031903 /nfs/dbraw/zinc/03/19/03/1289031903.db2.gz JDBBWDBOVBGYSO-UHFFFAOYSA-N 1 3 362.482 0.551 20 0 FCADHO Cn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1-c1nn[n-]n1 ZINC001609267743 1289031910 /nfs/dbraw/zinc/03/19/10/1289031910.db2.gz JDBBWDBOVBGYSO-UHFFFAOYSA-N 1 3 362.482 0.551 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC[NH2+]1 ZINC001593037391 1285921642 /nfs/dbraw/zinc/92/16/42/1285921642.db2.gz DIQCOOXLQZKURD-WMLDXEAASA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC[NH2+]1 ZINC001593037391 1285921649 /nfs/dbraw/zinc/92/16/49/1285921649.db2.gz DIQCOOXLQZKURD-WMLDXEAASA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037391 1285921655 /nfs/dbraw/zinc/92/16/55/1285921655.db2.gz DIQCOOXLQZKURD-WMLDXEAASA-N 1 3 369.473 0.947 20 0 FCADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC[NH2+]1 ZINC001593037391 1285921662 /nfs/dbraw/zinc/92/16/62/1285921662.db2.gz DIQCOOXLQZKURD-WMLDXEAASA-N 1 3 369.473 0.947 20 0 FCADHO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]C[C@H]2CNCCO2)CC1 ZINC001593548149 1286201990 /nfs/dbraw/zinc/20/19/90/1286201990.db2.gz WORYXFZVTMESQP-QGZVFWFLSA-N 1 3 357.462 0.409 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)NC(=O)NC ZINC001707166371 1286487758 /nfs/dbraw/zinc/48/77/58/1286487758.db2.gz WNCZJCKUMIUPFS-ILXRZTDVSA-N 1 3 369.510 0.389 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(=O)NC(=O)NC ZINC001707166371 1286487763 /nfs/dbraw/zinc/48/77/63/1286487763.db2.gz WNCZJCKUMIUPFS-ILXRZTDVSA-N 1 3 369.510 0.389 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1O ZINC001719133020 1287799523 /nfs/dbraw/zinc/79/95/23/1287799523.db2.gz DIZVQJYAFUPASH-GVDBMIGSSA-N 1 3 368.522 0.281 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1O ZINC001719133020 1287799530 /nfs/dbraw/zinc/79/95/30/1287799530.db2.gz DIZVQJYAFUPASH-GVDBMIGSSA-N 1 3 368.522 0.281 20 0 FCADHO O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001607096079 1288659706 /nfs/dbraw/zinc/65/97/06/1288659706.db2.gz AANRYCPENLNRHE-DLBZAZTESA-N 1 3 372.473 0.928 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1OC ZINC001735896210 1289005151 /nfs/dbraw/zinc/00/51/51/1289005151.db2.gz ALWXSUDXKIMCJA-BRWVUGGUSA-N 1 3 368.522 0.543 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1OC ZINC001735896210 1289005154 /nfs/dbraw/zinc/00/51/54/1289005154.db2.gz ALWXSUDXKIMCJA-BRWVUGGUSA-N 1 3 368.522 0.543 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001692027676 1289371106 /nfs/dbraw/zinc/37/11/06/1289371106.db2.gz IKPFSSNHPGWWDP-OWCLPIDISA-N 1 3 354.495 0.058 20 0 FCADHO CC(C)NC(=O)NCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001692084783 1289390544 /nfs/dbraw/zinc/39/05/44/1289390544.db2.gz LVDLJRLRDDBVNS-IKGGRYGDSA-N 1 3 365.522 0.426 20 0 FCADHO CC(C)NC(=O)NCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001692084783 1289390552 /nfs/dbraw/zinc/39/05/52/1289390552.db2.gz LVDLJRLRDDBVNS-IKGGRYGDSA-N 1 3 365.522 0.426 20 0 FCADHO CC(C)NC(=O)NCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001692084784 1289393424 /nfs/dbraw/zinc/39/34/24/1289393424.db2.gz LVDLJRLRDDBVNS-ZACQAIPSSA-N 1 3 365.522 0.426 20 0 FCADHO CC(C)NC(=O)NCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001692084784 1289393427 /nfs/dbraw/zinc/39/34/27/1289393427.db2.gz LVDLJRLRDDBVNS-ZACQAIPSSA-N 1 3 365.522 0.426 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCN1CCc1cnn(C)c1 ZINC001692216490 1289429956 /nfs/dbraw/zinc/42/99/56/1289429956.db2.gz DXGNMHNQASPJDP-QAPCUYQASA-N 1 3 363.506 0.652 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)CC[N@@H+]1C ZINC001699257878 1289548309 /nfs/dbraw/zinc/54/83/09/1289548309.db2.gz FLBXKVNMZGEFQS-SQLJOLKNSA-N 1 3 358.446 0.125 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC=CCNCc2cc(=O)n3nccc3[nH]2)CC[N@H+]1C ZINC001699257878 1289548313 /nfs/dbraw/zinc/54/83/13/1289548313.db2.gz FLBXKVNMZGEFQS-SQLJOLKNSA-N 1 3 358.446 0.125 20 0 FCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001656543239 1291543364 /nfs/dbraw/zinc/54/33/64/1291543364.db2.gz YDPHPAWYPRYTCJ-CABCVRRESA-N 1 3 364.494 0.021 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001685109407 1292431647 /nfs/dbraw/zinc/43/16/47/1292431647.db2.gz WOKIRFXEDQWUPQ-CVEARBPZSA-N 1 3 361.490 0.991 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001685109407 1292431653 /nfs/dbraw/zinc/43/16/53/1292431653.db2.gz WOKIRFXEDQWUPQ-CVEARBPZSA-N 1 3 361.490 0.991 20 0 FCADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001688984903 1294558801 /nfs/dbraw/zinc/55/88/01/1294558801.db2.gz MKXNUILCURHPPJ-HZSPNIEDSA-N 1 3 367.494 0.189 20 0 FCADHO CCCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001689098323 1294616164 /nfs/dbraw/zinc/61/61/64/1294616164.db2.gz IZOFOWDAKGKODQ-CABCVRRESA-N 1 3 369.510 0.391 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236419 1294698270 /nfs/dbraw/zinc/69/82/70/1294698270.db2.gz DILHUWGNFLKLNZ-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001689236419 1294698272 /nfs/dbraw/zinc/69/82/72/1294698272.db2.gz DILHUWGNFLKLNZ-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1CCNC2 ZINC001164930814 721852947 /nfs/dbraw/zinc/85/29/47/721852947.db2.gz SUQZLZRBNHQFAC-HUUCEWRRSA-N 1 3 350.898 0.990 20 0 FCADHO CN(C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070260766 837640373 /nfs/dbraw/zinc/64/03/73/837640373.db2.gz PUUSEYWVGLMSHO-KGLIPLIRSA-N 1 3 350.398 0.558 20 0 FCADHO C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001071061246 837721588 /nfs/dbraw/zinc/72/15/88/837721588.db2.gz UNLZVJCSDMLQKO-OIISXLGYSA-N 1 3 353.507 0.837 20 0 FCADHO CC1(C)CCN(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071086118 837730073 /nfs/dbraw/zinc/73/00/73/837730073.db2.gz PZAJPGZJVRXESI-AEFFLSMTSA-N 1 3 353.507 0.696 20 0 FCADHO CC1CCN(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)CC1 ZINC001071095954 837733046 /nfs/dbraw/zinc/73/30/46/837733046.db2.gz YXLQOUBIGSSTNV-MJGOQNOKSA-N 1 3 353.507 0.696 20 0 FCADHO COCCOCCOCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702582930 836099734 /nfs/dbraw/zinc/09/97/34/836099734.db2.gz BFZXIPTULCEDDG-IBGZPJMESA-N 1 3 352.475 0.893 20 0 FCADHO COCCOCCOCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702582930 836099743 /nfs/dbraw/zinc/09/97/43/836099743.db2.gz BFZXIPTULCEDDG-IBGZPJMESA-N 1 3 352.475 0.893 20 0 FCADHO CCN(CC)C(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353055 844156059 /nfs/dbraw/zinc/15/60/59/844156059.db2.gz QNPNZBOZZAXGJZ-MDZRGWNJSA-N 1 3 352.523 0.975 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000751040687 836461406 /nfs/dbraw/zinc/46/14/06/836461406.db2.gz VXWJPAQTCKIJSQ-OAHLLOKOSA-N 1 3 355.552 0.487 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001065210145 836823266 /nfs/dbraw/zinc/82/32/66/836823266.db2.gz AYPHSCKJZDIIQV-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001065210145 836823278 /nfs/dbraw/zinc/82/32/78/836823278.db2.gz AYPHSCKJZDIIQV-OWCLPIDISA-N 1 3 354.495 0.010 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102013326 844374108 /nfs/dbraw/zinc/37/41/08/844374108.db2.gz VORUFGXTYFDPOV-OAGGEKHMSA-N 1 3 354.474 0.642 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102013326 844374116 /nfs/dbraw/zinc/37/41/16/844374116.db2.gz VORUFGXTYFDPOV-OAGGEKHMSA-N 1 3 354.474 0.642 20 0 FCADHO C[C@H]1CCN(CC(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079259537 839502327 /nfs/dbraw/zinc/50/23/27/839502327.db2.gz FMSULEXAVIDAFT-YESZJQIVSA-N 1 3 351.491 0.260 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312804 844464450 /nfs/dbraw/zinc/46/44/50/844464450.db2.gz ORHIEKFJQUWJSE-NVXWUHKLSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001080667407 839773868 /nfs/dbraw/zinc/77/38/68/839773868.db2.gz CJRIHSRQAPEORL-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001080667407 839773873 /nfs/dbraw/zinc/77/38/73/839773873.db2.gz CJRIHSRQAPEORL-ZACQAIPSSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377326 844480821 /nfs/dbraw/zinc/48/08/21/844480821.db2.gz ZPAWQTJSWVTVRD-HZPDHXFCSA-N 1 3 350.511 0.940 20 0 FCADHO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377326 844480823 /nfs/dbraw/zinc/48/08/23/844480823.db2.gz ZPAWQTJSWVTVRD-HZPDHXFCSA-N 1 3 350.511 0.940 20 0 FCADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)N1CCCCCC1 ZINC001102430533 844496954 /nfs/dbraw/zinc/49/69/54/844496954.db2.gz VMWYBTVOFKSYNH-KZNAEPCWSA-N 1 3 355.523 0.944 20 0 FCADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)N1CCCCCC1 ZINC001102430533 844496960 /nfs/dbraw/zinc/49/69/60/844496960.db2.gz VMWYBTVOFKSYNH-KZNAEPCWSA-N 1 3 355.523 0.944 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102475584 844515852 /nfs/dbraw/zinc/51/58/52/844515852.db2.gz UXAACHNHHBFOFG-HZPDHXFCSA-N 1 3 355.527 0.720 20 0 FCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102475584 844515856 /nfs/dbraw/zinc/51/58/56/844515856.db2.gz UXAACHNHHBFOFG-HZPDHXFCSA-N 1 3 355.527 0.720 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082557500 840463675 /nfs/dbraw/zinc/46/36/75/840463675.db2.gz JHLXSLRFKSMBAO-BZUAXINKSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082561607 840466240 /nfs/dbraw/zinc/46/62/40/840466240.db2.gz DZQVWALNKUHMTG-IIAWOOMASA-N 1 3 357.520 0.342 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514397 844546101 /nfs/dbraw/zinc/54/61/01/844546101.db2.gz WBCWPSZCZYTKCS-IXDOHACOSA-N 1 3 352.523 0.881 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514397 844546108 /nfs/dbraw/zinc/54/61/08/844546108.db2.gz WBCWPSZCZYTKCS-IXDOHACOSA-N 1 3 352.523 0.881 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513890 844544988 /nfs/dbraw/zinc/54/49/88/844544988.db2.gz FKYWFKPAGLTNOS-IXDOHACOSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)N(C)C(=O)CN1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513890 844544989 /nfs/dbraw/zinc/54/49/89/844544989.db2.gz FKYWFKPAGLTNOS-IXDOHACOSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082743880 840544761 /nfs/dbraw/zinc/54/47/61/840544761.db2.gz HHGRXNFSCBWMDJ-BZUAXINKSA-N 1 3 371.547 0.590 20 0 FCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C ZINC001102524437 844552284 /nfs/dbraw/zinc/55/22/84/844552284.db2.gz FIHPJKTWMRMNSG-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C ZINC001102524437 844552288 /nfs/dbraw/zinc/55/22/88/844552288.db2.gz FIHPJKTWMRMNSG-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082919913 840602272 /nfs/dbraw/zinc/60/22/72/840602272.db2.gz KBSFMAIBGSZZJW-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082919913 840602279 /nfs/dbraw/zinc/60/22/79/840602279.db2.gz KBSFMAIBGSZZJW-BRWVUGGUSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083523238 841120854 /nfs/dbraw/zinc/12/08/54/841120854.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001083523238 841120861 /nfs/dbraw/zinc/12/08/61/841120861.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001083523238 841120862 /nfs/dbraw/zinc/12/08/62/841120862.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001083523238 841120870 /nfs/dbraw/zinc/12/08/70/841120870.db2.gz UZNLPPRCJLOSMN-KURKYZTESA-N 1 3 351.491 0.591 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195909 /nfs/dbraw/zinc/19/59/09/861195909.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 1 3 352.523 0.319 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195912 /nfs/dbraw/zinc/19/59/12/861195912.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 1 3 352.523 0.319 20 0 FCADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195913 /nfs/dbraw/zinc/19/59/13/861195913.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 1 3 352.523 0.319 20 0 FCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083833023 841477237 /nfs/dbraw/zinc/47/72/37/841477237.db2.gz FYUHURIQWVYAAW-KURKYZTESA-N 1 3 353.507 0.696 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083908458 841555721 /nfs/dbraw/zinc/55/57/21/841555721.db2.gz FGNSHTLYRZVOJY-JQHSSLGASA-N 1 3 353.507 0.695 20 0 FCADHO O=C(N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959307 841605119 /nfs/dbraw/zinc/60/51/19/841605119.db2.gz QNAZVANURSOSCZ-SJORKVTESA-N 1 3 351.491 0.450 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086695136 842153092 /nfs/dbraw/zinc/15/30/92/842153092.db2.gz COXKLRGVMTUMMA-BBWFWOEESA-N 1 3 350.507 0.966 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(C)no1 ZINC001087100389 842288844 /nfs/dbraw/zinc/28/88/44/842288844.db2.gz QYJSGKGRTNFUQM-ZMSDIMECSA-N 1 3 350.463 0.888 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(C)no1 ZINC001087100389 842288852 /nfs/dbraw/zinc/28/88/52/842288852.db2.gz QYJSGKGRTNFUQM-ZMSDIMECSA-N 1 3 350.463 0.888 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087828200 842441472 /nfs/dbraw/zinc/44/14/72/842441472.db2.gz DJYOAXIZLWCOEF-QLFBSQMISA-N 1 3 350.463 0.056 20 0 FCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCN1C(=O)CCC1=O ZINC001087828200 842441481 /nfs/dbraw/zinc/44/14/81/842441481.db2.gz DJYOAXIZLWCOEF-QLFBSQMISA-N 1 3 350.463 0.056 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088109433 842534846 /nfs/dbraw/zinc/53/48/46/842534846.db2.gz FHIYJDIJKBAPLH-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1)N(C)C ZINC001088109433 842534849 /nfs/dbraw/zinc/53/48/49/842534849.db2.gz FHIYJDIJKBAPLH-IKGGRYGDSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001088981201 842734001 /nfs/dbraw/zinc/73/40/01/842734001.db2.gz HOTFYHJRPIPHTI-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCCN1CCCC1=O ZINC001088981201 842734005 /nfs/dbraw/zinc/73/40/05/842734005.db2.gz HOTFYHJRPIPHTI-IKGGRYGDSA-N 1 3 350.507 0.920 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672256 843272128 /nfs/dbraw/zinc/27/21/28/843272128.db2.gz XDKOQHKGBWVSHR-IXDOHACOSA-N 1 3 352.523 0.737 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092672256 843272140 /nfs/dbraw/zinc/27/21/40/843272140.db2.gz XDKOQHKGBWVSHR-IXDOHACOSA-N 1 3 352.523 0.737 20 0 FCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721425 843284917 /nfs/dbraw/zinc/28/49/17/843284917.db2.gz MOTKZPFYLLYKPX-BZUAXINKSA-N 1 3 350.507 0.810 20 0 FCADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001093991889 843500021 /nfs/dbraw/zinc/50/00/21/843500021.db2.gz IBYUHRHHNFNJJM-IIAWOOMASA-N 1 3 367.519 0.831 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094131252 843518960 /nfs/dbraw/zinc/51/89/60/843518960.db2.gz YLKPRIXJLYHLEB-BRWVUGGUSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099261106 843995174 /nfs/dbraw/zinc/99/51/74/843995174.db2.gz KOFBSNYZORARNL-MGPQQGTHSA-N 1 3 351.413 0.936 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099261106 843995179 /nfs/dbraw/zinc/99/51/79/843995179.db2.gz KOFBSNYZORARNL-MGPQQGTHSA-N 1 3 351.413 0.936 20 0 FCADHO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083620 844697941 /nfs/dbraw/zinc/69/79/41/844697941.db2.gz AIGVVTBGRKWFFO-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083620 844697948 /nfs/dbraw/zinc/69/79/48/844697948.db2.gz AIGVVTBGRKWFFO-OAGGEKHMSA-N 1 3 350.507 0.824 20 0 FCADHO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086687 844698652 /nfs/dbraw/zinc/69/86/52/844698652.db2.gz MYJHJKFTUOIWQV-KYJSFNMBSA-N 1 3 352.523 0.879 20 0 FCADHO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086687 844698656 /nfs/dbraw/zinc/69/86/56/844698656.db2.gz MYJHJKFTUOIWQV-KYJSFNMBSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090243 844699025 /nfs/dbraw/zinc/69/90/25/844699025.db2.gz OTMPRXRLHGMRDQ-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090243 844699029 /nfs/dbraw/zinc/69/90/29/844699029.db2.gz OTMPRXRLHGMRDQ-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO CCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395605 844751375 /nfs/dbraw/zinc/75/13/75/844751375.db2.gz BWWNGKRRWJDQDL-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103664440 844798119 /nfs/dbraw/zinc/79/81/19/844798119.db2.gz BVJSVNZYFLATCN-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001103664440 844798121 /nfs/dbraw/zinc/79/81/21/844798121.db2.gz BVJSVNZYFLATCN-NVXWUHKLSA-N 1 3 352.523 0.929 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718752 844807584 /nfs/dbraw/zinc/80/75/84/844807584.db2.gz DDTBEBMOMXTMBF-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718752 844807586 /nfs/dbraw/zinc/80/75/86/844807586.db2.gz DDTBEBMOMXTMBF-BZUAXINKSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104732094 844936233 /nfs/dbraw/zinc/93/62/33/844936233.db2.gz NOQYGOHPSRQPQU-ZIAGYGMSSA-N 1 3 356.492 0.461 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104938313 844961609 /nfs/dbraw/zinc/96/16/09/844961609.db2.gz SWTBIVLLJBVERN-HZPDHXFCSA-N 1 3 353.511 0.428 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001105064243 844976743 /nfs/dbraw/zinc/97/67/43/844976743.db2.gz FOTPGZHJYAJMIL-RBSFLKMASA-N 1 3 352.479 0.206 20 0 FCADHO COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655353 845010054 /nfs/dbraw/zinc/01/00/54/845010054.db2.gz HRRQVAGGESPVMW-JOCBIADPSA-N 1 3 350.463 0.565 20 0 FCADHO COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001105655355 845010618 /nfs/dbraw/zinc/01/06/18/845010618.db2.gz HRRQVAGGESPVMW-XYVMCAHJSA-N 1 3 350.463 0.565 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106249665 845143115 /nfs/dbraw/zinc/14/31/15/845143115.db2.gz MQUKHYUDOBUKQD-FVQBIDKESA-N 1 3 359.536 0.445 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2nncs2)[C@H](C)C1)N(C)C ZINC001106313307 845153287 /nfs/dbraw/zinc/15/32/87/845153287.db2.gz WKMZFGXADJTEJY-JHJVBQTASA-N 1 3 368.507 0.501 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001106672850 845221306 /nfs/dbraw/zinc/22/13/06/845221306.db2.gz MCELCQFBSMFMHD-OAGGEKHMSA-N 1 3 352.523 0.879 20 0 FCADHO Cc1cc(CNC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)nn1C ZINC001106878365 845277096 /nfs/dbraw/zinc/27/70/96/845277096.db2.gz NNVVJBNYWPNKCV-GDBMZVCRSA-N 1 3 351.495 0.491 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001106910505 845284907 /nfs/dbraw/zinc/28/49/07/845284907.db2.gz ATVKKYFCQZHIRR-IXDOHACOSA-N 1 3 352.523 0.929 20 0 FCADHO CCOC(=O)C[C@H](O)CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276829916 861642850 /nfs/dbraw/zinc/64/28/50/861642850.db2.gz YTKMKQLITYBMPX-LSDHHAIUSA-N 1 3 355.479 0.080 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1CN(CCNC(=O)C1CC1)C2 ZINC001111858211 846233795 /nfs/dbraw/zinc/23/37/95/846233795.db2.gz UFTMRDZXMFCJLP-LPHOPBHVSA-N 1 3 350.507 0.825 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111910321 846257281 /nfs/dbraw/zinc/25/72/81/846257281.db2.gz UEVWQDWBXILAPS-DEYYWGMASA-N 1 3 350.463 0.104 20 0 FCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111910321 846257292 /nfs/dbraw/zinc/25/72/92/846257292.db2.gz UEVWQDWBXILAPS-DEYYWGMASA-N 1 3 350.463 0.104 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1CN(CCOCC(F)F)C2 ZINC001111939647 846269224 /nfs/dbraw/zinc/26/92/24/846269224.db2.gz KVDLLAPSAXLUHG-YOEHRIQHSA-N 1 3 363.449 0.817 20 0 FCADHO CCOCC[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276874699 861663733 /nfs/dbraw/zinc/66/37/33/861663733.db2.gz OLNOGRYNUKMUJS-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO CCOCC[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276874699 861663741 /nfs/dbraw/zinc/66/37/41/861663741.db2.gz OLNOGRYNUKMUJS-LJQANCHMSA-N 1 3 352.523 0.585 20 0 FCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116211 846395096 /nfs/dbraw/zinc/39/50/96/846395096.db2.gz QPEBQNUODLYAAS-BFHYXJOUSA-N 1 3 367.412 0.457 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001112120090 846398378 /nfs/dbraw/zinc/39/83/78/846398378.db2.gz CGAHMZMXMQGVHH-UMSGYPCISA-N 1 3 355.401 0.313 20 0 FCADHO COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401683 846500719 /nfs/dbraw/zinc/50/07/19/846500719.db2.gz SDZWGNWRBUPISE-WDYCEAGBSA-N 1 3 353.507 0.696 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112548787 846521222 /nfs/dbraw/zinc/52/12/22/846521222.db2.gz RNVURADCHGONLK-RDJZCZTQSA-N 1 3 359.536 0.591 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112567290 846526087 /nfs/dbraw/zinc/52/60/87/846526087.db2.gz HFQDVDBCTVOYFQ-RDJZCZTQSA-N 1 3 359.536 0.591 20 0 FCADHO C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276974722 861719984 /nfs/dbraw/zinc/71/99/84/861719984.db2.gz ZBUJNNMVTROREW-RCCFBDPRSA-N 1 3 352.523 0.318 20 0 FCADHO C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276974722 861719993 /nfs/dbraw/zinc/71/99/93/861719993.db2.gz ZBUJNNMVTROREW-RCCFBDPRSA-N 1 3 352.523 0.318 20 0 FCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC001117847294 847183405 /nfs/dbraw/zinc/18/34/05/847183405.db2.gz PGLUJTZOIQQMDR-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001118175874 847310907 /nfs/dbraw/zinc/31/09/07/847310907.db2.gz DXINFRYIDZGUBD-QGZVFWFLSA-N 1 3 366.531 0.934 20 0 FCADHO CN1CCC[C@@H](NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)C1 ZINC001121910016 848413419 /nfs/dbraw/zinc/41/34/19/848413419.db2.gz GHYUGWYGLDVJFZ-LLVKDONJSA-N 1 3 357.252 0.394 20 0 FCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001121993644 848431275 /nfs/dbraw/zinc/43/12/75/848431275.db2.gz WYTPNWSFCSCYGI-QCEMKRCNSA-N 1 3 351.495 0.497 20 0 FCADHO Cc1ccc(CN(C)C(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127644291 848730288 /nfs/dbraw/zinc/73/02/88/848730288.db2.gz YOFLSTRDNSIMJT-GDBMZVCRSA-N 1 3 350.463 0.592 20 0 FCADHO Cc1ccc(CN(C)C(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127644291 848730292 /nfs/dbraw/zinc/73/02/92/848730292.db2.gz YOFLSTRDNSIMJT-GDBMZVCRSA-N 1 3 350.463 0.592 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2cccs2)CC[N@@H+]1C ZINC001127660332 848731486 /nfs/dbraw/zinc/73/14/86/848731486.db2.gz WGMCMJRNGQLCGR-UKRRQHHQSA-N 1 3 352.504 0.753 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2cccs2)CC[N@H+]1C ZINC001127660332 848731491 /nfs/dbraw/zinc/73/14/91/848731491.db2.gz WGMCMJRNGQLCGR-UKRRQHHQSA-N 1 3 352.504 0.753 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127701693 848732968 /nfs/dbraw/zinc/73/29/68/848732968.db2.gz WBTGHJBCNPYXPL-QWHCGFSZSA-N 1 3 355.483 0.047 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127701693 848732973 /nfs/dbraw/zinc/73/29/73/848732973.db2.gz WBTGHJBCNPYXPL-QWHCGFSZSA-N 1 3 355.483 0.047 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1n1ccnn1 ZINC001129370743 848835455 /nfs/dbraw/zinc/83/54/55/848835455.db2.gz ZYONNMRLGNVOPM-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1n1ccnn1 ZINC001129370743 848835457 /nfs/dbraw/zinc/83/54/57/848835457.db2.gz ZYONNMRLGNVOPM-CVEARBPZSA-N 1 3 352.483 0.388 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894628 848910125 /nfs/dbraw/zinc/91/01/25/848910125.db2.gz LRPUTWUGTRWJLK-CABCVRRESA-N 1 3 350.467 0.140 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001130009566 848930777 /nfs/dbraw/zinc/93/07/77/848930777.db2.gz WDHPSPIZPBYCKH-PMPSAXMXSA-N 1 3 352.483 0.385 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130047889 848936155 /nfs/dbraw/zinc/93/61/55/848936155.db2.gz YHRBLLULONKMFZ-OAGGEKHMSA-N 1 3 352.483 0.122 20 0 FCADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1)N(C)C ZINC001131515387 849116490 /nfs/dbraw/zinc/11/64/90/849116490.db2.gz HNXMMNDPPQAXRB-SQNIBIBYSA-N 1 3 355.523 0.941 20 0 FCADHO CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3cnc(N)s3)CC[C@@H]2C1 ZINC001139228390 849331388 /nfs/dbraw/zinc/33/13/88/849331388.db2.gz YZMCAQHOUPFIAM-TZMCWYRMSA-N 1 3 353.492 0.336 20 0 FCADHO CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3cnc(N)s3)CC[C@@H]2C1 ZINC001139228390 849331399 /nfs/dbraw/zinc/33/13/99/849331399.db2.gz YZMCAQHOUPFIAM-TZMCWYRMSA-N 1 3 353.492 0.336 20 0 FCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(Cl)cc1)NC ZINC001157344792 849966257 /nfs/dbraw/zinc/96/62/57/849966257.db2.gz XWQJLXSYZTXHIH-GJZGRUSLSA-N 1 3 354.882 0.830 20 0 FCADHO CCCCOC[C@H](O)CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277778926 862076003 /nfs/dbraw/zinc/07/60/03/862076003.db2.gz VEQNWNGJKMOZDO-SJLPKXTDSA-N 1 3 357.495 0.029 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157715842 849987564 /nfs/dbraw/zinc/98/75/64/849987564.db2.gz JGDMCFGGINFHMR-JYJNAYRXSA-N 1 3 356.511 0.338 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H](c1ccsc1)N1CCC[C@@H]([NH3+])C1 ZINC001157716667 849988903 /nfs/dbraw/zinc/98/89/03/849988903.db2.gz QMXQZRSMKDQJQY-OWCLPIDISA-N 1 3 352.504 0.659 20 0 FCADHO C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157856999 850000662 /nfs/dbraw/zinc/00/06/62/850000662.db2.gz YTZZOEWEQPXBPD-FZKCQIBNSA-N 1 3 354.495 0.053 20 0 FCADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102209 850017814 /nfs/dbraw/zinc/01/78/14/850017814.db2.gz PFMRQLOVTBJWQH-WMLDXEAASA-N 1 3 350.850 0.161 20 0 FCADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215441 850026414 /nfs/dbraw/zinc/02/64/14/850026414.db2.gz NCOZBGQWLWBHJC-XDQVBPFNSA-N 1 3 374.576 0.268 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159593241 850122349 /nfs/dbraw/zinc/12/23/49/850122349.db2.gz AMQKHQNGPIXKDZ-ARFHVFGLSA-N 1 3 362.499 0.802 20 0 FCADHO [NH3+][C@@H](CC(F)F)C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667478 850128296 /nfs/dbraw/zinc/12/82/96/850128296.db2.gz UNWWJXBVSNKQNM-ILXRZTDVSA-N 1 3 354.401 0.866 20 0 FCADHO O=C(N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159746361 850133832 /nfs/dbraw/zinc/13/38/32/850133832.db2.gz MWMUHAAEACVMMS-MJXUCMMTSA-N 1 3 360.483 0.653 20 0 FCADHO CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H](N)CCC[NH3+])n1 ZINC001160325413 850166323 /nfs/dbraw/zinc/16/63/23/850166323.db2.gz JPYPTENMDVRAFA-KBPBESRZSA-N 1 3 350.467 0.289 20 0 FCADHO N[C@@H](C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160611190 850185215 /nfs/dbraw/zinc/18/52/15/850185215.db2.gz SFRIPMQNYISADH-HZPDHXFCSA-N 1 3 351.472 0.388 20 0 FCADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160746473 850196546 /nfs/dbraw/zinc/19/65/46/850196546.db2.gz JTIOJYSSARZIOO-HUUCEWRRSA-N 1 3 352.479 0.004 20 0 FCADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160746473 850196550 /nfs/dbraw/zinc/19/65/50/850196550.db2.gz JTIOJYSSARZIOO-HUUCEWRRSA-N 1 3 352.479 0.004 20 0 FCADHO COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160947361 850214820 /nfs/dbraw/zinc/21/48/20/850214820.db2.gz GJZUJISXKHFJNK-ZFWWWQNUSA-N 1 3 353.488 0.986 20 0 FCADHO CSc1nc(Cl)cc(N2CCCN(C(=O)[C@@H](N)CCC[NH3+])CC2)n1 ZINC001161054006 850225328 /nfs/dbraw/zinc/22/53/28/850225328.db2.gz HDMBCIZDKSIGEM-NSHDSACASA-N 1 3 372.926 0.957 20 0 FCADHO O=C([C@@H]1CNCCN1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152170 850234460 /nfs/dbraw/zinc/23/44/60/850234460.db2.gz AEEIIEFYFFHYCU-NSHDSACASA-N 1 3 358.368 0.142 20 0 FCADHO C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)Cc2nnc(C(F)(F)F)n21 ZINC001161145590 850234606 /nfs/dbraw/zinc/23/46/06/850234606.db2.gz GBPSMUROCGETEW-IMSIIYSGSA-N 1 3 358.368 0.399 20 0 FCADHO N[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001161239350 850242891 /nfs/dbraw/zinc/24/28/91/850242891.db2.gz ZMVMDLHETWABDA-HUUCEWRRSA-N 1 3 350.850 0.666 20 0 FCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269780 850245960 /nfs/dbraw/zinc/24/59/60/850245960.db2.gz LUWZWMFDYNRJJR-INIZCTEOSA-N 1 3 374.551 0.462 20 0 FCADHO CS(=O)(=O)c1cccc(C2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)c1 ZINC001161366817 850254719 /nfs/dbraw/zinc/25/47/19/850254719.db2.gz AZCNBZREACNGNL-INIZCTEOSA-N 1 3 353.488 0.862 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001161457324 850261383 /nfs/dbraw/zinc/26/13/83/850261383.db2.gz RUKZFDBGUYBKPB-INIZCTEOSA-N 1 3 362.499 0.483 20 0 FCADHO COc1ccc(CSC[C@H](N)C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161511478 850265967 /nfs/dbraw/zinc/26/59/67/850265967.db2.gz ZUGZCXCXGAGXHY-GJZGRUSLSA-N 1 3 351.472 0.442 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520073 850266929 /nfs/dbraw/zinc/26/69/29/850266929.db2.gz IJGACQFAJXYDTE-MNOVXSKESA-N 1 3 362.297 0.438 20 0 FCADHO CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550491 850270702 /nfs/dbraw/zinc/27/07/02/850270702.db2.gz KJGZLKBKMREJIT-KBPBESRZSA-N 1 3 352.479 0.084 20 0 FCADHO CS(=O)(=O)N1CCN(c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)n2)CC1 ZINC001162391573 850312877 /nfs/dbraw/zinc/31/28/77/850312877.db2.gz BZEMKWDKPAQBFP-ZIAGYGMSSA-N 1 3 353.492 0.845 20 0 FCADHO CN1[C@@H]2CC[C@H]1C[C@H](NS(=O)(=O)c1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001169125768 850605681 /nfs/dbraw/zinc/60/56/81/850605681.db2.gz KZAAWHSCBMCZAM-XGBSXSJOSA-N 1 3 364.515 1.000 20 0 FCADHO C[C@H](CN)C[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181411 850609099 /nfs/dbraw/zinc/60/90/99/850609099.db2.gz PDZJZQKJSJHUCW-CHWSQXEVSA-N 1 3 350.467 0.177 20 0 FCADHO COCCOCCN1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317162 851777863 /nfs/dbraw/zinc/77/78/63/851777863.db2.gz HOIYCIXGZQHWCU-ZWKOTPCHSA-N 1 3 353.507 0.914 20 0 FCADHO COCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2 ZINC001278276156 862286097 /nfs/dbraw/zinc/28/60/97/862286097.db2.gz GGUPBJLLOOSBPI-KSZLIROESA-N 1 3 351.491 0.809 20 0 FCADHO COCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2 ZINC001278276156 862286112 /nfs/dbraw/zinc/28/61/12/862286112.db2.gz GGUPBJLLOOSBPI-KSZLIROESA-N 1 3 351.491 0.809 20 0 FCADHO CN(C)C(=O)CN1C[C@@H]2C(=O)NC3(CC[NH+](CC(C)(C)C)CC3)[C@H]2C1 ZINC001278385409 862309794 /nfs/dbraw/zinc/30/97/94/862309794.db2.gz LYJAMXSYOHSPBC-GJZGRUSLSA-N 1 3 350.507 0.633 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199057524 853361310 /nfs/dbraw/zinc/36/13/10/853361310.db2.gz LSZRSPNMRGPKKN-RCCFBDPRSA-N 1 3 353.507 0.983 20 0 FCADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536147 853501375 /nfs/dbraw/zinc/50/13/75/853501375.db2.gz AGBJIVPRBXRZCL-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536147 853501378 /nfs/dbraw/zinc/50/13/78/853501378.db2.gz AGBJIVPRBXRZCL-OWCLPIDISA-N 1 3 354.495 0.012 20 0 FCADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200538387 853502360 /nfs/dbraw/zinc/50/23/60/853502360.db2.gz ZKQVOZVHJMQDIL-OWCLPIDISA-N 1 3 354.495 0.058 20 0 FCADHO CC(C)NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200538387 853502368 /nfs/dbraw/zinc/50/23/68/853502368.db2.gz ZKQVOZVHJMQDIL-OWCLPIDISA-N 1 3 354.495 0.058 20 0 FCADHO CCN(CC)CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001205513509 853619185 /nfs/dbraw/zinc/61/91/85/853619185.db2.gz LOVKDMUJJMMLGH-YESZJQIVSA-N 1 3 353.507 0.648 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854648 /nfs/dbraw/zinc/85/46/48/853854648.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 1 3 351.495 0.411 20 0 FCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854649 /nfs/dbraw/zinc/85/46/49/853854649.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 1 3 351.495 0.411 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854651 /nfs/dbraw/zinc/85/46/51/853854651.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 1 3 351.495 0.411 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001207750762 853854652 /nfs/dbraw/zinc/85/46/52/853854652.db2.gz XIWCTVYBYMSDPZ-OWCLPIDISA-N 1 3 351.495 0.411 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036707 853884683 /nfs/dbraw/zinc/88/46/83/853884683.db2.gz WCUMHNNTRPLJDG-QCZOYZIOSA-N 1 3 351.491 0.711 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208036707 853884690 /nfs/dbraw/zinc/88/46/90/853884690.db2.gz WCUMHNNTRPLJDG-QCZOYZIOSA-N 1 3 351.491 0.711 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)CC3CC3)C2)CC[N@@H+]1C ZINC001208070598 853891905 /nfs/dbraw/zinc/89/19/05/853891905.db2.gz NSGITOMRLHPPTA-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)CC3CC3)C2)CC[N@H+]1C ZINC001208070598 853891906 /nfs/dbraw/zinc/89/19/06/853891906.db2.gz NSGITOMRLHPPTA-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435242 853934902 /nfs/dbraw/zinc/93/49/02/853934902.db2.gz YCVLLNVOMQJKGC-IXDOHACOSA-N 1 3 353.507 0.960 20 0 FCADHO CCOC(C)(C)C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001209073026 853995553 /nfs/dbraw/zinc/99/55/53/853995553.db2.gz QDAOJRCUJKHQEL-UHFFFAOYSA-N 1 3 354.539 0.972 20 0 FCADHO CO[C@@H]1CN(CCC2CCOCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342036 854581793 /nfs/dbraw/zinc/58/17/93/854581793.db2.gz CKNZEIRSPOSWSH-IAGOWNOFSA-N 1 3 353.507 0.960 20 0 FCADHO CO[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213859784 854794480 /nfs/dbraw/zinc/79/44/80/854794480.db2.gz KOAWXCDOBTWPNX-MGPQQGTHSA-N 1 3 367.412 0.723 20 0 FCADHO CO[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213859784 854794487 /nfs/dbraw/zinc/79/44/87/854794487.db2.gz KOAWXCDOBTWPNX-MGPQQGTHSA-N 1 3 367.412 0.723 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214855646 855023497 /nfs/dbraw/zinc/02/34/97/855023497.db2.gz JUHSVXVVXJDNLX-MZMPZRCHSA-N 1 3 350.507 0.679 20 0 FCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214863702 855025327 /nfs/dbraw/zinc/02/53/27/855025327.db2.gz UZOUKVCTDLNEFZ-GDBMZVCRSA-N 1 3 359.536 0.732 20 0 FCADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904974 855031116 /nfs/dbraw/zinc/03/11/16/855031116.db2.gz SHRLTYFWONQDSG-INMHGKMJSA-N 1 3 356.511 0.162 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1)N(C)C ZINC001214952565 855039055 /nfs/dbraw/zinc/03/90/55/855039055.db2.gz BJISDMIEXJFPKT-BZUAXINKSA-N 1 3 361.552 0.976 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215414363 855112376 /nfs/dbraw/zinc/11/23/76/855112376.db2.gz VCXYEOCAOHFLHU-GDBMZVCRSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215416689 855112503 /nfs/dbraw/zinc/11/25/03/855112503.db2.gz WQACKXIDNOKRMO-GDBMZVCRSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C1CC1 ZINC001215453431 855117117 /nfs/dbraw/zinc/11/71/17/855117117.db2.gz AVRCGUQLOPJSKX-CKEIUWERSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001215453777 855117177 /nfs/dbraw/zinc/11/71/77/855117177.db2.gz QWFKSMXXUVWYHH-GDBMZVCRSA-N 1 3 352.523 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215453632 855117201 /nfs/dbraw/zinc/11/72/01/855117201.db2.gz LKDFCWZLKQCPLR-RHSMWYFYSA-N 1 3 350.507 0.633 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215541342 855127068 /nfs/dbraw/zinc/12/70/68/855127068.db2.gz YRJQWFAQWIKEKC-BZUAXINKSA-N 1 3 353.511 0.615 20 0 FCADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215541343 855127251 /nfs/dbraw/zinc/12/72/51/855127251.db2.gz YRJQWFAQWIKEKC-OWCLPIDISA-N 1 3 353.511 0.615 20 0 FCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215774213 855144773 /nfs/dbraw/zinc/14/47/73/855144773.db2.gz LLKBGSFUDAZGHA-DJIMGWMZSA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215774213 855144775 /nfs/dbraw/zinc/14/47/75/855144775.db2.gz LLKBGSFUDAZGHA-DJIMGWMZSA-N 1 3 350.507 0.964 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216983 855180331 /nfs/dbraw/zinc/18/03/31/855180331.db2.gz FXZPKHFGZMSKNZ-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216216983 855180334 /nfs/dbraw/zinc/18/03/34/855180334.db2.gz FXZPKHFGZMSKNZ-ZIAGYGMSSA-N 1 3 355.483 0.001 20 0 FCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327426 855192430 /nfs/dbraw/zinc/19/24/30/855192430.db2.gz STXPRYPMYHFUQD-RHSMWYFYSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001216383831 855196308 /nfs/dbraw/zinc/19/63/08/855196308.db2.gz QSKSUNAGVJNACQ-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCCC1 ZINC001216383831 855196311 /nfs/dbraw/zinc/19/63/11/855196311.db2.gz QSKSUNAGVJNACQ-BFYDXBDKSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216830273 855252583 /nfs/dbraw/zinc/25/25/83/855252583.db2.gz NKCRFIJZEROTQW-NVXWUHKLSA-N 1 3 350.507 0.825 20 0 FCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)C1=O ZINC001216835964 855253239 /nfs/dbraw/zinc/25/32/39/855253239.db2.gz PPGANIOPFGSIPV-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113662 855398441 /nfs/dbraw/zinc/39/84/41/855398441.db2.gz CLZVQPOFOSOLGH-QGHHPUGFSA-N 1 3 350.419 0.282 20 0 FCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218102997 855398731 /nfs/dbraw/zinc/39/87/31/855398731.db2.gz OLJYNGRQFRABHG-STQMWFEESA-N 1 3 351.472 0.577 20 0 FCADHO O=C(Nc1ncnc2[nH]cc(Br)c21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218614052 855450316 /nfs/dbraw/zinc/45/03/16/855450316.db2.gz ABHMUEYNPWRHSY-ZETCQYMHSA-N 1 3 351.208 0.468 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc[nH]c1=S ZINC001218622555 855451907 /nfs/dbraw/zinc/45/19/07/855451907.db2.gz RLZARBPNIXGUAI-AAEUAGOBSA-N 1 3 351.476 0.756 20 0 FCADHO C[C@H](COCC(=O)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21)[NH+]1CCCC1 ZINC001218650703 855458662 /nfs/dbraw/zinc/45/86/62/855458662.db2.gz IBPGSTQKQZYDER-BPQIPLTHSA-N 1 3 351.491 0.809 20 0 FCADHO O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218699391 855466698 /nfs/dbraw/zinc/46/66/98/855466698.db2.gz YPPRUECAOVXUDB-SJKOYZFVSA-N 1 3 365.865 0.709 20 0 FCADHO CC(C)(C)[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218776456 855478462 /nfs/dbraw/zinc/47/84/62/855478462.db2.gz KZJJNYFLYJKGJE-UMNHJUIQSA-N 1 3 370.885 0.003 20 0 FCADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218893220 855492102 /nfs/dbraw/zinc/49/21/02/855492102.db2.gz ZZQRXACNNXPTDA-OAHLLOKOSA-N 1 3 354.476 0.044 20 0 FCADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cc2c(s1)CNCC2 ZINC001219843924 855843477 /nfs/dbraw/zinc/84/34/77/855843477.db2.gz FSCDXABSJBPGMI-SJKOYZFVSA-N 1 3 351.472 0.519 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903253 855871986 /nfs/dbraw/zinc/87/19/86/855871986.db2.gz WNAIPDXGMIJNRN-ZACQAIPSSA-N 1 3 355.523 0.819 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219903253 855871992 /nfs/dbraw/zinc/87/19/92/855871992.db2.gz WNAIPDXGMIJNRN-ZACQAIPSSA-N 1 3 355.523 0.819 20 0 FCADHO CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034356 855928477 /nfs/dbraw/zinc/92/84/77/855928477.db2.gz RXTMNLACVNMOGS-XFHVWQCUSA-N 1 3 351.491 0.447 20 0 FCADHO CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034356 855928481 /nfs/dbraw/zinc/92/84/81/855928481.db2.gz RXTMNLACVNMOGS-XFHVWQCUSA-N 1 3 351.491 0.447 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)CCCCC1 ZINC001220072039 855945956 /nfs/dbraw/zinc/94/59/56/855945956.db2.gz BVICPYYEORPQJU-ZACQAIPSSA-N 1 3 353.507 0.696 20 0 FCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]2O)CCCC1 ZINC001220077930 855949027 /nfs/dbraw/zinc/94/90/27/855949027.db2.gz BSFABRXFLOVNCE-ZACQAIPSSA-N 1 3 353.507 0.981 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1(F)CCOCC1 ZINC001220137018 855977083 /nfs/dbraw/zinc/97/70/83/855977083.db2.gz OBFVPPPYZBDDKH-KBPBESRZSA-N 1 3 358.458 0.069 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)COC1(C)C ZINC001220161286 855988410 /nfs/dbraw/zinc/98/84/10/855988410.db2.gz BGSRFHGIVJEBRY-NUXNZHGMSA-N 1 3 352.479 0.336 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)CC1 ZINC001220200165 856005810 /nfs/dbraw/zinc/00/58/10/856005810.db2.gz CCEWBXAMCAHFML-HOCLYGCPSA-N 1 3 356.511 0.482 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220259053 856033711 /nfs/dbraw/zinc/03/37/11/856033711.db2.gz XAFQSCYMSYYUCC-MRXNPFEDSA-N 1 3 353.511 0.923 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)CCNC1 ZINC001220522591 856166232 /nfs/dbraw/zinc/16/62/32/856166232.db2.gz AOOSSWFGBLAVDC-CZUORRHYSA-N 1 3 350.463 0.130 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220605719 856202481 /nfs/dbraw/zinc/20/24/81/856202481.db2.gz WLXGYSPTUZOLOF-STQMWFEESA-N 1 3 352.236 0.858 20 0 FCADHO CCOC(=O)C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cccc(O)c1 ZINC001220668435 856233749 /nfs/dbraw/zinc/23/37/49/856233749.db2.gz QWKVZNJLLKIBGZ-UONOGXRCSA-N 1 3 355.460 0.522 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220803137 856307747 /nfs/dbraw/zinc/30/77/47/856307747.db2.gz CEHGGWXRAQXXEZ-USZNOCQGSA-N 1 3 352.401 0.521 20 0 FCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001220926678 856378110 /nfs/dbraw/zinc/37/81/10/856378110.db2.gz VZCXWGDHKOMFGF-HNNXBMFYSA-N 1 3 362.540 0.270 20 0 FCADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001221006142 856419509 /nfs/dbraw/zinc/41/95/09/856419509.db2.gz AOKHELFFOGNRAU-KKUMJFAQSA-N 1 3 352.479 0.051 20 0 FCADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001221006142 856419511 /nfs/dbraw/zinc/41/95/11/856419511.db2.gz AOKHELFFOGNRAU-KKUMJFAQSA-N 1 3 352.479 0.051 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222656778 856860977 /nfs/dbraw/zinc/86/09/77/856860977.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222656778 856860984 /nfs/dbraw/zinc/86/09/84/856860984.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222656778 856861008 /nfs/dbraw/zinc/86/10/08/856861008.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 1 3 353.507 0.791 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001222656778 856861014 /nfs/dbraw/zinc/86/10/14/856861014.db2.gz UGZJZYOTNJWADM-SQNIBIBYSA-N 1 3 353.507 0.791 20 0 FCADHO CN1CCN(c2ncc(CN3CCNC[C@]4(CCCC[NH2+]4)C3)s2)CC1 ZINC001222674729 856865051 /nfs/dbraw/zinc/86/50/51/856865051.db2.gz PDJGPMYNHIIRBW-GOSISDBHSA-N 1 3 364.563 0.812 20 0 FCADHO COCCOCCN1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223388176 856911588 /nfs/dbraw/zinc/91/15/88/856911588.db2.gz ZUNFVBWJPZQJPH-SJORKVTESA-N 1 3 353.507 0.914 20 0 FCADHO CC(=O)NCCOCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444055 857160450 /nfs/dbraw/zinc/16/04/50/857160450.db2.gz OHLAHIFOWQVWLP-RHSMWYFYSA-N 1 3 354.495 0.060 20 0 FCADHO CC(=O)NCCOCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444055 857160454 /nfs/dbraw/zinc/16/04/54/857160454.db2.gz OHLAHIFOWQVWLP-RHSMWYFYSA-N 1 3 354.495 0.060 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001228603197 857218637 /nfs/dbraw/zinc/21/86/37/857218637.db2.gz OWGBYQMTSIYDHK-HBUWYVDXSA-N 1 3 356.486 0.962 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001229877360 857291485 /nfs/dbraw/zinc/29/14/85/857291485.db2.gz RFEDPQNDPKIDAF-MGPQQGTHSA-N 1 3 355.483 0.189 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284649 857322836 /nfs/dbraw/zinc/32/28/36/857322836.db2.gz PBMRMJRASHLIAQ-IAGOWNOFSA-N 1 3 356.511 0.496 20 0 FCADHO CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238242241 857464611 /nfs/dbraw/zinc/46/46/11/857464611.db2.gz OEOYAEHESSZOFY-AWEZNQCLSA-N 1 3 366.487 0.199 20 0 FCADHO CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238242241 857464616 /nfs/dbraw/zinc/46/46/16/857464616.db2.gz OEOYAEHESSZOFY-AWEZNQCLSA-N 1 3 366.487 0.199 20 0 FCADHO CC(=O)Nc1cccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238239707 857465120 /nfs/dbraw/zinc/46/51/20/857465120.db2.gz FPFIIIBADLIFNF-OAHLLOKOSA-N 1 3 366.487 0.798 20 0 FCADHO CC(=O)Nc1cccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001238239707 857465126 /nfs/dbraw/zinc/46/51/26/857465126.db2.gz FPFIIIBADLIFNF-OAHLLOKOSA-N 1 3 366.487 0.798 20 0 FCADHO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C[C@H]4CCCN(C)C4)[C@@H]3C2)c1 ZINC001279502042 862918910 /nfs/dbraw/zinc/91/89/10/862918910.db2.gz MHGSMEQHKCAEPB-HRCADAONSA-N 1 3 367.519 0.457 20 0 FCADHO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C[C@H]4CCCN(C)C4)[C@@H]3C2)c1 ZINC001279502042 862918925 /nfs/dbraw/zinc/91/89/25/862918925.db2.gz MHGSMEQHKCAEPB-HRCADAONSA-N 1 3 367.519 0.457 20 0 FCADHO COC(=O)C1C[C@@H]2CC(NCC[C@H](N)C(=O)OC(C)(C)C)C[C@H](C1)[NH2+]2 ZINC001246388243 857575962 /nfs/dbraw/zinc/57/59/62/857575962.db2.gz FLTWUDSBEDTULT-PCGVCOGMSA-N 1 3 355.479 0.707 20 0 FCADHO O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCNCC2)O1)N1CCCC1 ZINC001246728944 857594253 /nfs/dbraw/zinc/59/42/53/857594253.db2.gz JETRNJDKONMICU-KZNAEPCWSA-N 1 3 351.491 0.999 20 0 FCADHO O=C(COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCNCC2)O1)N1CCCC1 ZINC001246728944 857594261 /nfs/dbraw/zinc/59/42/61/857594261.db2.gz JETRNJDKONMICU-KZNAEPCWSA-N 1 3 351.491 0.999 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736799 857595602 /nfs/dbraw/zinc/59/56/02/857595602.db2.gz BLIFIHISFLFFCO-ZKXLYKBJSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCN1 ZINC001246736799 857595608 /nfs/dbraw/zinc/59/56/08/857595608.db2.gz BLIFIHISFLFFCO-ZKXLYKBJSA-N 1 3 351.491 0.570 20 0 FCADHO COCCN1CCOC[C@@]2(CCCN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001249834143 857651362 /nfs/dbraw/zinc/65/13/62/857651362.db2.gz IIRUVMSBZAWEDV-KRWDZBQOSA-N 1 3 358.552 0.483 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001253182666 857869306 /nfs/dbraw/zinc/86/93/06/857869306.db2.gz SGXVEVGDRJGILF-MOPGFXCFSA-N 1 3 357.539 0.750 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001253186632 857870382 /nfs/dbraw/zinc/87/03/82/857870382.db2.gz QNRGSHLQVSWIIJ-MRXNPFEDSA-N 1 3 351.495 0.213 20 0 FCADHO O=S1(=O)CCN(CCNC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601472 858091782 /nfs/dbraw/zinc/09/17/82/858091782.db2.gz QNIOXDQWELPVBT-UHFFFAOYSA-N 1 3 351.516 0.971 20 0 FCADHO Oc1ccc(C[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C(O)O)cc1 ZINC001256686106 858095559 /nfs/dbraw/zinc/09/55/59/858095559.db2.gz JMEVRQKOSIVMHW-HTWSVDAQSA-N 1 3 350.459 0.847 20 0 FCADHO CN1CC[NH+](C2CCN(C3CCN(S(=O)(=O)C4CC4)CC3)CC2)CC1 ZINC001259275485 858253450 /nfs/dbraw/zinc/25/34/50/858253450.db2.gz XWUMNAFNCQPKJP-UHFFFAOYSA-N 1 3 370.563 0.655 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261635895 858616521 /nfs/dbraw/zinc/61/65/21/858616521.db2.gz SGSCJFLGMLTONL-GJYPPUQNSA-N 1 3 350.507 0.810 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651462 859985080 /nfs/dbraw/zinc/98/50/80/859985080.db2.gz UIRFALRQMFVOAR-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC001271651462 859985085 /nfs/dbraw/zinc/98/50/85/859985085.db2.gz UIRFALRQMFVOAR-APWZRJJASA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001271657849 859987670 /nfs/dbraw/zinc/98/76/70/859987670.db2.gz DXRVQXGHVFGPNR-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CN(C)CCN1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001271657849 859987676 /nfs/dbraw/zinc/98/76/76/859987676.db2.gz DXRVQXGHVFGPNR-VQIMIIECSA-N 1 3 350.507 0.731 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001273789596 860600756 /nfs/dbraw/zinc/60/07/56/860600756.db2.gz RNJCECAVTWMCAQ-MRXNPFEDSA-N 1 3 352.523 0.977 20 0 FCADHO CCN(CC)CC(=O)N1CC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001273789595 860601035 /nfs/dbraw/zinc/60/10/35/860601035.db2.gz RNJCECAVTWMCAQ-INIZCTEOSA-N 1 3 352.523 0.977 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1 ZINC001274909034 860869743 /nfs/dbraw/zinc/86/97/43/860869743.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1 ZINC001274909034 860869746 /nfs/dbraw/zinc/86/97/46/860869746.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 1 3 352.523 0.318 20 0 FCADHO CN1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001274909034 860869748 /nfs/dbraw/zinc/86/97/48/860869748.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 1 3 352.523 0.318 20 0 FCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C[C@H]2CC1 ZINC001275226448 860993696 /nfs/dbraw/zinc/99/36/96/860993696.db2.gz NXSHKEQTHHQRBW-WNKDZCFJSA-N 1 3 350.507 0.585 20 0 FCADHO COCCC[NH+]1CCC(N2CCC(C(=O)NCC3COC3)CC2)CC1 ZINC001280096182 863264165 /nfs/dbraw/zinc/26/41/65/863264165.db2.gz LSTWXAIQDBONIT-UHFFFAOYSA-N 1 3 353.507 0.962 20 0 FCADHO C[NH+]1CCC(C)(CN2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001280210931 863339676 /nfs/dbraw/zinc/33/96/76/863339676.db2.gz JYKPRCPBPNGJRT-LSDHHAIUSA-N 1 3 350.463 0.168 20 0 FCADHO COCCN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@H]1CCCN(C)C1)C2 ZINC001280259739 863366297 /nfs/dbraw/zinc/36/62/97/863366297.db2.gz ZVUGTIDENBMQGU-DLBZAZTESA-N 1 3 353.507 0.772 20 0 FCADHO C[C@H]([NH3+])CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001349802786 866449669 /nfs/dbraw/zinc/44/96/69/866449669.db2.gz MBEBOVOQXHIOCQ-AWEZNQCLSA-N 1 3 356.536 0.708 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001350033019 866495015 /nfs/dbraw/zinc/49/50/15/866495015.db2.gz UPVBYTUTGJCUDV-KBPBESRZSA-N 1 3 354.495 0.378 20 0 FCADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001316697614 867405414 /nfs/dbraw/zinc/40/54/14/867405414.db2.gz UMLMQJCZDUATSG-HYVNUMGLSA-N 1 3 350.507 0.824 20 0 FCADHO CC(C)CNC(=O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001318267722 867632486 /nfs/dbraw/zinc/63/24/86/867632486.db2.gz OBDVRRQACARIRQ-UHFFFAOYSA-N 1 3 353.511 0.616 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546640 868511578 /nfs/dbraw/zinc/51/15/78/868511578.db2.gz HNEVHHDLXSHDCI-RHSMWYFYSA-N 1 3 354.520 0.237 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC001321546640 868511585 /nfs/dbraw/zinc/51/15/85/868511585.db2.gz HNEVHHDLXSHDCI-RHSMWYFYSA-N 1 3 354.520 0.237 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CCCCC1 ZINC001325861297 870065506 /nfs/dbraw/zinc/06/55/06/870065506.db2.gz DESGIISDXGTWGP-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN([C@H]3CCN(C4CCOCC4)C3=O)C2)C1 ZINC001326539295 870371434 /nfs/dbraw/zinc/37/14/34/870371434.db2.gz LYDLRBYLOKVGFB-LMSBXDPUSA-N 1 3 351.491 0.985 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001343886866 870649855 /nfs/dbraw/zinc/64/98/55/870649855.db2.gz GTXADERYORSTDA-NUJGCVRESA-N 1 3 352.523 0.974 20 0 FCADHO C[C@](C[NH3+])(NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC001329491487 872065319 /nfs/dbraw/zinc/06/53/19/872065319.db2.gz TVDSUSQPIZTEOP-QGZVFWFLSA-N 1 3 368.503 0.100 20 0 FCADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001330006952 872415260 /nfs/dbraw/zinc/41/52/60/872415260.db2.gz CVRLSMILIIUXAI-ZACQAIPSSA-N 1 3 353.532 0.871 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCS(N)(=O)=O)CC2)CC1 ZINC001332907176 873709032 /nfs/dbraw/zinc/70/90/32/873709032.db2.gz JSPCUAAWIAZXFG-UHFFFAOYSA-N 1 3 374.551 0.368 20 0 FCADHO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908122 950351480 /nfs/dbraw/zinc/35/14/80/950351480.db2.gz AKSGOHCKYDNFLR-XJKSGUPXSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575908122 950351500 /nfs/dbraw/zinc/35/15/00/950351500.db2.gz AKSGOHCKYDNFLR-XJKSGUPXSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575908399 950364493 /nfs/dbraw/zinc/36/44/93/950364493.db2.gz BWEMONMVOPDADP-BBRMVZONSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575908399 950364516 /nfs/dbraw/zinc/36/45/16/950364516.db2.gz BWEMONMVOPDADP-BBRMVZONSA-N 1 3 357.462 0.897 20 0 FCADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CC[NH+](C)C ZINC001575909608 950403690 /nfs/dbraw/zinc/40/36/90/950403690.db2.gz ZOKPAGBOKUCAGR-CJNGLKHVSA-N 1 3 357.462 0.897 20 0 FCADHO COc1cc(CN(C)CCOCCO)cc(C[N@H+](C)CCOCCO)c1 ZINC000292944613 214132605 /nfs/dbraw/zinc/13/26/05/214132605.db2.gz NSCTWAXPMJVDJN-UHFFFAOYSA-N 1 3 370.490 0.577 20 0 FCADHO COc1cc(CN(C)CCOCCO)cc(C[N@@H+](C)CCOCCO)c1 ZINC000292944613 214132608 /nfs/dbraw/zinc/13/26/08/214132608.db2.gz NSCTWAXPMJVDJN-UHFFFAOYSA-N 1 3 370.490 0.577 20 0 FCADHO COc1cc(CN(CCO)C[C@@H](C)O)cc(C[N@H+](CCO)C[C@@H](C)O)c1 ZINC000293331792 214165383 /nfs/dbraw/zinc/16/53/83/214165383.db2.gz MQEBNCUWYAVBLU-HZPDHXFCSA-N 1 3 370.490 0.045 20 0 FCADHO COc1cc(CN(CCO)C[C@@H](C)O)cc(C[N@@H+](CCO)C[C@@H](C)O)c1 ZINC000293331792 214165385 /nfs/dbraw/zinc/16/53/85/214165385.db2.gz MQEBNCUWYAVBLU-HZPDHXFCSA-N 1 3 370.490 0.045 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000331552713 215014087 /nfs/dbraw/zinc/01/40/87/215014087.db2.gz WZEKXZSBPLUTPH-CFAJVAMVSA-N 1 3 354.520 0.126 20 0 FCADHO CC(C)N1CCN(CCC[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000331951930 215072335 /nfs/dbraw/zinc/07/23/35/215072335.db2.gz OZLDMCAMHLNJMZ-IBGZPJMESA-N 1 3 365.522 0.713 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334816 215132884 /nfs/dbraw/zinc/13/28/84/215132884.db2.gz VNXJZVYKCULIQX-BZZMCLGOSA-N 1 3 358.486 0.738 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000332334816 215132887 /nfs/dbraw/zinc/13/28/87/215132887.db2.gz VNXJZVYKCULIQX-BZZMCLGOSA-N 1 3 358.486 0.738 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCN1C ZINC000332386479 215142173 /nfs/dbraw/zinc/14/21/73/215142173.db2.gz YCRMOUDDSDTLFF-DJIMGWMZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCN1C ZINC000332386487 215142980 /nfs/dbraw/zinc/14/29/80/215142980.db2.gz YCRMOUDDSDTLFF-PVAVHDDUSA-N 1 3 350.507 0.776 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332592757 215186611 /nfs/dbraw/zinc/18/66/11/215186611.db2.gz MIXMSDYVRRBAQT-NVXWUHKLSA-N 1 3 350.507 0.918 20 0 FCADHO O=C1c2ccccc2C(=O)N1CCN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333095719 215236043 /nfs/dbraw/zinc/23/60/43/215236043.db2.gz DARQHCCTTUHPAB-SJORKVTESA-N 1 3 355.438 0.983 20 0 FCADHO C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333126851 215239258 /nfs/dbraw/zinc/23/92/58/215239258.db2.gz VWOVZQZLTZAJQM-CJNGLKHVSA-N 1 3 351.495 0.511 20 0 FCADHO CS[C@@H]1CN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C[C@@H]1N(C)C ZINC000333365831 215271055 /nfs/dbraw/zinc/27/10/55/215271055.db2.gz UIHCSXBWUILSGO-UONOGXRCSA-N 1 3 365.507 0.396 20 0 FCADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)[C@@H]2C1 ZINC000333494938 215290305 /nfs/dbraw/zinc/29/03/05/215290305.db2.gz DSZNXIFLJGYXPW-MGPQQGTHSA-N 1 3 363.428 0.558 20 0 FCADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N1CCCCC1 ZINC000333644632 215305401 /nfs/dbraw/zinc/30/54/01/215305401.db2.gz XXOVHPKISNXSOQ-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@@H](C)C1 ZINC000333707691 215311069 /nfs/dbraw/zinc/31/10/69/215311069.db2.gz RTGCOIXDXGSVMU-KNXWPPODSA-N 1 3 367.538 0.299 20 0 FCADHO C[C@@H](O)CN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000333707691 215311076 /nfs/dbraw/zinc/31/10/76/215311076.db2.gz RTGCOIXDXGSVMU-KNXWPPODSA-N 1 3 367.538 0.299 20 0 FCADHO CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000333761727 215316842 /nfs/dbraw/zinc/31/68/42/215316842.db2.gz APKSEBRKBKZBDK-NUJGCVRESA-N 1 3 365.522 0.759 20 0 FCADHO CN1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)(N2CCOCC2)CC1 ZINC000334134120 215347087 /nfs/dbraw/zinc/34/70/87/215347087.db2.gz WYZVCEHSVIWMOJ-KRWDZBQOSA-N 1 3 365.522 0.273 20 0 FCADHO CN1CCC(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)(N2CCOCC2)CC1 ZINC000334134120 215347091 /nfs/dbraw/zinc/34/70/91/215347091.db2.gz WYZVCEHSVIWMOJ-KRWDZBQOSA-N 1 3 365.522 0.273 20 0 FCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000284540368 213164588 /nfs/dbraw/zinc/16/45/88/213164588.db2.gz SHMOVUNLIFFCOW-HNNXBMFYSA-N 1 3 364.490 0.700 20 0 FCADHO C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CN4CCN3CCC4)ccc2oc1=O ZINC000367051883 216069051 /nfs/dbraw/zinc/06/90/51/216069051.db2.gz FPBWGCNFEZANKO-INIZCTEOSA-N 1 3 373.457 0.485 20 0 FCADHO C[C@@H]1CCCN(CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000367648377 216146335 /nfs/dbraw/zinc/14/63/35/216146335.db2.gz HTPSDNZMSGMYJA-OAHLLOKOSA-N 1 3 359.536 0.782 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCCN1CC[NH2+]CC1 ZINC000238025132 209362612 /nfs/dbraw/zinc/36/26/12/209362612.db2.gz FXIVAOVADJHJKH-UHFFFAOYSA-N 1 3 359.518 0.610 20 0 FCADHO C[C@H](CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000237543707 209353838 /nfs/dbraw/zinc/35/38/38/209353838.db2.gz CBVVEBGBIUCSMW-CABCVRRESA-N 1 3 364.494 0.525 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038727 216339102 /nfs/dbraw/zinc/33/91/02/216339102.db2.gz OMFSYZRCXHLMSK-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)CCOC)CC1=O ZINC000369038727 216339106 /nfs/dbraw/zinc/33/91/06/216339106.db2.gz OMFSYZRCXHLMSK-CVEARBPZSA-N 1 3 354.495 0.014 20 0 FCADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000276638102 212268733 /nfs/dbraw/zinc/26/87/33/212268733.db2.gz LWQSYWYAUZSLLF-KZNAEPCWSA-N 1 3 373.501 0.165 20 0 FCADHO C[C@H]1C[C@@H](CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC[NH2+]1 ZINC000414742665 245318250 /nfs/dbraw/zinc/31/82/50/245318250.db2.gz NSVXPKYKYNSGKZ-IRXDYDNUSA-N 1 3 360.506 0.823 20 0 FCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000414765760 245322481 /nfs/dbraw/zinc/32/24/81/245322481.db2.gz CJECESJTKYMXOM-MRXNPFEDSA-N 1 3 362.474 0.914 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CN1C1CC1 ZINC000414946382 245338016 /nfs/dbraw/zinc/33/80/16/245338016.db2.gz TXEYGIQUYKHGDN-WFASDCNBSA-N 1 3 358.442 0.849 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000415305777 245381399 /nfs/dbraw/zinc/38/13/99/245381399.db2.gz JPJYZRONPSEQBF-UHFFFAOYSA-N 1 3 356.854 0.945 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000415319026 245383784 /nfs/dbraw/zinc/38/37/84/245383784.db2.gz SAEJKZGWRCGNJE-INIZCTEOSA-N 1 3 373.501 0.944 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000415329805 245386860 /nfs/dbraw/zinc/38/68/60/245386860.db2.gz NKADFLNDKCRCRB-QGZVFWFLSA-N 1 3 359.474 0.241 20 0 FCADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1OCCN(C)C ZINC000415331311 245390086 /nfs/dbraw/zinc/39/00/86/245390086.db2.gz MACLCNTWTPLKNT-OAHLLOKOSA-N 1 3 362.474 0.990 20 0 FCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCNC[C@@H]3C)cc2)CC1 ZINC000415359928 245398627 /nfs/dbraw/zinc/39/86/27/245398627.db2.gz YXHXERLXZQOOKS-INIZCTEOSA-N 1 3 373.501 0.583 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1=O ZINC000374061628 217091461 /nfs/dbraw/zinc/09/14/61/217091461.db2.gz OGSAPPUXWLWMNX-MRXNPFEDSA-N 1 3 350.507 0.731 20 0 FCADHO CC[N@H+](CCO)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000183968419 209154738 /nfs/dbraw/zinc/15/47/38/209154738.db2.gz MHCNDOZLEAVZTQ-UHFFFAOYSA-N 1 3 362.518 0.938 20 0 FCADHO CC[N@@H+](CCO)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000183968419 209154741 /nfs/dbraw/zinc/15/47/41/209154741.db2.gz MHCNDOZLEAVZTQ-UHFFFAOYSA-N 1 3 362.518 0.938 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375240553 217237694 /nfs/dbraw/zinc/23/76/94/217237694.db2.gz XOHAPBOJCZQLQY-UHFFFAOYSA-N 1 3 354.495 0.015 20 0 FCADHO Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)N2CCCC2)cc1 ZINC000419163484 246025889 /nfs/dbraw/zinc/02/58/89/246025889.db2.gz WRBWNRMQSQZWQB-QZTJIDSGSA-N 1 3 374.485 0.353 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419146086 246015722 /nfs/dbraw/zinc/01/57/22/246015722.db2.gz HLRQEZNWVYUESP-ARFHVFGLSA-N 1 3 354.495 0.188 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1(C)C ZINC000419184379 246041059 /nfs/dbraw/zinc/04/10/59/246041059.db2.gz NPMYXUJAOLZMNG-MRXNPFEDSA-N 1 3 367.538 0.152 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000419214046 246058352 /nfs/dbraw/zinc/05/83/52/246058352.db2.gz MCNCEMWLFGGJKW-UHFFFAOYSA-N 1 3 364.490 0.687 20 0 FCADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000419214964 246060359 /nfs/dbraw/zinc/06/03/59/246060359.db2.gz NITLZYYVFLOZNH-IRXDYDNUSA-N 1 3 374.485 0.311 20 0 FCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419224469 246063692 /nfs/dbraw/zinc/06/36/92/246063692.db2.gz FMXANBRUTBCMER-WMLDXEAASA-N 1 3 350.507 0.953 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000419227840 246066371 /nfs/dbraw/zinc/06/63/71/246066371.db2.gz LJNWLKGWHZBZKU-GVDBMIGSSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000419201813 246051156 /nfs/dbraw/zinc/05/11/56/246051156.db2.gz GNWHILYZNCMGIJ-HZPDHXFCSA-N 1 3 362.474 0.629 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCC1 ZINC000419243681 246074074 /nfs/dbraw/zinc/07/40/74/246074074.db2.gz SVRZCUORZMNSPK-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000419336333 246104525 /nfs/dbraw/zinc/10/45/25/246104525.db2.gz ACXZHKZLAUUSJO-DLBZAZTESA-N 1 3 368.522 0.354 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419370481 246122220 /nfs/dbraw/zinc/12/22/20/246122220.db2.gz JPOUNNQGLHMESE-IRXDYDNUSA-N 1 3 352.523 0.975 20 0 FCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCNCC1)Cc1ccccc1 ZINC000419371967 246123689 /nfs/dbraw/zinc/12/36/89/246123689.db2.gz LUXNYLLUCCQTHY-GOSISDBHSA-N 1 3 360.502 0.878 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377699 246124670 /nfs/dbraw/zinc/12/46/70/246124670.db2.gz UGOACRBWQGADHO-YOEHRIQHSA-N 1 3 358.486 0.459 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](CN)C1 ZINC000419417010 246150779 /nfs/dbraw/zinc/15/07/79/246150779.db2.gz HOZKSMXENBIDCB-YYIAUSFCSA-N 1 3 368.522 0.435 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](CN)C1 ZINC000419417010 246150783 /nfs/dbraw/zinc/15/07/83/246150783.db2.gz HOZKSMXENBIDCB-YYIAUSFCSA-N 1 3 368.522 0.435 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403872 246136494 /nfs/dbraw/zinc/13/64/94/246136494.db2.gz SAOVTMXHIKTXKA-CGTJXYLNSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403872 246136496 /nfs/dbraw/zinc/13/64/96/246136496.db2.gz SAOVTMXHIKTXKA-CGTJXYLNSA-N 1 3 374.485 0.118 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402360 246136847 /nfs/dbraw/zinc/13/68/47/246136847.db2.gz CHTYJBZIGGTYLC-HOCLYGCPSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419402360 246136851 /nfs/dbraw/zinc/13/68/51/246136851.db2.gz CHTYJBZIGGTYLC-HOCLYGCPSA-N 1 3 368.522 0.986 20 0 FCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000419412018 246145766 /nfs/dbraw/zinc/14/57/66/246145766.db2.gz CGNGUAIHAVFGFW-NVXWUHKLSA-N 1 3 358.486 0.747 20 0 FCADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419421083 246154075 /nfs/dbraw/zinc/15/40/75/246154075.db2.gz KVNBEVLDVJPCKD-SFHVURJKSA-N 1 3 372.513 0.911 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419424425 246157319 /nfs/dbraw/zinc/15/73/19/246157319.db2.gz OAAQIZBNLYOBBX-INIZCTEOSA-N 1 3 358.486 0.667 20 0 FCADHO CN(CC[NH3+])C(=O)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000419428548 246158181 /nfs/dbraw/zinc/15/81/81/246158181.db2.gz TVUUECXGGDALNA-QGZVFWFLSA-N 1 3 360.502 0.993 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419428470 246158606 /nfs/dbraw/zinc/15/86/06/246158606.db2.gz STYRJFRKHAQPKA-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419430907 246160237 /nfs/dbraw/zinc/16/02/37/246160237.db2.gz WPTXBTCGRFHQFG-NRFANRHFSA-N 1 3 370.497 0.763 20 0 FCADHO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419433996 246161704 /nfs/dbraw/zinc/16/17/04/246161704.db2.gz ZYTKJFBVBIRPJS-SJORKVTESA-N 1 3 360.458 0.044 20 0 FCADHO Cc1cccc(N2CCN(CCCCNC(=O)C(=O)NCC[NH3+])CC2)c1 ZINC000419499468 246182637 /nfs/dbraw/zinc/18/26/37/246182637.db2.gz BPGGMWWVKFVXFP-UHFFFAOYSA-N 1 3 361.490 0.088 20 0 FCADHO NC[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419504113 246182916 /nfs/dbraw/zinc/18/29/16/246182916.db2.gz FXVHGPNBWINWOS-QZTJIDSGSA-N 1 3 358.486 0.965 20 0 FCADHO NC[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419504113 246182921 /nfs/dbraw/zinc/18/29/21/246182921.db2.gz FXVHGPNBWINWOS-QZTJIDSGSA-N 1 3 358.486 0.965 20 0 FCADHO COCCN(C)CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000419523158 246189643 /nfs/dbraw/zinc/18/96/43/246189643.db2.gz AGCDWUXAFCZXQU-IRXDYDNUSA-N 1 3 362.474 0.372 20 0 FCADHO COCCN(C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419523157 246190334 /nfs/dbraw/zinc/19/03/34/246190334.db2.gz AGCDWUXAFCZXQU-IAGOWNOFSA-N 1 3 362.474 0.372 20 0 FCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000419652359 246230460 /nfs/dbraw/zinc/23/04/60/246230460.db2.gz DXFRZWBRIKQSBF-AWEZNQCLSA-N 1 3 350.463 0.091 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000419690887 246251935 /nfs/dbraw/zinc/25/19/35/246251935.db2.gz CZGZJNQHWCKIHS-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)[C@H](C[NH3+])C1 ZINC000419695282 246255197 /nfs/dbraw/zinc/25/51/97/246255197.db2.gz KSWZHHWWEIMNET-IXDOHACOSA-N 1 3 368.522 0.578 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000419699263 246256585 /nfs/dbraw/zinc/25/65/85/246256585.db2.gz VZBOOSAOTZORCE-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000419759540 246285515 /nfs/dbraw/zinc/28/55/15/246285515.db2.gz XTMYOSQSRQKIAI-CQSZACIVSA-N 1 3 354.495 0.202 20 0 FCADHO CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000419872633 246339301 /nfs/dbraw/zinc/33/93/01/246339301.db2.gz USESYYTXQPIGIT-SFHVURJKSA-N 1 3 358.486 0.963 20 0 FCADHO CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000419872632 246339668 /nfs/dbraw/zinc/33/96/68/246339668.db2.gz USESYYTXQPIGIT-GOSISDBHSA-N 1 3 358.486 0.963 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419837457 246313322 /nfs/dbraw/zinc/31/33/22/246313322.db2.gz CXIYQJXGBHJTQP-KRWDZBQOSA-N 1 3 358.486 0.978 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419840597 246315110 /nfs/dbraw/zinc/31/51/10/246315110.db2.gz DJQVAXWLBGSVOU-HUUCEWRRSA-N 1 3 354.495 0.060 20 0 FCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419846676 246318503 /nfs/dbraw/zinc/31/85/03/246318503.db2.gz QGVAXTPHQAQNMV-IYBDPMFKSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846402 246318777 /nfs/dbraw/zinc/31/87/77/246318777.db2.gz RPMQZIVBTYFHAG-HNNXBMFYSA-N 1 3 368.428 0.723 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419860231 246328457 /nfs/dbraw/zinc/32/84/57/246328457.db2.gz KRCWEYSHQZYXNF-QZTJIDSGSA-N 1 3 373.501 0.748 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000419867794 246337375 /nfs/dbraw/zinc/33/73/75/246337375.db2.gz CXYDODCGKYAPFF-GJZGRUSLSA-N 1 3 350.463 0.864 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419921745 246370732 /nfs/dbraw/zinc/37/07/32/246370732.db2.gz YLHVLRWVJXVYKX-OAHLLOKOSA-N 1 3 364.465 0.832 20 0 FCADHO O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000419927371 246373496 /nfs/dbraw/zinc/37/34/96/246373496.db2.gz QUXASKOIXLMBOF-OAQYLSRUSA-N 1 3 370.497 0.837 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419884250 246350819 /nfs/dbraw/zinc/35/08/19/246350819.db2.gz FUFCAELUPWBQJY-INMHGKMJSA-N 1 3 366.506 0.202 20 0 FCADHO CN1CCC(N(Cc2ccccc2)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419895291 246355504 /nfs/dbraw/zinc/35/55/04/246355504.db2.gz RYNBUCQDVDEQBY-QGZVFWFLSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000419905367 246361287 /nfs/dbraw/zinc/36/12/87/246361287.db2.gz WFKDXPBPNANWHE-LSDHHAIUSA-N 1 3 350.463 0.674 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000419943693 246380155 /nfs/dbraw/zinc/38/01/55/246380155.db2.gz PYBLEQQKDNSWHE-ZDUSSCGKSA-N 1 3 354.882 0.941 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000419943692 246380888 /nfs/dbraw/zinc/38/08/88/246380888.db2.gz PYBLEQQKDNSWHE-CYBMUJFWSA-N 1 3 354.882 0.941 20 0 FCADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000420143823 246494029 /nfs/dbraw/zinc/49/40/29/246494029.db2.gz ZKOSWEYHMKVRJY-UHFFFAOYSA-N 1 3 374.485 0.621 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423361999 247011875 /nfs/dbraw/zinc/01/18/75/247011875.db2.gz HMGJSAIWJCXVLM-GJZGRUSLSA-N 1 3 364.515 0.706 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000423387073 247017380 /nfs/dbraw/zinc/01/73/80/247017380.db2.gz HLHBTGXSQHHSJU-NZSAHSFTSA-N 1 3 370.497 0.884 20 0 FCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423414702 247022381 /nfs/dbraw/zinc/02/23/81/247022381.db2.gz NNSOQHRPLYWEGS-KRWDZBQOSA-N 1 3 367.538 0.073 20 0 FCADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423557780 247051141 /nfs/dbraw/zinc/05/11/41/247051141.db2.gz COIJRHCSGZXWRJ-XLIONFOSSA-N 1 3 374.485 0.032 20 0 FCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC000423566856 247055265 /nfs/dbraw/zinc/05/52/65/247055265.db2.gz CJCKXLSVHNHXHC-HOTGVXAUSA-N 1 3 350.507 0.777 20 0 FCADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423641813 247088651 /nfs/dbraw/zinc/08/86/51/247088651.db2.gz HUBQVFLBBOFEBC-KRWDZBQOSA-N 1 3 359.474 0.706 20 0 FCADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423649512 247091927 /nfs/dbraw/zinc/09/19/27/247091927.db2.gz PMDIMDUQDYNQGS-PXNSSMCTSA-N 1 3 374.485 0.032 20 0 FCADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423771367 247142897 /nfs/dbraw/zinc/14/28/97/247142897.db2.gz FVZUSZWEJWFNQX-WMZOPIPTSA-N 1 3 358.486 0.978 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423730642 247130594 /nfs/dbraw/zinc/13/05/94/247130594.db2.gz NKEZYHOMOBDMRN-WBVHZDCISA-N 1 3 350.507 0.920 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423730620 247130724 /nfs/dbraw/zinc/13/07/24/247130724.db2.gz NKEZYHOMOBDMRN-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424044722 247164417 /nfs/dbraw/zinc/16/44/17/247164417.db2.gz KBFWCTFDHTYZKY-RBUKOAKNSA-N 1 3 358.486 0.788 20 0 FCADHO CN(C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000424494378 247239024 /nfs/dbraw/zinc/23/90/24/247239024.db2.gz NDXZXYYGKJMABH-PKOBYXMFSA-N 1 3 370.497 0.930 20 0 FCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424536863 247255150 /nfs/dbraw/zinc/25/51/50/247255150.db2.gz BRMXRDVJXFICFJ-CADBVGFASA-N 1 3 370.497 0.963 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000436060712 248030455 /nfs/dbraw/zinc/03/04/55/248030455.db2.gz FVPPWXBDKPTTAU-KRWDZBQOSA-N 1 3 365.522 0.049 20 0 FCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441844038 248262991 /nfs/dbraw/zinc/26/29/91/248262991.db2.gz PRFDEUGLTRNTLI-UHFFFAOYSA-N 1 3 350.463 0.690 20 0 FCADHO COCCN1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000473952646 250258703 /nfs/dbraw/zinc/25/87/03/250258703.db2.gz XHGGMMLGNQIXMZ-UHFFFAOYSA-N 1 3 356.511 0.632 20 0 FCADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCOCCN(C)C)C1 ZINC000480870917 250290903 /nfs/dbraw/zinc/29/09/03/250290903.db2.gz CCNOQLPIXWKATL-HOTGVXAUSA-N 1 3 370.538 0.554 20 0 FCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000481132412 250317718 /nfs/dbraw/zinc/31/77/18/250317718.db2.gz FBKCUPFKJVQYGW-FXUDXRNXSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000481132412 250317724 /nfs/dbraw/zinc/31/77/24/250317724.db2.gz FBKCUPFKJVQYGW-FXUDXRNXSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)CN1CCN(C)CC1 ZINC000481697202 250349670 /nfs/dbraw/zinc/34/96/70/250349670.db2.gz PHWOLYJXRARBCK-RDJZCZTQSA-N 1 3 357.568 0.606 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000481700375 250350299 /nfs/dbraw/zinc/35/02/99/250350299.db2.gz ZBFNMTFLAHBVRB-WMZOPIPTSA-N 1 3 371.595 0.997 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1=O ZINC000481997171 250372724 /nfs/dbraw/zinc/37/27/24/250372724.db2.gz DONTWVJBPVBFLT-INIZCTEOSA-N 1 3 368.522 0.356 20 0 FCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000410483304 230098361 /nfs/dbraw/zinc/09/83/61/230098361.db2.gz DFLSLRPFILWNCZ-GOSISDBHSA-N 1 3 373.501 0.919 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410505318 230108822 /nfs/dbraw/zinc/10/88/22/230108822.db2.gz UVRYSYHIRNBWSS-MRXNPFEDSA-N 1 3 354.495 0.110 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000410736633 230227723 /nfs/dbraw/zinc/22/77/23/230227723.db2.gz OLXNRODWTXDGGF-IKGGRYGDSA-N 1 3 350.507 0.872 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000410736633 230227727 /nfs/dbraw/zinc/22/77/27/230227727.db2.gz OLXNRODWTXDGGF-IKGGRYGDSA-N 1 3 350.507 0.872 20 0 FCADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000278298364 488866300 /nfs/dbraw/zinc/86/63/00/488866300.db2.gz RRPLMSOBGMMKLC-MRXNPFEDSA-N 1 3 364.490 0.639 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000533321747 484202712 /nfs/dbraw/zinc/20/27/12/484202712.db2.gz QLFKFWWSBRZDCX-AWEZNQCLSA-N 1 3 350.467 0.230 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000533321747 484202717 /nfs/dbraw/zinc/20/27/17/484202717.db2.gz QLFKFWWSBRZDCX-AWEZNQCLSA-N 1 3 350.467 0.230 20 0 FCADHO [NH3+]C[C@@H]1CCCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000562795851 491189414 /nfs/dbraw/zinc/18/94/14/491189414.db2.gz CGJXVOJYDDCOFQ-KRWDZBQOSA-N 1 3 360.506 0.974 20 0 FCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363847421 488891655 /nfs/dbraw/zinc/89/16/55/488891655.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 1 3 355.527 0.375 20 0 FCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363847421 488891657 /nfs/dbraw/zinc/89/16/57/488891657.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 1 3 355.527 0.375 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940343 488895741 /nfs/dbraw/zinc/89/57/41/488895741.db2.gz PNNORQYBMFQVTG-RTBURBONSA-N 1 3 370.497 0.789 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312940343 488895743 /nfs/dbraw/zinc/89/57/43/488895743.db2.gz PNNORQYBMFQVTG-RTBURBONSA-N 1 3 370.497 0.789 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364163021 488929805 /nfs/dbraw/zinc/92/98/05/488929805.db2.gz OITPGDCVDVWOLI-SJORKVTESA-N 1 3 356.511 0.849 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CC1=O ZINC000364192839 488933574 /nfs/dbraw/zinc/93/35/74/488933574.db2.gz MEDYKQFZJHDMQT-OIISXLGYSA-N 1 3 362.449 0.489 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283026 488943252 /nfs/dbraw/zinc/94/32/52/488943252.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 1 3 367.538 0.517 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283026 488943256 /nfs/dbraw/zinc/94/32/56/488943256.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 1 3 367.538 0.517 20 0 FCADHO C[C@H](Sc1nncn1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797711 488114649 /nfs/dbraw/zinc/11/46/49/488114649.db2.gz WPHPSYDIGVZVDX-ZDUSSCGKSA-N 1 3 366.535 0.971 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN2CCC(CN3CCOCC3)CC2)CC1 ZINC000051957328 488152702 /nfs/dbraw/zinc/15/27/02/488152702.db2.gz FUPXRFJLHZQQJS-UHFFFAOYSA-N 1 3 352.523 0.631 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000074064675 488387468 /nfs/dbraw/zinc/38/74/68/488387468.db2.gz YISWBDKONXGSIQ-QGZVFWFLSA-N 1 3 369.554 0.670 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345299 488390990 /nfs/dbraw/zinc/39/09/90/488390990.db2.gz SINHICIFWODWLI-HOTGVXAUSA-N 1 3 353.511 0.557 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000074345299 488390991 /nfs/dbraw/zinc/39/09/91/488390991.db2.gz SINHICIFWODWLI-HOTGVXAUSA-N 1 3 353.511 0.557 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000562837555 491195308 /nfs/dbraw/zinc/19/53/08/491195308.db2.gz OANIKGPKCFPLAE-JJRVBVJISA-N 1 3 356.536 0.529 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000562837556 491195639 /nfs/dbraw/zinc/19/56/39/491195639.db2.gz OANIKGPKCFPLAE-VBQJREDUSA-N 1 3 356.536 0.529 20 0 FCADHO CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092599378 488475287 /nfs/dbraw/zinc/47/52/87/488475287.db2.gz HURREDXCBYCJTP-KRWDZBQOSA-N 1 3 362.474 0.302 20 0 FCADHO Cc1cn2c(ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2=O)s1 ZINC000092894950 488476941 /nfs/dbraw/zinc/47/69/41/488476941.db2.gz LSOMGNBYVFZXDM-UHFFFAOYSA-N 1 3 351.476 0.630 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269256437 488483796 /nfs/dbraw/zinc/48/37/96/488483796.db2.gz SLTVLRKYRSLZOU-WBVHZDCISA-N 1 3 360.458 0.701 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269256437 488483798 /nfs/dbraw/zinc/48/37/98/488483798.db2.gz SLTVLRKYRSLZOU-WBVHZDCISA-N 1 3 360.458 0.701 20 0 FCADHO C[C@@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[N@H+](C)C1CC1 ZINC000105223192 488507970 /nfs/dbraw/zinc/50/79/70/488507970.db2.gz PFMWSRGGEPBAND-GOEBONIOSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[N@@H+](C)C1CC1 ZINC000105223192 488507972 /nfs/dbraw/zinc/50/79/72/488507972.db2.gz PFMWSRGGEPBAND-GOEBONIOSA-N 1 3 353.511 0.711 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000106583492 488515255 /nfs/dbraw/zinc/51/52/55/488515255.db2.gz DTPIGZXCPZHNLC-KRWDZBQOSA-N 1 3 368.570 0.290 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000106583492 488515259 /nfs/dbraw/zinc/51/52/59/488515259.db2.gz DTPIGZXCPZHNLC-KRWDZBQOSA-N 1 3 368.570 0.290 20 0 FCADHO C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000106583492 488515261 /nfs/dbraw/zinc/51/52/61/488515261.db2.gz DTPIGZXCPZHNLC-KRWDZBQOSA-N 1 3 368.570 0.290 20 0 FCADHO CC(C)[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N1CCN(C)CC1 ZINC000111812444 488531272 /nfs/dbraw/zinc/53/12/72/488531272.db2.gz DZYKLPGLJFZVSL-SFHVURJKSA-N 1 3 369.554 0.262 20 0 FCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114598342 488541557 /nfs/dbraw/zinc/54/15/57/488541557.db2.gz SGQMRLBSWJHEPM-SFHVURJKSA-N 1 3 369.554 0.550 20 0 FCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114598342 488541560 /nfs/dbraw/zinc/54/15/60/488541560.db2.gz SGQMRLBSWJHEPM-SFHVURJKSA-N 1 3 369.554 0.550 20 0 FCADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000114602668 488541771 /nfs/dbraw/zinc/54/17/71/488541771.db2.gz VWVNHBVABMRXTB-ZWKOTPCHSA-N 1 3 367.538 0.255 20 0 FCADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000114602668 488541773 /nfs/dbraw/zinc/54/17/73/488541773.db2.gz VWVNHBVABMRXTB-ZWKOTPCHSA-N 1 3 367.538 0.255 20 0 FCADHO CC(C)[N@H+]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000121477682 488568502 /nfs/dbraw/zinc/56/85/02/488568502.db2.gz BJAPDTFLRUMRKV-ROUUACIJSA-N 1 3 369.554 0.404 20 0 FCADHO CC(C)[N@@H+]1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000121477682 488568505 /nfs/dbraw/zinc/56/85/05/488568505.db2.gz BJAPDTFLRUMRKV-ROUUACIJSA-N 1 3 369.554 0.404 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262422256 488569701 /nfs/dbraw/zinc/56/97/01/488569701.db2.gz VBXXNJBVFSRTFF-UHFFFAOYSA-N 1 3 354.495 0.015 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](N)Cc2ccccc2)cn1 ZINC000262674234 488585642 /nfs/dbraw/zinc/58/56/42/488585642.db2.gz QQCCQKQFJMFLIK-INIZCTEOSA-N 1 3 358.446 0.069 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262745569 488589789 /nfs/dbraw/zinc/58/97/89/488589789.db2.gz JUZNNYCMDNQYDH-INIZCTEOSA-N 1 3 374.489 0.188 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262806800 488594602 /nfs/dbraw/zinc/59/46/02/488594602.db2.gz PUMPQXRDAKUKIF-DLBZAZTESA-N 1 3 362.522 0.811 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000554584959 491211088 /nfs/dbraw/zinc/21/10/88/491211088.db2.gz RFTDDPQSJKQMQC-QGZVFWFLSA-N 1 3 350.507 0.921 20 0 FCADHO CN(C)CCn1cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)ccc1=O ZINC000272701397 488598641 /nfs/dbraw/zinc/59/86/41/488598641.db2.gz SDDMAHCTFOGTRW-UHFFFAOYSA-N 1 3 373.457 0.998 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cn1 ZINC000262966547 488600893 /nfs/dbraw/zinc/60/08/93/488600893.db2.gz LJCFNCQRZLKASD-YOEHRIQHSA-N 1 3 350.467 0.407 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000263078427 488604137 /nfs/dbraw/zinc/60/41/37/488604137.db2.gz CUDVJOYAEMGSQO-KRWDZBQOSA-N 1 3 350.463 0.343 20 0 FCADHO CN1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000263860876 488631700 /nfs/dbraw/zinc/63/17/00/488631700.db2.gz FJKBMRXLAKSHHK-UHFFFAOYSA-N 1 3 361.490 0.825 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000130599399 488638711 /nfs/dbraw/zinc/63/87/11/488638711.db2.gz VDBWAMPYDVWDID-UHFFFAOYSA-N 1 3 374.445 0.627 20 0 FCADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCCN1C1CCOCC1 ZINC000134156073 488665093 /nfs/dbraw/zinc/66/50/93/488665093.db2.gz OGGAXRPEBCKWHE-ROUUACIJSA-N 1 3 353.507 0.983 20 0 FCADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCCN1C1CCOCC1 ZINC000134156073 488665094 /nfs/dbraw/zinc/66/50/94/488665094.db2.gz OGGAXRPEBCKWHE-ROUUACIJSA-N 1 3 353.507 0.983 20 0 FCADHO CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000136387843 488677408 /nfs/dbraw/zinc/67/74/08/488677408.db2.gz SAHDLHBKJGKSDI-MRXNPFEDSA-N 1 3 351.495 0.419 20 0 FCADHO COCCN1CCC[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136934401 488679009 /nfs/dbraw/zinc/67/90/09/488679009.db2.gz UJJYWXWJAPDZJV-INIZCTEOSA-N 1 3 350.463 0.863 20 0 FCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000154030578 488737435 /nfs/dbraw/zinc/73/74/35/488737435.db2.gz KXCBSIXXZUYFEI-SFHVURJKSA-N 1 3 369.554 0.406 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000154644340 488745987 /nfs/dbraw/zinc/74/59/87/488745987.db2.gz PUPBNIGYRDLRFE-HNNXBMFYSA-N 1 3 366.485 0.934 20 0 FCADHO CCn1ccnc1CN(C(=O)CCOC1CNC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157617 491223096 /nfs/dbraw/zinc/22/30/96/491223096.db2.gz JEJDKKOFVLQVNH-MRXNPFEDSA-N 1 3 361.490 0.752 20 0 FCADHO CC(C)(O)CN1CCN(C/C=C/CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000171149311 488820422 /nfs/dbraw/zinc/82/04/22/488820422.db2.gz XJGRLYYRSWIRDB-AATRIKPKSA-N 1 3 368.566 0.320 20 0 FCADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000173681996 488844402 /nfs/dbraw/zinc/84/44/02/488844402.db2.gz BHJVLWLNBCEWLJ-DOTOQJQBSA-N 1 3 363.506 0.940 20 0 FCADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000173923435 488846150 /nfs/dbraw/zinc/84/61/50/488846150.db2.gz MHVKVMXFNZRYQN-QGZVFWFLSA-N 1 3 360.506 0.789 20 0 FCADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000173923435 488846151 /nfs/dbraw/zinc/84/61/51/488846151.db2.gz MHVKVMXFNZRYQN-QGZVFWFLSA-N 1 3 360.506 0.789 20 0 FCADHO CN1CCN(CCCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000174444262 488849050 /nfs/dbraw/zinc/84/90/50/488849050.db2.gz JWXNYHKPQRJHLK-UHFFFAOYSA-N 1 3 373.545 0.952 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](CC(N)=O)C3)CC2)CC1 ZINC000175412759 488854042 /nfs/dbraw/zinc/85/40/42/488854042.db2.gz CWSOOOXGHPLQNI-HNNXBMFYSA-N 1 3 365.522 0.842 20 0 FCADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[C@H](C)O1 ZINC000175798061 488855569 /nfs/dbraw/zinc/85/55/69/488855569.db2.gz LPBKXBMDIPOOKI-NSHGMRRFSA-N 1 3 369.550 0.891 20 0 FCADHO CC(CCN1CCN2CCOC[C@@H]2C1)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000563220905 491228437 /nfs/dbraw/zinc/22/84/37/491228437.db2.gz IBWXOMAZYWKCED-PMACEKPBSA-N 1 3 366.550 0.436 20 0 FCADHO CC(CCN1CCN2CCOC[C@@H]2C1)CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000563220905 491228439 /nfs/dbraw/zinc/22/84/39/491228439.db2.gz IBWXOMAZYWKCED-PMACEKPBSA-N 1 3 366.550 0.436 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000365420850 489074420 /nfs/dbraw/zinc/07/44/20/489074420.db2.gz HIHZNQCJAKVPDI-SFHVURJKSA-N 1 3 367.538 0.376 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366172642 489154658 /nfs/dbraw/zinc/15/46/58/489154658.db2.gz SIUXFHBEJZIWPY-HKUYNNGSSA-N 1 3 351.539 0.997 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366172642 489154662 /nfs/dbraw/zinc/15/46/62/489154662.db2.gz SIUXFHBEJZIWPY-HKUYNNGSSA-N 1 3 351.539 0.997 20 0 FCADHO C[N@H+](C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778484 489164847 /nfs/dbraw/zinc/16/48/47/489164847.db2.gz MOPBBKYUYLAGPN-PXNSSMCTSA-N 1 3 372.469 0.638 20 0 FCADHO C[N@@H+](C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O)C1CC1 ZINC000290778484 489164849 /nfs/dbraw/zinc/16/48/49/489164849.db2.gz MOPBBKYUYLAGPN-PXNSSMCTSA-N 1 3 372.469 0.638 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491149 489188549 /nfs/dbraw/zinc/18/85/49/489188549.db2.gz DOBSQUGECDVMJE-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491149 489188551 /nfs/dbraw/zinc/18/85/51/489188551.db2.gz DOBSQUGECDVMJE-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1=O ZINC000366491150 489188564 /nfs/dbraw/zinc/18/85/64/489188564.db2.gz DOBSQUGECDVMJE-NUJGCVRESA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1=O ZINC000366491150 489188565 /nfs/dbraw/zinc/18/85/65/489188565.db2.gz DOBSQUGECDVMJE-NUJGCVRESA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399612 489206590 /nfs/dbraw/zinc/20/65/90/489206590.db2.gz SAUQSFJLGMIUEL-HXUWFJFHSA-N 1 3 366.550 0.852 20 0 FCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000331399612 489206593 /nfs/dbraw/zinc/20/65/93/489206593.db2.gz SAUQSFJLGMIUEL-HXUWFJFHSA-N 1 3 366.550 0.852 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332967285 489252177 /nfs/dbraw/zinc/25/21/77/489252177.db2.gz PXVPHJFGIHFSGV-YESZJQIVSA-N 1 3 363.506 0.561 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332967285 489252180 /nfs/dbraw/zinc/25/21/80/489252180.db2.gz PXVPHJFGIHFSGV-YESZJQIVSA-N 1 3 363.506 0.561 20 0 FCADHO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C(=O)NCCN(C)C ZINC000563402569 491242532 /nfs/dbraw/zinc/24/25/32/491242532.db2.gz BBUBLCWWWBFEKG-HIFRSBDPSA-N 1 3 356.536 0.386 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820628 489279030 /nfs/dbraw/zinc/27/90/30/489279030.db2.gz CHSLUMQYJBPXJB-IAGOWNOFSA-N 1 3 353.511 0.129 20 0 FCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820628 489279032 /nfs/dbraw/zinc/27/90/32/489279032.db2.gz CHSLUMQYJBPXJB-IAGOWNOFSA-N 1 3 353.511 0.129 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000563459822 491249145 /nfs/dbraw/zinc/24/91/45/491249145.db2.gz ZHKHEPSEJJQXJM-ROUUACIJSA-N 1 3 358.486 0.615 20 0 FCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000555340470 491246917 /nfs/dbraw/zinc/24/69/17/491246917.db2.gz BLWKGPDRBODQOU-MRXNPFEDSA-N 1 3 358.552 0.958 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000370075983 489313792 /nfs/dbraw/zinc/31/37/92/489313792.db2.gz CUWUBCXMYRUHFK-SJORKVTESA-N 1 3 353.511 0.175 20 0 FCADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000370075980 489313894 /nfs/dbraw/zinc/31/38/94/489313894.db2.gz CUWUBCXMYRUHFK-DLBZAZTESA-N 1 3 353.511 0.175 20 0 FCADHO CN(CCC(=O)N1CCN(C)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000370592478 489379484 /nfs/dbraw/zinc/37/94/84/489379484.db2.gz GVRMMEJNWUVIOS-NRFANRHFSA-N 1 3 374.529 0.719 20 0 FCADHO CN(CCC(=O)N1CCN(C)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000370592478 489379486 /nfs/dbraw/zinc/37/94/86/489379486.db2.gz GVRMMEJNWUVIOS-NRFANRHFSA-N 1 3 374.529 0.719 20 0 FCADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000563540377 491253741 /nfs/dbraw/zinc/25/37/41/491253741.db2.gz FAFGYRFCQWKJKY-BWTSREIZSA-N 1 3 357.502 0.841 20 0 FCADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000570651400 491255824 /nfs/dbraw/zinc/25/58/24/491255824.db2.gz QIYPJFJVRLULEX-ZWKOTPCHSA-N 1 3 373.501 0.982 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)[C@@H](C)C1 ZINC000371342875 489478810 /nfs/dbraw/zinc/47/88/10/489478810.db2.gz ZYFOBFOIBFWCDF-OKZBNKHCSA-N 1 3 352.523 0.630 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)[C@@H](C)C1 ZINC000371342875 489478812 /nfs/dbraw/zinc/47/88/12/489478812.db2.gz ZYFOBFOIBFWCDF-OKZBNKHCSA-N 1 3 352.523 0.630 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423092626 489493022 /nfs/dbraw/zinc/49/30/22/489493022.db2.gz CSXFVUACQJIXIG-OAHLLOKOSA-N 1 3 350.438 0.666 20 0 FCADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000423101218 489493240 /nfs/dbraw/zinc/49/32/40/489493240.db2.gz VPLHMOOOOPITLQ-UHFFFAOYSA-N 1 3 352.454 0.784 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423169209 489499028 /nfs/dbraw/zinc/49/90/28/489499028.db2.gz VRDCDIILQKJHRG-MRXNPFEDSA-N 1 3 350.438 0.666 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000423165164 489499047 /nfs/dbraw/zinc/49/90/47/489499047.db2.gz APBBRZUNULBWHG-GDBMZVCRSA-N 1 3 364.490 0.922 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423204231 489502124 /nfs/dbraw/zinc/50/21/24/489502124.db2.gz DFDUXOBYHBDHQP-LUKYLMHMSA-N 1 3 366.506 0.141 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000423210111 489502798 /nfs/dbraw/zinc/50/27/98/489502798.db2.gz JSDNJXVUCSYELP-CVEARBPZSA-N 1 3 356.511 0.387 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C[C@H]1[NH3+] ZINC000423212259 489503260 /nfs/dbraw/zinc/50/32/60/489503260.db2.gz ZWJSNSPLJTWWOJ-MLGOLLRUSA-N 1 3 368.428 0.661 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423272835 489510168 /nfs/dbraw/zinc/51/01/68/489510168.db2.gz ZNUMCGJSNKXGNR-HZPDHXFCSA-N 1 3 356.511 0.389 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000415379714 489516439 /nfs/dbraw/zinc/51/64/39/489516439.db2.gz OKTZYHUXOXEYHB-SFHVURJKSA-N 1 3 373.501 0.631 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c(C)c2)CC1 ZINC000415458596 489522284 /nfs/dbraw/zinc/52/22/84/489522284.db2.gz WCIOTWBWIRKUEG-SFHVURJKSA-N 1 3 373.501 0.929 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)c2)CC1 ZINC000415486974 489524877 /nfs/dbraw/zinc/52/48/77/489524877.db2.gz GEEVVLPKGXKSCI-GOSISDBHSA-N 1 3 373.501 0.977 20 0 FCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415514445 489526158 /nfs/dbraw/zinc/52/61/58/489526158.db2.gz ZOWFNVVAGPZBAY-HNNXBMFYSA-N 1 3 373.501 0.868 20 0 FCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000371949408 489527509 /nfs/dbraw/zinc/52/75/09/489527509.db2.gz VHDJDTCOOLPUBQ-ZWKOTPCHSA-N 1 3 367.538 0.517 20 0 FCADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000415544136 489527827 /nfs/dbraw/zinc/52/78/27/489527827.db2.gz FMYQAXZVQOVFSC-UHFFFAOYSA-N 1 3 373.501 0.835 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)c2)CC1 ZINC000415570407 489531248 /nfs/dbraw/zinc/53/12/48/489531248.db2.gz LYAKKEWKYGKEJG-JKSUJKDBSA-N 1 3 373.501 0.963 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c(C)c2)CC1 ZINC000415763932 489551093 /nfs/dbraw/zinc/55/10/93/489551093.db2.gz YKQUNMNDZVVWRV-VQFNDLOPSA-N 1 3 371.485 0.409 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)c(OCCN(C)C)c1 ZINC000415779961 489552670 /nfs/dbraw/zinc/55/26/70/489552670.db2.gz AIBUODMSSQYXQO-ZDUSSCGKSA-N 1 3 372.416 0.973 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000415870896 489562461 /nfs/dbraw/zinc/56/24/61/489562461.db2.gz PQEBMJQKJMIJRX-HUUCEWRRSA-N 1 3 360.458 0.633 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415893265 489564350 /nfs/dbraw/zinc/56/43/50/489564350.db2.gz MTDSAWBDOKLINR-GJZGRUSLSA-N 1 3 360.458 0.633 20 0 FCADHO Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000415901203 489564643 /nfs/dbraw/zinc/56/46/43/489564643.db2.gz WZHDVESFVWMAEN-HZPDHXFCSA-N 1 3 374.485 0.942 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000563702731 491264283 /nfs/dbraw/zinc/26/42/83/491264283.db2.gz LMJMYCGTFDLKGA-HOTGVXAUSA-N 1 3 350.507 0.990 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000563702731 491264285 /nfs/dbraw/zinc/26/42/85/491264285.db2.gz LMJMYCGTFDLKGA-HOTGVXAUSA-N 1 3 350.507 0.990 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)n2)CC1 ZINC000427272447 489600223 /nfs/dbraw/zinc/60/02/23/489600223.db2.gz CKBPHGZXXPZWNH-UHFFFAOYSA-N 1 3 350.467 0.593 20 0 FCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cn1 ZINC000427324340 489602555 /nfs/dbraw/zinc/60/25/55/489602555.db2.gz LNWWPRCYUJQHEN-CQSZACIVSA-N 1 3 350.467 0.279 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000416970732 489637531 /nfs/dbraw/zinc/63/75/31/489637531.db2.gz OAAMRXPXMBRTMU-KRWDZBQOSA-N 1 3 350.463 0.886 20 0 FCADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417090916 489640756 /nfs/dbraw/zinc/64/07/56/489640756.db2.gz ZHSGUCQYGZMEEW-HOTGVXAUSA-N 1 3 355.527 0.992 20 0 FCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417363219 489649908 /nfs/dbraw/zinc/64/99/08/489649908.db2.gz AQOCGIXXVXVNEG-ROUUACIJSA-N 1 3 372.517 0.845 20 0 FCADHO CC[NH2+]CC1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000417431872 489652394 /nfs/dbraw/zinc/65/23/94/489652394.db2.gz RVVOTXKRLKBIHI-QGZVFWFLSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417428358 489652624 /nfs/dbraw/zinc/65/26/24/489652624.db2.gz KUTIEIUCGZWVLI-XHSDSOJGSA-N 1 3 353.511 0.746 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417428356 489652952 /nfs/dbraw/zinc/65/29/52/489652952.db2.gz KUTIEIUCGZWVLI-OAGGEKHMSA-N 1 3 353.511 0.746 20 0 FCADHO O=C(NCCCCN1CCN(CCO)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457680157 489654101 /nfs/dbraw/zinc/65/41/01/489654101.db2.gz VLUKTSGWMCNAQQ-UHFFFAOYSA-N 1 3 366.550 0.757 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000417531333 489657622 /nfs/dbraw/zinc/65/76/22/489657622.db2.gz UIOFBIVQKHZBLR-GOSISDBHSA-N 1 3 364.490 0.847 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417579602 489659115 /nfs/dbraw/zinc/65/91/15/489659115.db2.gz BAODMCFSAVIWJG-NUJGCVRESA-N 1 3 365.522 0.807 20 0 FCADHO CCCCN(C)CCNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417606184 489659790 /nfs/dbraw/zinc/65/97/90/489659790.db2.gz DCXOKZPZQBPOKV-WBVHZDCISA-N 1 3 353.511 0.664 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000418067975 489677325 /nfs/dbraw/zinc/67/73/25/489677325.db2.gz CONHRLGJFIOEHY-QZTJIDSGSA-N 1 3 362.474 0.647 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000555747198 491270654 /nfs/dbraw/zinc/27/06/54/491270654.db2.gz SJYJHIZACJTFTI-QGZVFWFLSA-N 1 3 358.486 0.965 20 0 FCADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000555747198 491270657 /nfs/dbraw/zinc/27/06/57/491270657.db2.gz SJYJHIZACJTFTI-QGZVFWFLSA-N 1 3 358.486 0.965 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448335 489684452 /nfs/dbraw/zinc/68/44/52/489684452.db2.gz XTYFKDQGVSEHDB-QFBILLFUSA-N 1 3 365.522 0.701 20 0 FCADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)C1 ZINC000458448335 489684455 /nfs/dbraw/zinc/68/44/55/489684455.db2.gz XTYFKDQGVSEHDB-QFBILLFUSA-N 1 3 365.522 0.701 20 0 FCADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000418235663 489685590 /nfs/dbraw/zinc/68/55/90/489685590.db2.gz LJTDWJUSSWYWTO-IRXDYDNUSA-N 1 3 367.538 0.993 20 0 FCADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418383152 489694952 /nfs/dbraw/zinc/69/49/52/489694952.db2.gz ZBZKPTKYPXNUGK-SJORKVTESA-N 1 3 361.490 0.327 20 0 FCADHO COCCNCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000418513183 489702674 /nfs/dbraw/zinc/70/26/74/489702674.db2.gz URTKYLCWMIKPQU-IAGOWNOFSA-N 1 3 355.527 0.422 20 0 FCADHO CCN1C[C@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC000459046558 489716253 /nfs/dbraw/zinc/71/62/53/489716253.db2.gz LZABUOOIROAPBJ-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CCN1C[C@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1=O ZINC000459046558 489716256 /nfs/dbraw/zinc/71/62/56/489716256.db2.gz LZABUOOIROAPBJ-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459257653 489723908 /nfs/dbraw/zinc/72/39/08/489723908.db2.gz JOTILYOLEXQNRW-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459257653 489723913 /nfs/dbraw/zinc/72/39/13/489723913.db2.gz JOTILYOLEXQNRW-KRWDZBQOSA-N 1 3 367.538 0.914 20 0 FCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875260 491274229 /nfs/dbraw/zinc/27/42/29/491274229.db2.gz DWZOAWTWKKEHBD-ZIAGYGMSSA-N 1 3 365.444 0.806 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836084 489746433 /nfs/dbraw/zinc/74/64/33/489746433.db2.gz PAUMOEIZEJCJJK-ZIAGYGMSSA-N 1 3 354.495 0.596 20 0 FCADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430600323 489750664 /nfs/dbraw/zinc/75/06/64/489750664.db2.gz HLVXVYYIGDZFCE-DZGCQCFKSA-N 1 3 364.515 0.808 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474307968 489752578 /nfs/dbraw/zinc/75/25/78/489752578.db2.gz UCFPXMGACDLRCG-PVUWLOKVSA-N 1 3 368.428 0.626 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000418849809 489755237 /nfs/dbraw/zinc/75/52/37/489755237.db2.gz NIUWHSSVLWMFAK-FGTMMUONSA-N 1 3 360.502 0.909 20 0 FCADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430620862 489756557 /nfs/dbraw/zinc/75/65/57/489756557.db2.gz IKIQKWQGZQREMQ-GDBMZVCRSA-N 1 3 364.465 0.960 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000418855263 489759115 /nfs/dbraw/zinc/75/91/15/489759115.db2.gz UPKBUBJWEDAZGK-INDMIFKZSA-N 1 3 372.513 0.861 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@H]1C[NH3+] ZINC000418856949 489760265 /nfs/dbraw/zinc/76/02/65/489760265.db2.gz XXONSULOAYHVRN-NJAFHUGGSA-N 1 3 360.502 0.861 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000474472354 489764656 /nfs/dbraw/zinc/76/46/56/489764656.db2.gz NVBPVBXDCHMXOA-DLBZAZTESA-N 1 3 353.511 0.665 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCN(C(C)=O)C1 ZINC000474472354 489764659 /nfs/dbraw/zinc/76/46/59/489764659.db2.gz NVBPVBXDCHMXOA-DLBZAZTESA-N 1 3 353.511 0.665 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418871279 489768053 /nfs/dbraw/zinc/76/80/53/489768053.db2.gz VEQWAZLLLBEMKU-LSDHHAIUSA-N 1 3 354.495 0.189 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000418881848 489773246 /nfs/dbraw/zinc/77/32/46/489773246.db2.gz RQWXKIORBNLARC-MRXNPFEDSA-N 1 3 368.522 0.452 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418883350 489774276 /nfs/dbraw/zinc/77/42/76/489774276.db2.gz UZSHUKHEUVYPOY-QZTJIDSGSA-N 1 3 374.485 0.080 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)[C@@H]1C[NH3+] ZINC000418885237 489774931 /nfs/dbraw/zinc/77/49/31/489774931.db2.gz YGJMYFGWTVGNRG-ARFHVFGLSA-N 1 3 354.495 0.189 20 0 FCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000418922014 489791970 /nfs/dbraw/zinc/79/19/70/489791970.db2.gz DDEUYHOSTGEDAA-OAGGEKHMSA-N 1 3 366.506 0.060 20 0 FCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418956896 489803486 /nfs/dbraw/zinc/80/34/86/489803486.db2.gz SUTSJWDEXZCOJH-IKGGRYGDSA-N 1 3 368.522 0.504 20 0 FCADHO C[C@H]1[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCN1C ZINC000431459614 489806053 /nfs/dbraw/zinc/80/60/53/489806053.db2.gz OOQGTEJTKQBDNM-HOTGVXAUSA-N 1 3 353.511 0.761 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000460001571 489815439 /nfs/dbraw/zinc/81/54/39/489815439.db2.gz YZUURTCLRYSDEY-IRXDYDNUSA-N 1 3 350.507 0.731 20 0 FCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000460018693 489819680 /nfs/dbraw/zinc/81/96/80/489819680.db2.gz OULLYXYZTNBJEE-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419021346 489820870 /nfs/dbraw/zinc/82/08/70/489820870.db2.gz GXXSTLIRLUWJHH-FZKCQIBNSA-N 1 3 354.495 0.045 20 0 FCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000460021178 489820900 /nfs/dbraw/zinc/82/09/00/489820900.db2.gz PYOKMEWYIDDZEX-KRWDZBQOSA-N 1 3 350.507 0.873 20 0 FCADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419020183 489820951 /nfs/dbraw/zinc/82/09/51/489820951.db2.gz RRTLYARTRJBTGM-GOSISDBHSA-N 1 3 374.485 0.393 20 0 FCADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419023160 489821577 /nfs/dbraw/zinc/82/15/77/489821577.db2.gz JFJVFYPTBLZTRB-NNXHMXCWSA-N 1 3 352.523 0.973 20 0 FCADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000563976880 491281143 /nfs/dbraw/zinc/28/11/43/491281143.db2.gz PXRHWNAMEVABTM-LLLHUVSDSA-N 1 3 359.474 0.631 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000419029674 489824223 /nfs/dbraw/zinc/82/42/23/489824223.db2.gz GICSXEXQGIBUMF-HNNXBMFYSA-N 1 3 368.547 0.675 20 0 FCADHO O=C(NCC1C[NH2+]C1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419040660 489830377 /nfs/dbraw/zinc/83/03/77/489830377.db2.gz WYBDYKZNRPIHJP-UHFFFAOYSA-N 1 3 354.520 0.190 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419048263 489834460 /nfs/dbraw/zinc/83/44/60/489834460.db2.gz ZTPANSSDRZAOPQ-QGZVFWFLSA-N 1 3 368.522 0.626 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000419065493 489841840 /nfs/dbraw/zinc/84/18/40/489841840.db2.gz ADNLKHJANXOIBE-ROUUACIJSA-N 1 3 374.485 0.467 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068561 489843961 /nfs/dbraw/zinc/84/39/61/489843961.db2.gz FQLUYWQVSYLKFN-PBHICJAKSA-N 1 3 364.490 1.000 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000460251341 489858129 /nfs/dbraw/zinc/85/81/29/489858129.db2.gz CRCAGWTUWAZCKO-SFHVURJKSA-N 1 3 350.463 0.493 20 0 FCADHO CN(CCN)C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419113761 489861017 /nfs/dbraw/zinc/86/10/17/489861017.db2.gz WGVJIGFUJZFUFW-UHFFFAOYSA-N 1 3 362.474 0.237 20 0 FCADHO C[C@@H]1CN(CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000494127615 489870584 /nfs/dbraw/zinc/87/05/84/489870584.db2.gz MVFGGHJBJIWZLS-IAGOWNOFSA-N 1 3 363.506 0.967 20 0 FCADHO COCCN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433336342 489876183 /nfs/dbraw/zinc/87/61/83/489876183.db2.gz PEUONBILSQUFFT-MRXNPFEDSA-N 1 3 356.511 0.897 20 0 FCADHO COCCN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433336342 489876186 /nfs/dbraw/zinc/87/61/86/489876186.db2.gz PEUONBILSQUFFT-MRXNPFEDSA-N 1 3 356.511 0.897 20 0 FCADHO C[C@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCOCC2)CCCO1 ZINC000433339313 489877176 /nfs/dbraw/zinc/87/71/76/489877176.db2.gz ZPZBIIDAPVQQKG-INIZCTEOSA-N 1 3 356.511 0.897 20 0 FCADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419999761 489877432 /nfs/dbraw/zinc/87/74/32/489877432.db2.gz SLNSXGBHVLAJEE-RDJZCZTQSA-N 1 3 361.490 0.748 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420018748 489882209 /nfs/dbraw/zinc/88/22/09/489882209.db2.gz PYHDGHDIHHBRJD-JYJNAYRXSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420018750 489882557 /nfs/dbraw/zinc/88/25/57/489882557.db2.gz PYHDGHDIHHBRJD-PMPSAXMXSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000420020270 489883474 /nfs/dbraw/zinc/88/34/74/489883474.db2.gz FBRGOAMOFKOWJA-CGTJXYLNSA-N 1 3 358.486 0.963 20 0 FCADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420020270 489883477 /nfs/dbraw/zinc/88/34/77/489883477.db2.gz FBRGOAMOFKOWJA-CGTJXYLNSA-N 1 3 358.486 0.963 20 0 FCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420043692 489891997 /nfs/dbraw/zinc/89/19/97/489891997.db2.gz SENPOEYYOXIPJP-MRXNPFEDSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420051012 489893440 /nfs/dbraw/zinc/89/34/40/489893440.db2.gz ZQLYRCURYDNLJA-ARFHVFGLSA-N 1 3 366.506 0.693 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420075459 489904787 /nfs/dbraw/zinc/90/47/87/489904787.db2.gz SMRVJANHNWNPQF-RDJZCZTQSA-N 1 3 350.507 0.810 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420075459 489904790 /nfs/dbraw/zinc/90/47/90/489904790.db2.gz SMRVJANHNWNPQF-RDJZCZTQSA-N 1 3 350.507 0.810 20 0 FCADHO CN(Cc1cccc(C[N@H+](C)[C@@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000461387885 489907267 /nfs/dbraw/zinc/90/72/67/489907267.db2.gz SYTWFLOAQFOUSX-WOJBJXKFSA-N 1 3 364.486 0.853 20 0 FCADHO CN(Cc1cccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000461387885 489907270 /nfs/dbraw/zinc/90/72/70/489907270.db2.gz SYTWFLOAQFOUSX-WOJBJXKFSA-N 1 3 364.486 0.853 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420087414 489907599 /nfs/dbraw/zinc/90/75/99/489907599.db2.gz POQXRKICXBDWRY-IRXDYDNUSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420092479 489908955 /nfs/dbraw/zinc/90/89/55/489908955.db2.gz GDGJENIMAHIXSK-QAPCUYQASA-N 1 3 354.495 0.062 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420103639 489913199 /nfs/dbraw/zinc/91/31/99/489913199.db2.gz PTMUNFUQQMFGRU-SFHVURJKSA-N 1 3 374.485 0.475 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCC[NH2+]C1 ZINC000420112032 489916244 /nfs/dbraw/zinc/91/62/44/489916244.db2.gz XIRDKYSEDYFOPQ-QFBILLFUSA-N 1 3 350.507 0.969 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377535411 489916715 /nfs/dbraw/zinc/91/67/15/489916715.db2.gz GZUSHXNFROKWOZ-KRWDZBQOSA-N 1 3 350.507 0.528 20 0 FCADHO CC1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC[NH2+]CC1 ZINC000420129046 489923230 /nfs/dbraw/zinc/92/32/30/489923230.db2.gz VFRTXCLLFFYPQA-MRXNPFEDSA-N 1 3 350.507 0.969 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000377576795 489924285 /nfs/dbraw/zinc/92/42/85/489924285.db2.gz GFNBHXZDOODTID-DLBZAZTESA-N 1 3 354.495 0.650 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420142185 489928363 /nfs/dbraw/zinc/92/83/63/489928363.db2.gz TVSJNNAWVZHPPH-UHFFFAOYSA-N 1 3 350.507 0.993 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000477067973 489938804 /nfs/dbraw/zinc/93/88/04/489938804.db2.gz PJGHVZCBRUCCQJ-CVEARBPZSA-N 1 3 356.511 0.450 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189290 489945735 /nfs/dbraw/zinc/94/57/35/489945735.db2.gz DIHUKVWIWDXQBC-INIZCTEOSA-N 1 3 354.495 0.062 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420199537 489949602 /nfs/dbraw/zinc/94/96/02/489949602.db2.gz FAERPKQRRRVJMN-QGZVFWFLSA-N 1 3 374.485 0.343 20 0 FCADHO CC(CN(C)[C@@H](C)CN1CCOCC1)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713776 489950770 /nfs/dbraw/zinc/95/07/70/489950770.db2.gz KHBXVDOUWYMFOY-PMACEKPBSA-N 1 3 370.582 0.928 20 0 FCADHO CC(CN(C)[C@@H](C)CN1CCOCC1)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434713776 489950771 /nfs/dbraw/zinc/95/07/71/489950771.db2.gz KHBXVDOUWYMFOY-PMACEKPBSA-N 1 3 370.582 0.928 20 0 FCADHO C[C@@]1(O)CCN(C(=O)C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420205647 489952338 /nfs/dbraw/zinc/95/23/38/489952338.db2.gz NUWDXWMERIACPY-LJQANCHMSA-N 1 3 374.485 0.079 20 0 FCADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000478247770 490011589 /nfs/dbraw/zinc/01/15/89/490011589.db2.gz BZQZXZJJPOSQBH-IBGZPJMESA-N 1 3 360.502 0.689 20 0 FCADHO Cc1c(Cl)cncc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000564291541 491298336 /nfs/dbraw/zinc/29/83/36/491298336.db2.gz URDQSAWLMSUIGI-UHFFFAOYSA-N 1 3 355.870 0.934 20 0 FCADHO CCN1CCN(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000532672973 490094264 /nfs/dbraw/zinc/09/42/64/490094264.db2.gz BMEMFSPZFHJIBP-RBUKOAKNSA-N 1 3 366.550 0.898 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000564325744 491300982 /nfs/dbraw/zinc/30/09/82/491300982.db2.gz HSXOAFDEESNZFB-UHFFFAOYSA-N 1 3 360.502 0.961 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@H+](C)CCC ZINC000497035020 490135363 /nfs/dbraw/zinc/13/53/63/490135363.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 1 3 358.552 0.730 20 0 FCADHO CCCN(C)CC(=O)NC[C@H]1CSCCN1C(=O)C[N@@H+](C)CCC ZINC000497035020 490135367 /nfs/dbraw/zinc/13/53/67/490135367.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 1 3 358.552 0.730 20 0 FCADHO CCCN(C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC000497035020 490135370 /nfs/dbraw/zinc/13/53/70/490135370.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 1 3 358.552 0.730 20 0 FCADHO CCCN(C)CC(=O)N1CCSC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC000497035020 490135375 /nfs/dbraw/zinc/13/53/75/490135375.db2.gz LEWZEXAZNASBGL-HNNXBMFYSA-N 1 3 358.552 0.730 20 0 FCADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000571355364 491302648 /nfs/dbraw/zinc/30/26/48/491302648.db2.gz UERHZQANIRJKPE-MGNMYUMUSA-N 1 3 365.522 0.806 20 0 FCADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000571355364 491302649 /nfs/dbraw/zinc/30/26/49/491302649.db2.gz UERHZQANIRJKPE-MGNMYUMUSA-N 1 3 365.522 0.806 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000465868920 490148605 /nfs/dbraw/zinc/14/86/05/490148605.db2.gz GTLLAQUBNCETAT-INIZCTEOSA-N 1 3 353.511 0.713 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466033512 490160361 /nfs/dbraw/zinc/16/03/61/490160361.db2.gz LDWJCNNWGCVCLO-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466033512 490160366 /nfs/dbraw/zinc/16/03/66/490160366.db2.gz LDWJCNNWGCVCLO-HZPDHXFCSA-N 1 3 353.511 0.665 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012273 490166324 /nfs/dbraw/zinc/16/63/24/490166324.db2.gz UDVWRPDELLQQBF-SJLPKXTDSA-N 1 3 358.486 0.835 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000398012273 490166334 /nfs/dbraw/zinc/16/63/34/490166334.db2.gz UDVWRPDELLQQBF-SJLPKXTDSA-N 1 3 358.486 0.835 20 0 FCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000520608412 490170042 /nfs/dbraw/zinc/17/00/42/490170042.db2.gz XZZAEKKVRASREZ-WOJBJXKFSA-N 1 3 359.470 0.196 20 0 FCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000520608412 490170047 /nfs/dbraw/zinc/17/00/47/490170047.db2.gz XZZAEKKVRASREZ-WOJBJXKFSA-N 1 3 359.470 0.196 20 0 FCADHO C[C@H](CNC(=O)NC1CCN(CCC(=O)N(C)C)CC1)C[NH+]1CCCC1 ZINC000520979657 490210235 /nfs/dbraw/zinc/21/02/35/490210235.db2.gz HCUXAOWRTPXKFL-MRXNPFEDSA-N 1 3 367.538 0.960 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000422291848 490235711 /nfs/dbraw/zinc/23/57/11/490235711.db2.gz FMSHYZYQEVOHCW-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000422291848 490235714 /nfs/dbraw/zinc/23/57/14/490235714.db2.gz FMSHYZYQEVOHCW-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO CNC(=O)N[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000547344117 490280366 /nfs/dbraw/zinc/28/03/66/490280366.db2.gz SJWXVGLAAHAMDY-OAHLLOKOSA-N 1 3 366.510 0.258 20 0 FCADHO CN1CCN(CCCCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000533982210 490307734 /nfs/dbraw/zinc/30/77/34/490307734.db2.gz PAZNFEMWQOHQBT-UHFFFAOYSA-N 1 3 368.570 0.339 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000483433121 490316668 /nfs/dbraw/zinc/31/66/68/490316668.db2.gz XVOCNAQZPXQVKN-CVEARBPZSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484090 490350947 /nfs/dbraw/zinc/35/09/47/490350947.db2.gz BWIWKBXXKMHBSO-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484090 490350949 /nfs/dbraw/zinc/35/09/49/490350949.db2.gz BWIWKBXXKMHBSO-IRXDYDNUSA-N 1 3 368.522 0.404 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC000448528940 490362430 /nfs/dbraw/zinc/36/24/30/490362430.db2.gz KZSIWUJJQAULIV-UHFFFAOYSA-N 1 3 364.494 0.764 20 0 FCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000484012327 490369354 /nfs/dbraw/zinc/36/93/54/490369354.db2.gz OYCMMZASCVPDLS-OAHLLOKOSA-N 1 3 356.511 0.308 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535007801 490435731 /nfs/dbraw/zinc/43/57/31/490435731.db2.gz NMLIFYNPRMNPIL-CEXWTWQISA-N 1 3 363.550 0.393 20 0 FCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535007801 490435738 /nfs/dbraw/zinc/43/57/38/490435738.db2.gz NMLIFYNPRMNPIL-CEXWTWQISA-N 1 3 363.550 0.393 20 0 FCADHO C[C@@H]1C[C@@H](C)N(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000422638685 490438633 /nfs/dbraw/zinc/43/86/33/490438633.db2.gz QXEDYZSSDLJVTG-MGPQQGTHSA-N 1 3 362.478 0.129 20 0 FCADHO C[C@H](C[C@H]1COCCN1)[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422714585 490464004 /nfs/dbraw/zinc/46/40/04/490464004.db2.gz LDHSXUOMQFSXBH-MSOLQXFVSA-N 1 3 362.522 0.735 20 0 FCADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000422752378 490470929 /nfs/dbraw/zinc/47/09/29/490470929.db2.gz CTBKZUBEHBRXQQ-UHFFFAOYSA-N 1 3 352.460 0.491 20 0 FCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000510381840 490512904 /nfs/dbraw/zinc/51/29/04/490512904.db2.gz ZQAXUCWOMLTWPU-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000500436605 490516823 /nfs/dbraw/zinc/51/68/23/490516823.db2.gz AYVUWYPRICFVRO-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000500436605 490516828 /nfs/dbraw/zinc/51/68/28/490516828.db2.gz AYVUWYPRICFVRO-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423019611 490521050 /nfs/dbraw/zinc/52/10/50/490521050.db2.gz WMMXMVPKKJHLSS-AWEZNQCLSA-N 1 3 352.504 0.978 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000485392929 490527929 /nfs/dbraw/zinc/52/79/29/490527929.db2.gz XMUPJERVBPVXDM-MRXNPFEDSA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000485392929 490527933 /nfs/dbraw/zinc/52/79/33/490527933.db2.gz XMUPJERVBPVXDM-MRXNPFEDSA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396514 490527971 /nfs/dbraw/zinc/52/79/71/490527971.db2.gz LYCRWIWBRLHUNO-SJORKVTESA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396514 490527978 /nfs/dbraw/zinc/52/79/78/490527978.db2.gz LYCRWIWBRLHUNO-SJORKVTESA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396511 490528585 /nfs/dbraw/zinc/52/85/85/490528585.db2.gz LYCRWIWBRLHUNO-IRXDYDNUSA-N 1 3 367.538 0.912 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000485396511 490528588 /nfs/dbraw/zinc/52/85/88/490528588.db2.gz LYCRWIWBRLHUNO-IRXDYDNUSA-N 1 3 367.538 0.912 20 0 FCADHO C[C@H](CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nccs1 ZINC000571884990 491335358 /nfs/dbraw/zinc/33/53/58/491335358.db2.gz PBNHSVSYSBLHPH-CQSZACIVSA-N 1 3 369.535 0.657 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485818996 490561603 /nfs/dbraw/zinc/56/16/03/490561603.db2.gz RFRXMSIQNVFCDQ-AWEZNQCLSA-N 1 3 364.494 0.822 20 0 FCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000564913667 491336121 /nfs/dbraw/zinc/33/61/21/491336121.db2.gz RFCZCMHOWFMBDS-ZBFHGGJFSA-N 1 3 364.515 0.945 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000556796037 491337552 /nfs/dbraw/zinc/33/75/52/491337552.db2.gz VCVOWGRNVZHWRW-GOSISDBHSA-N 1 3 360.502 0.954 20 0 FCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)CC1 ZINC000556797131 491337693 /nfs/dbraw/zinc/33/76/93/491337693.db2.gz YMBWFHATZBKGBN-ROUUACIJSA-N 1 3 362.518 0.873 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)CC1 ZINC000556797129 491337810 /nfs/dbraw/zinc/33/78/10/491337810.db2.gz YMBWFHATZBKGBN-QZTJIDSGSA-N 1 3 362.518 0.873 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000549699498 490594561 /nfs/dbraw/zinc/59/45/61/490594561.db2.gz QSEHPICZRZZIEO-UHFFFAOYSA-N 1 3 373.404 0.573 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc(F)c1 ZINC000550182091 490636479 /nfs/dbraw/zinc/63/64/79/490636479.db2.gz GPOXNDWQGVMJBH-UHFFFAOYSA-N 1 3 352.454 0.436 20 0 FCADHO Cc1cc2c(cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)OCO2 ZINC000526132226 490678033 /nfs/dbraw/zinc/67/80/33/490678033.db2.gz QGXCRFVOHRNQCE-UHFFFAOYSA-N 1 3 364.446 0.614 20 0 FCADHO C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000526131904 490678100 /nfs/dbraw/zinc/67/81/00/490678100.db2.gz AIKWGRKODYYYQX-AWEZNQCLSA-N 1 3 364.494 0.744 20 0 FCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943024 490680894 /nfs/dbraw/zinc/68/08/94/490680894.db2.gz WVPMMRBHSREMSY-NXHRZFHOSA-N 1 3 360.502 0.589 20 0 FCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943024 490680897 /nfs/dbraw/zinc/68/08/97/490680897.db2.gz WVPMMRBHSREMSY-NXHRZFHOSA-N 1 3 360.502 0.589 20 0 FCADHO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000512530022 490687196 /nfs/dbraw/zinc/68/71/96/490687196.db2.gz XTSHLLHBOODRKW-QGZVFWFLSA-N 1 3 364.490 0.845 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000513463274 490731055 /nfs/dbraw/zinc/73/10/55/490731055.db2.gz KTZKBKIOUZDAHM-OAHLLOKOSA-N 1 3 370.538 0.648 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000514598976 490773549 /nfs/dbraw/zinc/77/35/49/490773549.db2.gz AMOLZQQNWNUXKR-INIZCTEOSA-N 1 3 372.473 0.901 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000557122225 491354678 /nfs/dbraw/zinc/35/46/78/491354678.db2.gz QHTCZRRSNWNZEH-OAGGEKHMSA-N 1 3 350.507 0.964 20 0 FCADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000488885077 490780261 /nfs/dbraw/zinc/78/02/61/490780261.db2.gz LCYLAYSVTINGIE-LJQANCHMSA-N 1 3 360.502 0.676 20 0 FCADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000514737539 490785897 /nfs/dbraw/zinc/78/58/97/490785897.db2.gz XMTOXVMIHLYSOR-GVDBMIGSSA-N 1 3 359.474 0.113 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@@H]3C(N)=O)CC2)CC1 ZINC000565190220 491358991 /nfs/dbraw/zinc/35/89/91/491358991.db2.gz SIOFMNQVXSHOHO-MRXNPFEDSA-N 1 3 368.547 0.612 20 0 FCADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000515310051 490817233 /nfs/dbraw/zinc/81/72/33/490817233.db2.gz LPLHDTWLAVJEOW-ROUUACIJSA-N 1 3 363.506 0.942 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C[NH+]1CCCC1 ZINC000515819344 490839204 /nfs/dbraw/zinc/83/92/04/490839204.db2.gz OKRAMZNIKZJALR-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000515872190 490842198 /nfs/dbraw/zinc/84/21/98/490842198.db2.gz VCJUAXOPWCUSIX-BZZMCLGOSA-N 1 3 371.485 0.603 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000515872190 490842200 /nfs/dbraw/zinc/84/22/00/490842200.db2.gz VCJUAXOPWCUSIX-BZZMCLGOSA-N 1 3 371.485 0.603 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224460 491361495 /nfs/dbraw/zinc/36/14/95/491361495.db2.gz JENATBPKJNDRCU-QFBILLFUSA-N 1 3 360.458 0.496 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565224460 491361497 /nfs/dbraw/zinc/36/14/97/491361497.db2.gz JENATBPKJNDRCU-QFBILLFUSA-N 1 3 360.458 0.496 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000517157822 490896763 /nfs/dbraw/zinc/89/67/63/490896763.db2.gz VZSCRVRSUSIBMC-OAHLLOKOSA-N 1 3 356.511 0.308 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000517157822 490896765 /nfs/dbraw/zinc/89/67/65/490896765.db2.gz VZSCRVRSUSIBMC-OAHLLOKOSA-N 1 3 356.511 0.308 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(=O)OC)[C@H](C)O)CC2)CC1 ZINC000517173291 490897512 /nfs/dbraw/zinc/89/75/12/490897512.db2.gz WCPLZTOITXFCFF-XJKSGUPXSA-N 1 3 355.479 0.221 20 0 FCADHO [NH3+][C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)Cc1ccccc1 ZINC000517931074 490924834 /nfs/dbraw/zinc/92/48/34/490924834.db2.gz WAZBSBFDBWJSST-GOSISDBHSA-N 1 3 358.486 0.713 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000530880616 490929598 /nfs/dbraw/zinc/92/95/98/490929598.db2.gz DAOQAZRAHRRMCZ-UHFFFAOYSA-N 1 3 360.458 0.625 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000530881197 490929841 /nfs/dbraw/zinc/92/98/41/490929841.db2.gz AINMYMCDMPRYPX-UHFFFAOYSA-N 1 3 360.480 0.095 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000518290102 490936233 /nfs/dbraw/zinc/93/62/33/490936233.db2.gz AELBEOFBPNZADV-KRWDZBQOSA-N 1 3 365.522 0.809 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000543751227 490944586 /nfs/dbraw/zinc/94/45/86/490944586.db2.gz GYSQILCLFLWYKY-INIZCTEOSA-N 1 3 363.506 0.586 20 0 FCADHO C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000543751227 490944588 /nfs/dbraw/zinc/94/45/88/490944588.db2.gz GYSQILCLFLWYKY-INIZCTEOSA-N 1 3 363.506 0.586 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)O[C@H](CO)C3)CC2)CC1 ZINC000519612367 490979320 /nfs/dbraw/zinc/97/93/20/490979320.db2.gz LUNABBZHCXAPRH-QAPCUYQASA-N 1 3 353.507 0.791 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000569482022 491163396 /nfs/dbraw/zinc/16/33/96/491163396.db2.gz ZXTKJDUKEUWNNP-AWEZNQCLSA-N 1 3 363.462 0.492 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C[C@H]2[NH3+])cn1 ZINC000572521768 491376438 /nfs/dbraw/zinc/37/64/38/491376438.db2.gz SHEJDBJTTZOJRA-NZSAHSFTSA-N 1 3 368.485 0.980 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673512457 493338013 /nfs/dbraw/zinc/33/80/13/493338013.db2.gz GMHPGHBFEWRTOU-PMACEKPBSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512457 493338016 /nfs/dbraw/zinc/33/80/16/493338016.db2.gz GMHPGHBFEWRTOU-PMACEKPBSA-N 1 3 372.513 0.866 20 0 FCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673512457 493338018 /nfs/dbraw/zinc/33/80/18/493338018.db2.gz GMHPGHBFEWRTOU-PMACEKPBSA-N 1 3 372.513 0.866 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565201 491383570 /nfs/dbraw/zinc/38/35/70/491383570.db2.gz XEOQMTIENWIZDC-HOCLYGCPSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N(C)C1CC1 ZINC000557565201 491383573 /nfs/dbraw/zinc/38/35/73/491383573.db2.gz XEOQMTIENWIZDC-HOCLYGCPSA-N 1 3 350.507 0.776 20 0 FCADHO CC1CCN(C[C@H](O)CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000565655679 491391424 /nfs/dbraw/zinc/39/14/24/491391424.db2.gz VYGORHQPBQUWTK-JKSUJKDBSA-N 1 3 363.506 0.710 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000565764051 491398212 /nfs/dbraw/zinc/39/82/12/491398212.db2.gz IDMITPIYHDDURA-UHFFFAOYSA-N 1 3 364.465 0.832 20 0 FCADHO CN(CCC[NH+](C)C)C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000557902530 491403950 /nfs/dbraw/zinc/40/39/50/491403950.db2.gz XLMQECFRFBGAOB-UHFFFAOYSA-N 1 3 361.490 0.824 20 0 FCADHO CN1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](CN)C1 ZINC000572975356 491405004 /nfs/dbraw/zinc/40/50/04/491405004.db2.gz FUGFLDINNLMGCT-KRWDZBQOSA-N 1 3 363.506 0.801 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000558134535 491415922 /nfs/dbraw/zinc/41/59/22/491415922.db2.gz DSMUKWTWJXIZJE-KRWDZBQOSA-N 1 3 368.522 0.593 20 0 FCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000558210476 491420111 /nfs/dbraw/zinc/42/01/11/491420111.db2.gz TUTVDLWOYNRMAL-IXDOHACOSA-N 1 3 368.522 0.545 20 0 FCADHO CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000566180282 491423417 /nfs/dbraw/zinc/42/34/17/491423417.db2.gz APNZADNHBNSLIO-ROUUACIJSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000573547200 491439895 /nfs/dbraw/zinc/43/98/95/491439895.db2.gz XQPIDOOFYBBIFC-AYOQOUSVSA-N 1 3 372.513 0.874 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000566728279 491462800 /nfs/dbraw/zinc/46/28/00/491462800.db2.gz VHPIWHHZRUBSCW-IRXDYDNUSA-N 1 3 359.474 0.634 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000559375809 491468576 /nfs/dbraw/zinc/46/85/76/491468576.db2.gz CWVKNTXWPXJUDG-UHFFFAOYSA-N 1 3 356.511 0.448 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559464001 491475436 /nfs/dbraw/zinc/47/54/36/491475436.db2.gz WIYSQDVOAXPWOQ-QGZVFWFLSA-N 1 3 368.522 0.548 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000574167810 491478582 /nfs/dbraw/zinc/47/85/82/491478582.db2.gz UWMNPFUAAKREGN-BRSBDYLESA-N 1 3 351.539 0.947 20 0 FCADHO COCCN(C)CCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000559681863 491491813 /nfs/dbraw/zinc/49/18/13/491491813.db2.gz IZXLFVPOQHMMSN-UHFFFAOYSA-N 1 3 368.522 0.594 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CCN2C1=O ZINC000574466448 491499258 /nfs/dbraw/zinc/49/92/58/491499258.db2.gz GRUQHKHRPXWEDX-MSOLQXFVSA-N 1 3 371.485 0.736 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000574511044 491501634 /nfs/dbraw/zinc/50/16/34/491501634.db2.gz RSTBQFYOYQKMLN-DOTOQJQBSA-N 1 3 350.507 0.777 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000567498386 491510091 /nfs/dbraw/zinc/51/00/91/491510091.db2.gz UGHRHJARISUXJQ-SFHVURJKSA-N 1 3 373.501 0.944 20 0 FCADHO O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000567675231 491522138 /nfs/dbraw/zinc/52/21/38/491522138.db2.gz HBZYDMAKIYDILO-RBUKOAKNSA-N 1 3 357.502 0.808 20 0 FCADHO CCn1ccnc1CN(C(=O)C[C@@H]1CNCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567736042 491525924 /nfs/dbraw/zinc/52/59/24/491525924.db2.gz CCTQIIYIWIBMNF-HZPDHXFCSA-N 1 3 361.490 0.752 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000567780529 491529643 /nfs/dbraw/zinc/52/96/43/491529643.db2.gz WTKCKIRENVLWDK-QGZVFWFLSA-N 1 3 362.474 0.502 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000567841572 491534200 /nfs/dbraw/zinc/53/42/00/491534200.db2.gz IJSZTSWTFIAVRI-OAGGEKHMSA-N 1 3 351.495 0.319 20 0 FCADHO C[C@@H]1CN(C[C@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)O1 ZINC000575174434 491543716 /nfs/dbraw/zinc/54/37/16/491543716.db2.gz FFNSRWDYSRUGBY-KZNAEPCWSA-N 1 3 355.523 0.691 20 0 FCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000568017455 491547560 /nfs/dbraw/zinc/54/75/60/491547560.db2.gz PDBDTVCYQOVALY-QGZVFWFLSA-N 1 3 368.522 0.594 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400010 491551803 /nfs/dbraw/zinc/55/18/03/491551803.db2.gz HKOIBAAYYZEUQQ-KURKYZTESA-N 1 3 371.485 0.303 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000575851361 491564815 /nfs/dbraw/zinc/56/48/15/491564815.db2.gz MWEATGLERXBUHR-UHFFFAOYSA-N 1 3 373.501 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[C@H]1[NH3+] ZINC000584464506 491594240 /nfs/dbraw/zinc/59/42/40/491594240.db2.gz RRYHDZDTIHKLRK-QXCFHYIPSA-N 1 3 370.497 0.915 20 0 FCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000568737319 491604920 /nfs/dbraw/zinc/60/49/20/491604920.db2.gz JVXPWISBGDLRRC-XHSDSOJGSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1=CCN(C)CC1 ZINC000569172012 491639876 /nfs/dbraw/zinc/63/98/76/491639876.db2.gz NVEMWTAYGBOYNV-OAHLLOKOSA-N 1 3 366.506 0.058 20 0 FCADHO C[C@@H](NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1=CCN(C)CC1 ZINC000569172012 491639878 /nfs/dbraw/zinc/63/98/78/491639878.db2.gz NVEMWTAYGBOYNV-OAHLLOKOSA-N 1 3 366.506 0.058 20 0 FCADHO CC(CCN1CCC[C@H]2C(=O)NC[C@H]21)CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000569197847 491641261 /nfs/dbraw/zinc/64/12/61/491641261.db2.gz XTWRILRBADUHIK-BRSBDYLESA-N 1 3 362.518 0.824 20 0 FCADHO CC(CCN1CCC[C@H]2C(=O)NC[C@H]21)CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000569197847 491641264 /nfs/dbraw/zinc/64/12/64/491641264.db2.gz XTWRILRBADUHIK-BRSBDYLESA-N 1 3 362.518 0.824 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000577726820 491646285 /nfs/dbraw/zinc/64/62/85/491646285.db2.gz IVIPKAQRTVCOJL-SFHVURJKSA-N 1 3 356.470 0.640 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000576900448 491654999 /nfs/dbraw/zinc/65/49/99/491654999.db2.gz CXGVOWSDCZRWCO-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000576900448 491655003 /nfs/dbraw/zinc/65/50/03/491655003.db2.gz CXGVOWSDCZRWCO-DLBZAZTESA-N 1 3 368.522 0.404 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000576901635 491655369 /nfs/dbraw/zinc/65/53/69/491655369.db2.gz ZUMMMIPVPIAUBG-MRXNPFEDSA-N 1 3 356.511 0.404 20 0 FCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313962 491674390 /nfs/dbraw/zinc/67/43/90/491674390.db2.gz GXTHYDAFZRFJAI-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000578313962 491674391 /nfs/dbraw/zinc/67/43/91/491674391.db2.gz GXTHYDAFZRFJAI-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000578542945 491679573 /nfs/dbraw/zinc/67/95/73/491679573.db2.gz IQYZHOZVKRYLDK-DLBZAZTESA-N 1 3 350.507 0.907 20 0 FCADHO CN1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000579227881 491693392 /nfs/dbraw/zinc/69/33/92/491693392.db2.gz LJTWBAZBDMWLEY-IBGZPJMESA-N 1 3 359.518 0.690 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000579469195 491698432 /nfs/dbraw/zinc/69/84/32/491698432.db2.gz STSSLWFKGVGNHS-CQSZACIVSA-N 1 3 364.494 0.649 20 0 FCADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCCCCC1 ZINC000579572920 491700683 /nfs/dbraw/zinc/70/06/83/491700683.db2.gz HGMDXVHIDBJBPR-IRXDYDNUSA-N 1 3 367.538 0.105 20 0 FCADHO Cn1cncc1CCCN1CC[N@H+](CCCc2cncn2C)CC(O)C1 ZINC000579848963 491706739 /nfs/dbraw/zinc/70/67/39/491706739.db2.gz BCPUWJLXPSHOLD-UHFFFAOYSA-N 1 3 360.506 0.698 20 0 FCADHO Cn1cncc1CCCN1CC[N@@H+](CCCc2cncn2C)CC(O)C1 ZINC000579848963 491706740 /nfs/dbraw/zinc/70/67/40/491706740.db2.gz BCPUWJLXPSHOLD-UHFFFAOYSA-N 1 3 360.506 0.698 20 0 FCADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCNC1=O ZINC000579858186 491707113 /nfs/dbraw/zinc/70/71/13/491707113.db2.gz SVXRYJKBVDEHOT-QGZVFWFLSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000580075079 491716239 /nfs/dbraw/zinc/71/62/39/491716239.db2.gz UEEYQWWQRYDRRN-ZIAGYGMSSA-N 1 3 350.463 0.485 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580073712 491716347 /nfs/dbraw/zinc/71/63/47/491716347.db2.gz PSWQPNYEYYPDKC-HUUCEWRRSA-N 1 3 355.508 0.434 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000580710253 491742272 /nfs/dbraw/zinc/74/22/72/491742272.db2.gz XLHNCTOXXBKVOK-JKSUJKDBSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCN(C)C2CC2)CCCO1 ZINC000581331424 491769124 /nfs/dbraw/zinc/76/91/24/491769124.db2.gz QYOMUJBIKIWSBN-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CCN(C)C2CC2)CCCO1 ZINC000581331424 491769125 /nfs/dbraw/zinc/76/91/25/491769125.db2.gz QYOMUJBIKIWSBN-HNNXBMFYSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000581400596 491771580 /nfs/dbraw/zinc/77/15/80/491771580.db2.gz SSDBGPBFMOPPDF-CQSZACIVSA-N 1 3 364.494 0.933 20 0 FCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000581400596 491771581 /nfs/dbraw/zinc/77/15/81/491771581.db2.gz SSDBGPBFMOPPDF-CQSZACIVSA-N 1 3 364.494 0.933 20 0 FCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000581548343 491777270 /nfs/dbraw/zinc/77/72/70/491777270.db2.gz DNLKSHXWQBOGMF-KGLIPLIRSA-N 1 3 350.463 0.485 20 0 FCADHO COCC[NH+](CCOC)C1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000581625052 491780260 /nfs/dbraw/zinc/78/02/60/491780260.db2.gz NLNROBWXJQFFLB-UHFFFAOYSA-N 1 3 356.511 0.849 20 0 FCADHO CN(CC(=O)N1CCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000591030529 491794021 /nfs/dbraw/zinc/79/40/21/491794021.db2.gz FEIYTGGXGBCPTE-UHFFFAOYSA-N 1 3 365.522 0.809 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668498366 493364548 /nfs/dbraw/zinc/36/45/48/493364548.db2.gz QFBAJIHFDHSNFJ-KRWDZBQOSA-N 1 3 366.506 0.204 20 0 FCADHO CCOC(=O)C1([C@H](C)NCCS(=O)(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000591568957 491808823 /nfs/dbraw/zinc/80/88/23/491808823.db2.gz ORQKGWGNLLNROH-ZDUSSCGKSA-N 1 3 363.524 0.615 20 0 FCADHO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCO1 ZINC000582739148 491824957 /nfs/dbraw/zinc/82/49/57/491824957.db2.gz SLMCBLPQFVTFOP-ZACQAIPSSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCO1 ZINC000582739148 491824958 /nfs/dbraw/zinc/82/49/58/491824958.db2.gz SLMCBLPQFVTFOP-ZACQAIPSSA-N 1 3 366.506 0.299 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000582977327 491834991 /nfs/dbraw/zinc/83/49/91/491834991.db2.gz DWMGIXHNWSWVPG-INIZCTEOSA-N 1 3 354.495 0.156 20 0 FCADHO CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000583823936 491852851 /nfs/dbraw/zinc/85/28/51/491852851.db2.gz NLKZCOHPTBXACK-KRWDZBQOSA-N 1 3 362.474 0.201 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000583945690 491855337 /nfs/dbraw/zinc/85/53/37/491855337.db2.gz CSFPNRUHDPZHLC-ARFHVFGLSA-N 1 3 354.495 0.188 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCCC1 ZINC000584008465 491856498 /nfs/dbraw/zinc/85/64/98/491856498.db2.gz SRWKCQWRFQMCQY-CRAIPNDOSA-N 1 3 370.563 0.921 20 0 FCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000611651034 491865758 /nfs/dbraw/zinc/86/57/58/491865758.db2.gz UASRGAVNSSLQAY-VYDXJSESSA-N 1 3 350.507 0.822 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594988524 491875318 /nfs/dbraw/zinc/87/53/18/491875318.db2.gz OLCTZJJBZCHXQR-IRXDYDNUSA-N 1 3 365.522 0.713 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594988524 491875319 /nfs/dbraw/zinc/87/53/19/491875319.db2.gz OLCTZJJBZCHXQR-IRXDYDNUSA-N 1 3 365.522 0.713 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595266490 491909369 /nfs/dbraw/zinc/90/93/69/491909369.db2.gz WYSUCGSMPHZBKX-XUWVNRHRSA-N 1 3 351.495 0.308 20 0 FCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595266490 491909371 /nfs/dbraw/zinc/90/93/71/491909371.db2.gz WYSUCGSMPHZBKX-XUWVNRHRSA-N 1 3 351.495 0.308 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612600465 491937836 /nfs/dbraw/zinc/93/78/36/491937836.db2.gz IMBDFKBIYBYMEE-INIZCTEOSA-N 1 3 354.495 0.204 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599628 491938033 /nfs/dbraw/zinc/93/80/33/491938033.db2.gz ZQSMTANEXCCTSS-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599628 491938034 /nfs/dbraw/zinc/93/80/34/491938034.db2.gz ZQSMTANEXCCTSS-DOTOQJQBSA-N 1 3 366.506 0.156 20 0 FCADHO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612919896 491958639 /nfs/dbraw/zinc/95/86/39/491958639.db2.gz ZSKJROLPRSCLSV-ZBFHGGJFSA-N 1 3 361.494 0.446 20 0 FCADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000595896742 491959791 /nfs/dbraw/zinc/95/97/91/491959791.db2.gz WYCIKPJPXWRKRS-VGWMRTNUSA-N 1 3 353.463 0.369 20 0 FCADHO CN(C)[C@@H](CNC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccccc1 ZINC000603177178 492017247 /nfs/dbraw/zinc/01/72/47/492017247.db2.gz NBRMBJVQRYPBMU-INIZCTEOSA-N 1 3 362.503 0.889 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000597444643 492038599 /nfs/dbraw/zinc/03/85/99/492038599.db2.gz DLFLWOQEXVFOPE-UHFFFAOYSA-N 1 3 367.538 0.912 20 0 FCADHO COCCN1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000605882062 492104872 /nfs/dbraw/zinc/10/48/72/492104872.db2.gz NZEVCDQTAWXMQI-INIZCTEOSA-N 1 3 354.495 0.651 20 0 FCADHO C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665585 492126195 /nfs/dbraw/zinc/12/61/95/492126195.db2.gz HOKCZPMVXGAOSK-NVXWUHKLSA-N 1 3 367.538 0.959 20 0 FCADHO COC(=O)COCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000598983897 492128298 /nfs/dbraw/zinc/12/82/98/492128298.db2.gz YGDYRXAKSZPKPF-UHFFFAOYSA-N 1 3 356.467 0.034 20 0 FCADHO COC1CC[NH+](C(C)(C)CNC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000607242117 492141791 /nfs/dbraw/zinc/14/17/91/492141791.db2.gz TWIPRFDPNGRZKM-UHFFFAOYSA-N 1 3 356.511 0.632 20 0 FCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)[C@H](C)C1 ZINC000607245696 492142300 /nfs/dbraw/zinc/14/23/00/492142300.db2.gz YTEAFQBCGNRGBN-IAGOWNOFSA-N 1 3 370.538 0.879 20 0 FCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2(O)CCN(C)CC2)[C@H](C)C1 ZINC000607245696 492142301 /nfs/dbraw/zinc/14/23/01/492142301.db2.gz YTEAFQBCGNRGBN-IAGOWNOFSA-N 1 3 370.538 0.879 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000647495032 492298125 /nfs/dbraw/zinc/29/81/25/492298125.db2.gz LECDUXMZNOGOCG-RYUDHWBXSA-N 1 3 354.426 0.947 20 0 FCADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000647597332 492331985 /nfs/dbraw/zinc/33/19/85/492331985.db2.gz DPNPAANIDGELII-JKSUJKDBSA-N 1 3 367.538 0.245 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654693601 492340966 /nfs/dbraw/zinc/34/09/66/492340966.db2.gz HTPCALTXYOHDLD-INIZCTEOSA-N 1 3 364.494 0.117 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000621153061 492359647 /nfs/dbraw/zinc/35/96/47/492359647.db2.gz JZUCXPCROOJFLN-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN[C@@H](C(C)C)C2)CC1=O ZINC000621153061 492359651 /nfs/dbraw/zinc/35/96/51/492359651.db2.gz JZUCXPCROOJFLN-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634703079 492360808 /nfs/dbraw/zinc/36/08/08/492360808.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 1 3 374.529 0.800 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642537970 492363130 /nfs/dbraw/zinc/36/31/30/492363130.db2.gz MDPFZEBTIZKEES-MRXNPFEDSA-N 1 3 362.474 0.502 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642684690 492372336 /nfs/dbraw/zinc/37/23/36/492372336.db2.gz LSVKHTIFKOBCFX-UHFFFAOYSA-N 1 3 358.486 0.944 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000642732202 492382676 /nfs/dbraw/zinc/38/26/76/492382676.db2.gz YEXQVEHDSRCGQA-MRXNPFEDSA-N 1 3 350.507 0.827 20 0 FCADHO CC1([NH3+])CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000642732933 492383098 /nfs/dbraw/zinc/38/30/98/492383098.db2.gz GAPHGQBRKFAZCW-UHFFFAOYSA-N 1 3 358.486 0.891 20 0 FCADHO O=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642787186 492392056 /nfs/dbraw/zinc/39/20/56/492392056.db2.gz GFOFLVKSNTUEEM-MRXNPFEDSA-N 1 3 359.474 0.673 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919013 492403569 /nfs/dbraw/zinc/40/35/69/492403569.db2.gz KYKMALLJMSLANP-UHFFFAOYSA-N 1 3 350.438 0.584 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000642922020 492404884 /nfs/dbraw/zinc/40/48/84/492404884.db2.gz FGYKXMIUSAGGEO-AEFFLSMTSA-N 1 3 358.486 0.835 20 0 FCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000642982015 492410061 /nfs/dbraw/zinc/41/00/61/492410061.db2.gz NSHKIMVRLLLEPJ-WMZOPIPTSA-N 1 3 356.470 0.849 20 0 FCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000642982015 492410064 /nfs/dbraw/zinc/41/00/64/492410064.db2.gz NSHKIMVRLLLEPJ-WMZOPIPTSA-N 1 3 356.470 0.849 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)o1 ZINC000642982358 492411157 /nfs/dbraw/zinc/41/11/57/492411157.db2.gz UGSHNMYFVLBDEB-HNNXBMFYSA-N 1 3 350.463 0.737 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)Cc1ccccc1 ZINC000621838027 492421638 /nfs/dbraw/zinc/42/16/38/492421638.db2.gz WMHGSGJBEDWFSX-UWVAXJGDSA-N 1 3 358.486 0.615 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)o1 ZINC000622026230 492442592 /nfs/dbraw/zinc/44/25/92/492442592.db2.gz HDBFEPSVICHBLK-HNAYVOBHSA-N 1 3 362.474 0.818 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028274 492443386 /nfs/dbraw/zinc/44/33/86/492443386.db2.gz OUUMWVWMIIBMTI-CRAIPNDOSA-N 1 3 354.495 0.143 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030450 492445328 /nfs/dbraw/zinc/44/53/28/492445328.db2.gz WLSOUNYUPQHWIY-YJBOKZPZSA-N 1 3 364.515 0.978 20 0 FCADHO CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)Cc1ccco1 ZINC000622031798 492445956 /nfs/dbraw/zinc/44/59/56/492445956.db2.gz UGVFZJBQSXEAAV-DNVCBOLYSA-N 1 3 362.474 0.900 20 0 FCADHO CN1CCN(C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512573 492462946 /nfs/dbraw/zinc/46/29/46/492462946.db2.gz OAHIQUKEALONEW-ROUUACIJSA-N 1 3 350.507 0.478 20 0 FCADHO CN1CCN(C[C@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512573 492462949 /nfs/dbraw/zinc/46/29/49/492462949.db2.gz OAHIQUKEALONEW-ROUUACIJSA-N 1 3 350.507 0.478 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2ccncc2)CC1 ZINC000643478992 492475686 /nfs/dbraw/zinc/47/56/86/492475686.db2.gz ZKBWVYHHZQZWFT-DLBZAZTESA-N 1 3 371.485 0.578 20 0 FCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000643503014 492483722 /nfs/dbraw/zinc/48/37/22/492483722.db2.gz YMEZVBDBDBDFFE-PMPSAXMXSA-N 1 3 354.495 0.141 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCO1 ZINC000643503513 492483849 /nfs/dbraw/zinc/48/38/49/492483849.db2.gz LNUYVVJIFPJITO-GDBMZVCRSA-N 1 3 352.479 0.038 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN2CCCC[C@@H](N)C2=O)C1 ZINC000649344186 492540481 /nfs/dbraw/zinc/54/04/81/492540481.db2.gz CCPZNVDUPZHKHX-JKSUJKDBSA-N 1 3 354.495 0.286 20 0 FCADHO CN(CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)CC(C)(C)C ZINC000636023334 492540892 /nfs/dbraw/zinc/54/08/92/492540892.db2.gz GWDUXGNDCXKGGY-UHFFFAOYSA-N 1 3 354.539 0.877 20 0 FCADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(c3ccncc3)CC2)cnn1C ZINC000649349369 492543153 /nfs/dbraw/zinc/54/31/53/492543153.db2.gz DDIBKRVHPQSXCL-MSOLQXFVSA-N 1 3 354.458 0.775 20 0 FCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656294488 492573950 /nfs/dbraw/zinc/57/39/50/492573950.db2.gz AZMGMEIJWUQEGF-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656294488 492573954 /nfs/dbraw/zinc/57/39/54/492573954.db2.gz AZMGMEIJWUQEGF-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656299094 492576889 /nfs/dbraw/zinc/57/68/89/492576889.db2.gz XAHNSNQWMGDNES-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656299094 492576891 /nfs/dbraw/zinc/57/68/91/492576891.db2.gz XAHNSNQWMGDNES-JKSUJKDBSA-N 1 3 354.495 0.204 20 0 FCADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656300832 492577015 /nfs/dbraw/zinc/57/70/15/492577015.db2.gz DLUIRNBYJKAETE-IAGOWNOFSA-N 1 3 366.506 0.347 20 0 FCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656301131 492578327 /nfs/dbraw/zinc/57/83/27/492578327.db2.gz HVDMFLSMHMDBOW-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656336890 492600485 /nfs/dbraw/zinc/60/04/85/492600485.db2.gz DLHMDGCBHUHFGU-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656336890 492600488 /nfs/dbraw/zinc/60/04/88/492600488.db2.gz DLHMDGCBHUHFGU-BRWVUGGUSA-N 1 3 350.507 0.968 20 0 FCADHO C[NH2+]CC(=O)Nc1cccc(-c2cn(CCN3CCN(C)CC3)nn2)c1 ZINC000656437641 492622083 /nfs/dbraw/zinc/62/20/83/492622083.db2.gz BUDBAIVBYJEBFT-UHFFFAOYSA-N 1 3 357.462 0.350 20 0 FCADHO CS(=O)(=O)N1CCN(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000656498240 492625965 /nfs/dbraw/zinc/62/59/65/492625965.db2.gz WHHZECDHTJDZFY-UHFFFAOYSA-N 1 3 367.519 0.217 20 0 FCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000644226390 492672740 /nfs/dbraw/zinc/67/27/40/492672740.db2.gz GQAHWRFFAZINCN-OKZBNKHCSA-N 1 3 356.470 0.669 20 0 FCADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644225680 492673195 /nfs/dbraw/zinc/67/31/95/492673195.db2.gz HLNBESPZIIRFFN-IPMKNSEASA-N 1 3 370.497 0.978 20 0 FCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629801991 492679958 /nfs/dbraw/zinc/67/99/58/492679958.db2.gz QKRRZGZRWUHIKE-OLZOCXBDSA-N 1 3 366.428 0.771 20 0 FCADHO O=C(C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)NCCN1CC[C@H](O)C1 ZINC000629917592 492704442 /nfs/dbraw/zinc/70/44/42/492704442.db2.gz GNSZHLHTJVVWFZ-ICSRJNTNSA-N 1 3 361.486 0.586 20 0 FCADHO O=C(C[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1)NCCN1CC[C@H](O)C1 ZINC000629917592 492704446 /nfs/dbraw/zinc/70/44/46/492704446.db2.gz GNSZHLHTJVVWFZ-ICSRJNTNSA-N 1 3 361.486 0.586 20 0 FCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185032 492786571 /nfs/dbraw/zinc/78/65/71/492786571.db2.gz DWQSTOFUBYNZFZ-SJLPKXTDSA-N 1 3 360.502 0.891 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC000637185032 492786574 /nfs/dbraw/zinc/78/65/74/492786574.db2.gz DWQSTOFUBYNZFZ-SJLPKXTDSA-N 1 3 360.502 0.891 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658089787 492836658 /nfs/dbraw/zinc/83/66/58/492836658.db2.gz ICPRYXWDMOAWDA-UHFFFAOYSA-N 1 3 361.490 0.776 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000658120686 492841178 /nfs/dbraw/zinc/84/11/78/492841178.db2.gz XKILLYMSVXIDKT-AWEZNQCLSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000658120686 492841184 /nfs/dbraw/zinc/84/11/84/492841184.db2.gz XKILLYMSVXIDKT-AWEZNQCLSA-N 1 3 364.494 0.620 20 0 FCADHO O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631898351 492872417 /nfs/dbraw/zinc/87/24/17/492872417.db2.gz JETNSEMWSLAMOQ-UHFFFAOYSA-N 1 3 372.535 0.042 20 0 FCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000631917829 492883456 /nfs/dbraw/zinc/88/34/56/492883456.db2.gz PGACBGMWZQJPQK-UHFFFAOYSA-N 1 3 360.524 0.150 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652347676 492913193 /nfs/dbraw/zinc/91/31/93/492913193.db2.gz JHGMVRDZTNKOSJ-LEUOFYLZSA-N 1 3 366.506 0.284 20 0 FCADHO CCN1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652363178 492916288 /nfs/dbraw/zinc/91/62/88/492916288.db2.gz ZNTFFLUYKXQZDZ-KBAYOESNSA-N 1 3 352.523 0.948 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000652463673 492939636 /nfs/dbraw/zinc/93/96/36/492939636.db2.gz PPPLWIGDOKVCIT-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000652463673 492939638 /nfs/dbraw/zinc/93/96/38/492939638.db2.gz PPPLWIGDOKVCIT-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cn1 ZINC000652621660 492971861 /nfs/dbraw/zinc/97/18/61/492971861.db2.gz QQAYQEXIGDZFQP-UHFFFAOYSA-N 1 3 362.478 0.374 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000638728112 492973292 /nfs/dbraw/zinc/97/32/92/492973292.db2.gz KGLHYFRTVLTDHH-UHFFFAOYSA-N 1 3 352.523 0.774 20 0 FCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000638753513 492976379 /nfs/dbraw/zinc/97/63/79/492976379.db2.gz XJGLOOABBPIDDB-AEFFLSMTSA-N 1 3 369.473 0.736 20 0 FCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000638753515 492976512 /nfs/dbraw/zinc/97/65/12/492976512.db2.gz XJGLOOABBPIDDB-SJLPKXTDSA-N 1 3 369.473 0.736 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836000 492981744 /nfs/dbraw/zinc/98/17/44/492981744.db2.gz PPMHQOKZLIDERA-IEZWGBDMSA-N 1 3 360.502 0.970 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836000 492981745 /nfs/dbraw/zinc/98/17/45/492981745.db2.gz PPMHQOKZLIDERA-IEZWGBDMSA-N 1 3 360.502 0.970 20 0 FCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652668360 492983092 /nfs/dbraw/zinc/98/30/92/492983092.db2.gz YJBYJXWAQJQDSM-NXOAAHMSSA-N 1 3 368.522 0.578 20 0 FCADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673712 492984856 /nfs/dbraw/zinc/98/48/56/492984856.db2.gz YSQOENVWSLGNBR-ZHCJQAHYSA-N 1 3 368.522 0.291 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638949241 492988938 /nfs/dbraw/zinc/98/89/38/492988938.db2.gz ZJUZUDVAKHYKFZ-QAETUUGQSA-N 1 3 350.507 0.953 20 0 FCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652684575 492989847 /nfs/dbraw/zinc/98/98/47/492989847.db2.gz ROWUBUHKKYARPG-QAETUUGQSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)N(C)C1CC1 ZINC000652686261 492990645 /nfs/dbraw/zinc/99/06/45/492990645.db2.gz CNNULBDTUBYOBB-AESZEHBQSA-N 1 3 366.506 0.330 20 0 FCADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000639170619 493000423 /nfs/dbraw/zinc/00/04/23/493000423.db2.gz WIEULSMMWYCMES-UHFFFAOYSA-N 1 3 354.520 0.792 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000646188226 493024998 /nfs/dbraw/zinc/02/49/98/493024998.db2.gz OSSOUOLAUQNCKL-UHFFFAOYSA-N 1 3 361.490 0.887 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000646214253 493028943 /nfs/dbraw/zinc/02/89/43/493028943.db2.gz PVUSLPAGGKLEKX-INMHGKMJSA-N 1 3 363.506 0.701 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646428266 493048615 /nfs/dbraw/zinc/04/86/15/493048615.db2.gz MBXKBDDYRGOQLW-GJZGRUSLSA-N 1 3 350.467 0.213 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1=O ZINC000653183288 493081992 /nfs/dbraw/zinc/08/19/92/493081992.db2.gz BYEZCILLXSBPSZ-YVSFHVDLSA-N 1 3 366.506 0.141 20 0 FCADHO N[C@@H]1CCCCN(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000653181306 493082109 /nfs/dbraw/zinc/08/21/09/493082109.db2.gz DOPIYMAKHFFEGS-FPCVCCKLSA-N 1 3 352.479 0.071 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1=O ZINC000653261430 493086937 /nfs/dbraw/zinc/08/69/37/493086937.db2.gz RJZJRDMXIQOSJG-VQHPVUNQSA-N 1 3 366.506 0.284 20 0 FCADHO CN1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000633004856 493101755 /nfs/dbraw/zinc/10/17/55/493101755.db2.gz ISQYUEFQENPQDW-CJNGLKHVSA-N 1 3 360.462 0.299 20 0 FCADHO CN1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000633004862 493101947 /nfs/dbraw/zinc/10/19/47/493101947.db2.gz ISQYUEFQENPQDW-XJKSGUPXSA-N 1 3 360.462 0.299 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633031932 493106545 /nfs/dbraw/zinc/10/65/45/493106545.db2.gz SXSQPHUJZPJPFC-OKILXGFUSA-N 1 3 360.462 0.441 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633083710 493118829 /nfs/dbraw/zinc/11/88/29/493118829.db2.gz DKAXHNHVCHXZMG-KBPBESRZSA-N 1 3 366.412 0.428 20 0 FCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627295348 493138414 /nfs/dbraw/zinc/13/84/14/493138414.db2.gz ANIDMTXUBLYXGR-HNNXBMFYSA-N 1 3 356.511 0.437 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627311961 493147001 /nfs/dbraw/zinc/14/70/01/493147001.db2.gz LOZHBSMYMYZSGR-WVPQZDDBSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006184 493161726 /nfs/dbraw/zinc/16/17/26/493161726.db2.gz XQWPWHPCEOSUSA-RDJZCZTQSA-N 1 3 372.473 0.705 20 0 FCADHO CCC[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000647091729 493161742 /nfs/dbraw/zinc/16/17/42/493161742.db2.gz FEEYVZQSTBJTDV-OWCLPIDISA-N 1 3 351.495 0.463 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627345994 493166007 /nfs/dbraw/zinc/16/60/07/493166007.db2.gz BHQMGUHQOHLOSQ-CHWSQXEVSA-N 1 3 366.428 0.820 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641163427 493174447 /nfs/dbraw/zinc/17/44/47/493174447.db2.gz KFCGQCMNMQXWRP-UHFFFAOYSA-N 1 3 371.485 0.739 20 0 FCADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659443280 493179398 /nfs/dbraw/zinc/17/93/98/493179398.db2.gz YYVZTGKVYCPVMW-UPJWGTAASA-N 1 3 350.467 0.807 20 0 FCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659443282 493180687 /nfs/dbraw/zinc/18/06/87/493180687.db2.gz YYVZTGKVYCPVMW-XQQFMLRXSA-N 1 3 350.467 0.807 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659443282 493180690 /nfs/dbraw/zinc/18/06/90/493180690.db2.gz YYVZTGKVYCPVMW-XQQFMLRXSA-N 1 3 350.467 0.807 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)N(C)C1CC1 ZINC000627372324 493184224 /nfs/dbraw/zinc/18/42/24/493184224.db2.gz JYVBAYWFKRJVEZ-NTZNESFSSA-N 1 3 364.412 0.571 20 0 FCADHO COCC[C@@H]([NH3+])Cc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230804 493184881 /nfs/dbraw/zinc/18/48/81/493184881.db2.gz UUAYYTMIGFGBQA-IEBWSBKVSA-N 1 3 359.474 0.821 20 0 FCADHO O[C@@]1(Cn2cc(CCN3CC[NH2+]CC3)nn2)CCN(Cc2ccccc2)C1 ZINC000641228649 493186089 /nfs/dbraw/zinc/18/60/89/493186089.db2.gz BXOBCLBEQXAHPE-FQEVSTJZSA-N 1 3 370.501 0.363 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CCOCC2)CC1 ZINC000659318627 493190835 /nfs/dbraw/zinc/19/08/35/493190835.db2.gz NNXOTKGUOLMFKO-UHFFFAOYSA-N 1 3 368.522 0.357 20 0 FCADHO C[NH+](C)CCc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659485966 493192213 /nfs/dbraw/zinc/19/22/13/493192213.db2.gz OOEWNKHAHKRZEC-UHFFFAOYSA-N 1 3 358.446 0.744 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659523973 493205494 /nfs/dbraw/zinc/20/54/94/493205494.db2.gz OPEUNRGHQKBVNG-UHFFFAOYSA-N 1 3 355.527 0.960 20 0 FCADHO CCCN1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659538759 493208419 /nfs/dbraw/zinc/20/84/19/493208419.db2.gz LYRZYPVIQWJVQQ-CHWSQXEVSA-N 1 3 351.417 0.606 20 0 FCADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000659616520 493221234 /nfs/dbraw/zinc/22/12/34/493221234.db2.gz LPSSJVMEOHLVCP-NRGCRIOASA-N 1 3 358.486 0.921 20 0 FCADHO CC[NH+](CC)CC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659632558 493225157 /nfs/dbraw/zinc/22/51/57/493225157.db2.gz AWYOTGOQMRLQMQ-UHFFFAOYSA-N 1 3 350.467 0.904 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000659674621 493245444 /nfs/dbraw/zinc/24/54/44/493245444.db2.gz NMEYHZUKELBSBJ-BPQIPLTHSA-N 1 3 360.502 0.861 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000666992287 493246945 /nfs/dbraw/zinc/24/69/45/493246945.db2.gz VKMZDZNYHBFKRJ-HNNXBMFYSA-N 1 3 355.527 0.768 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659697781 493259328 /nfs/dbraw/zinc/25/93/28/493259328.db2.gz DSWWOMBNZNOIGE-QGZVFWFLSA-N 1 3 368.522 0.309 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000659717936 493270499 /nfs/dbraw/zinc/27/04/99/493270499.db2.gz LLPYQVDFWTZRPT-QGZVFWFLSA-N 1 3 359.474 0.263 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000667298007 493274354 /nfs/dbraw/zinc/27/43/54/493274354.db2.gz ZQQZRZCKUWXDHA-UHFFFAOYSA-N 1 3 373.501 0.631 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659738174 493279641 /nfs/dbraw/zinc/27/96/41/493279641.db2.gz BCUKTJVFZYDITO-HOTGVXAUSA-N 1 3 354.495 0.188 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000659753592 493286506 /nfs/dbraw/zinc/28/65/06/493286506.db2.gz QPXILDCLGUGAOF-GFCCVEGCSA-N 1 3 356.417 0.579 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCCC1 ZINC000673380136 493323852 /nfs/dbraw/zinc/32/38/52/493323852.db2.gz NEKSGDMTBKLHPC-UHFFFAOYSA-N 1 3 373.501 0.968 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660655260 493370335 /nfs/dbraw/zinc/37/03/35/493370335.db2.gz WDOFGLFNKWPBGZ-QGZVFWFLSA-N 1 3 367.538 0.025 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668546449 493374300 /nfs/dbraw/zinc/37/43/00/493374300.db2.gz ZTZGRKSNHRGLTP-ULQDDVLXSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000668546449 493374302 /nfs/dbraw/zinc/37/43/02/493374302.db2.gz ZTZGRKSNHRGLTP-ULQDDVLXSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668548017 493374507 /nfs/dbraw/zinc/37/45/07/493374507.db2.gz DFWIQYPRCJBVSH-CVEARBPZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668548017 493374513 /nfs/dbraw/zinc/37/45/13/493374513.db2.gz DFWIQYPRCJBVSH-CVEARBPZSA-N 1 3 350.507 0.824 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668796010 493412913 /nfs/dbraw/zinc/41/29/13/493412913.db2.gz IWBFQPJVBVVVIU-IRXDYDNUSA-N 1 3 366.506 0.347 20 0 FCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180207 493416016 /nfs/dbraw/zinc/41/60/16/493416016.db2.gz NWBQUBFZAYRXET-KURKYZTESA-N 1 3 359.470 0.805 20 0 FCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661180207 493416021 /nfs/dbraw/zinc/41/60/21/493416021.db2.gz NWBQUBFZAYRXET-KURKYZTESA-N 1 3 359.470 0.805 20 0 FCADHO O=C1CC[C@@H]2CN(C/C=C/C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595784 493449573 /nfs/dbraw/zinc/44/95/73/493449573.db2.gz DYIFSUMIIDYSHG-BXNQOPRTSA-N 1 3 360.502 0.744 20 0 FCADHO O=C1CC[C@@H]2CN(C/C=C/C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661595784 493449575 /nfs/dbraw/zinc/44/95/75/493449575.db2.gz DYIFSUMIIDYSHG-BXNQOPRTSA-N 1 3 360.502 0.744 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252449 493483188 /nfs/dbraw/zinc/48/31/88/493483188.db2.gz LMJXWXBMGUSFEE-JKSUJKDBSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCCO1 ZINC000669252449 493483191 /nfs/dbraw/zinc/48/31/91/493483191.db2.gz LMJXWXBMGUSFEE-JKSUJKDBSA-N 1 3 368.522 0.593 20 0 FCADHO CC(C)(C)n1nnc(CCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000662265555 493501813 /nfs/dbraw/zinc/50/18/13/493501813.db2.gz RALRFCZDYWCBQE-GJZGRUSLSA-N 1 3 363.510 0.551 20 0 FCADHO CN1CCN(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000669415706 493502905 /nfs/dbraw/zinc/50/29/05/493502905.db2.gz AJZVZZWXXBKITP-UHFFFAOYSA-N 1 3 360.506 0.939 20 0 FCADHO C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1CCC[NH3+] ZINC000662316277 493506139 /nfs/dbraw/zinc/50/61/39/493506139.db2.gz VPFFBMVKMZQCDV-NVXWUHKLSA-N 1 3 350.507 0.907 20 0 FCADHO C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)[C@@H]1CCC[NH3+] ZINC000662315086 493506178 /nfs/dbraw/zinc/50/61/78/493506178.db2.gz SIAMRNVRXODGKH-IAGOWNOFSA-N 1 3 367.538 0.058 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662659326 493530359 /nfs/dbraw/zinc/53/03/59/493530359.db2.gz SBKFJMHMMNBDCB-ROUUACIJSA-N 1 3 358.486 0.630 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662715627 493534262 /nfs/dbraw/zinc/53/42/62/493534262.db2.gz LAFGFKDWFJVZTE-HNNXBMFYSA-N 1 3 362.396 0.295 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662715347 493534324 /nfs/dbraw/zinc/53/43/24/493534324.db2.gz HIJGKINOQLOJGV-UHFFFAOYSA-N 1 3 356.470 0.713 20 0 FCADHO CS(=O)(=O)C1(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CCNCC1 ZINC000662844574 493546305 /nfs/dbraw/zinc/54/63/05/493546305.db2.gz YWODARDHZRSHBU-HNNXBMFYSA-N 1 3 357.520 0.391 20 0 FCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662857367 493547452 /nfs/dbraw/zinc/54/74/52/493547452.db2.gz AMNHZTOBGLQKMG-IAGOWNOFSA-N 1 3 369.469 0.983 20 0 FCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000662951549 493560062 /nfs/dbraw/zinc/56/00/62/493560062.db2.gz LSNDDAHCRGJTJE-WIYYLYMNSA-N 1 3 372.513 0.959 20 0 FCADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016681 493566434 /nfs/dbraw/zinc/56/64/34/493566434.db2.gz DTJRFNBWKLDTRK-NEPJUHHUSA-N 1 3 356.421 0.508 20 0 FCADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663503971 493593224 /nfs/dbraw/zinc/59/32/24/493593224.db2.gz OLCHHAWGTHZAHH-UHFFFAOYSA-N 1 3 355.527 0.770 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000670783125 493596465 /nfs/dbraw/zinc/59/64/65/493596465.db2.gz CZLOPMBRENJUJI-UHFFFAOYSA-N 1 3 350.507 0.968 20 0 FCADHO CN1CCN(C(C)(C)CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663558604 493598130 /nfs/dbraw/zinc/59/81/30/493598130.db2.gz UVOSFSGUVJHCHH-QGZVFWFLSA-N 1 3 367.538 0.565 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000671071932 493629787 /nfs/dbraw/zinc/62/97/87/493629787.db2.gz WGMBEOVHZJVMMI-QAPCUYQASA-N 1 3 368.547 0.627 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104282 493635002 /nfs/dbraw/zinc/63/50/02/493635002.db2.gz NABNNMGGTYPSLD-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104282 493635003 /nfs/dbraw/zinc/63/50/03/493635003.db2.gz NABNNMGGTYPSLD-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107187 493635534 /nfs/dbraw/zinc/63/55/34/493635534.db2.gz GTCNOGWANXTLDY-NCOADZHNSA-N 1 3 350.507 0.966 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000671107187 493635536 /nfs/dbraw/zinc/63/55/36/493635536.db2.gz GTCNOGWANXTLDY-NCOADZHNSA-N 1 3 350.507 0.966 20 0 FCADHO Cc1csc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000671109254 493636616 /nfs/dbraw/zinc/63/66/16/493636616.db2.gz DBAQRAYJEGYJEV-UHFFFAOYSA-N 1 3 355.508 0.062 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671108115 493636712 /nfs/dbraw/zinc/63/67/12/493636712.db2.gz VSXVZDZTMCJDFE-JKSUJKDBSA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671108115 493636713 /nfs/dbraw/zinc/63/67/13/493636713.db2.gz VSXVZDZTMCJDFE-JKSUJKDBSA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671108112 493636734 /nfs/dbraw/zinc/63/67/34/493636734.db2.gz VSXVZDZTMCJDFE-CVEARBPZSA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671108112 493636735 /nfs/dbraw/zinc/63/67/35/493636735.db2.gz VSXVZDZTMCJDFE-CVEARBPZSA-N 1 3 362.474 0.913 20 0 FCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181862 493647973 /nfs/dbraw/zinc/64/79/73/493647973.db2.gz SZWDSPWNPAWVEP-DLBZAZTESA-N 1 3 357.458 0.473 20 0 FCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671181862 493647976 /nfs/dbraw/zinc/64/79/76/493647976.db2.gz SZWDSPWNPAWVEP-DLBZAZTESA-N 1 3 357.458 0.473 20 0 FCADHO C[C@H]1C[N@H+](CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)CCCO1 ZINC000664758927 493681863 /nfs/dbraw/zinc/68/18/63/493681863.db2.gz QQOYPXXMAZIZLU-INIZCTEOSA-N 1 3 371.526 0.149 20 0 FCADHO C[C@H]1C[N@@H+](CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)CCCO1 ZINC000664758927 493681865 /nfs/dbraw/zinc/68/18/65/493681865.db2.gz QQOYPXXMAZIZLU-INIZCTEOSA-N 1 3 371.526 0.149 20 0 FCADHO COCCc1ccc(OC[C@H](O)CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000665232846 493705931 /nfs/dbraw/zinc/70/59/31/493705931.db2.gz VZHQAIBCXYFTJK-YCEFEEMOSA-N 1 3 352.475 0.957 20 0 FCADHO Nc1c(C(=O)NCCN2CCCC2)cccc1C(=O)NCC[NH+]1CCCC1 ZINC000665531462 493721464 /nfs/dbraw/zinc/72/14/64/493721464.db2.gz AUBWGOVLIKEBHC-UHFFFAOYSA-N 1 3 373.501 0.920 20 0 FCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C[NH+]1CCCC1 ZINC000672311185 493754819 /nfs/dbraw/zinc/75/48/19/493754819.db2.gz ZNRVCMLNEDZXBK-MRXNPFEDSA-N 1 3 350.507 0.825 20 0 FCADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2nonc21 ZINC000155313100 674344313 /nfs/dbraw/zinc/34/43/13/674344313.db2.gz BFOUQBKMRWWGPE-UHFFFAOYSA-N 1 3 367.475 0.869 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419444213 536497350 /nfs/dbraw/zinc/49/73/50/536497350.db2.gz CDEYZGCGTBOKPZ-IAGOWNOFSA-N 1 3 368.522 0.452 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173919725 529146715 /nfs/dbraw/zinc/14/67/15/529146715.db2.gz WCKNNKHUFXCCTA-INIZCTEOSA-N 1 3 365.526 0.840 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000419538520 536542525 /nfs/dbraw/zinc/54/25/25/536542525.db2.gz OZNWWSYYZCBMOC-ZBFHGGJFSA-N 1 3 354.495 0.189 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419761123 535297366 /nfs/dbraw/zinc/29/73/66/535297366.db2.gz JTOBNLWTSNVMMH-DLBZAZTESA-N 1 3 368.522 0.579 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179623 535440638 /nfs/dbraw/zinc/44/06/38/535440638.db2.gz ZTXZJCZAQHQQOK-HBUWYVDXSA-N 1 3 354.495 0.223 20 0 FCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179623 535440644 /nfs/dbraw/zinc/44/06/44/535440644.db2.gz ZTXZJCZAQHQQOK-HBUWYVDXSA-N 1 3 354.495 0.223 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423474916 535523752 /nfs/dbraw/zinc/52/37/52/535523752.db2.gz PHBNDFYHIXNJOZ-CYBMUJFWSA-N 1 3 366.428 0.916 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419837872 535709357 /nfs/dbraw/zinc/70/93/57/535709357.db2.gz XBRVMHYWIISAKL-MRXNPFEDSA-N 1 3 367.538 0.154 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419837649 535710200 /nfs/dbraw/zinc/71/02/00/535710200.db2.gz WXBLKEPRVUNTOM-SJORKVTESA-N 1 3 369.554 0.208 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908443 535863231 /nfs/dbraw/zinc/86/32/31/535863231.db2.gz DWEZTQOQKSMWAE-HNNXBMFYSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419873781 535864283 /nfs/dbraw/zinc/86/42/83/535864283.db2.gz YZTWTIDDNZGNQO-INIZCTEOSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800634 535865925 /nfs/dbraw/zinc/86/59/25/535865925.db2.gz IFGIEEGKDSAZFF-UHFFFAOYSA-N 1 3 350.463 0.948 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420198970 535866182 /nfs/dbraw/zinc/86/61/82/535866182.db2.gz CSGQMSXAJSGWSI-ARFHVFGLSA-N 1 3 362.474 0.674 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)CC1=O ZINC000443799712 535877266 /nfs/dbraw/zinc/87/72/66/535877266.db2.gz CSUSQXLUERIBJR-IRXDYDNUSA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000419196423 535904301 /nfs/dbraw/zinc/90/43/01/535904301.db2.gz AYAPNBHBOYFYAV-IBGZPJMESA-N 1 3 362.474 0.441 20 0 FCADHO CN(C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000419227983 535943878 /nfs/dbraw/zinc/94/38/78/535943878.db2.gz LOBWMLKTTAMUEI-IAGOWNOFSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000419639535 536028253 /nfs/dbraw/zinc/02/82/53/536028253.db2.gz JQTIRJJULXGQOT-KSZLIROESA-N 1 3 358.486 0.950 20 0 FCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000419639533 536028792 /nfs/dbraw/zinc/02/87/92/536028792.db2.gz JQTIRJJULXGQOT-BZSNNMDCSA-N 1 3 358.486 0.950 20 0 FCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415724340 536035170 /nfs/dbraw/zinc/03/51/70/536035170.db2.gz KTXKHOITYUNGGU-QGZVFWFLSA-N 1 3 359.474 0.193 20 0 FCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000419158015 536336411 /nfs/dbraw/zinc/33/64/11/536336411.db2.gz MIOIZGMLCLDSTI-ZWKOTPCHSA-N 1 3 358.486 0.788 20 0 FCADHO C[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000417379122 536357114 /nfs/dbraw/zinc/35/71/14/536357114.db2.gz FYAQKDBRXMVVJO-QGZVFWFLSA-N 1 3 360.506 0.987 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC000423471848 536366605 /nfs/dbraw/zinc/36/66/05/536366605.db2.gz FLJXMOGYRWTTBP-MRXNPFEDSA-N 1 3 362.474 0.406 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000423666507 536376872 /nfs/dbraw/zinc/37/68/72/536376872.db2.gz MJAPGXPHTNAZCB-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N(CCN)Cc3ccccc3)CC[C@H]21 ZINC000423666507 536376873 /nfs/dbraw/zinc/37/68/73/536376873.db2.gz MJAPGXPHTNAZCB-QZTJIDSGSA-N 1 3 358.486 0.917 20 0 FCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000419758125 536417160 /nfs/dbraw/zinc/41/71/60/536417160.db2.gz DMRBOVPTZUHENX-ZWKOTPCHSA-N 1 3 358.486 0.834 20 0 FCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)[C@@H]2C1 ZINC000425379305 536487225 /nfs/dbraw/zinc/48/72/25/536487225.db2.gz AMVVMBOWVNBKMH-OKZBNKHCSA-N 1 3 362.518 0.729 20 0 FCADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000419883636 536943735 /nfs/dbraw/zinc/94/37/35/536943735.db2.gz WJSABWKNFDMVBU-IAGOWNOFSA-N 1 3 362.474 0.277 20 0 FCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000550709702 547098914 /nfs/dbraw/zinc/09/89/14/547098914.db2.gz CAQUKIFLBNONSE-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000550838430 547109736 /nfs/dbraw/zinc/10/97/36/547109736.db2.gz HITIMYWZQRZKNN-RHSMWYFYSA-N 1 3 356.536 0.340 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000550838430 547109739 /nfs/dbraw/zinc/10/97/39/547109739.db2.gz HITIMYWZQRZKNN-RHSMWYFYSA-N 1 3 356.536 0.340 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H]1C ZINC000550840955 547111459 /nfs/dbraw/zinc/11/14/59/547111459.db2.gz XXBKAQOWWKWLKW-MPGHIAIKSA-N 1 3 370.563 0.871 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H]1C ZINC000550840955 547111467 /nfs/dbraw/zinc/11/14/67/547111467.db2.gz XXBKAQOWWKWLKW-MPGHIAIKSA-N 1 3 370.563 0.871 20 0 FCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000550911656 547115203 /nfs/dbraw/zinc/11/52/03/547115203.db2.gz UERQHEBOYJDOCI-WMLDXEAASA-N 1 3 350.507 0.776 20 0 FCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@@H]1C ZINC000550952359 547117083 /nfs/dbraw/zinc/11/70/83/547117083.db2.gz SALLWYHROGUBMU-JKSUJKDBSA-N 1 3 356.511 0.402 20 0 FCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCN(C)CCOC)C[C@@H]1C ZINC000550952359 547117085 /nfs/dbraw/zinc/11/70/85/547117085.db2.gz SALLWYHROGUBMU-JKSUJKDBSA-N 1 3 356.511 0.402 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000551068557 547123555 /nfs/dbraw/zinc/12/35/55/547123555.db2.gz CCIZAOCJZPWNEU-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000551068558 547123777 /nfs/dbraw/zinc/12/37/77/547123777.db2.gz CCIZAOCJZPWNEU-IRXDYDNUSA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000551068556 547123969 /nfs/dbraw/zinc/12/39/69/547123969.db2.gz CCIZAOCJZPWNEU-DLBZAZTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280333 547139253 /nfs/dbraw/zinc/13/92/53/547139253.db2.gz NUVMHUMKSJCSFL-CVEARBPZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(C)CC1 ZINC000551280333 547139258 /nfs/dbraw/zinc/13/92/58/547139258.db2.gz NUVMHUMKSJCSFL-CVEARBPZSA-N 1 3 350.507 0.824 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000553267515 547265040 /nfs/dbraw/zinc/26/50/40/547265040.db2.gz XIIFWIGWMIJFHR-CQSZACIVSA-N 1 3 354.495 0.202 20 0 FCADHO COc1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1-c1nnn[n-]1 ZINC000821813640 599404136 /nfs/dbraw/zinc/40/41/36/599404136.db2.gz JTJNSNIFKCYYIP-UHFFFAOYSA-N 1 3 359.478 0.993 20 0 FCADHO COc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1-c1nnn[n-]1 ZINC000821813572 599431595 /nfs/dbraw/zinc/43/15/95/599431595.db2.gz JHCJHUSSMVCJDP-UHFFFAOYSA-N 1 3 359.478 0.993 20 0 FCADHO COc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1-c1nnn[n-]1 ZINC000821813572 599431597 /nfs/dbraw/zinc/43/15/97/599431597.db2.gz JHCJHUSSMVCJDP-UHFFFAOYSA-N 1 3 359.478 0.993 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC000954412750 674497045 /nfs/dbraw/zinc/49/70/45/674497045.db2.gz NEDYVTCQFCMEEZ-HYVNUMGLSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(C(=O)CN3CC[C@@H](C)C3)C2)CC[N@H+]1C ZINC000954412750 674497046 /nfs/dbraw/zinc/49/70/46/674497046.db2.gz NEDYVTCQFCMEEZ-HYVNUMGLSA-N 1 3 350.507 0.728 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891484330 663409144 /nfs/dbraw/zinc/40/91/44/663409144.db2.gz UPXBQRWFUSNTRC-HZPDHXFCSA-N 1 3 353.511 0.842 20 0 FCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891513449 663410870 /nfs/dbraw/zinc/41/08/70/663410870.db2.gz CIPGULPBMJUUHN-ARFHVFGLSA-N 1 3 352.479 0.308 20 0 FCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891536035 663412281 /nfs/dbraw/zinc/41/22/81/663412281.db2.gz BJCSRGHVQYVFEX-UPJWGTAASA-N 1 3 352.401 0.876 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000891977153 663460630 /nfs/dbraw/zinc/46/06/30/663460630.db2.gz XBHKSFMTABTUAL-UHFFFAOYSA-N 1 3 351.495 0.501 20 0 FCADHO C[C@H](NS(=O)(=O)N1CCNCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205245 663899807 /nfs/dbraw/zinc/89/98/07/663899807.db2.gz CRBJCXVNLLRYMB-DOTOQJQBSA-N 1 3 352.504 0.637 20 0 FCADHO C[C@H](NS(=O)(=O)N1CCNCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205245 663899812 /nfs/dbraw/zinc/89/98/12/663899812.db2.gz CRBJCXVNLLRYMB-DOTOQJQBSA-N 1 3 352.504 0.637 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000959659254 674582530 /nfs/dbraw/zinc/58/25/30/674582530.db2.gz WQQNUXFLEBRVFH-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000959659254 674582533 /nfs/dbraw/zinc/58/25/33/674582533.db2.gz WQQNUXFLEBRVFH-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO COC1CCN(CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892775229 664141105 /nfs/dbraw/zinc/14/11/05/664141105.db2.gz YCTMKAVCTWMMJJ-INIZCTEOSA-N 1 3 354.495 0.555 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892820850 664146670 /nfs/dbraw/zinc/14/66/70/664146670.db2.gz WRONKVPUKAXYMP-QBPKDAKJSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892820850 664146675 /nfs/dbraw/zinc/14/66/75/664146675.db2.gz WRONKVPUKAXYMP-QBPKDAKJSA-N 1 3 352.479 0.090 20 0 FCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000892920551 664154375 /nfs/dbraw/zinc/15/43/75/664154375.db2.gz WFVGHWBKXWHORK-MRXNPFEDSA-N 1 3 353.511 0.665 20 0 FCADHO CCC1([NH3+])CCN(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000892925383 664155213 /nfs/dbraw/zinc/15/52/13/664155213.db2.gz QUKBQSWAUFFGGO-OAHLLOKOSA-N 1 3 351.495 0.548 20 0 FCADHO C[NH+](C)CCNC(=O)c1ccc(CNC2CC(S(C)(=O)=O)C2)cc1 ZINC000893354236 664249444 /nfs/dbraw/zinc/24/94/44/664249444.db2.gz YVMSNRSGVZBNHB-UHFFFAOYSA-N 1 3 353.488 0.643 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000979859756 664464229 /nfs/dbraw/zinc/46/42/29/664464229.db2.gz GPUPHQPUUNZWEV-WRQOLXDDSA-N 1 3 350.507 0.679 20 0 FCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000979859756 664464232 /nfs/dbraw/zinc/46/42/32/664464232.db2.gz GPUPHQPUUNZWEV-WRQOLXDDSA-N 1 3 350.507 0.679 20 0 FCADHO Cc1csc(=O)n1CCN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549359 664901532 /nfs/dbraw/zinc/90/15/32/664901532.db2.gz PJBAMSDVYGXXJI-OWCLPIDISA-N 1 3 366.531 0.997 20 0 FCADHO Cc1csc(=O)n1CCN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549359 664901533 /nfs/dbraw/zinc/90/15/33/664901533.db2.gz PJBAMSDVYGXXJI-OWCLPIDISA-N 1 3 366.531 0.997 20 0 FCADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1C1CCN([C@H]2CCOC2)CC1 ZINC000925000563 664956206 /nfs/dbraw/zinc/95/62/06/664956206.db2.gz NZPXUAFZRLQZJE-JKSUJKDBSA-N 1 3 350.463 0.646 20 0 FCADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000895668779 665054598 /nfs/dbraw/zinc/05/45/98/665054598.db2.gz RAQOGVCJDSWGSU-GOSISDBHSA-N 1 3 351.491 0.811 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CO)C(=O)OC)CC2)CC1 ZINC000909591292 665162482 /nfs/dbraw/zinc/16/24/82/665162482.db2.gz WIKPORVCCZQSHT-GOSISDBHSA-N 1 3 355.479 0.223 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897480355 665292239 /nfs/dbraw/zinc/29/22/39/665292239.db2.gz XMEWPTGIGCJRLP-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897480355 665292241 /nfs/dbraw/zinc/29/22/41/665292241.db2.gz XMEWPTGIGCJRLP-INIZCTEOSA-N 1 3 353.511 0.666 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000907041438 666088590 /nfs/dbraw/zinc/08/85/90/666088590.db2.gz AALROIVZTPKBGO-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000907041438 666088591 /nfs/dbraw/zinc/08/85/91/666088591.db2.gz AALROIVZTPKBGO-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911561473 666366344 /nfs/dbraw/zinc/36/63/44/666366344.db2.gz HAQDSBWKUORQLJ-CVEARBPZSA-N 1 3 354.495 0.204 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000913331191 666522060 /nfs/dbraw/zinc/52/20/60/666522060.db2.gz MSLURXFZNRRRFZ-UHFFFAOYSA-N 1 3 352.523 0.583 20 0 FCADHO CCC1(N2CCOCC2)CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000913331191 666522062 /nfs/dbraw/zinc/52/20/62/666522062.db2.gz MSLURXFZNRRRFZ-UHFFFAOYSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C(=O)[C@H]1CCN(C)C1)c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC000732911754 666909618 /nfs/dbraw/zinc/90/96/18/666909618.db2.gz GWIZWIQAXVXVAA-STQMWFEESA-N 1 3 365.503 0.626 20 0 FCADHO CN(C(=O)[C@H]1CCN(C)C1)c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC000732911754 666909620 /nfs/dbraw/zinc/90/96/20/666909620.db2.gz GWIZWIQAXVXVAA-STQMWFEESA-N 1 3 365.503 0.626 20 0 FCADHO CN1CCC(NC(=S)NC[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000920309179 667234440 /nfs/dbraw/zinc/23/44/40/667234440.db2.gz AIHWFOPWEDRQHT-INIZCTEOSA-N 1 3 369.579 0.199 20 0 FCADHO CN1CCC(NC(=S)NC[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000920309179 667234441 /nfs/dbraw/zinc/23/44/41/667234441.db2.gz AIHWFOPWEDRQHT-INIZCTEOSA-N 1 3 369.579 0.199 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)CC[N@@H+]1C ZINC000999895522 667252620 /nfs/dbraw/zinc/25/26/20/667252620.db2.gz DUNQELNZAWVGAZ-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)CC[N@H+]1C ZINC000999895522 667252625 /nfs/dbraw/zinc/25/26/25/667252625.db2.gz DUNQELNZAWVGAZ-JKSUJKDBSA-N 1 3 350.507 0.776 20 0 FCADHO CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679184 667259976 /nfs/dbraw/zinc/25/99/76/667259976.db2.gz LJXIAEFPLLPVOZ-OLMNPRSZSA-N 1 3 353.507 0.816 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001001889672 667513850 /nfs/dbraw/zinc/51/38/50/667513850.db2.gz QYAVVQQVGWNEEW-OIISXLGYSA-N 1 3 350.507 0.774 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001001889672 667513852 /nfs/dbraw/zinc/51/38/52/667513852.db2.gz QYAVVQQVGWNEEW-OIISXLGYSA-N 1 3 350.507 0.774 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 ZINC000922983513 667797308 /nfs/dbraw/zinc/79/73/08/667797308.db2.gz KIODUMVGPPWYOU-UHFFFAOYSA-N 1 3 351.495 0.596 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476910 667850822 /nfs/dbraw/zinc/85/08/22/667850822.db2.gz LDJIZRYHSLFKRZ-INIZCTEOSA-N 1 3 369.579 0.735 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006183551 667856849 /nfs/dbraw/zinc/85/68/49/667856849.db2.gz YVAGPXDHNYXVCV-JJRVBVJISA-N 1 3 350.507 0.774 20 0 FCADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001006183551 667856853 /nfs/dbraw/zinc/85/68/53/667856853.db2.gz YVAGPXDHNYXVCV-JJRVBVJISA-N 1 3 350.507 0.774 20 0 FCADHO COCc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000773663570 668102233 /nfs/dbraw/zinc/10/22/33/668102233.db2.gz YGALZQXTELNMNG-UHFFFAOYSA-N 1 3 350.463 0.723 20 0 FCADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843364948 670808006 /nfs/dbraw/zinc/80/80/06/670808006.db2.gz WZKPHDGTSUUJIV-STQMWFEESA-N 1 3 351.451 0.332 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000968010510 675177734 /nfs/dbraw/zinc/17/77/34/675177734.db2.gz RCXZVHRRPORBIC-DJIMGWMZSA-N 1 3 352.523 0.972 20 0 FCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000968010510 675177736 /nfs/dbraw/zinc/17/77/36/675177736.db2.gz RCXZVHRRPORBIC-DJIMGWMZSA-N 1 3 352.523 0.972 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000849051252 671316468 /nfs/dbraw/zinc/31/64/68/671316468.db2.gz CSLIROYUTHFPTP-QWHCGFSZSA-N 1 3 351.417 0.848 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)c(C)c1 ZINC000849109141 671318178 /nfs/dbraw/zinc/31/81/78/671318178.db2.gz WFHFHUAUYJKLKG-AWEZNQCLSA-N 1 3 353.492 0.741 20 0 FCADHO CN(C[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)S(C)(=O)=O ZINC000903758442 675968915 /nfs/dbraw/zinc/96/89/15/675968915.db2.gz JYTYXKUZYNPKNG-JKSUJKDBSA-N 1 3 359.536 0.749 20 0 FCADHO C[C@H]1CN(CC[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)C[C@H](C)O1 ZINC000880253443 673183596 /nfs/dbraw/zinc/18/35/96/673183596.db2.gz PSYAJZJLKKYOCF-IRXDYDNUSA-N 1 3 352.523 0.901 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)N1CCC(C)CC1 ZINC000884502686 673457616 /nfs/dbraw/zinc/45/76/16/673457616.db2.gz QBGOYIVUDPCKDC-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884577900 673463608 /nfs/dbraw/zinc/46/36/08/673463608.db2.gz OGHOASIVFYVTME-APWZRJJASA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000884612543 673466047 /nfs/dbraw/zinc/46/60/47/673466047.db2.gz NWDCEPATFIQTME-ZWKOTPCHSA-N 1 3 368.547 0.532 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000884612842 673466052 /nfs/dbraw/zinc/46/60/52/673466052.db2.gz VVBDJWNQEYEXEV-LOUJCGABSA-N 1 3 354.520 0.187 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884921731 673491467 /nfs/dbraw/zinc/49/14/67/673491467.db2.gz DQHHCXFSDQLEON-SHTZXODSSA-N 1 3 350.463 0.804 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885206975 673508242 /nfs/dbraw/zinc/50/82/42/673508242.db2.gz TVFDQERMDYDDLX-UHFFFAOYSA-N 1 3 352.454 0.960 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885285337 673512174 /nfs/dbraw/zinc/51/21/74/673512174.db2.gz OYIHRMGKHHZRDU-ZDUSSCGKSA-N 1 3 360.449 0.680 20 0 FCADHO C[C@H]1C[N@H+](CCCN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741186 673762377 /nfs/dbraw/zinc/76/23/77/673762377.db2.gz GJABVUTYYNQTNS-HOTGVXAUSA-N 1 3 352.479 0.894 20 0 FCADHO C[C@H]1C[N@@H+](CCCN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CCCO1 ZINC000924741186 673762379 /nfs/dbraw/zinc/76/23/79/673762379.db2.gz GJABVUTYYNQTNS-HOTGVXAUSA-N 1 3 352.479 0.894 20 0 FCADHO CN1CCN(C(C)(C)CN2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000925279210 673785795 /nfs/dbraw/zinc/78/57/95/673785795.db2.gz LZVQDSDEIDATSS-OAHLLOKOSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCN3CCCC3=O)C2)CC[N@@H+]1C ZINC001007377602 675288597 /nfs/dbraw/zinc/28/85/97/675288597.db2.gz WXWOKUXXHGRQLC-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCN3CCCC3=O)C2)CC[N@H+]1C ZINC001007377602 675288599 /nfs/dbraw/zinc/28/85/99/675288599.db2.gz WXWOKUXXHGRQLC-IXDOHACOSA-N 1 3 350.507 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC001011211585 675377224 /nfs/dbraw/zinc/37/72/24/675377224.db2.gz BFYFMULXVYTWPX-GVDBMIGSSA-N 1 3 350.507 0.728 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC001011211585 675377228 /nfs/dbraw/zinc/37/72/28/675377228.db2.gz BFYFMULXVYTWPX-GVDBMIGSSA-N 1 3 350.507 0.728 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001045443528 675653819 /nfs/dbraw/zinc/65/38/19/675653819.db2.gz QNBICQQXGSUWEU-HUUCEWRRSA-N 1 3 351.495 0.323 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001045443528 675653820 /nfs/dbraw/zinc/65/38/20/675653820.db2.gz QNBICQQXGSUWEU-HUUCEWRRSA-N 1 3 351.495 0.323 20 0 FCADHO C[C@H](NC(=O)C[NH3+])c1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001212019402 1192334763 /nfs/dbraw/zinc/33/47/63/1192334763.db2.gz OIFVWXPEDMBJCZ-ZDUSSCGKSA-N 1 3 358.446 0.620 20 0 FCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891354247 1170008443 /nfs/dbraw/zinc/00/84/43/1170008443.db2.gz NBUJQQPZHHIPKA-OALUTQOASA-N 1 3 357.502 0.950 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@@H+]1C ZINC001021803133 1170078604 /nfs/dbraw/zinc/07/86/04/1170078604.db2.gz RZFCXQMPXINBQY-YYIAUSFCSA-N 1 3 362.518 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)CC[N@H+]1C ZINC001021803133 1170078609 /nfs/dbraw/zinc/07/86/09/1170078609.db2.gz RZFCXQMPXINBQY-YYIAUSFCSA-N 1 3 362.518 0.870 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211525 1170753452 /nfs/dbraw/zinc/75/34/52/1170753452.db2.gz SCQXFXJXDZLLAO-XYJFISCASA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211525 1170753458 /nfs/dbraw/zinc/75/34/58/1170753458.db2.gz SCQXFXJXDZLLAO-XYJFISCASA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N(C)C ZINC001022217491 1170765345 /nfs/dbraw/zinc/76/53/45/1170765345.db2.gz OECIKRULELPGBF-BBWFWOEESA-N 1 3 362.518 0.728 20 0 FCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CN1C1CC1 ZINC000891662501 1170801833 /nfs/dbraw/zinc/80/18/33/1170801833.db2.gz YCNWPNVGMDQGGF-IPQWEPCOSA-N 1 3 363.462 0.188 20 0 FCADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001691382470 1171244475 /nfs/dbraw/zinc/24/44/75/1171244475.db2.gz VNRSBSRBEMQNNF-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022717963 1171806774 /nfs/dbraw/zinc/80/67/74/1171806774.db2.gz PSHBJUSLAZTMKE-IXDOHACOSA-N 1 3 360.502 0.626 20 0 FCADHO O=C(N1CCO[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249426 1172022200 /nfs/dbraw/zinc/02/22/00/1172022200.db2.gz DUYXCYGBVCNRNV-FGTMMUONSA-N 1 3 363.502 0.811 20 0 FCADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001022843437 1172050897 /nfs/dbraw/zinc/05/08/97/1172050897.db2.gz KTJNLYGHFKBMBG-DOTOQJQBSA-N 1 3 359.474 0.888 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897547732 1192784642 /nfs/dbraw/zinc/78/46/42/1192784642.db2.gz FPLLRWIYWNBJJB-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897547732 1192784647 /nfs/dbraw/zinc/78/46/47/1192784647.db2.gz FPLLRWIYWNBJJB-SJORKVTESA-N 1 3 365.522 0.666 20 0 FCADHO CN(C(=O)CC(O)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000537227323 1192788662 /nfs/dbraw/zinc/78/86/62/1192788662.db2.gz AEPYMXAGQCXCOF-HOTGVXAUSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C(=O)CC(O)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000537227323 1192788665 /nfs/dbraw/zinc/78/86/65/1192788665.db2.gz AEPYMXAGQCXCOF-HOTGVXAUSA-N 1 3 368.522 0.233 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892327417 1178874881 /nfs/dbraw/zinc/87/48/81/1178874881.db2.gz KIJBZRIUAFSICD-UHFFFAOYSA-N 1 3 361.490 0.494 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000892650823 1182003618 /nfs/dbraw/zinc/00/36/18/1182003618.db2.gz QZBWYAUQXIGXDX-ZACQAIPSSA-N 1 3 365.522 0.807 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000892650823 1182003623 /nfs/dbraw/zinc/00/36/23/1182003623.db2.gz QZBWYAUQXIGXDX-ZACQAIPSSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104676289 1182358481 /nfs/dbraw/zinc/35/84/81/1182358481.db2.gz DBQSCJHLMJTSET-IXDOHACOSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104682587 1182366135 /nfs/dbraw/zinc/36/61/35/1182366135.db2.gz WXVDTVYKYPQAHK-ZIAGYGMSSA-N 1 3 369.510 0.233 20 0 FCADHO COCCOC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728911 1182400822 /nfs/dbraw/zinc/40/08/22/1182400822.db2.gz HIYJGOJWUSCZOL-BFYDXBDKSA-N 1 3 368.478 0.050 20 0 FCADHO CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729199 1182401657 /nfs/dbraw/zinc/40/16/57/1182401657.db2.gz QWZJXAJFUZEGBC-GDBMZVCRSA-N 1 3 365.478 0.179 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765439 1182485386 /nfs/dbraw/zinc/48/53/86/1182485386.db2.gz CALVRSMGYSFVDK-IAGOWNOFSA-N 1 3 367.538 0.470 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001104812170 1182932248 /nfs/dbraw/zinc/93/22/48/1182932248.db2.gz MRICFHCSGCNCKK-KURKYZTESA-N 1 3 365.522 0.660 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NCC)C1 ZINC001104937536 1183011086 /nfs/dbraw/zinc/01/10/86/1183011086.db2.gz CYVSVGJVECJRJZ-HUUCEWRRSA-N 1 3 369.510 0.248 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974574576 1183343956 /nfs/dbraw/zinc/34/39/56/1183343956.db2.gz ZCQSGSPDZYJREQ-GDBMZVCRSA-N 1 3 357.458 0.640 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578243 1183349647 /nfs/dbraw/zinc/34/96/47/1183349647.db2.gz XRSOTTVDHMGNRL-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC000974578243 1183349653 /nfs/dbraw/zinc/34/96/53/1183349653.db2.gz XRSOTTVDHMGNRL-JFIYKMOQSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000975222834 1183765070 /nfs/dbraw/zinc/76/50/70/1183765070.db2.gz LUCSEJMREIQKEV-BRWVUGGUSA-N 1 3 360.502 0.483 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765690 1185705509 /nfs/dbraw/zinc/70/55/09/1185705509.db2.gz RLVUBLJRBYMCPI-BQFCYCMXSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1)C1CCC1 ZINC000975765690 1185705519 /nfs/dbraw/zinc/70/55/19/1185705519.db2.gz RLVUBLJRBYMCPI-BQFCYCMXSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760538 1185731604 /nfs/dbraw/zinc/73/16/04/1185731604.db2.gz KMHPGNHRERHXJV-ULQDDVLXSA-N 1 3 362.518 0.872 20 0 FCADHO CN(C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)CCC1 ZINC000975760538 1185731618 /nfs/dbraw/zinc/73/16/18/1185731618.db2.gz KMHPGNHRERHXJV-ULQDDVLXSA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503673 1185963102 /nfs/dbraw/zinc/96/31/02/1185963102.db2.gz AOLMNJKSSNJUSI-ZXLDYLNASA-N 1 3 362.518 0.772 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC000976503673 1185963114 /nfs/dbraw/zinc/96/31/14/1185963114.db2.gz AOLMNJKSSNJUSI-ZXLDYLNASA-N 1 3 362.518 0.772 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112529712 1186089461 /nfs/dbraw/zinc/08/94/61/1186089461.db2.gz LRQYNFXSLCWYQP-FTRWYGJKSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001112529734 1186090411 /nfs/dbraw/zinc/09/04/11/1186090411.db2.gz MMIMYARMFHMKRQ-FTRWYGJKSA-N 1 3 362.518 0.825 20 0 FCADHO CN[C@@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000515300610 1188407351 /nfs/dbraw/zinc/40/73/51/1188407351.db2.gz MFUKVHZSIGYEKQ-GOSISDBHSA-N 1 3 370.501 0.790 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896748648 1190121356 /nfs/dbraw/zinc/12/13/56/1190121356.db2.gz KPDQJDYWUZNGGC-BZSNNMDCSA-N 1 3 366.506 0.480 20 0 FCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896748648 1190121360 /nfs/dbraw/zinc/12/13/60/1190121360.db2.gz KPDQJDYWUZNGGC-BZSNNMDCSA-N 1 3 366.506 0.480 20 0 FCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026130 1190260920 /nfs/dbraw/zinc/26/09/20/1190260920.db2.gz UCYLMUPTISQHAB-ZACQAIPSSA-N 1 3 362.518 0.872 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121370 1190616516 /nfs/dbraw/zinc/61/65/16/1190616516.db2.gz CCZFVFWIIOXQFQ-XHSDSOJGSA-N 1 3 359.474 0.649 20 0 FCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121370 1190616526 /nfs/dbraw/zinc/61/65/26/1190616526.db2.gz CCZFVFWIIOXQFQ-XHSDSOJGSA-N 1 3 359.474 0.649 20 0 FCADHO C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1)C1CC1 ZINC000986260576 1190936312 /nfs/dbraw/zinc/93/63/12/1190936312.db2.gz TVSXPXFWBVYSQU-AOIWGVFYSA-N 1 3 362.518 0.729 20 0 FCADHO COCCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532618291 1191200403 /nfs/dbraw/zinc/20/04/03/1191200403.db2.gz MRXRLQODQPPAQX-QZTJIDSGSA-N 1 3 368.522 0.774 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC1CC2(C1)CCC[NH2+]C2 ZINC001218254266 1224150155 /nfs/dbraw/zinc/15/01/55/1224150155.db2.gz XGQZKHJBLRREBJ-UHFFFAOYSA-N 1 3 364.446 0.672 20 0 FCADHO COCCCN1C[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC001218208222 1224147245 /nfs/dbraw/zinc/14/72/45/1224147245.db2.gz VGXNKYANQQSQMS-ZWKOTPCHSA-N 1 3 362.474 0.856 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)CC1 ZINC001083469611 1193865640 /nfs/dbraw/zinc/86/56/40/1193865640.db2.gz AFHIAXRKAXSXLJ-YRXWBPOGSA-N 1 3 365.518 0.695 20 0 FCADHO Cc1ccn2cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc2c1 ZINC000551638079 1193866062 /nfs/dbraw/zinc/86/60/62/1193866062.db2.gz CQPGRMTXQLDOTE-UHFFFAOYSA-N 1 3 374.489 0.211 20 0 FCADHO CCOC(=O)c1cnn(-c2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccn2)c1 ZINC001218622482 1224183001 /nfs/dbraw/zinc/18/30/01/1224183001.db2.gz XPIVGAWOTPRJSE-CQSZACIVSA-N 1 3 370.413 0.192 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1CC1CC1 ZINC001218627623 1224185851 /nfs/dbraw/zinc/18/58/51/1224185851.db2.gz GUJRMJTZVYQRAS-GJZGRUSLSA-N 1 3 362.478 0.679 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1c[nH]c2cccnc12 ZINC001218640953 1224188093 /nfs/dbraw/zinc/18/80/93/1224188093.db2.gz RFNVLVGUVCQDBG-WFASDCNBSA-N 1 3 358.446 0.949 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842229316 1194108942 /nfs/dbraw/zinc/10/89/42/1194108942.db2.gz FKXPOVUHZPLQBC-MSOLQXFVSA-N 1 3 358.486 0.889 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691627270 1194325230 /nfs/dbraw/zinc/32/52/30/1194325230.db2.gz ZQFYPQZCAUMTAG-PMUMKWKESA-N 1 3 356.486 0.819 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076418981 1194467359 /nfs/dbraw/zinc/46/73/59/1194467359.db2.gz ZLHKFJZFHXYDSG-OKZBNKHCSA-N 1 3 362.518 0.918 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462366 1194507845 /nfs/dbraw/zinc/50/78/45/1194507845.db2.gz RSAVGPAAHLTQDE-OKZBNKHCSA-N 1 3 360.506 0.769 20 0 FCADHO Cc1nc(C)n(CCN2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462366 1194507853 /nfs/dbraw/zinc/50/78/53/1194507853.db2.gz RSAVGPAAHLTQDE-OKZBNKHCSA-N 1 3 360.506 0.769 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ncccc1CCO ZINC001218792830 1224222628 /nfs/dbraw/zinc/22/26/28/1224222628.db2.gz PPGKTMXBBDUPLM-GJZGRUSLSA-N 1 3 363.462 0.002 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CCN4)cc2)CC1 ZINC001218845631 1224239347 /nfs/dbraw/zinc/23/93/47/1224239347.db2.gz FWUWEOOQDSPING-XLIONFOSSA-N 1 3 357.502 0.714 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)cc2)CC1 ZINC001218845862 1224239619 /nfs/dbraw/zinc/23/96/19/1224239619.db2.gz LFXHBMQTCFJFML-YTQUADARSA-N 1 3 357.502 0.713 20 0 FCADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1O ZINC001076812656 1195033972 /nfs/dbraw/zinc/03/39/72/1195033972.db2.gz OXLDQJNEIPNCFG-CEXWTWQISA-N 1 3 359.470 0.515 20 0 FCADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1O ZINC001076812656 1195033975 /nfs/dbraw/zinc/03/39/75/1195033975.db2.gz OXLDQJNEIPNCFG-CEXWTWQISA-N 1 3 359.470 0.515 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563446 1195223005 /nfs/dbraw/zinc/22/30/05/1195223005.db2.gz QDDAQLXBMWSHJI-KSZLIROESA-N 1 3 365.518 0.983 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127873 1195242874 /nfs/dbraw/zinc/24/28/74/1195242874.db2.gz NBPNOEBZYRCDBO-IPMKNSEASA-N 1 3 367.534 0.942 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@H]2O)C1 ZINC001077127873 1195242885 /nfs/dbraw/zinc/24/28/85/1195242885.db2.gz NBPNOEBZYRCDBO-IPMKNSEASA-N 1 3 367.534 0.942 20 0 FCADHO CC[C@]1(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2)CCC(=O)NC1=O ZINC001218950725 1224270827 /nfs/dbraw/zinc/27/08/27/1224270827.db2.gz XRLKKGRFPGANFE-MGPUTAFESA-N 1 3 370.453 0.519 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)N(C(C)=O)CC2 ZINC001218988335 1224279913 /nfs/dbraw/zinc/27/99/13/1224279913.db2.gz XWEQJPCDUHCDLF-AUUYWEPGSA-N 1 3 358.442 0.742 20 0 FCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000911244202 1195922074 /nfs/dbraw/zinc/92/20/74/1195922074.db2.gz VLJAUNGVQOHJNL-KRWDZBQOSA-N 1 3 374.485 0.209 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911270548 1195925815 /nfs/dbraw/zinc/92/58/15/1195925815.db2.gz YMTMGZAVCZYVCF-IAGOWNOFSA-N 1 3 367.538 0.025 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083654906 1196351097 /nfs/dbraw/zinc/35/10/97/1196351097.db2.gz LVUJLMRTAHRFEP-PBIMCDDKSA-N 1 3 363.502 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001083654906 1196351102 /nfs/dbraw/zinc/35/11/02/1196351102.db2.gz LVUJLMRTAHRFEP-PBIMCDDKSA-N 1 3 363.502 0.591 20 0 FCADHO NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001219087372 1224346617 /nfs/dbraw/zinc/34/66/17/1224346617.db2.gz DRTRUFGDTCGBPJ-KRWDZBQOSA-N 1 3 359.474 0.654 20 0 FCADHO NC(=O)C1CCN(c2ccccc2NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001219087906 1224349193 /nfs/dbraw/zinc/34/91/93/1224349193.db2.gz KESGXWHKFWOIPW-CQSZACIVSA-N 1 3 357.458 0.136 20 0 FCADHO COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccc1N1CCOCC1 ZINC001219167687 1224372726 /nfs/dbraw/zinc/37/27/26/1224372726.db2.gz GPUUYIFTPGBYLO-AUUYWEPGSA-N 1 3 360.458 0.669 20 0 FCADHO C[C@@]12CN(C(=O)Cc3c[nH]cn3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993156967 1197899654 /nfs/dbraw/zinc/89/96/54/1197899654.db2.gz PNCXDNZEQPHGJP-KDOFPFPSSA-N 1 3 357.458 0.355 20 0 FCADHO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c2c1OCCO2 ZINC001219372909 1224445854 /nfs/dbraw/zinc/44/58/54/1224445854.db2.gz JPVSDYJIKDJFQP-LBPRGKRZSA-N 1 3 361.398 0.382 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC[C@@H]2C1 ZINC001169133544 1199048621 /nfs/dbraw/zinc/04/86/21/1199048621.db2.gz HIMOXXBIVNHNHJ-ZSXDVEMLSA-N 1 3 364.534 0.723 20 0 FCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC[C@@H]2C1 ZINC001169133544 1199048629 /nfs/dbraw/zinc/04/86/29/1199048629.db2.gz HIMOXXBIVNHNHJ-ZSXDVEMLSA-N 1 3 364.534 0.723 20 0 FCADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538723 1200370713 /nfs/dbraw/zinc/37/07/13/1200370713.db2.gz PLFYVNFEMCOTLB-IBTBTWTJSA-N 1 3 363.502 0.998 20 0 FCADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538723 1200370722 /nfs/dbraw/zinc/37/07/22/1200370722.db2.gz PLFYVNFEMCOTLB-IBTBTWTJSA-N 1 3 363.502 0.998 20 0 FCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812459 1224630577 /nfs/dbraw/zinc/63/05/77/1224630577.db2.gz BRRVSXCXHUSVSU-FCEWJHQRSA-N 1 3 361.442 0.190 20 0 FCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219849978 1224654018 /nfs/dbraw/zinc/65/40/18/1224654018.db2.gz KONLEHYDNJAIPL-OKZBNKHCSA-N 1 3 372.469 0.418 20 0 FCADHO C[C@@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000793628562 1201248592 /nfs/dbraw/zinc/24/85/92/1201248592.db2.gz FTQCKGSTYPMDNT-OAHLLOKOSA-N 1 3 364.490 0.308 20 0 FCADHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892403 1201416395 /nfs/dbraw/zinc/41/63/95/1201416395.db2.gz VIOZZDLCMNJQRC-IKGGRYGDSA-N 1 3 364.494 0.385 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894370 1201428319 /nfs/dbraw/zinc/42/83/19/1201428319.db2.gz CULRBWDSDJUMMQ-SJORKVTESA-N 1 3 364.494 0.531 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919037 1201440597 /nfs/dbraw/zinc/44/05/97/1201440597.db2.gz OSVUCZMHUHKTRU-XHSDSOJGSA-N 1 3 366.510 0.511 20 0 FCADHO CCOCCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925273 1201444297 /nfs/dbraw/zinc/44/42/97/1201444297.db2.gz XNXBRGAJUKKIMW-CVEARBPZSA-N 1 3 362.478 0.285 20 0 FCADHO CC(C)CCOCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994611 1201464907 /nfs/dbraw/zinc/46/49/07/1201464907.db2.gz XPZZEBTUJVCSCC-SJORKVTESA-N 1 3 366.510 0.634 20 0 FCADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009208 1201477583 /nfs/dbraw/zinc/47/75/83/1201477583.db2.gz BSQMAFWDCOTBFE-IKGGRYGDSA-N 1 3 366.510 0.777 20 0 FCADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047703 1201486604 /nfs/dbraw/zinc/48/66/04/1201486604.db2.gz OJCMXUVPSYMQLT-SJORKVTESA-N 1 3 366.510 0.778 20 0 FCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130096198 1201499311 /nfs/dbraw/zinc/49/93/11/1201499311.db2.gz ATJZRUGWPBORNY-SJORKVTESA-N 1 3 366.510 0.777 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130096198 1201499315 /nfs/dbraw/zinc/49/93/15/1201499315.db2.gz ATJZRUGWPBORNY-SJORKVTESA-N 1 3 366.510 0.777 20 0 FCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130136989 1201514653 /nfs/dbraw/zinc/51/46/53/1201514653.db2.gz CRPNDHSUETWDIF-SJORKVTESA-N 1 3 364.494 0.386 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[n-]1 ZINC001130237969 1201559955 /nfs/dbraw/zinc/55/99/55/1201559955.db2.gz MVCJNWRNBDOPOV-KKUMJFAQSA-N 1 3 364.494 0.633 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[n-]1 ZINC001130237969 1201559960 /nfs/dbraw/zinc/55/99/60/1201559960.db2.gz MVCJNWRNBDOPOV-KKUMJFAQSA-N 1 3 364.494 0.633 20 0 FCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930744 1224686735 /nfs/dbraw/zinc/68/67/35/1224686735.db2.gz GNSMRXSDMODFIT-GUYCJALGSA-N 1 3 361.490 0.654 20 0 FCADHO COC(=O)[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(OC)cc1 ZINC001219974617 1224709528 /nfs/dbraw/zinc/70/95/28/1224709528.db2.gz BFPYUQNIHLOHAB-HZPDHXFCSA-N 1 3 361.442 0.900 20 0 FCADHO COC(=O)[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(OC)cc1 ZINC001219974617 1224709532 /nfs/dbraw/zinc/70/95/32/1224709532.db2.gz BFPYUQNIHLOHAB-HZPDHXFCSA-N 1 3 361.442 0.900 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672136 1202751707 /nfs/dbraw/zinc/75/17/07/1202751707.db2.gz IUIXHXQRWKFPTB-XYJFISCASA-N 1 3 363.506 0.825 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1 ZINC001130733927 1202768248 /nfs/dbraw/zinc/76/82/48/1202768248.db2.gz AJCMYXFPJTUONW-JQHSSLGASA-N 1 3 363.506 0.561 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001130943951 1202826854 /nfs/dbraw/zinc/82/68/54/1202826854.db2.gz PXDKQOZMXNNSHP-BRWVUGGUSA-N 1 3 363.506 0.825 20 0 FCADHO CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001131079015 1202859767 /nfs/dbraw/zinc/85/97/67/1202859767.db2.gz AFJLLIJWIMERAW-HZPDHXFCSA-N 1 3 360.462 0.697 20 0 FCADHO C[NH2+][C@H](C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@@H](C)O ZINC001220358778 1224842288 /nfs/dbraw/zinc/84/22/88/1224842288.db2.gz XOOCECXFVPLRDD-XBVQOTNRSA-N 1 3 363.458 0.531 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087059497 1204944014 /nfs/dbraw/zinc/94/40/14/1204944014.db2.gz IZFFFLJOXCXZPZ-OWCLPIDISA-N 1 3 366.506 0.202 20 0 FCADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087071961 1204960987 /nfs/dbraw/zinc/96/09/87/1204960987.db2.gz MBYOFDHSIFHMCB-BZUAXINKSA-N 1 3 366.506 0.202 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001087080884 1204992578 /nfs/dbraw/zinc/99/25/78/1204992578.db2.gz KMIKDIBJQZJDPC-KBAYOESNSA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cc(C)n(C)n1 ZINC001087100734 1204997082 /nfs/dbraw/zinc/99/70/82/1204997082.db2.gz BBXBVEDFIZQHQA-LZLYRXPVSA-N 1 3 363.506 0.633 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cc(C)n(C)n1 ZINC001087100734 1204997090 /nfs/dbraw/zinc/99/70/90/1204997090.db2.gz BBXBVEDFIZQHQA-LZLYRXPVSA-N 1 3 363.506 0.633 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnc(C)cn1 ZINC001087100732 1204998250 /nfs/dbraw/zinc/99/82/50/1204998250.db2.gz BBWBMZBRQLAAMV-LZLYRXPVSA-N 1 3 361.490 0.690 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnc(C)cn1 ZINC001087100732 1204998261 /nfs/dbraw/zinc/99/82/61/1204998261.db2.gz BBWBMZBRQLAAMV-LZLYRXPVSA-N 1 3 361.490 0.690 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091783324 1205027459 /nfs/dbraw/zinc/02/74/59/1205027459.db2.gz YZKMFZGFJRFGPZ-CLCXKQKWSA-N 1 3 364.490 0.256 20 0 FCADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1)N(C)C ZINC001091783324 1205027460 /nfs/dbraw/zinc/02/74/60/1205027460.db2.gz YZKMFZGFJRFGPZ-CLCXKQKWSA-N 1 3 364.490 0.256 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014617 1205113358 /nfs/dbraw/zinc/11/33/58/1205113358.db2.gz ALUXBUPKSAMSKN-QINHECLXSA-N 1 3 362.518 0.777 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@]3(C)C2)C1 ZINC001092014617 1205113361 /nfs/dbraw/zinc/11/33/61/1205113361.db2.gz ALUXBUPKSAMSKN-QINHECLXSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092049375 1205140250 /nfs/dbraw/zinc/14/02/50/1205140250.db2.gz BJNUDNDWJBWTBL-KHYOSLBOSA-N 1 3 359.474 0.649 20 0 FCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092049375 1205140255 /nfs/dbraw/zinc/14/02/55/1205140255.db2.gz BJNUDNDWJBWTBL-KHYOSLBOSA-N 1 3 359.474 0.649 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001092611479 1205324332 /nfs/dbraw/zinc/32/43/32/1205324332.db2.gz XTGVPZWUQYAEJL-KYJSFNMBSA-N 1 3 362.518 0.633 20 0 FCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615818 1205329282 /nfs/dbraw/zinc/32/92/82/1205329282.db2.gz QQQCVENJACYVLM-FMKPAKJESA-N 1 3 364.494 0.006 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193820 1206053005 /nfs/dbraw/zinc/05/30/05/1206053005.db2.gz MQTVGIDUZBJGMC-KZNAEPCWSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193820 1206053012 /nfs/dbraw/zinc/05/30/12/1206053012.db2.gz MQTVGIDUZBJGMC-KZNAEPCWSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1CNCc1nncn1C ZINC001093942125 1206155799 /nfs/dbraw/zinc/15/57/99/1206155799.db2.gz RFEQRWHXDCWHKO-QGPMSJSTSA-N 1 3 360.506 0.874 20 0 FCADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220565148 1224934860 /nfs/dbraw/zinc/93/48/60/1224934860.db2.gz KFDYJODGFCZIRJ-CVEARBPZSA-N 1 3 360.458 0.546 20 0 FCADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220565148 1224934871 /nfs/dbraw/zinc/93/48/71/1224934871.db2.gz KFDYJODGFCZIRJ-CVEARBPZSA-N 1 3 360.458 0.546 20 0 FCADHO C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCC2)CC3)CC1 ZINC001094503278 1206234217 /nfs/dbraw/zinc/23/42/17/1206234217.db2.gz FHDMHYJSNUZNOH-YLJYHZDGSA-N 1 3 362.518 0.921 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957977 1207405680 /nfs/dbraw/zinc/40/56/80/1207405680.db2.gz ATQSWODIIJHLME-BZZMCLGOSA-N 1 3 366.506 0.012 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957977 1207405683 /nfs/dbraw/zinc/40/56/83/1207405683.db2.gz ATQSWODIIJHLME-BZZMCLGOSA-N 1 3 366.506 0.012 20 0 FCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)CC3)CC2 ZINC001273589475 1207623903 /nfs/dbraw/zinc/62/39/03/1207623903.db2.gz KRWWYBVYWYTWAN-UHFFFAOYSA-N 1 3 362.518 0.875 20 0 FCADHO O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220736209 1225044736 /nfs/dbraw/zinc/04/47/36/1225044736.db2.gz DTMGFHMDVIPTKY-MSOLQXFVSA-N 1 3 358.486 0.882 20 0 FCADHO O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220736209 1225044742 /nfs/dbraw/zinc/04/47/42/1225044742.db2.gz DTMGFHMDVIPTKY-MSOLQXFVSA-N 1 3 358.486 0.882 20 0 FCADHO O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220736211 1225045675 /nfs/dbraw/zinc/04/56/75/1225045675.db2.gz DTMGFHMDVIPTKY-ROUUACIJSA-N 1 3 358.486 0.882 20 0 FCADHO O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220736211 1225045683 /nfs/dbraw/zinc/04/56/83/1225045683.db2.gz DTMGFHMDVIPTKY-ROUUACIJSA-N 1 3 358.486 0.882 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489207278 1208671253 /nfs/dbraw/zinc/67/12/53/1208671253.db2.gz SWRAPAPXDQSLHB-CVEARBPZSA-N 1 3 351.495 0.134 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489207278 1208671257 /nfs/dbraw/zinc/67/12/57/1208671257.db2.gz SWRAPAPXDQSLHB-CVEARBPZSA-N 1 3 351.495 0.134 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OC ZINC001489534516 1208895924 /nfs/dbraw/zinc/89/59/24/1208895924.db2.gz DAXKQEVYUIWZPI-IAGOWNOFSA-N 1 3 368.522 0.546 20 0 FCADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2O)CCC1 ZINC001489589441 1209008940 /nfs/dbraw/zinc/00/89/40/1209008940.db2.gz GWJLWXDSVDIVAU-CVEARBPZSA-N 1 3 366.506 0.035 20 0 FCADHO CC1(C)OCc2cc(C[C@H](N)C(=O)NCCO[C@@H]3CC[NH2+]C3)ccc2O1 ZINC001220936250 1225148716 /nfs/dbraw/zinc/14/87/16/1225148716.db2.gz DOECZRXPFWQEMZ-CVEARBPZSA-N 1 3 363.458 0.696 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccn(-c2ccncc2)n1 ZINC001110796453 1209863998 /nfs/dbraw/zinc/86/39/98/1209863998.db2.gz MBOPLJOYLDWZSD-NXHRZFHOSA-N 1 3 371.441 0.611 20 0 FCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1ccn(-c2ccncc2)n1 ZINC001110796453 1209864000 /nfs/dbraw/zinc/86/40/00/1209864000.db2.gz MBOPLJOYLDWZSD-NXHRZFHOSA-N 1 3 371.441 0.611 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861573674 1209871698 /nfs/dbraw/zinc/87/16/98/1209871698.db2.gz JLXKVNKQAXUCCE-RCCFBDPRSA-N 1 3 366.506 0.650 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975941 1225169829 /nfs/dbraw/zinc/16/98/29/1225169829.db2.gz BRQZGVNVXUZSPC-QRVBRYPASA-N 1 3 361.486 0.706 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCOCc3ccccc3)C[C@@H]2O)C1 ZINC001220975941 1225169833 /nfs/dbraw/zinc/16/98/33/1225169833.db2.gz BRQZGVNVXUZSPC-QRVBRYPASA-N 1 3 361.486 0.706 20 0 FCADHO CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1)N(C)C ZINC000871461176 1210156498 /nfs/dbraw/zinc/15/64/98/1210156498.db2.gz GVFZFWXYYBDTNP-BBWFWOEESA-N 1 3 370.538 0.502 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875168484 1210346259 /nfs/dbraw/zinc/34/62/59/1210346259.db2.gz WOJXZNIVCCGGNR-INIZCTEOSA-N 1 3 367.538 0.071 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875168484 1210346263 /nfs/dbraw/zinc/34/62/63/1210346263.db2.gz WOJXZNIVCCGGNR-INIZCTEOSA-N 1 3 367.538 0.071 20 0 FCADHO CN1CCN(Cc2ccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)cc2)CC1 ZINC000879996635 1210509539 /nfs/dbraw/zinc/50/95/39/1210509539.db2.gz KIQVMGBQLVCIDV-IBGZPJMESA-N 1 3 360.502 0.621 20 0 FCADHO CO[C@@H]1COCC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000883249063 1210660016 /nfs/dbraw/zinc/66/00/16/1210660016.db2.gz RMOKHDABWQWZJG-QZTJIDSGSA-N 1 3 368.522 0.990 20 0 FCADHO O=C(CC[N@@H+]1CCNCCC12CCC2)N1CCN(c2ncccn2)CC1 ZINC000883458521 1210669222 /nfs/dbraw/zinc/66/92/22/1210669222.db2.gz MYTJNWUTVMPIGJ-UHFFFAOYSA-N 1 3 358.490 0.733 20 0 FCADHO O=C(CC[N@H+]1CCNCCC12CCC2)N1CCN(c2ncccn2)CC1 ZINC000883458521 1210669225 /nfs/dbraw/zinc/66/92/25/1210669225.db2.gz MYTJNWUTVMPIGJ-UHFFFAOYSA-N 1 3 358.490 0.733 20 0 FCADHO C[NH+](C)CCOCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883639182 1210677374 /nfs/dbraw/zinc/67/73/74/1210677374.db2.gz IIFKNCFYURGVRH-UHFFFAOYSA-N 1 3 369.510 0.080 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCNCCC34CCC4)C2)CC1 ZINC000883659810 1210682726 /nfs/dbraw/zinc/68/27/26/1210682726.db2.gz UCRRSQZXOMWSEG-QGZVFWFLSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH2+]CCOc1cccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000884210811 1210723513 /nfs/dbraw/zinc/72/35/13/1210723513.db2.gz KGFKCXWXOIJQIE-UHFFFAOYSA-N 1 3 374.485 0.665 20 0 FCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884509577 1210741823 /nfs/dbraw/zinc/74/18/23/1210741823.db2.gz JWDGSFIYRWEZQA-JQFCIGGWSA-N 1 3 357.458 0.296 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)Cc2ccccc2C1 ZINC000884566208 1210752696 /nfs/dbraw/zinc/75/26/96/1210752696.db2.gz DGISGHAVZYYZSF-FXAWDEMLSA-N 1 3 370.497 0.270 20 0 FCADHO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884576919 1210755552 /nfs/dbraw/zinc/75/55/52/1210755552.db2.gz TUFQNBHVIRSFCP-MAUKXSAKSA-N 1 3 358.486 0.665 20 0 FCADHO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000884576919 1210755554 /nfs/dbraw/zinc/75/55/54/1210755554.db2.gz TUFQNBHVIRSFCP-MAUKXSAKSA-N 1 3 358.486 0.665 20 0 FCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000884577365 1210755913 /nfs/dbraw/zinc/75/59/13/1210755913.db2.gz DHKIRHMFCVZPMB-QAPCUYQASA-N 1 3 358.486 0.808 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884616985 1210763741 /nfs/dbraw/zinc/76/37/41/1210763741.db2.gz FULRSSNUCJSOGK-JKSUJKDBSA-N 1 3 366.506 0.252 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631626 1210767627 /nfs/dbraw/zinc/76/76/27/1210767627.db2.gz QOIZAUDDAOCCEP-MSOLQXFVSA-N 1 3 356.470 0.418 20 0 FCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000884631626 1210767634 /nfs/dbraw/zinc/76/76/34/1210767634.db2.gz QOIZAUDDAOCCEP-MSOLQXFVSA-N 1 3 356.470 0.418 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884656321 1210773167 /nfs/dbraw/zinc/77/31/67/1210773167.db2.gz BZCRKVXNUQMEID-CVEARBPZSA-N 1 3 366.506 0.345 20 0 FCADHO O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221151793 1225241486 /nfs/dbraw/zinc/24/14/86/1225241486.db2.gz MHLJHUOZJVCEIJ-OXQOHEQNSA-N 1 3 371.485 0.804 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968808 1210805696 /nfs/dbraw/zinc/80/56/96/1210805696.db2.gz VODRBBPBOQECAE-CVEARBPZSA-N 1 3 368.522 0.450 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884968814 1210805765 /nfs/dbraw/zinc/80/57/65/1210805765.db2.gz VODRBBPBOQECAE-HZPDHXFCSA-N 1 3 368.522 0.450 20 0 FCADHO O=C(NC[C@H]1Cc2ccccc2CN1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000885167992 1210814620 /nfs/dbraw/zinc/81/46/20/1210814620.db2.gz RZURUCXOPVBAQO-MOPGFXCFSA-N 1 3 370.497 0.904 20 0 FCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000885290557 1210817596 /nfs/dbraw/zinc/81/75/96/1210817596.db2.gz DWZUTEDZGPXCPT-GJZGRUSLSA-N 1 3 372.460 0.824 20 0 FCADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831027 1210987043 /nfs/dbraw/zinc/98/70/43/1210987043.db2.gz PLFYVNFEMCOTLB-COXLTSFISA-N 1 3 363.502 0.998 20 0 FCADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001110831027 1210987044 /nfs/dbraw/zinc/98/70/44/1210987044.db2.gz PLFYVNFEMCOTLB-COXLTSFISA-N 1 3 363.502 0.998 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143004 1211179178 /nfs/dbraw/zinc/17/91/78/1211179178.db2.gz QLKNPXQSKTYUNN-ICSRJNTNSA-N 1 3 364.534 0.585 20 0 FCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2=O)CC1 ZINC001275143004 1211179180 /nfs/dbraw/zinc/17/91/80/1211179180.db2.gz QLKNPXQSKTYUNN-ICSRJNTNSA-N 1 3 364.534 0.585 20 0 FCADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CN(C)CCN3C)C2)C1 ZINC001275176153 1211189694 /nfs/dbraw/zinc/18/96/94/1211189694.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 1 3 365.566 0.498 20 0 FCADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CN(C)CCN3C)C2)C1 ZINC001275176153 1211189698 /nfs/dbraw/zinc/18/96/98/1211189698.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 1 3 365.566 0.498 20 0 FCADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325814 1211215302 /nfs/dbraw/zinc/21/53/02/1211215302.db2.gz REVNJMKMANAWFH-QWFCFKBJSA-N 1 3 364.534 0.583 20 0 FCADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275325814 1211215306 /nfs/dbraw/zinc/21/53/06/1211215306.db2.gz REVNJMKMANAWFH-QWFCFKBJSA-N 1 3 364.534 0.583 20 0 FCADHO COc1ncccc1CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001275378694 1211225671 /nfs/dbraw/zinc/22/56/71/1211225671.db2.gz BQQCHVIQEVNBPY-LJQANCHMSA-N 1 3 360.458 0.993 20 0 FCADHO CC(C)OC(=O)CN1C[C@]2(CC[N@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275507720 1211251940 /nfs/dbraw/zinc/25/19/40/1211251940.db2.gz HVONGICDMNJVAX-LJQANCHMSA-N 1 3 369.506 0.829 20 0 FCADHO CC(C)OC(=O)CN1C[C@]2(CC[N@@H+](CC(C)(C)CN(C)C)C2)OCC1=O ZINC001275507720 1211251943 /nfs/dbraw/zinc/25/19/43/1211251943.db2.gz HVONGICDMNJVAX-LJQANCHMSA-N 1 3 369.506 0.829 20 0 FCADHO CC(=O)N1CCC(C[N@H+]2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)CC1 ZINC001275893000 1211307489 /nfs/dbraw/zinc/30/74/89/1211307489.db2.gz NSIKFCRGSGJHFH-IBGZPJMESA-N 1 3 366.506 0.110 20 0 FCADHO CC(=O)N1CCC(C[N@@H+]2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)CC1 ZINC001275893000 1211307492 /nfs/dbraw/zinc/30/74/92/1211307492.db2.gz NSIKFCRGSGJHFH-IBGZPJMESA-N 1 3 366.506 0.110 20 0 FCADHO CN(C)C[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCC(O)CC2)C1=O ZINC000924721950 1211478351 /nfs/dbraw/zinc/47/83/51/1211478351.db2.gz ITSPFCBNPSFQCK-QGZVFWFLSA-N 1 3 360.458 0.625 20 0 FCADHO C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1CCN1C1CCOCC1)CCO2 ZINC000927637551 1211577017 /nfs/dbraw/zinc/57/70/17/1211577017.db2.gz WFLVVCNUGPPRRZ-QGZVFWFLSA-N 1 3 366.506 0.746 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001110979760 1211683384 /nfs/dbraw/zinc/68/33/84/1211683384.db2.gz BZRUKBMZNCSAJF-AHCXZYCDSA-N 1 3 369.506 0.216 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000931567343 1211760938 /nfs/dbraw/zinc/76/09/38/1211760938.db2.gz QKVZKNDKVDLGJC-MRXNPFEDSA-N 1 3 363.510 0.688 20 0 FCADHO CN(C)CCn1nccc1NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000931567343 1211760951 /nfs/dbraw/zinc/76/09/51/1211760951.db2.gz QKVZKNDKVDLGJC-MRXNPFEDSA-N 1 3 363.510 0.688 20 0 FCADHO CC1(C)CNC(=O)[C@H]1NCc1ccccc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931654904 1211768467 /nfs/dbraw/zinc/76/84/67/1211768467.db2.gz TXCLTIYWDAVNGH-HZPDHXFCSA-N 1 3 358.486 0.915 20 0 FCADHO O=C1NC[C@@H](O)CC12CCN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000932831164 1211824178 /nfs/dbraw/zinc/82/41/78/1211824178.db2.gz HSPVHMPKFJTKIF-RXVVDRJESA-N 1 3 373.497 0.586 20 0 FCADHO O=C1NC[C@@H](O)CC12CCN(C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000932831164 1211824180 /nfs/dbraw/zinc/82/41/80/1211824180.db2.gz HSPVHMPKFJTKIF-RXVVDRJESA-N 1 3 373.497 0.586 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274882 1212194167 /nfs/dbraw/zinc/19/41/67/1212194167.db2.gz MEBCHWNGPYJGJP-MLHJIOFPSA-N 1 3 366.506 0.202 20 0 FCADHO CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274882 1212194172 /nfs/dbraw/zinc/19/41/72/1212194172.db2.gz MEBCHWNGPYJGJP-MLHJIOFPSA-N 1 3 366.506 0.202 20 0 FCADHO CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282411 1212235883 /nfs/dbraw/zinc/23/58/83/1212235883.db2.gz OPAHWOXVKUCNBT-XDNAFOTISA-N 1 3 365.518 0.837 20 0 FCADHO COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298501 1212494024 /nfs/dbraw/zinc/49/40/24/1212494024.db2.gz AERFARSHGUNZRG-XDNAFOTISA-N 1 3 371.522 0.464 20 0 FCADHO COCC[NH+]1CCC2(CCC(=O)N(CCCN3CCN(C)CC3)C2)CC1 ZINC001276357421 1213446360 /nfs/dbraw/zinc/44/63/60/1213446360.db2.gz LPOZUNYKSOZYDU-UHFFFAOYSA-N 1 3 366.550 0.975 20 0 FCADHO CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21)N(C)C ZINC000960661957 1213876526 /nfs/dbraw/zinc/87/65/26/1213876526.db2.gz GCCIOXCXMASIGG-YESZJQIVSA-N 1 3 366.506 0.107 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N(C)Cc1ccccc1 ZINC000418936010 1213927334 /nfs/dbraw/zinc/92/73/34/1213927334.db2.gz BCYPJUGHVODLGB-OXQOHEQNSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CN4CCC[C@@H]4C)C3)C2)CC[N@@H+]1C ZINC001019441259 1214242628 /nfs/dbraw/zinc/24/26/28/1214242628.db2.gz HOZWRWUTHFCLRY-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CN4CCC[C@@H]4C)C3)C2)CC[N@H+]1C ZINC001019441259 1214242635 /nfs/dbraw/zinc/24/26/35/1214242635.db2.gz HOZWRWUTHFCLRY-GVDBMIGSSA-N 1 3 362.518 0.872 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376187 1214324036 /nfs/dbraw/zinc/32/40/36/1214324036.db2.gz ZVEOLEILLIVFAL-HXUWFJFHSA-N 1 3 366.550 0.973 20 0 FCADHO CN1CCN(CCCN2C[C@]3(CC[N@@H+](CC(C)(C)C)C3)OCC2=O)CC1 ZINC001276376187 1214324043 /nfs/dbraw/zinc/32/40/43/1214324043.db2.gz ZVEOLEILLIVFAL-HXUWFJFHSA-N 1 3 366.550 0.973 20 0 FCADHO COCCOC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962775 1225555712 /nfs/dbraw/zinc/55/57/12/1225555712.db2.gz VPQHZXXYJJGLJE-KZNAEPCWSA-N 1 3 371.522 0.275 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000963605963 1214831691 /nfs/dbraw/zinc/83/16/91/1214831691.db2.gz QKHBCPIDBUMIOC-SIXLDLHFSA-N 1 3 359.474 0.884 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000963605963 1214831692 /nfs/dbraw/zinc/83/16/92/1214831692.db2.gz QKHBCPIDBUMIOC-SIXLDLHFSA-N 1 3 359.474 0.884 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001001425262 1216196432 /nfs/dbraw/zinc/19/64/32/1216196432.db2.gz MXVMQNSCWNJDEW-DLBZAZTESA-N 1 3 365.522 0.570 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(CCN3CCNC3=O)CC2)CC[N@H+]1C ZINC001001425262 1216196439 /nfs/dbraw/zinc/19/64/39/1216196439.db2.gz MXVMQNSCWNJDEW-DLBZAZTESA-N 1 3 365.522 0.570 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1C ZINC001057746193 1216537173 /nfs/dbraw/zinc/53/71/73/1216537173.db2.gz OPVWTBPZNMSWIA-GVDBMIGSSA-N 1 3 370.538 0.240 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1C ZINC001057746193 1216537176 /nfs/dbraw/zinc/53/71/76/1216537176.db2.gz OPVWTBPZNMSWIA-GVDBMIGSSA-N 1 3 370.538 0.240 20 0 FCADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001223174879 1225688903 /nfs/dbraw/zinc/68/89/03/1225688903.db2.gz SQMDEBSUITYCJP-NZSAHSFTSA-N 1 3 365.518 0.793 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001068885104 1216765439 /nfs/dbraw/zinc/76/54/39/1216765439.db2.gz NQNLHTQVPAAXNE-OWCLPIDISA-N 1 3 366.506 0.153 20 0 FCADHO CC(C)N(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001068885104 1216765446 /nfs/dbraw/zinc/76/54/46/1216765446.db2.gz NQNLHTQVPAAXNE-OWCLPIDISA-N 1 3 366.506 0.153 20 0 FCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(CCNC(=O)NC(C)(C)C)[C@H]2C1 ZINC001223429890 1225706061 /nfs/dbraw/zinc/70/60/61/1225706061.db2.gz DBBMBKQLJARPQM-CVEARBPZSA-N 1 3 367.538 0.959 20 0 FCADHO CN(C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900898898 1218050977 /nfs/dbraw/zinc/05/09/77/1218050977.db2.gz NLQRJGMQWDWXLB-FQEVSTJZSA-N 1 3 371.485 0.812 20 0 FCADHO CN(C)CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900898898 1218050984 /nfs/dbraw/zinc/05/09/84/1218050984.db2.gz NLQRJGMQWDWXLB-FQEVSTJZSA-N 1 3 371.485 0.812 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001096344687 1218256413 /nfs/dbraw/zinc/25/64/13/1218256413.db2.gz RINAOYZOCLXLRJ-BGTYHANMSA-N 1 3 358.486 0.949 20 0 FCADHO Cn1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001096344687 1218256423 /nfs/dbraw/zinc/25/64/23/1218256423.db2.gz RINAOYZOCLXLRJ-BGTYHANMSA-N 1 3 358.486 0.949 20 0 FCADHO COC(=O)c1cn([C@@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757603 1218517238 /nfs/dbraw/zinc/51/72/38/1218517238.db2.gz DVSUAIRUQHHLQW-CABCVRRESA-N 1 3 363.462 0.860 20 0 FCADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226160039 1225835204 /nfs/dbraw/zinc/83/52/04/1225835204.db2.gz DJPSFWMIVJOGCH-RBSFLKMASA-N 1 3 367.494 0.332 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001226766182 1225854086 /nfs/dbraw/zinc/85/40/86/1225854086.db2.gz IVSDXXSAMQCOOJ-RBSFLKMASA-N 1 3 367.494 0.176 20 0 FCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001226766182 1225854089 /nfs/dbraw/zinc/85/40/89/1225854089.db2.gz IVSDXXSAMQCOOJ-RBSFLKMASA-N 1 3 367.494 0.176 20 0 FCADHO COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226783302 1225854115 /nfs/dbraw/zinc/85/41/15/1225854115.db2.gz WPAPEQKCFOTXLT-HZPDHXFCSA-N 1 3 368.522 0.640 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000826882998 1218909638 /nfs/dbraw/zinc/90/96/38/1218909638.db2.gz QSCQGLHKBRKOLL-IRXDYDNUSA-N 1 3 366.506 0.347 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226790487 1225854712 /nfs/dbraw/zinc/85/47/12/1225854712.db2.gz DAOVBQZXBHHDGC-NUJGCVRESA-N 1 3 368.522 0.496 20 0 FCADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000804058951 1219112413 /nfs/dbraw/zinc/11/24/13/1219112413.db2.gz HAVPZHMLZFKBSI-CVEARBPZSA-N 1 3 366.506 0.204 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)[C@@H](n3ccnn3)C2)CCC1 ZINC001070209264 1219294793 /nfs/dbraw/zinc/29/47/93/1219294793.db2.gz VJEGEHPTCVXYFE-XHSDSOJGSA-N 1 3 362.478 0.140 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070475278 1219426145 /nfs/dbraw/zinc/42/61/45/1219426145.db2.gz LQLZPWNNJGCJKB-QXAKKESOSA-N 1 3 368.485 0.994 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2NCc2cncn2C)c1 ZINC001070564099 1219471263 /nfs/dbraw/zinc/47/12/63/1219471263.db2.gz VBRXHVWEWZYEMR-UWWQBHOKSA-N 1 3 371.489 0.190 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2NCc2cncn2C)c1 ZINC001070564099 1219471266 /nfs/dbraw/zinc/47/12/66/1219471266.db2.gz VBRXHVWEWZYEMR-UWWQBHOKSA-N 1 3 371.489 0.190 20 0 FCADHO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)N(CCO)C1 ZINC001070604681 1219481466 /nfs/dbraw/zinc/48/14/66/1219481466.db2.gz UEVXWEHEEUVONF-QKPAOTATSA-N 1 3 365.478 0.243 20 0 FCADHO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)N(CCO)C1 ZINC001070604681 1219481468 /nfs/dbraw/zinc/48/14/68/1219481468.db2.gz UEVXWEHEEUVONF-QKPAOTATSA-N 1 3 365.478 0.243 20 0 FCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001228137749 1225896971 /nfs/dbraw/zinc/89/69/71/1225896971.db2.gz KYMRWPLNPAVLFP-RRFJBIMHSA-N 1 3 367.494 0.320 20 0 FCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)C1 ZINC001228137749 1225896972 /nfs/dbraw/zinc/89/69/72/1225896972.db2.gz KYMRWPLNPAVLFP-RRFJBIMHSA-N 1 3 367.494 0.320 20 0 FCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001071063224 1219597915 /nfs/dbraw/zinc/59/79/15/1219597915.db2.gz LBCLVEJOJYYTMI-FCEWJHQRSA-N 1 3 366.506 0.332 20 0 FCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001071063224 1219597919 /nfs/dbraw/zinc/59/79/19/1219597919.db2.gz LBCLVEJOJYYTMI-FCEWJHQRSA-N 1 3 366.506 0.332 20 0 FCADHO O=C(CCN1CCOCC1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000725714521 1219616908 /nfs/dbraw/zinc/61/69/08/1219616908.db2.gz WZTFRYNJJKQPBH-UHFFFAOYSA-N 1 3 361.490 0.432 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC001098844813 1219839384 /nfs/dbraw/zinc/83/93/84/1219839384.db2.gz JTHQZIJWSKLHAP-OLMMMNRUSA-N 1 3 363.506 0.323 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)CC[N@H+]1C ZINC001098844813 1219839387 /nfs/dbraw/zinc/83/93/87/1219839387.db2.gz JTHQZIJWSKLHAP-OLMMMNRUSA-N 1 3 363.506 0.323 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001228603670 1225936191 /nfs/dbraw/zinc/93/61/91/1225936191.db2.gz RIBZVDGZZSGDEH-RBSFLKMASA-N 1 3 367.494 0.191 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257641 1220250562 /nfs/dbraw/zinc/25/05/62/1220250562.db2.gz FDKWXFDPCRSHCG-RYRKJORJSA-N 1 3 366.485 0.738 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001101257641 1220250566 /nfs/dbraw/zinc/25/05/66/1220250566.db2.gz FDKWXFDPCRSHCG-RYRKJORJSA-N 1 3 366.485 0.738 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(CCNC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101351269 1220298282 /nfs/dbraw/zinc/29/82/82/1220298282.db2.gz AOHRPPCXAUAKHE-BEFAXECRSA-N 1 3 367.538 0.816 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399991 1220323937 /nfs/dbraw/zinc/32/39/37/1220323937.db2.gz AZIVJDFRZPQGGI-MDZRGWNJSA-N 1 3 360.506 0.888 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001101399991 1220323940 /nfs/dbraw/zinc/32/39/40/1220323940.db2.gz AZIVJDFRZPQGGI-MDZRGWNJSA-N 1 3 360.506 0.888 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401297 1220324413 /nfs/dbraw/zinc/32/44/13/1220324413.db2.gz RSSZCKWHOVYUAT-LMMKCTJWSA-N 1 3 363.506 0.366 20 0 FCADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101401297 1220324417 /nfs/dbraw/zinc/32/44/17/1220324417.db2.gz RSSZCKWHOVYUAT-LMMKCTJWSA-N 1 3 363.506 0.366 20 0 FCADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431283 1220339510 /nfs/dbraw/zinc/33/95/10/1220339510.db2.gz IEGLAWIBXNJATD-MJGOQNOKSA-N 1 3 363.506 0.587 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015896 1220462599 /nfs/dbraw/zinc/46/25/99/1220462599.db2.gz UWJMLFQWJQOVKB-DJIMGWMZSA-N 1 3 370.513 0.877 20 0 FCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102015896 1220462600 /nfs/dbraw/zinc/46/26/00/1220462600.db2.gz UWJMLFQWJQOVKB-DJIMGWMZSA-N 1 3 370.513 0.877 20 0 FCADHO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044922 1220475674 /nfs/dbraw/zinc/47/56/74/1220475674.db2.gz KOTMCVJZKWMFPO-BRWVUGGUSA-N 1 3 363.506 0.412 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044922 1220475677 /nfs/dbraw/zinc/47/56/77/1220475677.db2.gz KOTMCVJZKWMFPO-BRWVUGGUSA-N 1 3 363.506 0.412 20 0 FCADHO CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046134 1220476133 /nfs/dbraw/zinc/47/61/33/1220476133.db2.gz OLGBYOCPMLDWPD-HZPDHXFCSA-N 1 3 367.538 0.862 20 0 FCADHO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046134 1220476135 /nfs/dbraw/zinc/47/61/35/1220476135.db2.gz OLGBYOCPMLDWPD-HZPDHXFCSA-N 1 3 367.538 0.862 20 0 FCADHO C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051805 1220479016 /nfs/dbraw/zinc/47/90/16/1220479016.db2.gz NTGCQXFBOYZFFI-NUJGCVRESA-N 1 3 363.506 0.412 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051805 1220479019 /nfs/dbraw/zinc/47/90/19/1220479019.db2.gz NTGCQXFBOYZFFI-NUJGCVRESA-N 1 3 363.506 0.412 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102066046 1220484520 /nfs/dbraw/zinc/48/45/20/1220484520.db2.gz CTQOTDCQEMPIAI-RKVPGOIHSA-N 1 3 366.506 0.406 20 0 FCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001102066046 1220484524 /nfs/dbraw/zinc/48/45/24/1220484524.db2.gz CTQOTDCQEMPIAI-RKVPGOIHSA-N 1 3 366.506 0.406 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102104288 1220497271 /nfs/dbraw/zinc/49/72/71/1220497271.db2.gz NYXOWZMHDVZLFI-HZPDHXFCSA-N 1 3 368.522 0.260 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102104288 1220497273 /nfs/dbraw/zinc/49/72/73/1220497273.db2.gz NYXOWZMHDVZLFI-HZPDHXFCSA-N 1 3 368.522 0.260 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287101 1220574082 /nfs/dbraw/zinc/57/40/82/1220574082.db2.gz MHRFGFAXWSRWAX-NVXWUHKLSA-N 1 3 364.534 0.881 20 0 FCADHO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330322 1220584384 /nfs/dbraw/zinc/58/43/84/1220584384.db2.gz OTFVKMCERCJEJS-KBAYOESNSA-N 1 3 370.538 0.409 20 0 FCADHO CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330322 1220584388 /nfs/dbraw/zinc/58/43/88/1220584388.db2.gz OTFVKMCERCJEJS-KBAYOESNSA-N 1 3 370.538 0.409 20 0 FCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488880 1220652450 /nfs/dbraw/zinc/65/24/50/1220652450.db2.gz LNAXULDNBGVVOR-HZPDHXFCSA-N 1 3 368.522 0.306 20 0 FCADHO COc1ccc(CN2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)cn1 ZINC001102511149 1220669972 /nfs/dbraw/zinc/66/99/72/1220669972.db2.gz LNTXFABUCPMZFK-NVXWUHKLSA-N 1 3 364.490 0.853 20 0 FCADHO COc1cccc(CN2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102511072 1220670107 /nfs/dbraw/zinc/67/01/07/1220670107.db2.gz IAMAXROVMPMDOR-HZPDHXFCSA-N 1 3 364.490 0.853 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513770 1220672816 /nfs/dbraw/zinc/67/28/16/1220672816.db2.gz AJOZXCFPWDQBQE-KBAYOESNSA-N 1 3 364.534 0.881 20 0 FCADHO C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513770 1220672819 /nfs/dbraw/zinc/67/28/19/1220672819.db2.gz AJOZXCFPWDQBQE-KBAYOESNSA-N 1 3 364.534 0.881 20 0 FCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001229229514 1225990517 /nfs/dbraw/zinc/99/05/17/1225990517.db2.gz BBDYMZJBKKQEGP-GVDBMIGSSA-N 1 3 368.522 0.640 20 0 FCADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H](C1CC1)N1CCCC1 ZINC001111817233 1221125474 /nfs/dbraw/zinc/12/54/74/1221125474.db2.gz VQUCQZZGOXTNQY-NSHGMRRFSA-N 1 3 365.518 0.840 20 0 FCADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H](C1CC1)N1CCCC1 ZINC001111817233 1221125476 /nfs/dbraw/zinc/12/54/76/1221125476.db2.gz VQUCQZZGOXTNQY-NSHGMRRFSA-N 1 3 365.518 0.840 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(CCN2CCNC2=O)C3)CC1 ZINC001111855567 1221137632 /nfs/dbraw/zinc/13/76/32/1221137632.db2.gz BOWFTGSLSFGCQF-KXBFYZLASA-N 1 3 363.506 0.324 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCn3cncn3)C2)CCC1 ZINC001112397030 1221251897 /nfs/dbraw/zinc/25/18/97/1221251897.db2.gz PGVBUXNRHAEPRL-WMZOPIPTSA-N 1 3 360.506 0.981 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001112425196 1221257372 /nfs/dbraw/zinc/25/73/72/1221257372.db2.gz BEFDHBPAJIEHQK-FCEWJHQRSA-N 1 3 365.522 0.570 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229940000 1226041119 /nfs/dbraw/zinc/04/11/19/1226041119.db2.gz SGQGDOLPNXLRGF-BZUAXINKSA-N 1 3 360.462 0.535 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CCOCC2)C1 ZINC001230138128 1226056736 /nfs/dbraw/zinc/05/67/36/1226056736.db2.gz GYAVCBMUGBHQRR-USXIJHARSA-N 1 3 366.506 0.250 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CCOCC2)C1 ZINC001230138128 1226056741 /nfs/dbraw/zinc/05/67/41/1226056741.db2.gz GYAVCBMUGBHQRR-USXIJHARSA-N 1 3 366.506 0.250 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284951 1226071666 /nfs/dbraw/zinc/07/16/66/1226071666.db2.gz YTZPGPYEFSEFKM-HUUCEWRRSA-N 1 3 369.510 0.579 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118678843 1221818272 /nfs/dbraw/zinc/81/82/72/1221818272.db2.gz RVLIQIMJNLDQOV-IAGOWNOFSA-N 1 3 364.490 0.053 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118678843 1221818273 /nfs/dbraw/zinc/81/82/73/1221818273.db2.gz RVLIQIMJNLDQOV-IAGOWNOFSA-N 1 3 364.490 0.053 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841158958 1222810964 /nfs/dbraw/zinc/81/09/64/1222810964.db2.gz XCCFVJIUPZPQOL-INIZCTEOSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000841178276 1222811819 /nfs/dbraw/zinc/81/18/19/1222811819.db2.gz FGZHGRDMQGQNLI-CRAIPNDOSA-N 1 3 373.501 0.963 20 0 FCADHO CS(=O)(=O)c1nc2c(c(-n3nc(CN)c4ccccc43)n1)CC[NH2+]CC2 ZINC001156856325 1223063183 /nfs/dbraw/zinc/06/31/83/1223063183.db2.gz QHRXOEOHXPJKID-UHFFFAOYSA-N 1 3 372.454 0.366 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001156992448 1223064898 /nfs/dbraw/zinc/06/48/98/1223064898.db2.gz LETDHLIBCXHKTI-IRFCIJBXSA-N 1 3 373.497 0.681 20 0 FCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001156992448 1223064902 /nfs/dbraw/zinc/06/49/02/1223064902.db2.gz LETDHLIBCXHKTI-IRFCIJBXSA-N 1 3 373.497 0.681 20 0 FCADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720871 1223081220 /nfs/dbraw/zinc/08/12/20/1223081220.db2.gz QRNIOXRPCCPWNF-VQIMIIECSA-N 1 3 371.485 0.561 20 0 FCADHO C[C@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001157900659 1223083964 /nfs/dbraw/zinc/08/39/64/1223083964.db2.gz OSPCHBVACKYGGX-BXWFABGCSA-N 1 3 368.522 0.445 20 0 FCADHO CN1C[C@H](C(=O)N2CCNC[C@H]2c2ccccc2)OC2(CC[NH2+]CC2)C1 ZINC001157959427 1223085162 /nfs/dbraw/zinc/08/51/62/1223085162.db2.gz BHVUKXXRLGKXDV-ZWKOTPCHSA-N 1 3 358.486 0.612 20 0 FCADHO CN[C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@H](C)OC(C)(C)C ZINC001158261562 1223092211 /nfs/dbraw/zinc/09/22/11/1223092211.db2.gz NDZIFOWYVKQMGK-HIFRSBDPSA-N 1 3 364.494 0.491 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336960 1223095094 /nfs/dbraw/zinc/09/50/94/1223095094.db2.gz PJYANMPIJHHKED-XDKFSHSGSA-N 1 3 358.486 0.962 20 0 FCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](CC(=O)OC(C)(C)C)NC ZINC001158498020 1223100827 /nfs/dbraw/zinc/10/08/27/1223100827.db2.gz MESZJWKFHKCABF-XDQVBPFNSA-N 1 3 369.462 0.058 20 0 FCADHO N[C@@H](CCC[NH3+])C(=O)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158737645 1223106616 /nfs/dbraw/zinc/10/66/16/1223106616.db2.gz LEHQBWQAPMSSAQ-AWEZNQCLSA-N 1 3 359.434 0.051 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158737647 1223106881 /nfs/dbraw/zinc/10/68/81/1223106881.db2.gz LEHQBWQAPMSSAQ-CQSZACIVSA-N 1 3 359.434 0.051 20 0 FCADHO Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@]24C[NH2+]C[C@H]2CNCC4)CC3)cn1 ZINC001158983703 1223114846 /nfs/dbraw/zinc/11/48/46/1223114846.db2.gz XWPOCKYMSXOBSF-XAUMDUMWSA-N 1 3 373.501 0.484 20 0 FCADHO O=C(N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159209599 1223120754 /nfs/dbraw/zinc/12/07/54/1223120754.db2.gz IATHOZCJYDSBPF-KWXDATOUSA-N 1 3 372.469 0.023 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159403129 1223126002 /nfs/dbraw/zinc/12/60/02/1223126002.db2.gz GJGWXKWBPNZBTD-XUWXXGDYSA-N 1 3 366.437 0.531 20 0 FCADHO N[C@H](C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159585328 1223130421 /nfs/dbraw/zinc/13/04/21/1223130421.db2.gz PXJLTZKBSVLRNK-YJBOKZPZSA-N 1 3 361.490 0.595 20 0 FCADHO O=C(CNC1CC[NH2+]CC1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667137 1223132791 /nfs/dbraw/zinc/13/27/91/1223132791.db2.gz SUXGMRIIRUDJKO-MOPGFXCFSA-N 1 3 373.501 0.225 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)CC[C@@H]21 ZINC001159781003 1223136571 /nfs/dbraw/zinc/13/65/71/1223136571.db2.gz FRDZPBHOHJFJTK-ZACQAIPSSA-N 1 3 362.518 0.966 20 0 FCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)CC[C@@H]21 ZINC001159781003 1223136572 /nfs/dbraw/zinc/13/65/72/1223136572.db2.gz FRDZPBHOHJFJTK-ZACQAIPSSA-N 1 3 362.518 0.966 20 0 FCADHO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001160034396 1223142758 /nfs/dbraw/zinc/14/27/58/1223142758.db2.gz CHGYVIBLJDWGQK-ROUUACIJSA-N 1 3 366.469 0.823 20 0 FCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127951 1223146770 /nfs/dbraw/zinc/14/67/70/1223146770.db2.gz GMGURWZABTYSQY-SCNOPHJPSA-N 1 3 370.457 0.475 20 0 FCADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCO2 ZINC001160191768 1223149194 /nfs/dbraw/zinc/14/91/94/1223149194.db2.gz ODIOUZKLJTUQNO-PKOBYXMFSA-N 1 3 368.522 0.722 20 0 FCADHO CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001160323187 1223154915 /nfs/dbraw/zinc/15/49/15/1223154915.db2.gz JFAOJTNVEZVDQZ-LSDHHAIUSA-N 1 3 374.489 0.032 20 0 FCADHO CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001160485008 1223162227 /nfs/dbraw/zinc/16/22/27/1223162227.db2.gz MZYFVVDJLHTPRT-KRWDZBQOSA-N 1 3 361.494 0.848 20 0 FCADHO COC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160581996 1223165183 /nfs/dbraw/zinc/16/51/83/1223165183.db2.gz JQCLESOURIBXHH-HRCADAONSA-N 1 3 368.522 0.850 20 0 FCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778865 1223172112 /nfs/dbraw/zinc/17/21/12/1223172112.db2.gz BFDWDTGUEYLAQF-FORWCCJISA-N 1 3 356.470 0.324 20 0 FCADHO CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[C@]4(C3)CNCCO4)C[C@H]1C[NH2+]CC2 ZINC001160810580 1223174819 /nfs/dbraw/zinc/17/48/19/1223174819.db2.gz CMSYNIZNROHDQU-VVWQDTPRSA-N 1 3 365.474 0.146 20 0 FCADHO CS(=O)(=O)c1nc2c(c(-n3c(CN)cc4ccncc43)n1)CC[NH2+]CC2 ZINC001160957032 1223181523 /nfs/dbraw/zinc/18/15/23/1223181523.db2.gz BSOWMBRGDOTODQ-UHFFFAOYSA-N 1 3 372.454 0.366 20 0 FCADHO O=C(NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1)c1cccc(F)c1 ZINC001161252789 1223192046 /nfs/dbraw/zinc/19/20/46/1223192046.db2.gz OKKIYVXMANQGSF-FOIQADDNSA-N 1 3 374.460 0.746 20 0 FCADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2CNCc3ccnn3C2)C2CCOCC2)CC1 ZINC001161315879 1223195680 /nfs/dbraw/zinc/19/56/80/1223195680.db2.gz DOGRSSOSEYWFEG-JYJNAYRXSA-N 1 3 361.490 0.880 20 0 FCADHO COc1ccc2c(C[C@H](N)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC001161412109 1223198331 /nfs/dbraw/zinc/19/83/31/1223198331.db2.gz GCEMMXHCJDGIBE-QYHDQYMBSA-N 1 3 371.437 0.867 20 0 FCADHO COC(=O)[C@@H]1Cc2cc(NCCCN3CCN(C)CC3)cnc2NC1=O ZINC001161708956 1223207157 /nfs/dbraw/zinc/20/71/57/1223207157.db2.gz ZOYFQKPLVJQHLR-OAHLLOKOSA-N 1 3 361.446 0.415 20 0 FCADHO COC(=O)[C@@H](C[NH3+])Cc1ccc(NCc2nnn3c2CNCCC3)cc1 ZINC001162980308 1223223108 /nfs/dbraw/zinc/22/31/08/1223223108.db2.gz YFNOUYFANWZNQF-CQSZACIVSA-N 1 3 358.446 0.674 20 0 FCADHO CC[NH+](CC)CCNC(=N)Nc1ccc(C(=O)NC2CCOCC2)nn1 ZINC001163129103 1223227203 /nfs/dbraw/zinc/22/72/03/1223227203.db2.gz GTJYYMAOMQGENI-UHFFFAOYSA-N 1 3 363.466 0.663 20 0 FCADHO NCc1cc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001165675893 1223253122 /nfs/dbraw/zinc/25/31/22/1223253122.db2.gz LFFARPWMSNMCMM-NJAFHUGGSA-N 1 3 368.489 0.906 20 0 FCADHO NCc1cc(N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001165675893 1223253124 /nfs/dbraw/zinc/25/31/24/1223253124.db2.gz LFFARPWMSNMCMM-NJAFHUGGSA-N 1 3 368.489 0.906 20 0 FCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205306985 1223319546 /nfs/dbraw/zinc/31/95/46/1223319546.db2.gz JCVKGDHUERVXEX-DLBZAZTESA-N 1 3 364.465 0.798 20 0 FCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001208066107 1223512396 /nfs/dbraw/zinc/51/23/96/1223512396.db2.gz OVCDHFJTWIJDDO-JZXOWHBKSA-N 1 3 366.506 0.060 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208074643 1223514431 /nfs/dbraw/zinc/51/44/31/1223514431.db2.gz ZYXKBYFPOIJSSP-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208074643 1223514434 /nfs/dbraw/zinc/51/44/34/1223514434.db2.gz ZYXKBYFPOIJSSP-QLFBSQMISA-N 1 3 367.494 0.143 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441516 1223545865 /nfs/dbraw/zinc/54/58/65/1223545865.db2.gz JDVUFJHHXRDNOO-SOLBZPMBSA-N 1 3 367.490 0.935 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208609069 1223561968 /nfs/dbraw/zinc/56/19/68/1223561968.db2.gz UIYDOFZBDKRYFP-MRXNPFEDSA-N 1 3 360.502 0.679 20 0 FCADHO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609069 1223561970 /nfs/dbraw/zinc/56/19/70/1223561970.db2.gz UIYDOFZBDKRYFP-MRXNPFEDSA-N 1 3 360.502 0.679 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041907 1223663178 /nfs/dbraw/zinc/66/31/78/1223663178.db2.gz XOBOYPYSSMKBEX-SOLBZPMBSA-N 1 3 371.522 0.321 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC2CCOCC2)C[C@H]1C ZINC001210041907 1223663182 /nfs/dbraw/zinc/66/31/82/1223663182.db2.gz XOBOYPYSSMKBEX-SOLBZPMBSA-N 1 3 371.522 0.321 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210486513 1223694466 /nfs/dbraw/zinc/69/44/66/1223694466.db2.gz XXSMSRGMJFUOSC-IXDOHACOSA-N 1 3 368.522 0.138 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210486513 1223694469 /nfs/dbraw/zinc/69/44/69/1223694469.db2.gz XXSMSRGMJFUOSC-IXDOHACOSA-N 1 3 368.522 0.138 20 0 FCADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310005 1223734308 /nfs/dbraw/zinc/73/43/08/1223734308.db2.gz MJVFOHUPHIFCNC-SJLPKXTDSA-N 1 3 368.522 0.452 20 0 FCADHO CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863071 1223864179 /nfs/dbraw/zinc/86/41/79/1223864179.db2.gz BROOLFVVONBIDR-RCCFBDPRSA-N 1 3 371.522 0.587 20 0 FCADHO CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H](OC)C1 ZINC001213863071 1223864182 /nfs/dbraw/zinc/86/41/82/1223864182.db2.gz BROOLFVVONBIDR-RCCFBDPRSA-N 1 3 371.522 0.587 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214847575 1223948123 /nfs/dbraw/zinc/94/81/23/1223948123.db2.gz JZPBENYCKOEKIH-GDBMZVCRSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1NCC(=O)N(C)C ZINC001214850624 1223948134 /nfs/dbraw/zinc/94/81/34/1223948134.db2.gz ZAFOOVPYQBARHR-OIISXLGYSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1NCC(=O)N(C)C ZINC001214850624 1223948135 /nfs/dbraw/zinc/94/81/35/1223948135.db2.gz ZAFOOVPYQBARHR-OIISXLGYSA-N 1 3 366.506 0.155 20 0 FCADHO Cc1ccc(CN(C)C(=O)CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)o1 ZINC001215458866 1224000803 /nfs/dbraw/zinc/00/08/03/1224000803.db2.gz NMFDJYFPSOIMSC-RHSMWYFYSA-N 1 3 364.490 0.935 20 0 FCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C2)C1 ZINC001215541026 1224005114 /nfs/dbraw/zinc/00/51/14/1224005114.db2.gz VEWGCMCSWSIJES-BZUAXINKSA-N 1 3 367.538 0.862 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540791 1224005204 /nfs/dbraw/zinc/00/52/04/1224005204.db2.gz QCPVGTLAGSZOPY-RRFJBIMHSA-N 1 3 367.494 0.001 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1)[NH+]1CCCC1 ZINC001215598344 1224008071 /nfs/dbraw/zinc/00/80/71/1224008071.db2.gz ADVFVENACQOGGY-BFYDXBDKSA-N 1 3 364.494 0.253 20 0 FCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1)[NH+]1CCCC1 ZINC001215598858 1224008921 /nfs/dbraw/zinc/00/89/21/1224008921.db2.gz JZSDXVRTLBCITC-SOLBZPMBSA-N 1 3 363.506 0.858 20 0 FCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)c2)C1)[NH+]1CCCC1 ZINC001215599156 1224008995 /nfs/dbraw/zinc/00/89/95/1224008995.db2.gz SYPZPRVJBITSRB-JFIYKMOQSA-N 1 3 363.506 0.858 20 0 FCADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778200 1224017449 /nfs/dbraw/zinc/01/74/49/1224017449.db2.gz DKTFCMWRSCUEJV-UKRRQHHQSA-N 1 3 367.494 0.001 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001215973161 1224027672 /nfs/dbraw/zinc/02/76/72/1224027672.db2.gz VMEWGHLNVWARRC-HUUCEWRRSA-N 1 3 369.510 0.391 20 0 FCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215972996 1224027797 /nfs/dbraw/zinc/02/77/97/1224027797.db2.gz JZAGDBBCOKANGQ-IAGOWNOFSA-N 1 3 367.538 0.960 20 0 FCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090542 1224033725 /nfs/dbraw/zinc/03/37/25/1224033725.db2.gz JUCRWMXNRGVSLU-NVXWUHKLSA-N 1 3 368.522 0.401 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986771211 1248994728 /nfs/dbraw/zinc/99/47/28/1248994728.db2.gz KWEUAFLBHNDARW-MXSMSXNCSA-N 1 3 373.501 0.989 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC[N@H+]1C ZINC000986771211 1248994737 /nfs/dbraw/zinc/99/47/37/1248994737.db2.gz KWEUAFLBHNDARW-MXSMSXNCSA-N 1 3 373.501 0.989 20 0 FCADHO [NH2+]=C(NCCCn1cc(CO)nn1)NC1CCN(Cc2ccccc2)CC1 ZINC000849085205 1245392097 /nfs/dbraw/zinc/39/20/97/1245392097.db2.gz HXPIYCQDDABNAV-UHFFFAOYSA-N 1 3 371.489 0.939 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000849111651 1245393038 /nfs/dbraw/zinc/39/30/38/1245393038.db2.gz YPWDUHUQGAICOX-OAHLLOKOSA-N 1 3 370.542 0.899 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1OC ZINC000849106471 1245393058 /nfs/dbraw/zinc/39/30/58/1245393058.db2.gz QUOPYFAMQSOAHU-INIZCTEOSA-N 1 3 361.490 0.952 20 0 FCADHO C[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601467 1245456888 /nfs/dbraw/zinc/45/68/88/1245456888.db2.gz GABROYUMPHYTQA-IRXDYDNUSA-N 1 3 367.538 0.328 20 0 FCADHO N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000911516499 1245504004 /nfs/dbraw/zinc/50/40/04/1245504004.db2.gz KZABDGJPSZQVBX-KBAYOESNSA-N 1 3 356.470 0.814 20 0 FCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)C2)CC1 ZINC000911518222 1245504649 /nfs/dbraw/zinc/50/46/49/1245504649.db2.gz QHVIZVFVWJNXEI-BHIYHBOVSA-N 1 3 370.497 0.918 20 0 FCADHO CN1CC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000916759377 1245539536 /nfs/dbraw/zinc/53/95/36/1245539536.db2.gz LFXFALAZZPSXSN-MRXNPFEDSA-N 1 3 361.494 0.382 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)CC3)CC[N@@H+]1C ZINC000945073477 1247731073 /nfs/dbraw/zinc/73/10/73/1247731073.db2.gz SNTQMCUYTSNHHC-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)CC3)CC[N@H+]1C ZINC000945073477 1247731079 /nfs/dbraw/zinc/73/10/79/1247731079.db2.gz SNTQMCUYTSNHHC-GDBMZVCRSA-N 1 3 359.474 0.743 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976601159 1248279201 /nfs/dbraw/zinc/27/92/01/1248279201.db2.gz RANZLCMGIWHVBW-JLOCXQCDSA-N 1 3 362.518 0.632 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)CC[N@H+]1C ZINC000976601159 1248279209 /nfs/dbraw/zinc/27/92/09/1248279209.db2.gz RANZLCMGIWHVBW-JLOCXQCDSA-N 1 3 362.518 0.632 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000994335722 1250384807 /nfs/dbraw/zinc/38/48/07/1250384807.db2.gz NOSIYHNOMTXETM-BRWVUGGUSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656559 1251942520 /nfs/dbraw/zinc/94/25/20/1251942520.db2.gz TXJBQABFHJYJRH-YVSFHVDLSA-N 1 3 360.502 0.815 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000999581179 1252145730 /nfs/dbraw/zinc/14/57/30/1252145730.db2.gz UOJHZRNHJCYXQJ-HNWLLIRGSA-N 1 3 359.474 0.931 20 0 FCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000999581179 1252145732 /nfs/dbraw/zinc/14/57/32/1252145732.db2.gz UOJHZRNHJCYXQJ-HNWLLIRGSA-N 1 3 359.474 0.931 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CCN(CCOC)C3)nn2)CC[N@@H+]1C ZINC000999985667 1252259735 /nfs/dbraw/zinc/25/97/35/1252259735.db2.gz DFGGHXWVPFJECI-IXDOHACOSA-N 1 3 364.494 0.518 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CCN(CCOC)C3)nn2)CC[N@H+]1C ZINC000999985667 1252259745 /nfs/dbraw/zinc/25/97/45/1252259745.db2.gz DFGGHXWVPFJECI-IXDOHACOSA-N 1 3 364.494 0.518 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC001002789353 1252674113 /nfs/dbraw/zinc/67/41/13/1252674113.db2.gz DGMROEBKZWZCEM-TVFCKZIOSA-N 1 3 362.518 0.918 20 0 FCADHO CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)CC1 ZINC001002789353 1252674130 /nfs/dbraw/zinc/67/41/30/1252674130.db2.gz DGMROEBKZWZCEM-TVFCKZIOSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003745299 1253088459 /nfs/dbraw/zinc/08/84/59/1253088459.db2.gz IAHADERASOILJJ-HPBDAGMYSA-N 1 3 362.518 0.918 20 0 FCADHO C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004392265 1253312348 /nfs/dbraw/zinc/31/23/48/1253312348.db2.gz BMBAAYJMMYADSK-HZMVEIRTSA-N 1 3 360.502 0.672 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001329678464 1265810964 /nfs/dbraw/zinc/81/09/64/1265810964.db2.gz GYTJSRMIYHKBHQ-XBVQOTNRSA-N 1 3 366.506 0.317 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CN(CC)CC)CC[N@@H+]1C ZINC001061623195 1254194249 /nfs/dbraw/zinc/19/42/49/1254194249.db2.gz VYQVEGKOYVIHMY-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CN(CC)CC)CC[N@H+]1C ZINC001061623195 1254194253 /nfs/dbraw/zinc/19/42/53/1254194253.db2.gz VYQVEGKOYVIHMY-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CN(C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC[NH2+]CC1 ZINC001329843648 1265871242 /nfs/dbraw/zinc/87/12/42/1265871242.db2.gz QJFDPUHOFISSLS-UHFFFAOYSA-N 1 3 373.501 0.620 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)cn1 ZINC001077817882 1255018072 /nfs/dbraw/zinc/01/80/72/1255018072.db2.gz AERXYJJAJYSHSQ-QZTJIDSGSA-N 1 3 363.506 0.800 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)c1 ZINC001078224568 1255337109 /nfs/dbraw/zinc/33/71/09/1255337109.db2.gz OHOWREUGESYNEL-KFKAGJAMSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)c1 ZINC001078224568 1255337118 /nfs/dbraw/zinc/33/71/18/1255337118.db2.gz OHOWREUGESYNEL-KFKAGJAMSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001078230638 1255344593 /nfs/dbraw/zinc/34/45/93/1255344593.db2.gz KRZCWSJNLANLFL-KFKAGJAMSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001078230638 1255344602 /nfs/dbraw/zinc/34/46/02/1255344602.db2.gz KRZCWSJNLANLFL-KFKAGJAMSA-N 1 3 361.486 0.950 20 0 FCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161209 1255765802 /nfs/dbraw/zinc/76/58/02/1255765802.db2.gz RFOWJGNULFTKPR-QCZOYZIOSA-N 1 3 359.474 0.183 20 0 FCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161209 1255765809 /nfs/dbraw/zinc/76/58/09/1255765809.db2.gz RFOWJGNULFTKPR-QCZOYZIOSA-N 1 3 359.474 0.183 20 0 FCADHO CCN(CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080876847 1256069778 /nfs/dbraw/zinc/06/97/78/1256069778.db2.gz SFKVCHQZZYPRMS-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080876847 1256069783 /nfs/dbraw/zinc/06/97/83/1256069783.db2.gz SFKVCHQZZYPRMS-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001081173820 1256198530 /nfs/dbraw/zinc/19/85/30/1256198530.db2.gz OTFASIFYHCPQKE-GBESFXJTSA-N 1 3 370.497 0.801 20 0 FCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082508081 1256794153 /nfs/dbraw/zinc/79/41/53/1256794153.db2.gz PGZWZYYPWALZIR-BRWVUGGUSA-N 1 3 366.506 0.155 20 0 FCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082508081 1256794155 /nfs/dbraw/zinc/79/41/55/1256794155.db2.gz PGZWZYYPWALZIR-BRWVUGGUSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1N[C@@H]1CCN(C2CCC2)C1=O ZINC001082719815 1257009280 /nfs/dbraw/zinc/00/92/80/1257009280.db2.gz OFBIYRWJROOCLC-ZTFGCOKTSA-N 1 3 362.518 0.918 20 0 FCADHO Cc1ncc(CN[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)cn1 ZINC001082798334 1257057184 /nfs/dbraw/zinc/05/71/84/1257057184.db2.gz OBTNPBFXURKYFZ-RDTXWAMCSA-N 1 3 371.489 0.793 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 ZINC001083149083 1257405118 /nfs/dbraw/zinc/40/51/18/1257405118.db2.gz XNLMGNFUJVYSGS-VVJOJPPRSA-N 1 3 361.486 0.561 20 0 FCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 ZINC001083149083 1257405123 /nfs/dbraw/zinc/40/51/23/1257405123.db2.gz XNLMGNFUJVYSGS-VVJOJPPRSA-N 1 3 361.486 0.561 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001084090831 1257915533 /nfs/dbraw/zinc/91/55/33/1257915533.db2.gz KRZCWSJNLANLFL-LZQZEXGQSA-N 1 3 361.486 0.950 20 0 FCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001084090831 1257915540 /nfs/dbraw/zinc/91/55/40/1257915540.db2.gz KRZCWSJNLANLFL-LZQZEXGQSA-N 1 3 361.486 0.950 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)CC1 ZINC001084631159 1258211342 /nfs/dbraw/zinc/21/13/42/1258211342.db2.gz FPARTDCXZONDMJ-QZTJIDSGSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084943783 1258456321 /nfs/dbraw/zinc/45/63/21/1258456321.db2.gz ZUNRZWQVCAAOIB-TVFCKZIOSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084943783 1258456323 /nfs/dbraw/zinc/45/63/23/1258456323.db2.gz ZUNRZWQVCAAOIB-TVFCKZIOSA-N 1 3 362.518 0.872 20 0 FCADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)CC1 ZINC001085022643 1258528837 /nfs/dbraw/zinc/52/88/37/1258528837.db2.gz YIPKICAKNFVXSN-AEFFLSMTSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001331319504 1266192096 /nfs/dbraw/zinc/19/20/96/1266192096.db2.gz NNOCKGPNBUCCSP-AWEZNQCLSA-N 1 3 362.474 0.113 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCN3C(=O)CCC3=O)[C@H](C)C2)C1 ZINC001106666772 1258936625 /nfs/dbraw/zinc/93/66/25/1258936625.db2.gz ULFZAKVPVAAENT-ARFHVFGLSA-N 1 3 364.490 0.161 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106665367 1258936770 /nfs/dbraw/zinc/93/67/70/1258936770.db2.gz UIJOFWLOHPSEJF-RBSFLKMASA-N 1 3 363.462 0.782 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106704859 1258943305 /nfs/dbraw/zinc/94/33/05/1258943305.db2.gz GCEZUEUINGSADN-ZIAGYGMSSA-N 1 3 359.430 0.546 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCCCOC)[C@H](C)C1 ZINC001106907895 1258993984 /nfs/dbraw/zinc/99/39/84/1258993984.db2.gz HUBKVFSTYBJDMI-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(CC(=O)N1CCC1)CC2)C1CC1 ZINC001107439165 1259088370 /nfs/dbraw/zinc/08/83/70/1259088370.db2.gz TXZDYJMXEHMYFO-IMFGXOCKSA-N 1 3 362.518 0.920 20 0 FCADHO COc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127644332 1259182752 /nfs/dbraw/zinc/18/27/52/1259182752.db2.gz ZSSVPMUNOGPZBM-GDBMZVCRSA-N 1 3 362.474 0.357 20 0 FCADHO COc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127644332 1259182756 /nfs/dbraw/zinc/18/27/56/1259182756.db2.gz ZSSVPMUNOGPZBM-GDBMZVCRSA-N 1 3 362.474 0.357 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228314 1259349408 /nfs/dbraw/zinc/34/94/08/1259349408.db2.gz NFWBRGTVCWSEAX-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO Cc1cc(NC(=O)CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001200637007 1259419328 /nfs/dbraw/zinc/41/93/28/1259419328.db2.gz NYMWYUKUDAKKBM-UKRRQHHQSA-N 1 3 363.462 0.842 20 0 FCADHO Cc1cc(NC(=O)CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001200637007 1259419333 /nfs/dbraw/zinc/41/93/33/1259419333.db2.gz NYMWYUKUDAKKBM-UKRRQHHQSA-N 1 3 363.462 0.842 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@H]2CCCNC2=O)C1 ZINC001211669276 1259425875 /nfs/dbraw/zinc/42/58/75/1259425875.db2.gz RFJDLYOXSKWLMS-OKZBNKHCSA-N 1 3 358.486 0.801 20 0 FCADHO CN1CC[C@@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2ccccc2)C1=O ZINC001211669059 1259426252 /nfs/dbraw/zinc/42/62/52/1259426252.db2.gz HCNFKUJGCGGSBA-RCCFBDPRSA-N 1 3 358.486 0.753 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230056 1259537043 /nfs/dbraw/zinc/53/70/43/1259537043.db2.gz WRMGNSCEQYKJNH-QLFBSQMISA-N 1 3 369.510 0.387 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216230056 1259537048 /nfs/dbraw/zinc/53/70/48/1259537048.db2.gz WRMGNSCEQYKJNH-QLFBSQMISA-N 1 3 369.510 0.387 20 0 FCADHO c1c(C2CC[NH2+]CC2)nn2cc(CN3CC[C@@H]4OCCN[C@H]4C3)cnc12 ZINC001235207044 1259568510 /nfs/dbraw/zinc/56/85/10/1259568510.db2.gz UGTPNJUAOZQJQY-ROUUACIJSA-N 1 3 356.474 0.759 20 0 FCADHO CN1CCN(C2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)CC1 ZINC001331727833 1266273947 /nfs/dbraw/zinc/27/39/47/1266273947.db2.gz JOFSTYVZALYXKV-UHFFFAOYSA-N 1 3 360.506 0.200 20 0 FCADHO CCN1CCN([C@H](C)C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001335384624 1259636099 /nfs/dbraw/zinc/63/60/99/1259636099.db2.gz PEJSOCPYJUTOIH-QAPCUYQASA-N 1 3 369.531 0.739 20 0 FCADHO O=c1ccc2c(n1CCN1CCOCC1)CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246157464 1259650049 /nfs/dbraw/zinc/65/00/49/1259650049.db2.gz ORDMRELYSZOPIS-SFHVURJKSA-N 1 3 360.502 0.379 20 0 FCADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246415848 1259652959 /nfs/dbraw/zinc/65/29/59/1259652959.db2.gz LJLIIOZMWYEQBH-AWEZNQCLSA-N 1 3 371.478 0.614 20 0 FCADHO O=C(NC1CCCC1)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246745709 1259676695 /nfs/dbraw/zinc/67/66/95/1259676695.db2.gz FZUUHABTXFMRLJ-CQSZACIVSA-N 1 3 358.490 0.468 20 0 FCADHO O=C(c1ccco1)N1CCC[C@@]2(C1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246766023 1259684435 /nfs/dbraw/zinc/68/44/35/1259684435.db2.gz OKCVTUGVPPAAOI-JXFKEZNVSA-N 1 3 374.485 0.681 20 0 FCADHO Cn1cc(N2CC[C@@]3(CCCN([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246768943 1259687281 /nfs/dbraw/zinc/68/72/81/1259687281.db2.gz CZPHAYVDRMAGDZ-MAUKXSAKSA-N 1 3 358.490 0.333 20 0 FCADHO COC(=O)[C@H](O)CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001252416790 1259786001 /nfs/dbraw/zinc/78/60/01/1259786001.db2.gz CUMSNBRCOKLSSU-BRSBDYLESA-N 1 3 370.490 0.501 20 0 FCADHO CC[NH+](CC)C[C@@H](O)CN1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001253181594 1259825382 /nfs/dbraw/zinc/82/53/82/1259825382.db2.gz FVHUUDBINHIKSU-MSOLQXFVSA-N 1 3 365.518 0.816 20 0 FCADHO O=C1NC(=O)C2(CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)N1 ZINC001254039213 1259868165 /nfs/dbraw/zinc/86/81/65/1259868165.db2.gz APRZTZWGLQLVHU-UHFFFAOYSA-N 1 3 372.469 0.688 20 0 FCADHO CCOC(=O)CNC(=O)CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049256 1259870572 /nfs/dbraw/zinc/87/05/72/1259870572.db2.gz BOQCLNQUCUKYOZ-UHFFFAOYSA-N 1 3 363.458 0.282 20 0 FCADHO CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@@H]2CCN(C)C2)ncn1 ZINC001255433373 1259913351 /nfs/dbraw/zinc/91/33/51/1259913351.db2.gz IDCCWHMCZBNSIJ-OAHLLOKOSA-N 1 3 370.505 0.596 20 0 FCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337529804 1260423615 /nfs/dbraw/zinc/42/36/15/1260423615.db2.gz JZHKWAVORFKHRY-KOMQPUFPSA-N 1 3 350.438 0.569 20 0 FCADHO [NH3+]C1(CNC(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC001338265471 1260602672 /nfs/dbraw/zinc/60/26/72/1260602672.db2.gz YAGBKYYTOZVAHW-UHFFFAOYSA-N 1 3 373.501 0.313 20 0 FCADHO CN1CCN(CCCN2CCC3(CC[NH+](CC(C)(C)O)CC3)C2=O)CC1 ZINC001277761005 1260666569 /nfs/dbraw/zinc/66/65/69/1260666569.db2.gz DZEHOXKDTRSYQS-UHFFFAOYSA-N 1 3 366.550 0.709 20 0 FCADHO O=C1CC[C@@H](CN2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472467 1260695988 /nfs/dbraw/zinc/69/59/88/1260695988.db2.gz NMLVXHUGTDMRJB-XIRDDKMYSA-N 1 3 360.502 0.720 20 0 FCADHO O=C1CC[C@@H](CN2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C4CCCC4)C[C@@H]23)N1 ZINC001278472467 1260695995 /nfs/dbraw/zinc/69/59/95/1260695995.db2.gz NMLVXHUGTDMRJB-XIRDDKMYSA-N 1 3 360.502 0.720 20 0 FCADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c1 ZINC001278769499 1260728738 /nfs/dbraw/zinc/72/87/38/1260728738.db2.gz NZHJLDGZRAEYAC-KDURUIRLSA-N 1 3 360.502 0.835 20 0 FCADHO C[NH+](C)CCN1CCO[C@H]2CN(CC3CN(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001279500855 1260881334 /nfs/dbraw/zinc/88/13/34/1260881334.db2.gz FJXKPLTWFOCOPA-SJORKVTESA-N 1 3 368.522 0.800 20 0 FCADHO C[NH+]1CCC(CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCc2c[nH]cn2)CC1 ZINC001280124965 1261010876 /nfs/dbraw/zinc/01/08/76/1261010876.db2.gz BVKKPUNFQZTGEP-MLHJIOFPSA-N 1 3 361.490 0.582 20 0 FCADHO C[NH+]1CCC(CN2CCc3n[nH]c(C(=O)NCc4cnc[nH]4)c3C2)CC1 ZINC001280124910 1261010964 /nfs/dbraw/zinc/01/09/64/1261010964.db2.gz AAOFYYLPTGDKGR-UHFFFAOYSA-N 1 3 357.462 0.763 20 0 FCADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280155040 1261016249 /nfs/dbraw/zinc/01/62/49/1261016249.db2.gz VQTXTAGXGPBZGQ-HOTGVXAUSA-N 1 3 360.458 0.590 20 0 FCADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280155040 1261016256 /nfs/dbraw/zinc/01/62/56/1261016256.db2.gz VQTXTAGXGPBZGQ-HOTGVXAUSA-N 1 3 360.458 0.590 20 0 FCADHO CC[NH+]1CCC(CN2C[C@@H]3C(C(=O)Nc4nccn4C)=NO[C@@H]3C2)CC1 ZINC001280249406 1261042427 /nfs/dbraw/zinc/04/24/27/1261042427.db2.gz SIWDMSLOAANQTB-LSDHHAIUSA-N 1 3 360.462 0.777 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281852078 1261234914 /nfs/dbraw/zinc/23/49/14/1261234914.db2.gz PZSMQDZATADYPV-IXDOHACOSA-N 1 3 368.522 0.543 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)N(C)C ZINC001281899221 1261268341 /nfs/dbraw/zinc/26/83/41/1261268341.db2.gz QQVHXOIZXJJBGS-SOLBZPMBSA-N 1 3 368.522 0.137 20 0 FCADHO [NH3+]CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001580316674 1278118323 /nfs/dbraw/zinc/11/83/23/1278118323.db2.gz CZXMRNKZHLBDOC-HNNXBMFYSA-N 1 3 357.462 0.457 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)N(C)C ZINC001289182248 1262141173 /nfs/dbraw/zinc/14/11/73/1262141173.db2.gz RYDFKGKZRZTKQA-JFIYKMOQSA-N 1 3 368.522 0.137 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1O ZINC001289719700 1262322817 /nfs/dbraw/zinc/32/28/17/1262322817.db2.gz CHNQYTDTWPCXEX-CVEARBPZSA-N 1 3 368.522 0.281 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001290527341 1262464341 /nfs/dbraw/zinc/46/43/41/1262464341.db2.gz BLGPEQVLIKFNRK-ZJPYXAASSA-N 1 3 364.534 0.975 20 0 FCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001290527341 1262464344 /nfs/dbraw/zinc/46/43/44/1262464344.db2.gz BLGPEQVLIKFNRK-ZJPYXAASSA-N 1 3 364.534 0.975 20 0 FCADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304849595 1263151799 /nfs/dbraw/zinc/15/17/99/1263151799.db2.gz DSRNCRMCTGGAPP-ZBFHGGJFSA-N 1 3 363.510 0.279 20 0 FCADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001318502030 1263581447 /nfs/dbraw/zinc/58/14/47/1263581447.db2.gz FKKSGIBWMZRZCN-IAGOWNOFSA-N 1 3 365.522 0.809 20 0 FCADHO Cc1nnc2n1C[C@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC001319398891 1263688059 /nfs/dbraw/zinc/68/80/59/1263688059.db2.gz IXSSDYDXYWKOJE-OAHLLOKOSA-N 1 3 360.506 0.824 20 0 FCADHO Cn1cc([C@H](CO)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC001320225937 1263774463 /nfs/dbraw/zinc/77/44/63/1263774463.db2.gz IOCWGKBGHUUPPY-KRWDZBQOSA-N 1 3 364.494 0.311 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC1(CN[C@H]2CCC[C@H]2C(=O)NC)COC1 ZINC001321806571 1264068289 /nfs/dbraw/zinc/06/82/89/1264068289.db2.gz QXYMGMPKWPSABA-FPCVCCKLSA-N 1 3 366.506 0.012 20 0 FCADHO CNC(=O)[C@@H]1CCC[C@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)COC1 ZINC001321806571 1264068297 /nfs/dbraw/zinc/06/82/97/1264068297.db2.gz QXYMGMPKWPSABA-FPCVCCKLSA-N 1 3 366.506 0.012 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001580401872 1278228192 /nfs/dbraw/zinc/22/81/92/1278228192.db2.gz BFHGTEAOFYELMJ-CXAGYDPISA-N 1 3 369.473 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580402312 1278230270 /nfs/dbraw/zinc/23/02/70/1278230270.db2.gz KKSWACWNGNCCEK-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323511423 1264445648 /nfs/dbraw/zinc/44/56/48/1264445648.db2.gz JSXYMOARPUEFLB-IRXDYDNUSA-N 1 3 370.538 0.506 20 0 FCADHO CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)CCC1 ZINC001512846309 1264689912 /nfs/dbraw/zinc/68/99/12/1264689912.db2.gz LSJLDOYQRZIPRV-JKSUJKDBSA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001512982333 1264793249 /nfs/dbraw/zinc/79/32/49/1264793249.db2.gz XAAJHWVHPUCTCD-IXDOHACOSA-N 1 3 366.506 0.031 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001512982333 1264793255 /nfs/dbraw/zinc/79/32/55/1264793255.db2.gz XAAJHWVHPUCTCD-IXDOHACOSA-N 1 3 366.506 0.031 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC001325729137 1264980833 /nfs/dbraw/zinc/98/08/33/1264980833.db2.gz JGEXPGJQLQECAF-AWEZNQCLSA-N 1 3 374.489 0.692 20 0 FCADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513419686 1265111586 /nfs/dbraw/zinc/11/15/86/1265111586.db2.gz NRANDEDIUCMPDS-HUUCEWRRSA-N 1 3 354.495 0.155 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1O ZINC001513581791 1265232056 /nfs/dbraw/zinc/23/20/56/1265232056.db2.gz AAUVWMAELBCZDO-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1O ZINC001513581791 1265232063 /nfs/dbraw/zinc/23/20/63/1265232063.db2.gz AAUVWMAELBCZDO-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO O=C(c1cccc2c1CNC2)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333636428 1266660617 /nfs/dbraw/zinc/66/06/17/1266660617.db2.gz SFWSZDSAESRRLH-MSOLQXFVSA-N 1 3 369.469 0.650 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001334062542 1266800628 /nfs/dbraw/zinc/80/06/28/1266800628.db2.gz GSNIGKBBQZNNHC-IEBWSBKVSA-N 1 3 355.523 0.238 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)CCN2C1=O ZINC001549215382 1267859069 /nfs/dbraw/zinc/85/90/69/1267859069.db2.gz QTQIAFXXOVLZDZ-YYIAUSFCSA-N 1 3 357.458 0.086 20 0 FCADHO Cn1nccc1[C@H]1[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)CCCN1C ZINC001550360534 1268105863 /nfs/dbraw/zinc/10/58/63/1268105863.db2.gz GGJJQFKNIRUMNV-CRAIPNDOSA-N 1 3 362.522 0.413 20 0 FCADHO Cn1nccc1[C@H]1[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)CCCN1C ZINC001550360534 1268105867 /nfs/dbraw/zinc/10/58/67/1268105867.db2.gz GGJJQFKNIRUMNV-CRAIPNDOSA-N 1 3 362.522 0.413 20 0 FCADHO CC(C)[N@@H+]1CCCN(c2nnc(C3CCN(CCO)CC3)n2C)CC1 ZINC001339056680 1268159268 /nfs/dbraw/zinc/15/92/68/1268159268.db2.gz GNJUNSRYIVOJGL-UHFFFAOYSA-N 1 3 350.511 0.907 20 0 FCADHO CC(C)[N@H+]1CCCN(c2nnc(C3CCN(CCO)CC3)n2C)CC1 ZINC001339056680 1268159272 /nfs/dbraw/zinc/15/92/72/1268159272.db2.gz GNJUNSRYIVOJGL-UHFFFAOYSA-N 1 3 350.511 0.907 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC001550911268 1268183155 /nfs/dbraw/zinc/18/31/55/1268183155.db2.gz AANDQWXCPJZENC-GUYCJALGSA-N 1 3 365.865 0.910 20 0 FCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC001550914800 1268183885 /nfs/dbraw/zinc/18/38/85/1268183885.db2.gz ZQWHAALTBRSTIS-LPHOPBHVSA-N 1 3 362.449 0.678 20 0 FCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551275655 1268221427 /nfs/dbraw/zinc/22/14/27/1268221427.db2.gz WEFOULPGDYUCAR-BNQMIIOLSA-N 1 3 354.495 0.384 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551496149 1268261816 /nfs/dbraw/zinc/26/18/16/1268261816.db2.gz RBLNJAOXMUEVEB-KSZLIROESA-N 1 3 371.485 0.559 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551556706 1268269189 /nfs/dbraw/zinc/26/91/89/1268269189.db2.gz STKBQELHMZQHPZ-HLLBOEOZSA-N 1 3 351.495 0.417 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552153385 1268395185 /nfs/dbraw/zinc/39/51/85/1268395185.db2.gz DSQRCPCKXIGBCL-IAGOWNOFSA-N 1 3 350.507 0.635 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606745 1268488720 /nfs/dbraw/zinc/48/87/20/1268488720.db2.gz JNUBVLGMNLLEKA-BRWVUGGUSA-N 1 3 361.494 0.792 20 0 FCADHO CN(C)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@H]1n1ccnn1 ZINC001552606745 1268488724 /nfs/dbraw/zinc/48/87/24/1268488724.db2.gz JNUBVLGMNLLEKA-BRWVUGGUSA-N 1 3 361.494 0.792 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC001552954956 1268569027 /nfs/dbraw/zinc/56/90/27/1268569027.db2.gz PHTHSZQPGMDJSC-HNNXBMFYSA-N 1 3 351.495 0.644 20 0 FCADHO CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001552957512 1268569660 /nfs/dbraw/zinc/56/96/60/1268569660.db2.gz JVSKTQKDEPQMQG-GJZGRUSLSA-N 1 3 351.495 0.642 20 0 FCADHO CN1CCN(CCNC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)CC1(C)C ZINC001553482679 1268658165 /nfs/dbraw/zinc/65/81/65/1268658165.db2.gz VKCBXNPCIBXWIX-OAHLLOKOSA-N 1 3 353.511 0.162 20 0 FCADHO O=C(N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553503102 1268660098 /nfs/dbraw/zinc/66/00/98/1268660098.db2.gz MRIGJKGSAVAEJJ-BRSBDYLESA-N 1 3 366.506 0.384 20 0 FCADHO C[C@H]1C[NH2+]C[C@@H]1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001553525242 1268663891 /nfs/dbraw/zinc/66/38/91/1268663891.db2.gz GXGHPHQTUMCWEW-LSDHHAIUSA-N 1 3 351.495 0.357 20 0 FCADHO C[C@@H]1CN(C[C@@H](O)COC2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001341389778 1268968007 /nfs/dbraw/zinc/96/80/07/1268968007.db2.gz XKVJHUBRJNHIBN-LMMKCTJWSA-N 1 3 355.523 0.501 20 0 FCADHO C[C@@H]1CN(C[C@H](O)COC2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001341389777 1268968058 /nfs/dbraw/zinc/96/80/58/1268968058.db2.gz XKVJHUBRJNHIBN-AOIWGVFYSA-N 1 3 355.523 0.501 20 0 FCADHO CCN(CCN[C@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743964 1269747693 /nfs/dbraw/zinc/74/76/93/1269747693.db2.gz WBAIOPGIHHNXCD-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO CCN(CCN[C@H](C)C(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568743964 1269747697 /nfs/dbraw/zinc/74/76/97/1269747697.db2.gz WBAIOPGIHHNXCD-UMVBOHGHSA-N 1 3 367.494 0.141 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](O)[C@H](CO)C3)CC2)CC1 ZINC001570401648 1269876435 /nfs/dbraw/zinc/87/64/35/1269876435.db2.gz KNWVEBJHMIZXNH-FUHWJXTLSA-N 1 3 353.507 0.384 20 0 FCADHO C[C@H]1c2nncn2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001343558593 1269946919 /nfs/dbraw/zinc/94/69/19/1269946919.db2.gz DKUFAUOJUFDEEA-AWEZNQCLSA-N 1 3 361.494 0.923 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O)N(C)C ZINC001572838505 1270228131 /nfs/dbraw/zinc/22/81/31/1270228131.db2.gz XGDWGDXZCAXIPD-OWCLPIDISA-N 1 3 368.522 0.279 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1)N(C)C ZINC001573396797 1270772009 /nfs/dbraw/zinc/77/20/09/1270772009.db2.gz KZLIPEKNHJSGNK-IKGGRYGDSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@H](C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574781073 1271513374 /nfs/dbraw/zinc/51/33/74/1271513374.db2.gz HAAAKDJXRHUHEX-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574781073 1271513381 /nfs/dbraw/zinc/51/33/81/1271513381.db2.gz HAAAKDJXRHUHEX-GFCCVEGCSA-N 1 3 363.441 0.894 20 0 FCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574854312 1271605763 /nfs/dbraw/zinc/60/57/63/1271605763.db2.gz KZTUXMVOPODFLM-GFCCVEGCSA-N 1 3 373.436 0.696 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574854137 1271605927 /nfs/dbraw/zinc/60/59/27/1271605927.db2.gz ISDPLDJSGNXLMZ-LBPRGKRZSA-N 1 3 373.436 0.696 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877297 1271636850 /nfs/dbraw/zinc/63/68/50/1271636850.db2.gz QUKRLZYZGHUSRO-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574877297 1271636855 /nfs/dbraw/zinc/63/68/55/1271636855.db2.gz QUKRLZYZGHUSRO-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877297 1271636860 /nfs/dbraw/zinc/63/68/60/1271636860.db2.gz QUKRLZYZGHUSRO-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574877297 1271636863 /nfs/dbraw/zinc/63/68/63/1271636863.db2.gz QUKRLZYZGHUSRO-AAEUAGOBSA-N 1 3 361.425 0.552 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575114891 1271726014 /nfs/dbraw/zinc/72/60/14/1271726014.db2.gz KZYUKBOEUHJBIM-AWEZNQCLSA-N 1 3 369.473 0.899 20 0 FCADHO C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575114891 1271726018 /nfs/dbraw/zinc/72/60/18/1271726018.db2.gz KZYUKBOEUHJBIM-AWEZNQCLSA-N 1 3 369.473 0.899 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485429 1273331555 /nfs/dbraw/zinc/33/15/55/1273331555.db2.gz LTDOOSQQYJMWCD-GDBMZVCRSA-N 1 3 350.467 0.244 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@H](CNCc3c[nH]nn3)C2)C1 ZINC001576485429 1273331561 /nfs/dbraw/zinc/33/15/61/1273331561.db2.gz LTDOOSQQYJMWCD-GDBMZVCRSA-N 1 3 350.467 0.244 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001576839705 1273776110 /nfs/dbraw/zinc/77/61/10/1273776110.db2.gz UBLILBYDOLZBKD-HZPDHXFCSA-N 1 3 350.467 0.386 20 0 FCADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001576839705 1273776116 /nfs/dbraw/zinc/77/61/16/1273776116.db2.gz UBLILBYDOLZBKD-HZPDHXFCSA-N 1 3 350.467 0.386 20 0 FCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCc3cn[nH]n3)C2)CC1 ZINC001577758387 1274840283 /nfs/dbraw/zinc/84/02/83/1274840283.db2.gz LSVZNGOZIMXKMV-KRWDZBQOSA-N 1 3 358.490 0.613 20 0 FCADHO CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001577770668 1274856058 /nfs/dbraw/zinc/85/60/58/1274856058.db2.gz MYAFKHOOOKOVGT-IYOUNJFTSA-N 1 3 361.494 0.438 20 0 FCADHO O=C(NC[C@H]1CN(CCc2cn[nH]n2)CCCO1)C12CCC[NH+]1CCC2 ZINC001578002399 1275259321 /nfs/dbraw/zinc/25/93/21/1275259321.db2.gz WOADLVHQWWAIDA-INIZCTEOSA-N 1 3 362.478 0.183 20 0 FCADHO COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001578841182 1276359993 /nfs/dbraw/zinc/35/99/93/1276359993.db2.gz XRQDPXNALMWXEC-OBQMCUGOSA-N 1 3 355.454 0.938 20 0 FCADHO COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)NC[C@H]1CCN1C1CCCC1)C2 ZINC001578843468 1276363569 /nfs/dbraw/zinc/36/35/69/1276363569.db2.gz VGZMPECTWZRDAD-QHHYFVSCSA-N 1 3 364.490 0.925 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001578976154 1276526222 /nfs/dbraw/zinc/52/62/22/1276526222.db2.gz PHJYBNITDHGKJT-INIZCTEOSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001578976218 1276528635 /nfs/dbraw/zinc/52/86/35/1276528635.db2.gz ROIHKDGFMWOETR-MRXNPFEDSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001578976218 1276528640 /nfs/dbraw/zinc/52/86/40/1276528640.db2.gz ROIHKDGFMWOETR-MRXNPFEDSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001578990500 1276563485 /nfs/dbraw/zinc/56/34/85/1276563485.db2.gz DBQYGPVRNRBNMZ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001578990500 1276563491 /nfs/dbraw/zinc/56/34/91/1276563491.db2.gz DBQYGPVRNRBNMZ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001578990500 1276563497 /nfs/dbraw/zinc/56/34/97/1276563497.db2.gz DBQYGPVRNRBNMZ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001578990500 1276563501 /nfs/dbraw/zinc/56/35/01/1276563501.db2.gz DBQYGPVRNRBNMZ-VQFNDLOPSA-N 1 3 369.473 0.755 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578991244 1276566006 /nfs/dbraw/zinc/56/60/06/1276566006.db2.gz RQEINBSRSRGAIS-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578991244 1276566012 /nfs/dbraw/zinc/56/60/12/1276566012.db2.gz RQEINBSRSRGAIS-IYBDPMFKSA-N 1 3 357.462 0.945 20 0 FCADHO COCCN(C)CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOC[C@H]1C ZINC001579020443 1276598936 /nfs/dbraw/zinc/59/89/36/1276598936.db2.gz CFHMHGMCFBZJFP-CVEARBPZSA-N 1 3 366.510 0.548 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326822 1277153011 /nfs/dbraw/zinc/15/30/11/1277153011.db2.gz MUYAKKOZHLDLQR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579326822 1277153012 /nfs/dbraw/zinc/15/30/12/1277153012.db2.gz MUYAKKOZHLDLQR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326822 1277153013 /nfs/dbraw/zinc/15/30/13/1277153013.db2.gz MUYAKKOZHLDLQR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579326822 1277153014 /nfs/dbraw/zinc/15/30/14/1277153014.db2.gz MUYAKKOZHLDLQR-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333364 1277167693 /nfs/dbraw/zinc/16/76/93/1277167693.db2.gz QEHDLNDTLBMGSE-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001579333364 1277167694 /nfs/dbraw/zinc/16/76/94/1277167694.db2.gz QEHDLNDTLBMGSE-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333364 1277167696 /nfs/dbraw/zinc/16/76/96/1277167696.db2.gz QEHDLNDTLBMGSE-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001579333364 1277167698 /nfs/dbraw/zinc/16/76/98/1277167698.db2.gz QEHDLNDTLBMGSE-WBVHZDCISA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335802 1277178066 /nfs/dbraw/zinc/17/80/66/1277178066.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335802 1277178069 /nfs/dbraw/zinc/17/80/69/1277178069.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335802 1277178070 /nfs/dbraw/zinc/17/80/70/1277178070.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579335802 1277178072 /nfs/dbraw/zinc/17/80/72/1277178072.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335802 1277178075 /nfs/dbraw/zinc/17/80/75/1277178075.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335802 1277178079 /nfs/dbraw/zinc/17/80/79/1277178079.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335802 1277178081 /nfs/dbraw/zinc/17/80/81/1277178081.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579335802 1277178083 /nfs/dbraw/zinc/17/80/83/1277178083.db2.gz VLRRCDSXHOTVLN-NVXWUHKLSA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579347294 1277201394 /nfs/dbraw/zinc/20/13/94/1277201394.db2.gz AHODPUPLNZKFFU-FVQBIDKESA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579347294 1277201395 /nfs/dbraw/zinc/20/13/95/1277201395.db2.gz AHODPUPLNZKFFU-FVQBIDKESA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579347294 1277201396 /nfs/dbraw/zinc/20/13/96/1277201396.db2.gz AHODPUPLNZKFFU-FVQBIDKESA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579347294 1277201397 /nfs/dbraw/zinc/20/13/97/1277201397.db2.gz AHODPUPLNZKFFU-FVQBIDKESA-N 1 3 369.473 0.945 20 0 FCADHO CS[C@H]1CN(C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H]1N1CCCC1 ZINC001579370485 1277253048 /nfs/dbraw/zinc/25/30/48/1277253048.db2.gz QXLPOTBQFIZYJN-GJZGRUSLSA-N 1 3 352.508 0.669 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC001580258853 1278058157 /nfs/dbraw/zinc/05/81/57/1278058157.db2.gz ZWYUGYYIFJOFMK-CABCVRRESA-N 1 3 351.495 0.629 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580279462 1278076873 /nfs/dbraw/zinc/07/68/73/1278076873.db2.gz UDMSMQJPBZECLE-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580279462 1278076881 /nfs/dbraw/zinc/07/68/81/1278076881.db2.gz UDMSMQJPBZECLE-ZDUSSCGKSA-N 1 3 357.462 0.803 20 0 FCADHO Cc1cc(N[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580991131 1279193478 /nfs/dbraw/zinc/19/34/78/1279193478.db2.gz LDAYBARKXMOBOX-XJKSGUPXSA-N 1 3 374.493 0.837 20 0 FCADHO Cc1cc(N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581003675 1279220121 /nfs/dbraw/zinc/22/01/21/1279220121.db2.gz FGXSODPKLSIYJQ-XJKSGUPXSA-N 1 3 372.477 0.591 20 0 FCADHO Cc1cc(NC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024949 1279256448 /nfs/dbraw/zinc/25/64/48/1279256448.db2.gz LOWSZDMPNHIBHP-FYCOFBDGSA-N 1 3 372.477 0.663 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)ccn2)C[C@H]1C[NH+](C)C ZINC001591021404 1284078220 /nfs/dbraw/zinc/07/82/20/1284078220.db2.gz NMPZCACVWIBOQT-ZIAGYGMSSA-N 1 3 358.450 0.073 20 0 FCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)ccn2)C[C@H]1C[NH+](C)C ZINC001591021404 1284078230 /nfs/dbraw/zinc/07/82/30/1284078230.db2.gz NMPZCACVWIBOQT-ZIAGYGMSSA-N 1 3 358.450 0.073 20 0 FCADHO C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071138 1284132051 /nfs/dbraw/zinc/13/20/51/1284132051.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071138 1284132053 /nfs/dbraw/zinc/13/20/53/1284132053.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071138 1284132059 /nfs/dbraw/zinc/13/20/59/1284132059.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nnn[n-]1 ZINC001591071138 1284132065 /nfs/dbraw/zinc/13/20/65/1284132065.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071138 1284132072 /nfs/dbraw/zinc/13/20/72/1284132072.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071138 1284132078 /nfs/dbraw/zinc/13/20/78/1284132078.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071138 1284132084 /nfs/dbraw/zinc/13/20/84/1284132084.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1-c1nn[n-]n1 ZINC001591071138 1284132089 /nfs/dbraw/zinc/13/20/89/1284132089.db2.gz ODCVAVNPXGYBCD-OAHLLOKOSA-N 1 3 357.462 0.757 20 0 FCADHO CN(CCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001591083808 1284152481 /nfs/dbraw/zinc/15/24/81/1284152481.db2.gz FNBQHOROMMFHDY-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO CN(CCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001591083808 1284152490 /nfs/dbraw/zinc/15/24/90/1284152490.db2.gz FNBQHOROMMFHDY-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591176643 1284271707 /nfs/dbraw/zinc/27/17/07/1284271707.db2.gz SCPYMBXNVQHZCQ-HNNXBMFYSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001591176643 1284271717 /nfs/dbraw/zinc/27/17/17/1284271717.db2.gz SCPYMBXNVQHZCQ-HNNXBMFYSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591176643 1284271726 /nfs/dbraw/zinc/27/17/26/1284271726.db2.gz SCPYMBXNVQHZCQ-HNNXBMFYSA-N 1 3 357.462 0.804 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001591176643 1284271736 /nfs/dbraw/zinc/27/17/36/1284271736.db2.gz SCPYMBXNVQHZCQ-HNNXBMFYSA-N 1 3 357.462 0.804 20 0 FCADHO COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001591561564 1284735783 /nfs/dbraw/zinc/73/57/83/1284735783.db2.gz JGPGOUSKDAQPGT-CYBMUJFWSA-N 1 3 373.461 0.423 20 0 FCADHO COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001591561564 1284735794 /nfs/dbraw/zinc/73/57/94/1284735794.db2.gz JGPGOUSKDAQPGT-CYBMUJFWSA-N 1 3 373.461 0.423 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC001591757563 1284885865 /nfs/dbraw/zinc/88/58/65/1284885865.db2.gz SMZVRDLXJMQBMF-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC001591757563 1284885871 /nfs/dbraw/zinc/88/58/71/1284885871.db2.gz SMZVRDLXJMQBMF-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC001591757563 1284885883 /nfs/dbraw/zinc/88/58/83/1284885883.db2.gz SMZVRDLXJMQBMF-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC001591757563 1284885891 /nfs/dbraw/zinc/88/58/91/1284885891.db2.gz SMZVRDLXJMQBMF-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@@H]1O ZINC001702392433 1285626548 /nfs/dbraw/zinc/62/65/48/1285626548.db2.gz VNJWLGUXPRVLPU-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@@H]1O ZINC001702392433 1285626555 /nfs/dbraw/zinc/62/65/55/1285626555.db2.gz VNJWLGUXPRVLPU-ZACQAIPSSA-N 1 3 368.522 0.279 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C12CC[NH+](CC1)C2 ZINC001593073323 1285968519 /nfs/dbraw/zinc/96/85/19/1285968519.db2.gz NECYYDRLWYWJEG-UHFFFAOYSA-N 1 3 355.446 0.558 20 0 FCADHO O=C(NCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C12CC[NH+](CC1)C2 ZINC001593073323 1285968526 /nfs/dbraw/zinc/96/85/26/1285968526.db2.gz NECYYDRLWYWJEG-UHFFFAOYSA-N 1 3 355.446 0.558 20 0 FCADHO CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001719238848 1287927376 /nfs/dbraw/zinc/92/73/76/1287927376.db2.gz GAZBQQZWJVZLHM-ZACQAIPSSA-N 1 3 368.522 0.256 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001719331466 1288096944 /nfs/dbraw/zinc/09/69/44/1288096944.db2.gz AWORMBKZEUKIDT-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001719331466 1288096947 /nfs/dbraw/zinc/09/69/47/1288096947.db2.gz AWORMBKZEUKIDT-HZPDHXFCSA-N 1 3 350.507 0.872 20 0 FCADHO [NH3+]CCCOCC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606437118 1288316409 /nfs/dbraw/zinc/31/64/09/1288316409.db2.gz GVHAILLGBBASRS-UHFFFAOYSA-N 1 3 359.478 0.786 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(CCNC(=O)C4CC4)C3)C2)CC[N@@H+]1C ZINC001733296896 1288607619 /nfs/dbraw/zinc/60/76/19/1288607619.db2.gz UOUHOXOFRUIDDS-WRWLIDTKSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(CCNC(=O)C4CC4)C3)C2)CC[N@H+]1C ZINC001733296896 1288607623 /nfs/dbraw/zinc/60/76/23/1288607623.db2.gz UOUHOXOFRUIDDS-WRWLIDTKSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001691917941 1289342964 /nfs/dbraw/zinc/34/29/64/1289342964.db2.gz UNQIIWRKYJSMQK-YESZJQIVSA-N 1 3 350.507 0.825 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001692080794 1289385652 /nfs/dbraw/zinc/38/56/52/1289385652.db2.gz QHRAOLFKRCRJSH-CVEARBPZSA-N 1 3 364.490 0.258 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001692080794 1289385661 /nfs/dbraw/zinc/38/56/61/1289385661.db2.gz QHRAOLFKRCRJSH-CVEARBPZSA-N 1 3 364.490 0.258 20 0 FCADHO COCC[N@H+](C)CCn1c(C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001698026991 1289521827 /nfs/dbraw/zinc/52/18/27/1289521827.db2.gz JRYAUJOXKKNTIF-KRWDZBQOSA-N 1 3 366.510 0.323 20 0 FCADHO COCC[N@@H+](C)CCn1c(C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001698026991 1289521833 /nfs/dbraw/zinc/52/18/33/1289521833.db2.gz JRYAUJOXKKNTIF-KRWDZBQOSA-N 1 3 366.510 0.323 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001698720669 1289533871 /nfs/dbraw/zinc/53/38/71/1289533871.db2.gz CAOMJVKVNFRDKV-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCCC2CCN([C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001698720669 1289533874 /nfs/dbraw/zinc/53/38/74/1289533874.db2.gz CAOMJVKVNFRDKV-DJIMGWMZSA-N 1 3 350.507 0.824 20 0 FCADHO CCCNC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699578254 1289558593 /nfs/dbraw/zinc/55/85/93/1289558593.db2.gz YXXPNNDUCWXQQS-BPLDGKMQSA-N 1 3 367.494 0.047 20 0 FCADHO CCCNC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699578254 1289558598 /nfs/dbraw/zinc/55/85/98/1289558598.db2.gz YXXPNNDUCWXQQS-BPLDGKMQSA-N 1 3 367.494 0.047 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001739136294 1289814342 /nfs/dbraw/zinc/81/43/42/1289814342.db2.gz KPGLNMJVFNEFIX-RKHAHWSXSA-N 1 3 350.507 0.917 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001739136294 1289814355 /nfs/dbraw/zinc/81/43/55/1289814355.db2.gz KPGLNMJVFNEFIX-RKHAHWSXSA-N 1 3 350.507 0.917 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3nc(C(N)=O)cs3)CC2)CC1 ZINC001665361747 1291852460 /nfs/dbraw/zinc/85/24/60/1291852460.db2.gz NJUCOTKMFOOZAB-UHFFFAOYSA-N 1 3 366.491 0.922 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001672416017 1292080370 /nfs/dbraw/zinc/08/03/70/1292080370.db2.gz BAUPHRYHCIPDSE-WCXIOVBPSA-N 1 3 350.507 0.585 20 0 FCADHO CCN(CC)C(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001672416017 1292080378 /nfs/dbraw/zinc/08/03/78/1292080378.db2.gz BAUPHRYHCIPDSE-WCXIOVBPSA-N 1 3 350.507 0.585 20 0 FCADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N[C@H]1CCCN(CCCO)C1 ZINC001679408580 1292303536 /nfs/dbraw/zinc/30/35/36/1292303536.db2.gz DETROLLMSQJOAP-AEFFLSMTSA-N 1 3 368.522 0.633 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)NCc2ccco2)C2CC2)CC[N@@H+]1C ZINC001690151758 1294859427 /nfs/dbraw/zinc/85/94/27/1294859427.db2.gz SBFJISRAVJBHFX-XYPHTWIQSA-N 1 3 362.474 0.720 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)NCc2ccco2)C2CC2)CC[N@H+]1C ZINC001690151758 1294859436 /nfs/dbraw/zinc/85/94/36/1294859436.db2.gz SBFJISRAVJBHFX-XYPHTWIQSA-N 1 3 362.474 0.720 20 0 FCADHO CNC(=O)CN1CCCC12CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164683755 719723477 /nfs/dbraw/zinc/72/34/77/719723477.db2.gz GCKJCQQUBLBMSY-UHFFFAOYSA-N 1 3 373.505 0.067 20 0 FCADHO c1ncc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)cn1 ZINC001164741519 720609968 /nfs/dbraw/zinc/60/99/68/720609968.db2.gz LIMZNRLFWRFZFL-LSDHHAIUSA-N 1 3 367.457 0.297 20 0 FCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739092 720632313 /nfs/dbraw/zinc/63/23/13/720632313.db2.gz DYHDSTZJTBWROL-HZPDHXFCSA-N 1 3 352.442 0.859 20 0 FCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2c1C[NH2+]CC2 ZINC001164739090 720633642 /nfs/dbraw/zinc/63/36/42/720633642.db2.gz DYHDSTZJTBWROL-CVEARBPZSA-N 1 3 352.442 0.859 20 0 FCADHO c1ncc(O[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164744161 720730660 /nfs/dbraw/zinc/73/06/60/720730660.db2.gz RIGJFWRLKIUBIS-HUUCEWRRSA-N 1 3 353.430 0.254 20 0 FCADHO Cc1nc(N(C)C)cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164748780 720946760 /nfs/dbraw/zinc/94/67/60/720946760.db2.gz CRTDUWUIXHABMB-UHFFFAOYSA-N 1 3 373.461 0.693 20 0 FCADHO Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)C[C@@H]3C2)cn1 ZINC001164766406 721075308 /nfs/dbraw/zinc/07/53/08/721075308.db2.gz KETJVTAKDSZUGX-IRXDYDNUSA-N 1 3 367.501 0.857 20 0 FCADHO CN1CCN(c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)CC1 ZINC001165053805 722008785 /nfs/dbraw/zinc/00/87/85/722008785.db2.gz LRULXWHGWPPPPI-UHFFFAOYSA-N 1 3 367.501 0.988 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001070807505 837682306 /nfs/dbraw/zinc/68/23/06/837682306.db2.gz XZDUBAMGVCQDKY-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001070807505 837682314 /nfs/dbraw/zinc/68/23/14/837682314.db2.gz XZDUBAMGVCQDKY-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)N(C)C ZINC001071064191 837722395 /nfs/dbraw/zinc/72/23/95/837722395.db2.gz HYBNLMRIWIPZCS-PVAVHDDUSA-N 1 3 354.495 0.044 20 0 FCADHO CCN1CCN(CCC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000747566696 836249358 /nfs/dbraw/zinc/24/93/58/836249358.db2.gz FAQKLSQOEQAEOC-FGTMMUONSA-N 1 3 352.523 0.724 20 0 FCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341203 844151723 /nfs/dbraw/zinc/15/17/23/844151723.db2.gz APDJGHWNBJMEOM-DAYGRLMNSA-N 1 3 350.507 0.585 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101418474 844180063 /nfs/dbraw/zinc/18/00/63/844180063.db2.gz TZYHEKKJBCKUAQ-APWZRJJASA-N 1 3 350.507 0.635 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101418474 844180072 /nfs/dbraw/zinc/18/00/72/844180072.db2.gz TZYHEKKJBCKUAQ-APWZRJJASA-N 1 3 350.507 0.635 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001061621581 836701274 /nfs/dbraw/zinc/70/12/74/836701274.db2.gz ZEYHRJNALVSMNF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO CCCN(C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001061621581 836701277 /nfs/dbraw/zinc/70/12/77/836701277.db2.gz ZEYHRJNALVSMNF-BZUAXINKSA-N 1 3 354.495 0.012 20 0 FCADHO O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219796 838822690 /nfs/dbraw/zinc/82/26/90/838822690.db2.gz YQPZXLPDRRPMDT-GVDBMIGSSA-N 1 3 351.491 0.450 20 0 FCADHO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044701 844394844 /nfs/dbraw/zinc/39/48/44/844394844.db2.gz AXZMPEAHBZXHFL-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102044701 844394853 /nfs/dbraw/zinc/39/48/53/844394853.db2.gz AXZMPEAHBZXHFL-HZPDHXFCSA-N 1 3 350.507 0.777 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@H]2O)CC1 ZINC001077618407 839072810 /nfs/dbraw/zinc/07/28/10/839072810.db2.gz HPMHYTUBHQFIBV-KZNAEPCWSA-N 1 3 353.507 0.431 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1C)N(C)C ZINC001102087974 844408585 /nfs/dbraw/zinc/40/85/85/844408585.db2.gz FWMNTRWKKNEHBW-KBRIMQKVSA-N 1 3 350.511 0.919 20 0 FCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1C)N(C)C ZINC001102087974 844408592 /nfs/dbraw/zinc/40/85/92/844408592.db2.gz FWMNTRWKKNEHBW-KBRIMQKVSA-N 1 3 350.511 0.919 20 0 FCADHO O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978802 839266124 /nfs/dbraw/zinc/26/61/24/839266124.db2.gz OZIPQXZNBOUONV-CGTJXYLNSA-N 1 3 351.491 0.306 20 0 FCADHO COCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171418 844434032 /nfs/dbraw/zinc/43/40/32/844434032.db2.gz WXTLQVYOYARWPI-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO COCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171418 844434036 /nfs/dbraw/zinc/43/40/36/844434036.db2.gz WXTLQVYOYARWPI-QCZOYZIOSA-N 1 3 351.491 0.570 20 0 FCADHO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289838 844459889 /nfs/dbraw/zinc/45/98/89/844459889.db2.gz TVXYSFXPZRLPDZ-OWCLPIDISA-N 1 3 371.547 0.447 20 0 FCADHO CCN1CC[C@@H](N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102290708 844460128 /nfs/dbraw/zinc/46/01/28/844460128.db2.gz RSJXZRYIYZXKOT-BZUAXINKSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314682 844464792 /nfs/dbraw/zinc/46/47/92/844464792.db2.gz VFLOGGGEXCWKEN-IAGOWNOFSA-N 1 3 352.523 0.881 20 0 FCADHO C[C@@H]1CN(CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318590 844466387 /nfs/dbraw/zinc/46/63/87/844466387.db2.gz ACVGYXZPYGGYSN-OWCLPIDISA-N 1 3 359.536 0.447 20 0 FCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497418 844531058 /nfs/dbraw/zinc/53/10/58/844531058.db2.gz RXVKBIAHEDAENV-ARFHVFGLSA-N 1 3 361.552 0.693 20 0 FCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102497418 844531059 /nfs/dbraw/zinc/53/10/59/844531059.db2.gz RXVKBIAHEDAENV-ARFHVFGLSA-N 1 3 361.552 0.693 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082447677 840415488 /nfs/dbraw/zinc/41/54/88/840415488.db2.gz JRMIUPSSEMKSLL-BRWVUGGUSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082562099 840466574 /nfs/dbraw/zinc/46/65/74/840466574.db2.gz NRKUHBXHZJJRIC-BFYDXBDKSA-N 1 3 371.547 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082608359 840491337 /nfs/dbraw/zinc/49/13/37/840491337.db2.gz SZPICMZYGJLJKQ-FVQBIDKESA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082608359 840491347 /nfs/dbraw/zinc/49/13/47/840491347.db2.gz SZPICMZYGJLJKQ-FVQBIDKESA-N 1 3 350.507 0.964 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102524991 844552739 /nfs/dbraw/zinc/55/27/39/844552739.db2.gz HDIZIHRTFOAGDB-BRWVUGGUSA-N 1 3 359.511 0.036 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001102524991 844552745 /nfs/dbraw/zinc/55/27/45/844552745.db2.gz HDIZIHRTFOAGDB-BRWVUGGUSA-N 1 3 359.511 0.036 20 0 FCADHO C[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CC[C@H]4CCCO4)C[C@@H]32)CC1 ZINC001083182959 840779929 /nfs/dbraw/zinc/77/99/29/840779929.db2.gz GIYQMLMLHRGLHB-FGTMMUONSA-N 1 3 351.491 0.809 20 0 FCADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599165 844588579 /nfs/dbraw/zinc/58/85/79/844588579.db2.gz RVBRTVKCJBKTRW-ZACQAIPSSA-N 1 3 350.507 0.777 20 0 FCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001083523347 841120806 /nfs/dbraw/zinc/12/08/06/841120806.db2.gz ZPRXWSIMNPIUAZ-KURKYZTESA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@H]1CCCN1C1CCOCC1 ZINC001083523347 841120811 /nfs/dbraw/zinc/12/08/11/841120811.db2.gz ZPRXWSIMNPIUAZ-KURKYZTESA-N 1 3 351.491 0.591 20 0 FCADHO O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602164 841221524 /nfs/dbraw/zinc/22/15/24/841221524.db2.gz HQGQLUHMAQCKRY-SJORKVTESA-N 1 3 351.491 0.593 20 0 FCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001083908410 841555618 /nfs/dbraw/zinc/55/56/18/841555618.db2.gz BIXZQOFKGXMMKF-KSZLIROESA-N 1 3 353.507 0.837 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1cnns1 ZINC001087059687 842255564 /nfs/dbraw/zinc/25/55/64/842255564.db2.gz QANPKFIIYNIIGJ-BMFZPTHFSA-N 1 3 367.519 0.831 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087062681 842259223 /nfs/dbraw/zinc/25/92/23/842259223.db2.gz QGTXYAHZAHBRHM-BPLDGKMQSA-N 1 3 355.508 0.831 20 0 FCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064570 842521807 /nfs/dbraw/zinc/52/18/07/842521807.db2.gz KXHOIQRWQBOWCV-PMPSAXMXSA-N 1 3 350.507 0.905 20 0 FCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211966 842562683 /nfs/dbraw/zinc/56/26/83/842562683.db2.gz IIPLVONKUXKJIS-IKGGRYGDSA-N 1 3 350.507 0.907 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001092022496 843143225 /nfs/dbraw/zinc/14/32/25/843143225.db2.gz WRCSDSBVFKUHDE-VKJFTORMSA-N 1 3 351.495 0.132 20 0 FCADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001092022496 843143227 /nfs/dbraw/zinc/14/32/27/843143227.db2.gz WRCSDSBVFKUHDE-VKJFTORMSA-N 1 3 351.495 0.132 20 0 FCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907220 843336067 /nfs/dbraw/zinc/33/60/67/843336067.db2.gz YSGRDOLUUVQFGJ-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)C1 ZINC001092907220 843336073 /nfs/dbraw/zinc/33/60/73/843336073.db2.gz YSGRDOLUUVQFGJ-BRWVUGGUSA-N 1 3 352.523 0.881 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001095531789 843736311 /nfs/dbraw/zinc/73/63/11/843736311.db2.gz SBPFGLTVEPBBMY-VSZNYVQBSA-N 1 3 351.491 0.734 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001095531789 843736315 /nfs/dbraw/zinc/73/63/15/843736315.db2.gz SBPFGLTVEPBBMY-VSZNYVQBSA-N 1 3 351.491 0.734 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001095531788 843736429 /nfs/dbraw/zinc/73/64/29/843736429.db2.gz SBPFGLTVEPBBMY-OWSLCNJRSA-N 1 3 351.491 0.734 20 0 FCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001095531788 843736439 /nfs/dbraw/zinc/73/64/39/843736439.db2.gz SBPFGLTVEPBBMY-OWSLCNJRSA-N 1 3 351.491 0.734 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)OC3(CCN(CCO)CC3)C2)CC[N@@H+]1C ZINC001098603711 843927784 /nfs/dbraw/zinc/92/77/84/843927784.db2.gz VNJFHUJASKUULQ-YESZJQIVSA-N 1 3 353.507 0.791 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)OC3(CCN(CCO)CC3)C2)CC[N@H+]1C ZINC001098603711 843927786 /nfs/dbraw/zinc/92/77/86/843927786.db2.gz VNJFHUJASKUULQ-YESZJQIVSA-N 1 3 353.507 0.791 20 0 FCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994324 844681673 /nfs/dbraw/zinc/68/16/73/844681673.db2.gz YKKNMEBCIJHZEE-OIISXLGYSA-N 1 3 350.507 0.539 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001103140297 844706561 /nfs/dbraw/zinc/70/65/61/844706561.db2.gz XGDADOHWURZXJL-DJIMGWMZSA-N 1 3 352.523 0.927 20 0 FCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C)N(C)C ZINC001103140297 844706570 /nfs/dbraw/zinc/70/65/70/844706570.db2.gz XGDADOHWURZXJL-DJIMGWMZSA-N 1 3 352.523 0.927 20 0 FCADHO COCCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398217 844750988 /nfs/dbraw/zinc/75/09/88/844750988.db2.gz IMXWVMLQIVBXMJ-HZPDHXFCSA-N 1 3 356.511 0.165 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C)N(C)C ZINC001103407874 844752863 /nfs/dbraw/zinc/75/28/63/844752863.db2.gz YMCBEZUGQWEXSG-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C)N(C)C ZINC001103407874 844752867 /nfs/dbraw/zinc/75/28/67/844752867.db2.gz YMCBEZUGQWEXSG-JFIYKMOQSA-N 1 3 352.523 0.879 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103644456 844793638 /nfs/dbraw/zinc/79/36/38/844793638.db2.gz AJZZPFMDWSQHPT-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103644456 844793644 /nfs/dbraw/zinc/79/36/44/844793644.db2.gz AJZZPFMDWSQHPT-BZUAXINKSA-N 1 3 350.507 0.681 20 0 FCADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@@H]1COC(C)(C)O1)C2 ZINC001276617199 861502675 /nfs/dbraw/zinc/50/26/75/861502675.db2.gz HZDODYZSGCYHMC-QAPCUYQASA-N 1 3 355.479 0.250 20 0 FCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001104729185 844935123 /nfs/dbraw/zinc/93/51/23/844935123.db2.gz QATVQGRLUZTKRX-RBSFLKMASA-N 1 3 368.503 0.461 20 0 FCADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832436 844948882 /nfs/dbraw/zinc/94/88/82/844948882.db2.gz AQQJEEREMNWKQP-IAGOWNOFSA-N 1 3 352.523 0.929 20 0 FCADHO Cc1nnsc1CNCC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908429 844958721 /nfs/dbraw/zinc/95/87/21/844958721.db2.gz WRWPREDVQNFKJJ-UKRRQHHQSA-N 1 3 369.535 0.999 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)N(C)C ZINC001106281830 845147131 /nfs/dbraw/zinc/14/71/31/845147131.db2.gz GCPVCUSNYAYVHG-OAGGEKHMSA-N 1 3 353.511 0.282 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106339954 845159046 /nfs/dbraw/zinc/15/90/46/845159046.db2.gz GYGMOMVLBAWPLL-MGPQQGTHSA-N 1 3 352.479 0.206 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106662892 845217481 /nfs/dbraw/zinc/21/74/81/845217481.db2.gz IUMXCIONLVAZME-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106665319 845218427 /nfs/dbraw/zinc/21/84/27/845218427.db2.gz SEDDJCFVTSWMCH-IXDOHACOSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001106672238 845222110 /nfs/dbraw/zinc/22/21/10/845222110.db2.gz MBMVBCYCKRMGRX-HUUCEWRRSA-N 1 3 350.511 0.977 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1)N(C)C ZINC001106674532 845223382 /nfs/dbraw/zinc/22/33/82/845223382.db2.gz ZGXGOZKQWZHAJX-MCIONIFRSA-N 1 3 351.451 0.637 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001106910921 845284553 /nfs/dbraw/zinc/28/45/53/845284553.db2.gz VRDORIMGBPQGQO-BZUAXINKSA-N 1 3 359.536 0.447 20 0 FCADHO CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438705 845373272 /nfs/dbraw/zinc/37/32/72/845373272.db2.gz HJPGHHSFZVLELX-SZVBFZGTSA-N 1 3 350.507 0.824 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001111233946 846066284 /nfs/dbraw/zinc/06/62/84/846066284.db2.gz YOWZSYRXWUGRTC-ZACQAIPSSA-N 1 3 354.495 0.202 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001111233946 846066291 /nfs/dbraw/zinc/06/62/91/846066291.db2.gz YOWZSYRXWUGRTC-ZACQAIPSSA-N 1 3 354.495 0.202 20 0 FCADHO CCOC(=O)C[C@H](O)CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276830008 861644143 /nfs/dbraw/zinc/64/41/43/861644143.db2.gz ZWZMUYDLYGVMLP-HNNXBMFYSA-N 1 3 355.479 0.177 20 0 FCADHO CC(C)[N@@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276848884 861652416 /nfs/dbraw/zinc/65/24/16/861652416.db2.gz LCTZWAPCVYVCLU-LJQANCHMSA-N 1 3 352.523 0.583 20 0 FCADHO CC(C)[N@H+]1CCOC[C@]2(CC(=O)N(CCCN3CCN(C)CC3)C2)C1 ZINC001276848884 861652419 /nfs/dbraw/zinc/65/24/19/861652419.db2.gz LCTZWAPCVYVCLU-LJQANCHMSA-N 1 3 352.523 0.583 20 0 FCADHO C[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001111984771 846281954 /nfs/dbraw/zinc/28/19/54/846281954.db2.gz OAIKEAWPADJXKQ-BQFCYCMXSA-N 1 3 371.547 0.734 20 0 FCADHO C[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1)CS(C)(=O)=O ZINC001111984771 846281962 /nfs/dbraw/zinc/28/19/62/846281962.db2.gz OAIKEAWPADJXKQ-BQFCYCMXSA-N 1 3 371.547 0.734 20 0 FCADHO CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CN(C)C(C)C)C2)C1=O ZINC001112009886 846293683 /nfs/dbraw/zinc/29/36/83/846293683.db2.gz YOUXNXVLYHSMTB-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CN(C)C(C)C)C2)C1=O ZINC001112009886 846293686 /nfs/dbraw/zinc/29/36/86/846293686.db2.gz YOUXNXVLYHSMTB-FCEWJHQRSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112124614 846402418 /nfs/dbraw/zinc/40/24/18/846402418.db2.gz ODXRRVZCWNJCFT-JHJVBQTASA-N 1 3 369.428 0.703 20 0 FCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COC)C1 ZINC001112124614 846402423 /nfs/dbraw/zinc/40/24/23/846402423.db2.gz ODXRRVZCWNJCFT-JHJVBQTASA-N 1 3 369.428 0.703 20 0 FCADHO CN(CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)c1cc[nH+]cc1 ZINC001112124493 846402950 /nfs/dbraw/zinc/40/29/50/846402950.db2.gz KBTBYYUIAHBIQD-ZIAGYGMSSA-N 1 3 360.380 0.879 20 0 FCADHO C[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)CC1 ZINC001112158222 846424656 /nfs/dbraw/zinc/42/46/56/846424656.db2.gz YSGHUKQINJBOLL-ZIAGYGMSSA-N 1 3 367.412 0.316 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCOC)C1 ZINC001112190310 846448850 /nfs/dbraw/zinc/44/88/50/846448850.db2.gz VGZBSNDDQOWCSF-ZIAGYGMSSA-N 1 3 369.428 0.970 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCOC)C1 ZINC001112190310 846448857 /nfs/dbraw/zinc/44/88/57/846448857.db2.gz VGZBSNDDQOWCSF-ZIAGYGMSSA-N 1 3 369.428 0.970 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194247 846453236 /nfs/dbraw/zinc/45/32/36/846453236.db2.gz UXDDFOOZHLQSJB-ZIAGYGMSSA-N 1 3 369.428 0.969 20 0 FCADHO C[C@H](O)CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)CO ZINC001116719669 846746353 /nfs/dbraw/zinc/74/63/53/846746353.db2.gz NPMCXQMISHTTGF-GJZGRUSLSA-N 1 3 356.511 0.318 20 0 FCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001117978571 847239157 /nfs/dbraw/zinc/23/91/57/847239157.db2.gz LRPKJKYTYCZRMJ-INIZCTEOSA-N 1 3 350.507 0.969 20 0 FCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001118147570 847296429 /nfs/dbraw/zinc/29/64/29/847296429.db2.gz HQZMIZBONUTTOW-CVEARBPZSA-N 1 3 350.507 0.968 20 0 FCADHO NC1(CNC(=O)C(=O)NC/C=C/Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001120433465 848199542 /nfs/dbraw/zinc/19/95/42/848199542.db2.gz OCYNLWDGIGXSMF-RUDMXATFSA-N 1 3 364.877 0.965 20 0 FCADHO CCN1CCN(CCC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120567620 848246895 /nfs/dbraw/zinc/24/68/95/848246895.db2.gz MMKKLSQKPVNGGR-SFHVURJKSA-N 1 3 369.531 0.741 20 0 FCADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CNCC[NH3+])CC1 ZINC001122009370 848434134 /nfs/dbraw/zinc/43/41/34/848434134.db2.gz NIEDXEYONSCWSN-CQSZACIVSA-N 1 3 351.470 0.693 20 0 FCADHO CC(C)CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660254 848731770 /nfs/dbraw/zinc/73/17/70/848731770.db2.gz STBVZFNYKIPAQJ-HZPDHXFCSA-N 1 3 356.511 0.211 20 0 FCADHO CC(C)CCOCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127660254 848731778 /nfs/dbraw/zinc/73/17/78/848731778.db2.gz STBVZFNYKIPAQJ-HZPDHXFCSA-N 1 3 356.511 0.211 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894607 848910061 /nfs/dbraw/zinc/91/00/61/848910061.db2.gz KUHIWKYQJQXLFY-CVEARBPZSA-N 1 3 350.467 0.140 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007724 848931334 /nfs/dbraw/zinc/93/13/34/848931334.db2.gz SGBAMOPJCMBZII-AGIUHOORSA-N 1 3 362.400 0.912 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130232209 848982521 /nfs/dbraw/zinc/98/25/21/848982521.db2.gz CSMIBDSSRYOODG-KCQAQPDRSA-N 1 3 352.483 0.489 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[n-]1 ZINC001130238027 848985291 /nfs/dbraw/zinc/98/52/91/848985291.db2.gz POMLUZVDIIVTAA-RDBSUJKOSA-N 1 3 350.467 0.387 20 0 FCADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[n-]1 ZINC001130238027 848985296 /nfs/dbraw/zinc/98/52/96/848985296.db2.gz POMLUZVDIIVTAA-RDBSUJKOSA-N 1 3 350.467 0.387 20 0 FCADHO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[n-]1 ZINC001130242425 848986915 /nfs/dbraw/zinc/98/69/15/848986915.db2.gz WLEWGJMRXDPFGN-KBPBESRZSA-N 1 3 352.483 0.635 20 0 FCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001130622153 849021338 /nfs/dbraw/zinc/02/13/38/849021338.db2.gz TXTGNTZFWYQLGL-IJEWVQPXSA-N 1 3 351.495 0.415 20 0 FCADHO CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737155 849030604 /nfs/dbraw/zinc/03/06/04/849030604.db2.gz VEHSNNNMPXYJHV-YQQAZPJKSA-N 1 3 351.495 0.679 20 0 FCADHO C[C@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551185 849270924 /nfs/dbraw/zinc/27/09/24/849270924.db2.gz BCDWYGINLIZJTK-WNRNVDISSA-N 1 3 352.523 0.316 20 0 FCADHO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001142767442 849460646 /nfs/dbraw/zinc/46/06/46/849460646.db2.gz HXHCPNOLFRLVJA-INIZCTEOSA-N 1 3 374.551 0.235 20 0 FCADHO C[NH+]1CCC(CN2CCN(c3cccc(S(N)(=O)=O)n3)CC2)CC1 ZINC001157847977 849999771 /nfs/dbraw/zinc/99/97/71/849999771.db2.gz LJXRGOGEUKSDGP-UHFFFAOYSA-N 1 3 353.492 0.193 20 0 FCADHO N[C@@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CCC2(CC1)OCCO2 ZINC001158076333 850016165 /nfs/dbraw/zinc/01/61/65/850016165.db2.gz FAMRFRJYPMHWDE-OAHLLOKOSA-N 1 3 353.463 0.228 20 0 FCADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001158389410 850045870 /nfs/dbraw/zinc/04/58/70/850045870.db2.gz CWYCSGOSMVQCQX-ZIAGYGMSSA-N 1 3 350.467 0.103 20 0 FCADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001158389410 850045881 /nfs/dbraw/zinc/04/58/81/850045881.db2.gz CWYCSGOSMVQCQX-ZIAGYGMSSA-N 1 3 350.467 0.103 20 0 FCADHO CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001158782552 850075624 /nfs/dbraw/zinc/07/56/24/850075624.db2.gz UZMPVEDKVGIGAB-GFCCVEGCSA-N 1 3 367.519 0.619 20 0 FCADHO C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001159696721 850130499 /nfs/dbraw/zinc/13/04/99/850130499.db2.gz LFNDGCULJSMLAS-DOMZBBRYSA-N 1 3 367.519 0.732 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159819200 850137996 /nfs/dbraw/zinc/13/79/96/850137996.db2.gz VWRKNJXJLCNCOM-UKRRQHHQSA-N 1 3 352.479 0.119 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001160941428 850214611 /nfs/dbraw/zinc/21/46/11/850214611.db2.gz RSLUGFFLOWLBNL-INIZCTEOSA-N 1 3 364.515 0.309 20 0 FCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161318110 850251715 /nfs/dbraw/zinc/25/17/15/850251715.db2.gz WDWZCKXEVVQDKI-AWEZNQCLSA-N 1 3 354.520 0.257 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCOc2ccc(Br)cc2C1 ZINC001161499928 850265422 /nfs/dbraw/zinc/26/54/22/850265422.db2.gz NFLAJURBMNLLBX-CYBMUJFWSA-N 1 3 366.259 0.979 20 0 FCADHO CN1CCN(C(=[NH2+])Nc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC001168735564 850591368 /nfs/dbraw/zinc/59/13/68/850591368.db2.gz STAZHWSJTURTEU-UHFFFAOYSA-N 1 3 366.369 0.342 20 0 FCADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@@H]1COC(C)(C)C1)CC2 ZINC001172282405 850709841 /nfs/dbraw/zinc/70/98/41/850709841.db2.gz AAUNQOQKJPJSKH-INIZCTEOSA-N 1 3 352.523 0.724 20 0 FCADHO COC(=O)N1CCC([NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001172742139 850713190 /nfs/dbraw/zinc/71/31/90/850713190.db2.gz ZXYLJNRCKINVLU-UHFFFAOYSA-N 1 3 352.479 0.879 20 0 FCADHO CC[C@@]1(C(=O)OC)C[C@H](NCCOCC[NH3+])CN1C(=O)OC(C)(C)C ZINC001173522152 850725201 /nfs/dbraw/zinc/72/52/01/850725201.db2.gz XEIYOFHWANRSIR-GUYCJALGSA-N 1 3 359.467 0.883 20 0 FCADHO COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CCN(C(C)C)CC2)C[C@@H]1C(=O)OC ZINC001173567871 850728199 /nfs/dbraw/zinc/72/81/99/850728199.db2.gz LDEVAQHPPNFAFD-MUJYYYPQSA-N 1 3 355.479 0.343 20 0 FCADHO C[NH+](C)CCN1CCN(C[C@@H]2CCC=CO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278141257 862210071 /nfs/dbraw/zinc/21/00/71/862210071.db2.gz UVULKNXYEJUMFP-PKOBYXMFSA-N 1 3 350.507 0.897 20 0 FCADHO CN1CCC(O)(C(=O)N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001182031683 851146285 /nfs/dbraw/zinc/14/62/85/851146285.db2.gz OLFOGRMACTXBAS-OAHLLOKOSA-N 1 3 353.507 0.981 20 0 FCADHO CCCCCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189453353 851792785 /nfs/dbraw/zinc/79/27/85/851792785.db2.gz HELGYAAELMAIQU-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO CCCCCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189453353 851792790 /nfs/dbraw/zinc/79/27/90/851792790.db2.gz HELGYAAELMAIQU-GVDBMIGSSA-N 1 3 350.507 0.920 20 0 FCADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289346 852573446 /nfs/dbraw/zinc/57/34/46/852573446.db2.gz KGGPITHYMWEABQ-IAGOWNOFSA-N 1 3 350.463 0.496 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001195709191 852816628 /nfs/dbraw/zinc/81/66/28/852816628.db2.gz XZYWBQVTNRWCPT-CHWSQXEVSA-N 1 3 355.401 0.459 20 0 FCADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251990 852924946 /nfs/dbraw/zinc/92/49/46/852924946.db2.gz POTAHNCMRQBPIT-BRWVUGGUSA-N 1 3 357.495 0.075 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001197493239 853123067 /nfs/dbraw/zinc/12/30/67/853123067.db2.gz HKBAXQXZLOUZLL-CHWSQXEVSA-N 1 3 355.401 0.459 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001197493239 853123072 /nfs/dbraw/zinc/12/30/72/853123072.db2.gz HKBAXQXZLOUZLL-CHWSQXEVSA-N 1 3 355.401 0.459 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199017413 853355072 /nfs/dbraw/zinc/35/50/72/853355072.db2.gz GODAFMGVUALMJN-KZNAEPCWSA-N 1 3 353.507 0.840 20 0 FCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccnc1I ZINC001199766619 853453964 /nfs/dbraw/zinc/45/39/64/853453964.db2.gz OGBJHRZTDIXONN-UHFFFAOYSA-N 1 3 361.187 0.761 20 0 FCADHO C[NH+](C)CCN1CCN(C(=S)NCCN2CCCCC2)CCC1=O ZINC001200431187 853497208 /nfs/dbraw/zinc/49/72/08/853497208.db2.gz UOTRMPWOBKBZPI-UHFFFAOYSA-N 1 3 355.552 0.443 20 0 FCADHO CCCN(C)CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001205516633 853619479 /nfs/dbraw/zinc/61/94/79/853619479.db2.gz NTBGYXIEGBVHBW-DLBZAZTESA-N 1 3 353.507 0.650 20 0 FCADHO COC(=O)CCN(CCC[NH+](C)C)CC1CCN(S(C)(=O)=O)CC1 ZINC001207446533 853815084 /nfs/dbraw/zinc/81/50/84/853815084.db2.gz JQEQWEDYDDYKPA-UHFFFAOYSA-N 1 3 363.524 0.475 20 0 FCADHO COCCN1CCO[C@H]2CN(CCC3CC[NH+](C)CC3)CC[C@H]2C1=O ZINC001207483988 853818697 /nfs/dbraw/zinc/81/86/97/853818697.db2.gz MBGRUYDVNYAQQE-MSOLQXFVSA-N 1 3 353.507 0.914 20 0 FCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213678124 854712487 /nfs/dbraw/zinc/71/24/87/854712487.db2.gz FTQYFXPFGDGWOY-GVDBMIGSSA-N 1 3 357.495 0.339 20 0 FCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCO[C@H]2CCOC2)C[C@H]1OC ZINC001213678124 854712489 /nfs/dbraw/zinc/71/24/89/854712489.db2.gz FTQYFXPFGDGWOY-GVDBMIGSSA-N 1 3 357.495 0.339 20 0 FCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001214757286 855003607 /nfs/dbraw/zinc/00/36/07/855003607.db2.gz HGZXJMPRNVMCHZ-OWCLPIDISA-N 1 3 358.502 0.970 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(C)C)C2)C1 ZINC001214845228 855021213 /nfs/dbraw/zinc/02/12/13/855021213.db2.gz KMJSEBGQZXDIKG-IXDOHACOSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(C)C)C2)C1 ZINC001214845228 855021218 /nfs/dbraw/zinc/02/12/18/855021218.db2.gz KMJSEBGQZXDIKG-IXDOHACOSA-N 1 3 352.523 0.925 20 0 FCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847614 855021883 /nfs/dbraw/zinc/02/18/83/855021883.db2.gz LOVOEIOUZAUXSZ-BRWVUGGUSA-N 1 3 355.523 0.941 20 0 FCADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847301 855021983 /nfs/dbraw/zinc/02/19/83/855021983.db2.gz AHZILCKRWQBQKY-HUUCEWRRSA-N 1 3 354.495 0.060 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847612 855022036 /nfs/dbraw/zinc/02/20/36/855022036.db2.gz LMXOHNULYMCCFT-GDBMZVCRSA-N 1 3 354.495 0.060 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001214855522 855023127 /nfs/dbraw/zinc/02/31/27/855023127.db2.gz FCVIYYJMLLGRAW-HYVNUMGLSA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001214855522 855023136 /nfs/dbraw/zinc/02/31/36/855023136.db2.gz FCVIYYJMLLGRAW-HYVNUMGLSA-N 1 3 350.507 0.964 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1)N(C)C ZINC001214952770 855038503 /nfs/dbraw/zinc/03/85/03/855038503.db2.gz LGSRPDUSJKXFMB-RBSFLKMASA-N 1 3 355.527 0.861 20 0 FCADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCCS(C)(=O)=O ZINC001214947634 855038596 /nfs/dbraw/zinc/03/85/96/855038596.db2.gz BXEQSCXWQKEVSM-HUUCEWRRSA-N 1 3 357.520 0.344 20 0 FCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215414675 855111959 /nfs/dbraw/zinc/11/19/59/855111959.db2.gz ZSJOPIBAMOPUEK-GDBMZVCRSA-N 1 3 350.507 0.681 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215539976 855126530 /nfs/dbraw/zinc/12/65/30/855126530.db2.gz FURRDBWGJRQMBC-HLLBOEOZSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215536421 855126610 /nfs/dbraw/zinc/12/66/10/855126610.db2.gz QXNQHOBNWLOIMR-HLLBOEOZSA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(=O)NC1CC1 ZINC001215558401 855127661 /nfs/dbraw/zinc/12/76/61/855127661.db2.gz RYAKTYXUKWSKLQ-IIAWOOMASA-N 1 3 350.507 0.822 20 0 FCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090200 855169034 /nfs/dbraw/zinc/16/90/34/855169034.db2.gz CGMLXXRRGKWRIN-GDBMZVCRSA-N 1 3 354.495 0.012 20 0 FCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001216217574 855180245 /nfs/dbraw/zinc/18/02/45/855180245.db2.gz ZMFVHSYQADLEDB-VXGBXAGGSA-N 1 3 352.401 0.443 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C1 ZINC001216217574 855180249 /nfs/dbraw/zinc/18/02/49/855180249.db2.gz ZMFVHSYQADLEDB-VXGBXAGGSA-N 1 3 352.401 0.443 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001216383834 855197824 /nfs/dbraw/zinc/19/78/24/855197824.db2.gz QUOXRBGVZFYWEL-DJIMGWMZSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001216383834 855197827 /nfs/dbraw/zinc/19/78/27/855197827.db2.gz QUOXRBGVZFYWEL-DJIMGWMZSA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001216464303 855204545 /nfs/dbraw/zinc/20/45/45/855204545.db2.gz NZRIOBCQBXMXNX-HZPDHXFCSA-N 1 3 354.495 0.014 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C1 ZINC001216515947 855210770 /nfs/dbraw/zinc/21/07/70/855210770.db2.gz VPHXUGQMDRAJNG-CHWSQXEVSA-N 1 3 366.428 0.785 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001216844483 855256470 /nfs/dbraw/zinc/25/64/70/855256470.db2.gz COQIOZVETFJRCT-OAGGEKHMSA-N 1 3 359.536 0.732 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC(=O)N1CCC1 ZINC001216980853 855273797 /nfs/dbraw/zinc/27/37/97/855273797.db2.gz SFPOMLGNCZYZTJ-IAGOWNOFSA-N 1 3 350.507 0.921 20 0 FCADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001218476793 855429451 /nfs/dbraw/zinc/42/94/51/855429451.db2.gz UKIZKLLDANBCDZ-SNVBAGLBSA-N 1 3 352.435 0.670 20 0 FCADHO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218549856 855437571 /nfs/dbraw/zinc/43/75/71/855437571.db2.gz XJVMHWALCQJZFO-JTQLQIEISA-N 1 3 370.475 0.940 20 0 FCADHO O=C(Nc1[nH]nc2ncc(Br)cc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218563180 855439210 /nfs/dbraw/zinc/43/92/10/855439210.db2.gz FOSYCZRRBSHWQO-XLKFXECMSA-N 1 3 365.235 0.858 20 0 FCADHO NC(=O)c1cc(Br)ccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218844396 855484526 /nfs/dbraw/zinc/48/45/26/855484526.db2.gz VRESWFQVCFNDSQ-GFCCVEGCSA-N 1 3 355.236 0.813 20 0 FCADHO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001218885166 855491275 /nfs/dbraw/zinc/49/12/75/855491275.db2.gz GEPPQHCIMWLELN-CYBMUJFWSA-N 1 3 372.491 0.730 20 0 FCADHO COC(=O)c1cc(NC(=O)[C@H](N)CCC[NH3+])c(OC)c(OC(C)=O)c1 ZINC001219164398 855568465 /nfs/dbraw/zinc/56/84/65/855568465.db2.gz ZOVRWYJTCTYWCA-LLVKDONJSA-N 1 3 353.375 0.412 20 0 FCADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634911 855746723 /nfs/dbraw/zinc/74/67/23/855746723.db2.gz KDNQDFOARNORNE-NXHRZFHOSA-N 1 3 353.507 0.839 20 0 FCADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001219634911 855746728 /nfs/dbraw/zinc/74/67/28/855746728.db2.gz KDNQDFOARNORNE-NXHRZFHOSA-N 1 3 353.507 0.839 20 0 FCADHO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1csc2c1CCNC2 ZINC001219844741 855843459 /nfs/dbraw/zinc/84/34/59/855843459.db2.gz QKLONFNMJQDXRU-YVEFUNNKSA-N 1 3 351.472 0.519 20 0 FCADHO COCCCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919713 855878725 /nfs/dbraw/zinc/87/87/25/855878725.db2.gz KGGPITHYMWEABQ-SJORKVTESA-N 1 3 350.463 0.496 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCC[NH2+]C2CCCCC2)COC1(C)C ZINC001219954301 855895064 /nfs/dbraw/zinc/89/50/64/855895064.db2.gz FWHDOROMZQOZOH-ZFWWWQNUSA-N 1 3 354.495 0.726 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)COC1(C)C ZINC001220064032 855941086 /nfs/dbraw/zinc/94/10/86/855941086.db2.gz NTZIOSKSEYCCDU-KKUMJFAQSA-N 1 3 354.495 0.678 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)COC1(C)C ZINC001220064032 855941088 /nfs/dbraw/zinc/94/10/88/855941088.db2.gz NTZIOSKSEYCCDU-KKUMJFAQSA-N 1 3 354.495 0.678 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccc(F)n1 ZINC001220124623 855971982 /nfs/dbraw/zinc/97/19/82/855971982.db2.gz FHBXAURJFWZBKI-KBPBESRZSA-N 1 3 351.426 0.284 20 0 FCADHO CCCCCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517163 856163773 /nfs/dbraw/zinc/16/37/73/856163773.db2.gz ZBUDEGVSVINBND-SJORKVTESA-N 1 3 351.495 0.800 20 0 FCADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519347 856164864 /nfs/dbraw/zinc/16/48/64/856164864.db2.gz KXRSFTADROCUMI-CQSZACIVSA-N 1 3 363.380 0.683 20 0 FCADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CCNC1 ZINC001220521985 856165188 /nfs/dbraw/zinc/16/51/88/856165188.db2.gz WERVVGCRMAZURK-UGSOOPFHSA-N 1 3 351.447 0.462 20 0 FCADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606730 856202816 /nfs/dbraw/zinc/20/28/16/856202816.db2.gz CJSKAXQEFGPZEY-NWDGAFQWSA-N 1 3 358.236 0.846 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1 ZINC001221081815 856454033 /nfs/dbraw/zinc/45/40/33/856454033.db2.gz UQAUNCYANHVTEK-HIEASXQVSA-N 1 3 353.507 0.839 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)N1CCCC1 ZINC001221091214 856457557 /nfs/dbraw/zinc/45/75/57/856457557.db2.gz GBLPIMHBVRQKKM-FGTMMUONSA-N 1 3 353.507 0.695 20 0 FCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)N1CCCC1 ZINC001221091214 856457567 /nfs/dbraw/zinc/45/75/67/856457567.db2.gz GBLPIMHBVRQKKM-FGTMMUONSA-N 1 3 353.507 0.695 20 0 FCADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)c1 ZINC001221404007 856559300 /nfs/dbraw/zinc/55/93/00/856559300.db2.gz FTDLALIFTBCTPU-VBNZEHGJSA-N 1 3 350.463 0.689 20 0 FCADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714238 856662334 /nfs/dbraw/zinc/66/23/34/856662334.db2.gz UORPIZYSDYNECM-IXDOHACOSA-N 1 3 353.507 0.791 20 0 FCADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COCC(F)(F)F)C[C@H]21 ZINC001221791595 856685840 /nfs/dbraw/zinc/68/58/40/856685840.db2.gz UPYSFNIMNMNDNQ-HZSPNIEDSA-N 1 3 367.412 0.411 20 0 FCADHO CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297588 857096150 /nfs/dbraw/zinc/09/61/50/857096150.db2.gz VZCCAJVWZMSKJV-ARFHVFGLSA-N 1 3 357.520 0.390 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001226831551 857128003 /nfs/dbraw/zinc/12/80/03/857128003.db2.gz SPDPBKWJNFEPIJ-KFWWJZLASA-N 1 3 350.463 0.293 20 0 FCADHO COc1ccc(CS(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238242712 857465142 /nfs/dbraw/zinc/46/51/42/857465142.db2.gz PYMBGXIVYIUWPE-HNNXBMFYSA-N 1 3 353.488 0.989 20 0 FCADHO COc1ccc(CS(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238242712 857465149 /nfs/dbraw/zinc/46/51/49/857465149.db2.gz PYMBGXIVYIUWPE-HNNXBMFYSA-N 1 3 353.488 0.989 20 0 FCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1cccc2nonc21 ZINC001238239566 857465256 /nfs/dbraw/zinc/46/52/56/857465256.db2.gz DQSBRNAEAFECEQ-LLVKDONJSA-N 1 3 351.432 0.375 20 0 FCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001238878760 857485848 /nfs/dbraw/zinc/48/58/48/857485848.db2.gz CRVQAVBGVJETNK-UHFFFAOYSA-N 1 3 361.855 0.873 20 0 FCADHO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977950 857562027 /nfs/dbraw/zinc/56/20/27/857562027.db2.gz YITJYFSEQCHSAJ-JCGIZDLHSA-N 1 3 356.438 0.866 20 0 FCADHO CC[C@H](C)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC ZINC001246513758 857583777 /nfs/dbraw/zinc/58/37/77/857583777.db2.gz JQQURFMLTDHQEF-IHRRRGAJSA-N 1 3 356.515 0.283 20 0 FCADHO CC(C)C(=O)N1CCC[C@]2(C1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246750344 857596970 /nfs/dbraw/zinc/59/69/70/857596970.db2.gz ULVOKBKNYGEWQD-VQIMIIECSA-N 1 3 350.507 0.430 20 0 FCADHO CN1CCCN(CC[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253167041 857868344 /nfs/dbraw/zinc/86/83/44/857868344.db2.gz DMVUYUAFAZGRLO-GOSISDBHSA-N 1 3 351.491 0.188 20 0 FCADHO CN(C)Cc1cc(=O)n2c(n1)CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC2 ZINC001253390119 857885431 /nfs/dbraw/zinc/88/54/31/857885431.db2.gz JEDBGUAVZIETQA-OAHLLOKOSA-N 1 3 351.495 0.260 20 0 FCADHO CCS(=O)(=O)N([C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12)[C@@H]1CCCN(C)CC1 ZINC001254522731 857977310 /nfs/dbraw/zinc/97/73/10/857977310.db2.gz PPCHDHLJLNKVQX-HZMVEIRTSA-N 1 3 359.536 0.889 20 0 FCADHO C[C@H](CC(=O)N1CCOCC1)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001256326069 858067859 /nfs/dbraw/zinc/06/78/59/858067859.db2.gz IMHZPKIFLICWRN-KGLIPLIRSA-N 1 3 358.483 0.803 20 0 FCADHO COC(=O)[C@@H](N)CCCNC(=[NH2+])NC1CCC(N2CCOCC2)CC1 ZINC001256680114 858095673 /nfs/dbraw/zinc/09/56/73/858095673.db2.gz YDHQNMOKZWWNEH-NRXISQOPSA-N 1 3 355.483 0.024 20 0 FCADHO CC(=O)N[C@@H](CCCC[NH2+]C1CCC(N2CCOCC2)CC1)C(N)=O ZINC001256686729 858095685 /nfs/dbraw/zinc/09/56/85/858095685.db2.gz UAFCSDDIAULZDX-JCYILVPMSA-N 1 3 354.495 0.380 20 0 FCADHO CCOC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261320422 858517885 /nfs/dbraw/zinc/51/78/85/858517885.db2.gz BNISKLUTEKHDGB-INIZCTEOSA-N 1 3 356.511 0.213 20 0 FCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001262599341 859015830 /nfs/dbraw/zinc/01/58/30/859015830.db2.gz VSESGZVFYHKZKW-AWEZNQCLSA-N 1 3 351.495 0.500 20 0 FCADHO CN1CCCC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001271138353 859903282 /nfs/dbraw/zinc/90/32/82/859903282.db2.gz DDNRIKMIDMPPOT-JKSUJKDBSA-N 1 3 350.507 0.777 20 0 FCADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001271651980 859986041 /nfs/dbraw/zinc/98/60/41/859986041.db2.gz GJEBMUYYLWVZHC-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1 ZINC001271651980 859986044 /nfs/dbraw/zinc/98/60/44/859986044.db2.gz GJEBMUYYLWVZHC-BRWVUGGUSA-N 1 3 350.507 0.872 20 0 FCADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001274204940 860706954 /nfs/dbraw/zinc/70/69/54/860706954.db2.gz ZGLIBSBHCYXOAX-UHFFFAOYSA-N 1 3 352.523 0.319 20 0 FCADHO CN(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001274204940 860706959 /nfs/dbraw/zinc/70/69/59/860706959.db2.gz ZGLIBSBHCYXOAX-UHFFFAOYSA-N 1 3 352.523 0.319 20 0 FCADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275063365 860926532 /nfs/dbraw/zinc/92/65/32/860926532.db2.gz KWWTZKNVAXLXCI-LJQANCHMSA-N 1 3 352.523 0.583 20 0 FCADHO CC(C)C[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001275063365 860926546 /nfs/dbraw/zinc/92/65/46/860926546.db2.gz KWWTZKNVAXLXCI-LJQANCHMSA-N 1 3 352.523 0.583 20 0 FCADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001275511925 861117922 /nfs/dbraw/zinc/11/79/22/861117922.db2.gz OBRGFZQDBNGYRR-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001275511925 861117933 /nfs/dbraw/zinc/11/79/33/861117933.db2.gz OBRGFZQDBNGYRR-BZUAXINKSA-N 1 3 350.507 0.918 20 0 FCADHO COC(=O)[C@@H](C)CN1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280026417 863198768 /nfs/dbraw/zinc/19/87/68/863198768.db2.gz QPECJIJOMGFSMX-ZFWWWQNUSA-N 1 3 369.531 0.813 20 0 FCADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](N)C2CCCCC2)cn1 ZINC001349487545 866358702 /nfs/dbraw/zinc/35/87/02/866358702.db2.gz PHARTUAKHMZEHG-MRXNPFEDSA-N 1 3 350.467 0.407 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H](O)C(=O)OC)CC2)CC1 ZINC001353509987 867440397 /nfs/dbraw/zinc/44/03/97/867440397.db2.gz GADWAHNTAZNHLX-INIZCTEOSA-N 1 3 355.479 0.223 20 0 FCADHO CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CCCN1CCN(C)CC1 ZINC001354317325 867580460 /nfs/dbraw/zinc/58/04/60/867580460.db2.gz WWAXSOLWFBDVTC-INIZCTEOSA-N 1 3 350.515 0.231 20 0 FCADHO CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CCCN1CCN(C)CC1 ZINC001354317325 867580477 /nfs/dbraw/zinc/58/04/77/867580477.db2.gz WWAXSOLWFBDVTC-INIZCTEOSA-N 1 3 350.515 0.231 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001358666589 868243503 /nfs/dbraw/zinc/24/35/03/868243503.db2.gz YVWDVKGPWBUZGK-OAGGEKHMSA-N 1 3 350.507 0.964 20 0 FCADHO CC(C)N1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001358666589 868243516 /nfs/dbraw/zinc/24/35/16/868243516.db2.gz YVWDVKGPWBUZGK-OAGGEKHMSA-N 1 3 350.507 0.964 20 0 FCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC001325386492 869871724 /nfs/dbraw/zinc/87/17/24/869871724.db2.gz RGCFCRZINOAQFU-UKRRQHHQSA-N 1 3 354.495 0.548 20 0 FCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC001326968838 870595331 /nfs/dbraw/zinc/59/53/31/870595331.db2.gz OKGSLTSCFLLYLU-INIZCTEOSA-N 1 3 350.507 0.873 20 0 FCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001327406714 870846881 /nfs/dbraw/zinc/84/68/81/870846881.db2.gz HCBUPWOKDXHSAW-KHYOSLBOSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079021 951687006 /nfs/dbraw/zinc/68/70/06/951687006.db2.gz ONVPYZVTYVLQDQ-LBPRGKRZSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079021 951687009 /nfs/dbraw/zinc/68/70/09/951687009.db2.gz ONVPYZVTYVLQDQ-LBPRGKRZSA-N 1 3 363.441 0.799 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575099590 951836939 /nfs/dbraw/zinc/83/69/39/951836939.db2.gz NLNRGDOTBUCDOB-DGCLKSJQSA-N 1 3 363.491 0.959 20 0 FCADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575099590 951836948 /nfs/dbraw/zinc/83/69/48/951836948.db2.gz NLNRGDOTBUCDOB-DGCLKSJQSA-N 1 3 363.491 0.959 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113656 951943764 /nfs/dbraw/zinc/94/37/64/951943764.db2.gz CQZGVGILIMEELV-CQSZACIVSA-N 1 3 369.473 0.804 20 0 FCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113656 951943778 /nfs/dbraw/zinc/94/37/78/951943778.db2.gz CQZGVGILIMEELV-CQSZACIVSA-N 1 3 369.473 0.804 20 0 FCADHO CC[C@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000413670666 529609657 /nfs/dbraw/zinc/60/96/57/529609657.db2.gz YOFUBWZYWQGJOW-ZNMIVQPWSA-N 1 3 358.552 0.727 20 0 FCADHO CC[C@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000413670665 529609683 /nfs/dbraw/zinc/60/96/83/529609683.db2.gz YOFUBWZYWQGJOW-RRFJBIMHSA-N 1 3 358.552 0.727 20 0 FCADHO Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c(OCC[NH+](C)C)c1 ZINC000265727081 210208496 /nfs/dbraw/zinc/20/84/96/210208496.db2.gz ANHCEWJQOMDQIK-AWEZNQCLSA-N 1 3 350.463 0.940 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000410729799 529831558 /nfs/dbraw/zinc/83/15/58/529831558.db2.gz KHZIXHMQUIJQFK-KSZLIROESA-N 1 3 362.518 0.872 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000410731115 529861188 /nfs/dbraw/zinc/86/11/88/529861188.db2.gz ODVWOMPWLKLFFG-KSZLIROESA-N 1 3 362.518 0.872 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000410731115 529861189 /nfs/dbraw/zinc/86/11/89/529861189.db2.gz ODVWOMPWLKLFFG-KSZLIROESA-N 1 3 362.518 0.872 20 0 FCADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCCCC1 ZINC000331385853 214988024 /nfs/dbraw/zinc/98/80/24/214988024.db2.gz HWZXLFKKHBQWJE-XHSDSOJGSA-N 1 3 350.507 0.953 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000331507343 215008047 /nfs/dbraw/zinc/00/80/47/215008047.db2.gz UAWCBCOFUONYRS-GOEBONIOSA-N 1 3 366.506 0.693 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCSC1 ZINC000331552722 215014893 /nfs/dbraw/zinc/01/48/93/215014893.db2.gz WZEKXZSBPLUTPH-ZJOBFFGXSA-N 1 3 354.520 0.126 20 0 FCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331649101 215029089 /nfs/dbraw/zinc/02/90/89/215029089.db2.gz QUSDALGFYDOMRC-JKSUJKDBSA-N 1 3 351.495 0.454 20 0 FCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000332248955 215116047 /nfs/dbraw/zinc/11/60/47/215116047.db2.gz CBPMACIADSIEGK-YQQAZPJKSA-N 1 3 366.506 0.155 20 0 FCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332592759 215186350 /nfs/dbraw/zinc/18/63/50/215186350.db2.gz MIXMSDYVRRBAQT-RDJZCZTQSA-N 1 3 350.507 0.918 20 0 FCADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc(N4CCNCC4)nc3)C2)C1 ZINC000333318343 215262572 /nfs/dbraw/zinc/26/25/72/215262572.db2.gz MPNUTYZKFPSENW-SFHVURJKSA-N 1 3 359.478 0.836 20 0 FCADHO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc(N4CCNCC4)nc3)C2)C1 ZINC000333318343 215262575 /nfs/dbraw/zinc/26/25/75/215262575.db2.gz MPNUTYZKFPSENW-SFHVURJKSA-N 1 3 359.478 0.836 20 0 FCADHO O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000333694438 215308607 /nfs/dbraw/zinc/30/86/07/215308607.db2.gz QAYPXUBIOJAYDW-MSOLQXFVSA-N 1 3 372.517 0.987 20 0 FCADHO COCC1(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000333673269 215307572 /nfs/dbraw/zinc/30/75/72/215307572.db2.gz NNKQSQGGORYMSG-INIZCTEOSA-N 1 3 368.522 0.897 20 0 FCADHO C[C@@H]1NC(=O)N(CCN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803951 215319740 /nfs/dbraw/zinc/31/97/40/215319740.db2.gz DXASZPAVTMZASM-ZNMIVQPWSA-N 1 3 352.479 0.748 20 0 FCADHO C[C@@H]1NC(=O)N(CCN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000333803951 215319743 /nfs/dbraw/zinc/31/97/43/215319743.db2.gz DXASZPAVTMZASM-ZNMIVQPWSA-N 1 3 352.479 0.748 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333864556 215326293 /nfs/dbraw/zinc/32/62/93/215326293.db2.gz SRRUOYHFUWRWLP-YJBOKZPZSA-N 1 3 351.495 0.324 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333871749 215327866 /nfs/dbraw/zinc/32/78/66/215327866.db2.gz BVBHKTGXGHBNNK-IXDOHACOSA-N 1 3 365.522 0.570 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284137830 213082803 /nfs/dbraw/zinc/08/28/03/213082803.db2.gz DMLDUAGETINGGO-IAGOWNOFSA-N 1 3 362.474 0.913 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284137830 213082806 /nfs/dbraw/zinc/08/28/06/213082806.db2.gz DMLDUAGETINGGO-IAGOWNOFSA-N 1 3 362.474 0.913 20 0 FCADHO COCCN(CCN(C)C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284040670 213062105 /nfs/dbraw/zinc/06/21/05/213062105.db2.gz JUYSTPKRPFPIMV-UHFFFAOYSA-N 1 3 364.490 0.401 20 0 FCADHO NC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)Cc2ccccc2C1 ZINC000366408947 215973396 /nfs/dbraw/zinc/97/33/96/215973396.db2.gz UMKNQETUKKBVDC-UHFFFAOYSA-N 1 3 374.466 0.358 20 0 FCADHO C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030316 216065974 /nfs/dbraw/zinc/06/59/74/216065974.db2.gz PYLPXXVQDJZHCM-CVEARBPZSA-N 1 3 365.522 0.665 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246768433 209398901 /nfs/dbraw/zinc/39/89/01/209398901.db2.gz HZRHPKAUHSWLHJ-BRWVUGGUSA-N 1 3 365.522 0.807 20 0 FCADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000246616382 209391974 /nfs/dbraw/zinc/39/19/74/209391974.db2.gz LPBKXBMDIPOOKI-QWFCFKBJSA-N 1 3 369.550 0.891 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000237178432 209348774 /nfs/dbraw/zinc/34/87/74/209348774.db2.gz LYQHSPWKIVXWLM-KRWDZBQOSA-N 1 3 358.486 0.984 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368992164 216330578 /nfs/dbraw/zinc/33/05/78/216330578.db2.gz MDGITJPZOZXKGZ-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368992164 216330580 /nfs/dbraw/zinc/33/05/80/216330580.db2.gz MDGITJPZOZXKGZ-IRXDYDNUSA-N 1 3 365.522 0.809 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036873 216336764 /nfs/dbraw/zinc/33/67/64/216336764.db2.gz RTXRWNMEUNHEDJ-RDJZCZTQSA-N 1 3 350.507 0.872 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)C2CCN(C)CC2)CC1=O ZINC000369036873 216336767 /nfs/dbraw/zinc/33/67/67/216336767.db2.gz RTXRWNMEUNHEDJ-RDJZCZTQSA-N 1 3 350.507 0.872 20 0 FCADHO CC(C)N1CCN(CCC[NH+]2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000369195301 216362382 /nfs/dbraw/zinc/36/23/82/216362382.db2.gz UGEHCWGMYCIDDO-UHFFFAOYSA-N 1 3 368.566 0.562 20 0 FCADHO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000369333353 216384919 /nfs/dbraw/zinc/38/49/19/216384919.db2.gz BMHXCJKPBYHPPG-MJGOQNOKSA-N 1 3 357.539 0.889 20 0 FCADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000276358638 212218636 /nfs/dbraw/zinc/21/86/36/212218636.db2.gz LSJWBSSFAMYLRW-UHFFFAOYSA-N 1 3 364.490 0.897 20 0 FCADHO C[C@@H]1C[C@@H](CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC[NH2+]1 ZINC000414737723 245319594 /nfs/dbraw/zinc/31/95/94/245319594.db2.gz OIULVSIMLWYGER-CABCVRRESA-N 1 3 352.504 0.844 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414777255 245321865 /nfs/dbraw/zinc/32/18/65/245321865.db2.gz OKQHRUFAAAFURQ-GOSISDBHSA-N 1 3 374.485 0.840 20 0 FCADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000414851452 245323874 /nfs/dbraw/zinc/32/38/74/245323874.db2.gz JKJXJPSIRJHLLQ-PBHICJAKSA-N 1 3 362.474 0.854 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415126434 245349044 /nfs/dbraw/zinc/34/90/44/245349044.db2.gz MDDXYTWTEUKQHY-CQSZACIVSA-N 1 3 360.458 0.907 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415126434 245349054 /nfs/dbraw/zinc/34/90/54/245349054.db2.gz MDDXYTWTEUKQHY-CQSZACIVSA-N 1 3 360.458 0.907 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCSC1 ZINC000414919213 245333050 /nfs/dbraw/zinc/33/30/50/245333050.db2.gz UJLLEEKSTXJCLI-GOSISDBHSA-N 1 3 362.499 0.824 20 0 FCADHO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000415352236 245395631 /nfs/dbraw/zinc/39/56/31/245395631.db2.gz KBCDRTGXYAMRQZ-INIZCTEOSA-N 1 3 371.485 0.717 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000184076072 209157121 /nfs/dbraw/zinc/15/71/21/209157121.db2.gz LIMCNEXFEXBUOA-AEFFLSMTSA-N 1 3 352.523 0.772 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000184076072 209157119 /nfs/dbraw/zinc/15/71/19/209157119.db2.gz LIMCNEXFEXBUOA-AEFFLSMTSA-N 1 3 352.523 0.772 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)N3CCOCC3)CC2)CC1 ZINC000374955035 217197231 /nfs/dbraw/zinc/19/72/31/217197231.db2.gz ORJDYMJLUYRPKI-UHFFFAOYSA-N 1 3 352.523 0.772 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCCN2CC[NH2+]CC2)o1 ZINC000418286641 245773121 /nfs/dbraw/zinc/77/31/21/245773121.db2.gz IDHZOIFHSIKCDG-UHFFFAOYSA-N 1 3 351.495 0.957 20 0 FCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419162676 246026003 /nfs/dbraw/zinc/02/60/03/246026003.db2.gz HRXUFQVIFBUYAL-NVXWUHKLSA-N 1 3 362.474 0.105 20 0 FCADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419159876 246024683 /nfs/dbraw/zinc/02/46/83/246024683.db2.gz ZXNQDBXQVMSSFU-UHFFFAOYSA-N 1 3 362.474 0.441 20 0 FCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1OCCN(C)C ZINC000419130984 246007849 /nfs/dbraw/zinc/00/78/49/246007849.db2.gz BSHCHRBKPGSIFF-INIZCTEOSA-N 1 3 362.474 0.454 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419166896 246029779 /nfs/dbraw/zinc/02/97/79/246029779.db2.gz HZKLRNJRXMTCMF-APWZRJJASA-N 1 3 350.507 0.969 20 0 FCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419168452 246030265 /nfs/dbraw/zinc/03/02/65/246030265.db2.gz SHONQCRICQIKTJ-MSOLQXFVSA-N 1 3 374.485 0.262 20 0 FCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419166899 246030829 /nfs/dbraw/zinc/03/08/29/246030829.db2.gz HZKLRNJRXMTCMF-VQIMIIECSA-N 1 3 350.507 0.969 20 0 FCADHO CN1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1(C)C ZINC000419184378 246040765 /nfs/dbraw/zinc/04/07/65/246040765.db2.gz NPMYXUJAOLZMNG-INIZCTEOSA-N 1 3 367.538 0.152 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000419191606 246043888 /nfs/dbraw/zinc/04/38/88/246043888.db2.gz OGKMQPKZAMWLOC-SFHVURJKSA-N 1 3 358.486 0.929 20 0 FCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000419216361 246058391 /nfs/dbraw/zinc/05/83/91/246058391.db2.gz PCSHRYMHQUDYFC-MRXNPFEDSA-N 1 3 362.474 0.454 20 0 FCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419216428 246058982 /nfs/dbraw/zinc/05/89/82/246058982.db2.gz PNSKAXJQBHYPEE-GOEBONIOSA-N 1 3 362.474 0.439 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419222307 246062789 /nfs/dbraw/zinc/06/27/89/246062789.db2.gz BMVLPABTBAUPOS-JLSDUUJJSA-N 1 3 358.486 0.867 20 0 FCADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227201 246065447 /nfs/dbraw/zinc/06/54/47/246065447.db2.gz JYAJEOPLKWAQQZ-IRXDYDNUSA-N 1 3 350.507 0.955 20 0 FCADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419199407 246047806 /nfs/dbraw/zinc/04/78/06/246047806.db2.gz ZPXKLZCXJFNBRT-HDICACEKSA-N 1 3 370.497 0.753 20 0 FCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000419198957 246048299 /nfs/dbraw/zinc/04/82/99/246048299.db2.gz DCLZQIUJGMEIJY-INIZCTEOSA-N 1 3 350.463 0.343 20 0 FCADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419235291 246070246 /nfs/dbraw/zinc/07/02/46/246070246.db2.gz YTBGYZWSCZNOPZ-BRSBDYLESA-N 1 3 362.518 0.871 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC1 ZINC000419237946 246073234 /nfs/dbraw/zinc/07/32/34/246073234.db2.gz MIAKVTZWXQTHDC-JKSUJKDBSA-N 1 3 366.506 0.332 20 0 FCADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419266545 246079947 /nfs/dbraw/zinc/07/99/47/246079947.db2.gz GSHVNPNIIRTICS-QGZVFWFLSA-N 1 3 362.474 0.249 20 0 FCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000419370727 246122403 /nfs/dbraw/zinc/12/24/03/246122403.db2.gz HRRMIGNEDIXEMX-OAHLLOKOSA-N 1 3 358.486 0.270 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000419370743 246122843 /nfs/dbraw/zinc/12/28/43/246122843.db2.gz HSTDQBFYNPPTAI-FQEVSTJZSA-N 1 3 370.497 0.414 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)Cc2ccccc2C1 ZINC000419379243 246124370 /nfs/dbraw/zinc/12/43/70/246124370.db2.gz WFBLAYNRFGTMDM-UHFFFAOYSA-N 1 3 358.486 0.460 20 0 FCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000419377698 246125122 /nfs/dbraw/zinc/12/51/22/246125122.db2.gz UGOACRBWQGADHO-WMLDXEAASA-N 1 3 358.486 0.459 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCO1 ZINC000419417021 246148724 /nfs/dbraw/zinc/14/87/24/246148724.db2.gz HPROIHAXEHDVIT-QZTJIDSGSA-N 1 3 374.485 0.516 20 0 FCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419521207 246190193 /nfs/dbraw/zinc/19/01/93/246190193.db2.gz JLSWESOGAKWPAF-RRQGHBQHSA-N 1 3 364.465 0.925 20 0 FCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419521207 246190197 /nfs/dbraw/zinc/19/01/97/246190197.db2.gz JLSWESOGAKWPAF-RRQGHBQHSA-N 1 3 364.465 0.925 20 0 FCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419483583 246178174 /nfs/dbraw/zinc/17/81/74/246178174.db2.gz RZVHXNZBCCMZLD-HZPDHXFCSA-N 1 3 368.522 0.844 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419647814 246229491 /nfs/dbraw/zinc/22/94/91/246229491.db2.gz LSYHCUSBFFPMRZ-QANKJYHBSA-N 1 3 374.460 0.679 20 0 FCADHO N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1F ZINC000419647814 246229494 /nfs/dbraw/zinc/22/94/94/246229494.db2.gz LSYHCUSBFFPMRZ-QANKJYHBSA-N 1 3 374.460 0.679 20 0 FCADHO CO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](CN)C1 ZINC000419670309 246240077 /nfs/dbraw/zinc/24/00/77/246240077.db2.gz WSUSSNSDUICDQD-CABCVRRESA-N 1 3 354.495 0.189 20 0 FCADHO COc1cc(NC(=O)C(=O)N(C)CCN(C)C)ccc1OCC[NH+](C)C ZINC000419678274 246242821 /nfs/dbraw/zinc/24/28/21/246242821.db2.gz OABKOXKCLIPNKW-UHFFFAOYSA-N 1 3 366.462 0.594 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419687804 246250397 /nfs/dbraw/zinc/25/03/97/246250397.db2.gz QBQXQTLGJOYJDK-HZPDHXFCSA-N 1 3 366.506 0.476 20 0 FCADHO C[C@@]1(CNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CCC[NH2+]C1 ZINC000419690156 246252366 /nfs/dbraw/zinc/25/23/66/246252366.db2.gz UWBULPAUGBXMHT-GOSISDBHSA-N 1 3 366.506 0.254 20 0 FCADHO C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H]1CN ZINC000419709810 246264362 /nfs/dbraw/zinc/26/43/62/246264362.db2.gz KMVJYPVCNXUBGP-MAUKXSAKSA-N 1 3 360.502 0.993 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CCCC2)CC1 ZINC000419748536 246281979 /nfs/dbraw/zinc/28/19/79/246281979.db2.gz FSBATTJREUXORQ-AWEZNQCLSA-N 1 3 354.495 0.237 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)CCCC2)CC1 ZINC000419751490 246284816 /nfs/dbraw/zinc/28/48/16/246284816.db2.gz KGCXWJTZVSGGLE-INIZCTEOSA-N 1 3 366.506 0.380 20 0 FCADHO CCC[NH2+]CCNC(=O)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000419759862 246289742 /nfs/dbraw/zinc/28/97/42/246289742.db2.gz YNTRPWZQODACKR-UHFFFAOYSA-N 1 3 368.522 0.642 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419813870 246304036 /nfs/dbraw/zinc/30/40/36/246304036.db2.gz JTCVGIQVWPANTH-UONOGXRCSA-N 1 3 354.495 0.596 20 0 FCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419720067 246270729 /nfs/dbraw/zinc/27/07/29/246270729.db2.gz DMJIAAFVWZALDW-CVEARBPZSA-N 1 3 354.495 0.189 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419837646 246312054 /nfs/dbraw/zinc/31/20/54/246312054.db2.gz WXBLKEPRVUNTOM-DLBZAZTESA-N 1 3 369.554 0.208 20 0 FCADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419843094 246315969 /nfs/dbraw/zinc/31/59/69/246315969.db2.gz WYAKYXACKCZOCF-GASCZTMLSA-N 1 3 354.495 0.189 20 0 FCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000419908553 246363950 /nfs/dbraw/zinc/36/39/50/246363950.db2.gz YQGIGBCKGAQRFU-ARFHVFGLSA-N 1 3 354.495 0.060 20 0 FCADHO O=C(NCC1C[NH2+]C1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000419922746 246370433 /nfs/dbraw/zinc/37/04/33/246370433.db2.gz KKFYKMXFNXNRCE-UHFFFAOYSA-N 1 3 358.486 0.489 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419920711 246371714 /nfs/dbraw/zinc/37/17/14/246371714.db2.gz XBSJUDFFCFDAMU-OAHLLOKOSA-N 1 3 364.465 0.832 20 0 FCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423609926 247075225 /nfs/dbraw/zinc/07/52/25/247075225.db2.gz MFFFGSYPJNEVPB-KRWDZBQOSA-N 1 3 352.504 0.836 20 0 FCADHO COCC[C@]1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CC[NH2+]C1 ZINC000423758780 247140146 /nfs/dbraw/zinc/14/01/46/247140146.db2.gz NPVPGTLYOZDDCS-GOSISDBHSA-N 1 3 355.479 0.394 20 0 FCADHO CN(CCN)C(=O)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000423710635 247119614 /nfs/dbraw/zinc/11/96/14/247119614.db2.gz QCRPIUROIZGCFR-UHFFFAOYSA-N 1 3 358.486 0.918 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@@H]1CN ZINC000423722508 247126241 /nfs/dbraw/zinc/12/62/41/247126241.db2.gz FXBYIWWCNBSLDR-HYVNUMGLSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@@H]1CN ZINC000423722508 247126246 /nfs/dbraw/zinc/12/62/46/247126246.db2.gz FXBYIWWCNBSLDR-HYVNUMGLSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H]1CN ZINC000423722513 247126960 /nfs/dbraw/zinc/12/69/60/247126960.db2.gz FXBYIWWCNBSLDR-PVAVHDDUSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H]1CN ZINC000423722513 247126962 /nfs/dbraw/zinc/12/69/62/247126962.db2.gz FXBYIWWCNBSLDR-PVAVHDDUSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@H]1CN ZINC000423722511 247127089 /nfs/dbraw/zinc/12/70/89/247127089.db2.gz FXBYIWWCNBSLDR-OIISXLGYSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@H]1CN ZINC000423722511 247127092 /nfs/dbraw/zinc/12/70/92/247127092.db2.gz FXBYIWWCNBSLDR-OIISXLGYSA-N 1 3 350.507 0.763 20 0 FCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CC[C@H]1[NH3+] ZINC000423730586 247130520 /nfs/dbraw/zinc/13/05/20/247130520.db2.gz LIVCPDJZLDTXJQ-GDBMZVCRSA-N 1 3 350.463 0.756 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000424492256 247238659 /nfs/dbraw/zinc/23/86/59/247238659.db2.gz HFXSNYZARYDLTI-XGXHKWSGSA-N 1 3 370.497 0.915 20 0 FCADHO [NH3+][C@H](CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000424518224 247248274 /nfs/dbraw/zinc/24/82/74/247248274.db2.gz HNWGYTJXOLYAFS-RCCFBDPRSA-N 1 3 356.470 0.573 20 0 FCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000424444666 247218355 /nfs/dbraw/zinc/21/83/55/247218355.db2.gz DEAJUOHATUVJLH-QGZVFWFLSA-N 1 3 362.474 0.961 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@H]1C ZINC000425396793 247334855 /nfs/dbraw/zinc/33/48/55/247334855.db2.gz ZHYSHNSHOQTOBG-LTIDMASMSA-N 1 3 350.507 0.870 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@H]1C ZINC000425396793 247334856 /nfs/dbraw/zinc/33/48/56/247334856.db2.gz ZHYSHNSHOQTOBG-LTIDMASMSA-N 1 3 350.507 0.870 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179625 248349777 /nfs/dbraw/zinc/34/97/77/248349777.db2.gz ZTXZJCZAQHQQOK-LBTNJELSSA-N 1 3 354.495 0.223 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000444179625 248349778 /nfs/dbraw/zinc/34/97/78/248349778.db2.gz ZTXZJCZAQHQQOK-LBTNJELSSA-N 1 3 354.495 0.223 20 0 FCADHO CN1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000270973644 211310117 /nfs/dbraw/zinc/31/01/17/211310117.db2.gz KENYMQUONPNKIA-CABCVRRESA-N 1 3 362.474 0.857 20 0 FCADHO CN1CCC[C@H]1CNC(=O)c1ccoc1CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000270973644 211310118 /nfs/dbraw/zinc/31/01/18/211310118.db2.gz KENYMQUONPNKIA-CABCVRRESA-N 1 3 362.474 0.857 20 0 FCADHO CCOC(=O)COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000469990912 250018965 /nfs/dbraw/zinc/01/89/65/250018965.db2.gz KTZSLOOBHSFCFZ-MRXNPFEDSA-N 1 3 363.458 0.915 20 0 FCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000472759455 250178644 /nfs/dbraw/zinc/17/86/44/250178644.db2.gz ZXVPRUUITOVXFQ-NVXWUHKLSA-N 1 3 357.568 0.749 20 0 FCADHO C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)CN1CCN(C)CC1 ZINC000481697203 250349539 /nfs/dbraw/zinc/34/95/39/250349539.db2.gz PHWOLYJXRARBCK-WBVHZDCISA-N 1 3 357.568 0.606 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@@H+]1C ZINC000947072218 674144769 /nfs/dbraw/zinc/14/47/69/674144769.db2.gz BPEIAZZKZBAEPD-KBRIMQKVSA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC[N@H+]1C ZINC000947072218 674144770 /nfs/dbraw/zinc/14/47/70/674144770.db2.gz BPEIAZZKZBAEPD-KBRIMQKVSA-N 1 3 350.507 0.774 20 0 FCADHO CN1CCC(NC(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)n2)CC1 ZINC000054147774 208000959 /nfs/dbraw/zinc/00/09/59/208000959.db2.gz OZQLWIWQKMBSPS-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000121364024 208401671 /nfs/dbraw/zinc/40/16/71/208401671.db2.gz RAMNWQIBAANGAS-GOSISDBHSA-N 1 3 352.479 0.739 20 0 FCADHO CCCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1)[C@@H]1CC[NH2+]C1 ZINC000178890648 209063387 /nfs/dbraw/zinc/06/33/87/209063387.db2.gz KAHNFBLAPBJNHT-ZACQAIPSSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000247179588 533664187 /nfs/dbraw/zinc/66/41/87/533664187.db2.gz BHJVLWLNBCEWLJ-WBVHZDCISA-N 1 3 363.506 0.940 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000410779694 230247036 /nfs/dbraw/zinc/24/70/36/230247036.db2.gz MAMAKDWJFMJFOU-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000410779694 230247040 /nfs/dbraw/zinc/24/70/40/230247040.db2.gz MAMAKDWJFMJFOU-JKSUJKDBSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410956764 230326398 /nfs/dbraw/zinc/32/63/98/230326398.db2.gz ZKFQNWQPEUJCTQ-CVEARBPZSA-N 1 3 350.507 0.872 20 0 FCADHO CN(CC1(N(C)C)CCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410956764 230326401 /nfs/dbraw/zinc/32/64/01/230326401.db2.gz ZKFQNWQPEUJCTQ-CVEARBPZSA-N 1 3 350.507 0.872 20 0 FCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000933851471 674277132 /nfs/dbraw/zinc/27/71/32/674277132.db2.gz YOIVCWMCKRRFIQ-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000934259883 674289327 /nfs/dbraw/zinc/28/93/27/674289327.db2.gz LCJAFAYKALBWQF-QZTJIDSGSA-N 1 3 352.523 0.506 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278968275 488907681 /nfs/dbraw/zinc/90/76/81/488907681.db2.gz IQYDEIFLMKVBEI-CZUORRHYSA-N 1 3 362.478 0.159 20 0 FCADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364163019 488929856 /nfs/dbraw/zinc/92/98/56/488929856.db2.gz OITPGDCVDVWOLI-IRXDYDNUSA-N 1 3 356.511 0.849 20 0 FCADHO COC(=O)CNC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000364232365 488938905 /nfs/dbraw/zinc/93/89/05/488938905.db2.gz YUJWBXZJVQMXBU-HOTGVXAUSA-N 1 3 369.506 0.877 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000364283029 488943621 /nfs/dbraw/zinc/94/36/21/488943621.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 1 3 367.538 0.517 20 0 FCADHO COCCN1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000364283029 488943623 /nfs/dbraw/zinc/94/36/23/488943623.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 1 3 367.538 0.517 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 ZINC000050801513 488115715 /nfs/dbraw/zinc/11/57/15/488115715.db2.gz WNDXPQLYQAFESK-UHFFFAOYSA-N 1 3 369.473 0.951 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1=O ZINC000074058196 488387488 /nfs/dbraw/zinc/38/74/88/488387488.db2.gz UTCMSSVFDBMSOO-SJORKVTESA-N 1 3 350.507 0.731 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000185124441 488399266 /nfs/dbraw/zinc/39/92/66/488399266.db2.gz YTOZZPUCPIATBN-KRWDZBQOSA-N 1 3 368.570 0.338 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1n[nH]cc1Br ZINC000077838050 488418909 /nfs/dbraw/zinc/41/89/09/488418909.db2.gz GRUWOMWEWGXEBV-UHFFFAOYSA-N 1 3 361.288 0.807 20 0 FCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269256434 488483403 /nfs/dbraw/zinc/48/34/03/488483403.db2.gz SLTVLRKYRSLZOU-NVXWUHKLSA-N 1 3 360.458 0.701 20 0 FCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269256434 488483405 /nfs/dbraw/zinc/48/34/05/488483405.db2.gz SLTVLRKYRSLZOU-NVXWUHKLSA-N 1 3 360.458 0.701 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[N@@H+]1C1CC1 ZINC000247304818 488484463 /nfs/dbraw/zinc/48/44/63/488484463.db2.gz UZWIKQNTDGLANQ-BFYDXBDKSA-N 1 3 363.506 0.560 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[N@H+]1C1CC1 ZINC000247304818 488484466 /nfs/dbraw/zinc/48/44/66/488484466.db2.gz UZWIKQNTDGLANQ-BFYDXBDKSA-N 1 3 363.506 0.560 20 0 FCADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269279707 488486042 /nfs/dbraw/zinc/48/60/42/488486042.db2.gz ZYZVQFOUGGWQEI-DOTOQJQBSA-N 1 3 351.422 0.508 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)n1 ZINC000249731446 488513956 /nfs/dbraw/zinc/51/39/56/488513956.db2.gz AOLODKUJEQVPAD-HUUCEWRRSA-N 1 3 359.474 0.730 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)n1 ZINC000249731446 488513958 /nfs/dbraw/zinc/51/39/58/488513958.db2.gz AOLODKUJEQVPAD-HUUCEWRRSA-N 1 3 359.474 0.730 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000249942416 488515485 /nfs/dbraw/zinc/51/54/85/488515485.db2.gz WVSFSQJYGPCHPD-IAGOWNOFSA-N 1 3 359.474 0.730 20 0 FCADHO CN1CCC[C@@H]1CNC(=O)c1cncc(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000249942416 488515488 /nfs/dbraw/zinc/51/54/88/488515488.db2.gz WVSFSQJYGPCHPD-IAGOWNOFSA-N 1 3 359.474 0.730 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493355 488529591 /nfs/dbraw/zinc/52/95/91/488529591.db2.gz WJJWLHYRXRQBPF-HOTGVXAUSA-N 1 3 353.511 0.747 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000111493355 488529592 /nfs/dbraw/zinc/52/95/92/488529592.db2.gz WJJWLHYRXRQBPF-HOTGVXAUSA-N 1 3 353.511 0.747 20 0 FCADHO Cc1cc(NC(=O)CCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261687033 488530873 /nfs/dbraw/zinc/53/08/73/488530873.db2.gz CYJRSVFWLVRKLS-HUUCEWRRSA-N 1 3 363.462 0.892 20 0 FCADHO C[C@@H]1CCC[C@](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)(N(C)C)C1 ZINC000262029787 488547010 /nfs/dbraw/zinc/54/70/10/488547010.db2.gz BIYCJHKTTKVGLV-ZBFHGGJFSA-N 1 3 359.536 0.780 20 0 FCADHO CCOC(=O)C1CCC(O)(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000562988260 491206044 /nfs/dbraw/zinc/20/60/44/491206044.db2.gz VCXNHZGPAAXGFS-KOHRHEQBSA-N 1 3 369.506 0.648 20 0 FCADHO CCOC(=O)C1CCC(O)(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000562988260 491206048 /nfs/dbraw/zinc/20/60/48/491206048.db2.gz VCXNHZGPAAXGFS-KOHRHEQBSA-N 1 3 369.506 0.648 20 0 FCADHO COC[C@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000563064037 491211986 /nfs/dbraw/zinc/21/19/86/491211986.db2.gz OTIDEGCZWOACBP-IBGZPJMESA-N 1 3 361.490 0.336 20 0 FCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563077665 491213394 /nfs/dbraw/zinc/21/33/94/491213394.db2.gz NFCPHUOPTBOSJA-NJAFHUGGSA-N 1 3 358.486 0.881 20 0 FCADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152369510 488716760 /nfs/dbraw/zinc/71/67/60/488716760.db2.gz BBUHJNIFTGREEO-QGZVFWFLSA-N 1 3 360.506 0.789 20 0 FCADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152369510 488716762 /nfs/dbraw/zinc/71/67/62/488716762.db2.gz BBUHJNIFTGREEO-QGZVFWFLSA-N 1 3 360.506 0.789 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](O)COCC3CC3)CC2)CC1 ZINC000155024730 488749628 /nfs/dbraw/zinc/74/96/28/488749628.db2.gz OOCRTFOHSLYTLO-SFHVURJKSA-N 1 3 368.522 0.632 20 0 FCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136975 488762486 /nfs/dbraw/zinc/76/24/86/488762486.db2.gz WKYHCTRHVDKVPZ-IKGGRYGDSA-N 1 3 360.506 0.834 20 0 FCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000156136975 488762488 /nfs/dbraw/zinc/76/24/88/488762488.db2.gz WKYHCTRHVDKVPZ-IKGGRYGDSA-N 1 3 360.506 0.834 20 0 FCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000176013661 488856883 /nfs/dbraw/zinc/85/68/83/488856883.db2.gz HTMXGOLJJSDLLT-FUHWJXTLSA-N 1 3 354.539 0.779 20 0 FCADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380981 488859367 /nfs/dbraw/zinc/85/93/67/488859367.db2.gz LDGPMVAVOZCYHO-CQSZACIVSA-N 1 3 355.527 0.957 20 0 FCADHO [NH3+]CCc1nc(C(=O)NCCCN2CCN(c3ccncc3)CC2)cs1 ZINC000279919244 488975642 /nfs/dbraw/zinc/97/56/42/488975642.db2.gz MZVNLFYJZHTBJK-UHFFFAOYSA-N 1 3 374.514 0.981 20 0 FCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CN1C1CC1 ZINC000289036047 489037830 /nfs/dbraw/zinc/03/78/30/489037830.db2.gz WHMNWSKZZKNFLV-LSDHHAIUSA-N 1 3 362.474 0.911 20 0 FCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000330298785 489088983 /nfs/dbraw/zinc/08/89/83/489088983.db2.gz HPKVNYGUGLDDAY-HZPDHXFCSA-N 1 3 366.506 0.108 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330948683 489160261 /nfs/dbraw/zinc/16/02/61/489160261.db2.gz IYURRZAVHCWDIR-UHFFFAOYSA-N 1 3 374.551 0.331 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331390845 489205391 /nfs/dbraw/zinc/20/53/91/489205391.db2.gz JJVNCKQRQXQUNR-IAGOWNOFSA-N 1 3 350.507 0.776 20 0 FCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000331447064 489212702 /nfs/dbraw/zinc/21/27/02/489212702.db2.gz CFFKYZGJSJIRIR-JJXSEGSLSA-N 1 3 350.507 0.727 20 0 FCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331460420 489214254 /nfs/dbraw/zinc/21/42/54/489214254.db2.gz YWTWRAIHPVUPTQ-IAGOWNOFSA-N 1 3 350.507 0.918 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000570423571 491239884 /nfs/dbraw/zinc/23/98/84/491239884.db2.gz QDJODDVVEHEFKS-UHFFFAOYSA-N 1 3 350.507 0.920 20 0 FCADHO COC(=O)C1CCN(CCCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000563375786 491240353 /nfs/dbraw/zinc/24/03/53/491240353.db2.gz FERSGDPDQPNMGC-UHFFFAOYSA-N 1 3 365.478 0.450 20 0 FCADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1CCO ZINC000369463746 489241197 /nfs/dbraw/zinc/24/11/97/489241197.db2.gz OYUHGJSKSZYGJI-BBWFWOEESA-N 1 3 367.538 0.251 20 0 FCADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1CCO ZINC000369463746 489241198 /nfs/dbraw/zinc/24/11/98/489241198.db2.gz OYUHGJSKSZYGJI-BBWFWOEESA-N 1 3 367.538 0.251 20 0 FCADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1CCO ZINC000369463746 489241200 /nfs/dbraw/zinc/24/12/00/489241200.db2.gz OYUHGJSKSZYGJI-BBWFWOEESA-N 1 3 367.538 0.251 20 0 FCADHO CC[NH+]1CCC(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000283335141 489246405 /nfs/dbraw/zinc/24/64/05/489246405.db2.gz GONCILIQVVAVGL-UHFFFAOYSA-N 1 3 372.513 0.802 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369738424 489269061 /nfs/dbraw/zinc/26/90/61/489269061.db2.gz XVWYCBDPMJJMLO-CGTJXYLNSA-N 1 3 366.506 0.744 20 0 FCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369738424 489269065 /nfs/dbraw/zinc/26/90/65/489269065.db2.gz XVWYCBDPMJJMLO-CGTJXYLNSA-N 1 3 366.506 0.744 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1=O ZINC000369911347 489290338 /nfs/dbraw/zinc/29/03/38/489290338.db2.gz KVPJTMFWHOPPBM-PNKHAZJDSA-N 1 3 362.518 0.905 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000285934471 489335408 /nfs/dbraw/zinc/33/54/08/489335408.db2.gz FRIIZCXRDDEIAN-KRWDZBQOSA-N 1 3 352.454 0.815 20 0 FCADHO CN(CCC(=O)N1CCN(C)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000370592480 489379583 /nfs/dbraw/zinc/37/95/83/489379583.db2.gz GVRMMEJNWUVIOS-OAQYLSRUSA-N 1 3 374.529 0.719 20 0 FCADHO CN(CCC(=O)N1CCN(C)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000370592480 489379585 /nfs/dbraw/zinc/37/95/85/489379585.db2.gz GVRMMEJNWUVIOS-OAQYLSRUSA-N 1 3 374.529 0.719 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371225173 489469053 /nfs/dbraw/zinc/46/90/53/489469053.db2.gz GVOTXSZTIRRPPK-QZTJIDSGSA-N 1 3 369.554 0.622 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371225173 489469054 /nfs/dbraw/zinc/46/90/54/489469054.db2.gz GVOTXSZTIRRPPK-QZTJIDSGSA-N 1 3 369.554 0.622 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423105309 489493392 /nfs/dbraw/zinc/49/33/92/489493392.db2.gz YZEPSOAXUSUWMP-LJQANCHMSA-N 1 3 364.465 0.913 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000423158837 489498286 /nfs/dbraw/zinc/49/82/86/489498286.db2.gz DOBDISASQDWEKE-HOTGVXAUSA-N 1 3 362.474 0.546 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])o1 ZINC000423169447 489499128 /nfs/dbraw/zinc/49/91/28/489499128.db2.gz JYIHRSCDKHOCDT-UHFFFAOYSA-N 1 3 352.479 0.922 20 0 FCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423195533 489501196 /nfs/dbraw/zinc/50/11/96/489501196.db2.gz SVACHQHWKGWQKK-MRXNPFEDSA-N 1 3 354.495 0.143 20 0 FCADHO C[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000423205213 489502504 /nfs/dbraw/zinc/50/25/04/489502504.db2.gz DWWLROGWROSIBS-INIZCTEOSA-N 1 3 354.495 0.014 20 0 FCADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423212412 489503551 /nfs/dbraw/zinc/50/35/51/489503551.db2.gz LTTXFYLGUQORFA-DOTOQJQBSA-N 1 3 362.449 0.633 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423219443 489504623 /nfs/dbraw/zinc/50/46/23/489504623.db2.gz WSOXYJGJYDDOFC-HOTGVXAUSA-N 1 3 354.495 0.143 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423219445 489504683 /nfs/dbraw/zinc/50/46/83/489504683.db2.gz WSOXYJGJYDDOFC-JKSUJKDBSA-N 1 3 354.495 0.143 20 0 FCADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423265439 489509451 /nfs/dbraw/zinc/50/94/51/489509451.db2.gz RAXQKRXSVODFEM-HOTGVXAUSA-N 1 3 356.511 0.247 20 0 FCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000415387335 489516886 /nfs/dbraw/zinc/51/68/86/489516886.db2.gz YGVURRFCZZALRQ-UHFFFAOYSA-N 1 3 361.490 0.616 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c(C)c2)CC1 ZINC000415380459 489517110 /nfs/dbraw/zinc/51/71/10/489517110.db2.gz LSHSYNQBNJDUCF-UHFFFAOYSA-N 1 3 361.490 0.929 20 0 FCADHO CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c2)CC1 ZINC000415410580 489517827 /nfs/dbraw/zinc/51/78/27/489517827.db2.gz AANVZKKAVBSDTL-HNNXBMFYSA-N 1 3 361.490 0.961 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2)CC1 ZINC000415431499 489520482 /nfs/dbraw/zinc/52/04/82/489520482.db2.gz GMCIOMPOGKNKHJ-QAPCUYQASA-N 1 3 373.501 0.963 20 0 FCADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000415465637 489523115 /nfs/dbraw/zinc/52/31/15/489523115.db2.gz SKDXSHRJYZLZIH-WFASDCNBSA-N 1 3 366.437 0.900 20 0 FCADHO Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1OCCN(C)C ZINC000415605084 489535899 /nfs/dbraw/zinc/53/58/99/489535899.db2.gz NSNLJZGKFGCMJS-HNNXBMFYSA-N 1 3 364.446 0.060 20 0 FCADHO COC[C@]1(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CCC[NH2+]1 ZINC000415713170 489544678 /nfs/dbraw/zinc/54/46/78/489544678.db2.gz WLTAKLRXKQMYQK-LJQANCHMSA-N 1 3 362.474 0.880 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115696 489546940 /nfs/dbraw/zinc/54/69/40/489546940.db2.gz IPKHZQHPDITWDR-SJLPKXTDSA-N 1 3 352.523 0.772 20 0 FCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000372115696 489546944 /nfs/dbraw/zinc/54/69/44/489546944.db2.gz IPKHZQHPDITWDR-SJLPKXTDSA-N 1 3 352.523 0.772 20 0 FCADHO CN(CC[NH3+])C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415880641 489563003 /nfs/dbraw/zinc/56/30/03/489563003.db2.gz SKYINCQTVYSAPA-UHFFFAOYSA-N 1 3 350.488 0.634 20 0 FCADHO COc1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000555660384 491262998 /nfs/dbraw/zinc/26/29/98/491262998.db2.gz DDJRVSBPNLZGBB-UHFFFAOYSA-N 1 3 350.463 0.263 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416007257 489567339 /nfs/dbraw/zinc/56/73/39/489567339.db2.gz MLCFDHKYNLWMLL-RYUDHWBXSA-N 1 3 365.400 0.214 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000555660925 491263416 /nfs/dbraw/zinc/26/34/16/491263416.db2.gz NDXZCHZYOIHOJN-GDBMZVCRSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)n2)CC1 ZINC000427107013 489594353 /nfs/dbraw/zinc/59/43/53/489594353.db2.gz HPNNGFPBBRUWCF-UHFFFAOYSA-N 1 3 362.478 0.690 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128036 489595874 /nfs/dbraw/zinc/59/58/74/489595874.db2.gz JFEYXALUJKYFTF-JKSUJKDBSA-N 1 3 374.489 0.831 20 0 FCADHO CN1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000427128036 489595875 /nfs/dbraw/zinc/59/58/75/489595875.db2.gz JFEYXALUJKYFTF-JKSUJKDBSA-N 1 3 374.489 0.831 20 0 FCADHO CN(C)CCn1nccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000455661186 489598102 /nfs/dbraw/zinc/59/81/02/489598102.db2.gz TVLZQHGIIIIEPJ-HNNXBMFYSA-N 1 3 352.483 0.803 20 0 FCADHO CN(C)CCn1nccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000455661186 489598105 /nfs/dbraw/zinc/59/81/05/489598105.db2.gz TVLZQHGIIIIEPJ-HNNXBMFYSA-N 1 3 352.483 0.803 20 0 FCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000427542697 489613766 /nfs/dbraw/zinc/61/37/66/489613766.db2.gz ZKEZPSYRRVJMPY-ZBFHGGJFSA-N 1 3 374.489 0.783 20 0 FCADHO CN(CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000417234165 489645499 /nfs/dbraw/zinc/64/54/99/489645499.db2.gz UNJUDZOVTHDCGY-KRWDZBQOSA-N 1 3 361.490 0.615 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417419660 489651715 /nfs/dbraw/zinc/65/17/15/489651715.db2.gz DGKXPMWGAYTAPA-JKSUJKDBSA-N 1 3 353.511 0.618 20 0 FCADHO C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000417430842 489652520 /nfs/dbraw/zinc/65/25/20/489652520.db2.gz QDNMNCCYFPATPD-PMPSAXMXSA-N 1 3 353.511 0.698 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417431057 489652526 /nfs/dbraw/zinc/65/25/26/489652526.db2.gz QKHCNZLOJLURAO-HOTGVXAUSA-N 1 3 355.527 0.944 20 0 FCADHO CCCN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CC[NH2+]C1 ZINC000417427973 489652846 /nfs/dbraw/zinc/65/28/46/489652846.db2.gz KBOHSVGPCLBLBE-HOTGVXAUSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000417526581 489657116 /nfs/dbraw/zinc/65/71/16/489657116.db2.gz MSQYWIUHAYLHJV-KRWDZBQOSA-N 1 3 363.506 0.372 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417572042 489658708 /nfs/dbraw/zinc/65/87/08/489658708.db2.gz YACAIIAPPHUQMN-GOEBONIOSA-N 1 3 353.511 0.746 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000458236020 489674391 /nfs/dbraw/zinc/67/43/91/489674391.db2.gz KBRXAYDDDMYZBR-KRWDZBQOSA-N 1 3 356.511 0.633 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448330 489684445 /nfs/dbraw/zinc/68/44/45/489684445.db2.gz XTYFKDQGVSEHDB-APWZRJJASA-N 1 3 365.522 0.701 20 0 FCADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)C1 ZINC000458448330 489684447 /nfs/dbraw/zinc/68/44/47/489684447.db2.gz XTYFKDQGVSEHDB-APWZRJJASA-N 1 3 365.522 0.701 20 0 FCADHO O=C(CNC(=O)NCC[C@@H]1CCC[NH2+]C1)NCCN1CCCCCC1 ZINC000418343402 489692895 /nfs/dbraw/zinc/69/28/95/489692895.db2.gz JMPVLTATAYPJHD-INIZCTEOSA-N 1 3 353.511 0.668 20 0 FCADHO COCCNCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000418513184 489703018 /nfs/dbraw/zinc/70/30/18/489703018.db2.gz URTKYLCWMIKPQU-IRXDYDNUSA-N 1 3 355.527 0.422 20 0 FCADHO O=C(CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000418658528 489716600 /nfs/dbraw/zinc/71/66/00/489716600.db2.gz KEMLPIHGLBEKDL-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000418733222 489720857 /nfs/dbraw/zinc/72/08/57/489720857.db2.gz VBKRYNFVNAPGDK-JKSUJKDBSA-N 1 3 353.511 0.795 20 0 FCADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563875259 491273984 /nfs/dbraw/zinc/27/39/84/491273984.db2.gz DWZOAWTWKKEHBD-UONOGXRCSA-N 1 3 365.444 0.806 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418762320 489724034 /nfs/dbraw/zinc/72/40/34/489724034.db2.gz LTOQCNPPFMGFDR-HNNXBMFYSA-N 1 3 369.460 0.942 20 0 FCADHO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418773810 489724921 /nfs/dbraw/zinc/72/49/21/489724921.db2.gz UTYOKSNXOKIWJP-QGZVFWFLSA-N 1 3 356.511 0.755 20 0 FCADHO COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418773810 489724924 /nfs/dbraw/zinc/72/49/24/489724924.db2.gz UTYOKSNXOKIWJP-QGZVFWFLSA-N 1 3 356.511 0.755 20 0 FCADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418774520 489726236 /nfs/dbraw/zinc/72/62/36/489726236.db2.gz YWRMCMPOHMNNGB-MOPGFXCFSA-N 1 3 374.533 0.981 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](CN)C1 ZINC000418819685 489737117 /nfs/dbraw/zinc/73/71/17/489737117.db2.gz KDTVOJPPXZMGNT-HUUCEWRRSA-N 1 3 354.495 0.189 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000418831807 489744448 /nfs/dbraw/zinc/74/44/48/489744448.db2.gz GPXDHIYLAHGEAY-ZWKOTPCHSA-N 1 3 360.502 0.909 20 0 FCADHO [NH3+]CC1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000430606044 489751746 /nfs/dbraw/zinc/75/17/46/489751746.db2.gz VJETXAQIFDBUHT-UHFFFAOYSA-N 1 3 350.488 0.703 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474307969 489752760 /nfs/dbraw/zinc/75/27/60/489752760.db2.gz UCFPXMGACDLRCG-VMGRFDJRSA-N 1 3 368.428 0.626 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474307966 489752820 /nfs/dbraw/zinc/75/28/20/489752820.db2.gz UCFPXMGACDLRCG-MJEQTWJJSA-N 1 3 368.428 0.626 20 0 FCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474307967 489752855 /nfs/dbraw/zinc/75/28/55/489752855.db2.gz UCFPXMGACDLRCG-NUTKFTJISA-N 1 3 368.428 0.626 20 0 FCADHO CN(C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000418849760 489755550 /nfs/dbraw/zinc/75/55/50/489755550.db2.gz NFCQFZPPHRSTKC-KURKYZTESA-N 1 3 358.486 0.343 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000418855428 489759766 /nfs/dbraw/zinc/75/97/66/489759766.db2.gz DHCQIIKSGONBEP-HZPDHXFCSA-N 1 3 368.522 0.579 20 0 FCADHO CN(C(=O)c1ccc(NC(=O)COC2C[NH2+]C2)cc1)[C@H]1CCCN(C)C1 ZINC000430788539 489770451 /nfs/dbraw/zinc/77/04/51/489770451.db2.gz CIGJUKZVGYLYNG-INIZCTEOSA-N 1 3 360.458 0.780 20 0 FCADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418878999 489770736 /nfs/dbraw/zinc/77/07/36/489770736.db2.gz MVLMNFUEPWSAGQ-GOEBONIOSA-N 1 3 354.495 0.237 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000418879707 489772071 /nfs/dbraw/zinc/77/20/71/489772071.db2.gz NXFLMHGWVBQNEG-YYIAUSFCSA-N 1 3 366.506 0.189 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000418879706 489772492 /nfs/dbraw/zinc/77/24/92/489772492.db2.gz NXFLMHGWVBQNEG-TWMKSMIVSA-N 1 3 366.506 0.189 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418879944 489772752 /nfs/dbraw/zinc/77/27/52/489772752.db2.gz OFWMGQWICXTCLM-CVEARBPZSA-N 1 3 356.511 0.435 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430874899 489774218 /nfs/dbraw/zinc/77/42/18/489774218.db2.gz JACOWGALOKZFIU-YVSFHVDLSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430878766 489774776 /nfs/dbraw/zinc/77/47/76/489774776.db2.gz PRCARCHYQWGSES-NPYXIHBLSA-N 1 3 350.507 0.966 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000459896051 489783775 /nfs/dbraw/zinc/78/37/75/489783775.db2.gz DVIPJZFDQBMHJK-LJQANCHMSA-N 1 3 352.523 0.977 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000459896051 489783778 /nfs/dbraw/zinc/78/37/78/489783778.db2.gz DVIPJZFDQBMHJK-LJQANCHMSA-N 1 3 352.523 0.977 20 0 FCADHO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431037565 489786961 /nfs/dbraw/zinc/78/69/61/489786961.db2.gz OMRNLWQMALDSKJ-INIZCTEOSA-N 1 3 358.490 0.589 20 0 FCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000570991091 491278752 /nfs/dbraw/zinc/27/87/52/491278752.db2.gz TXQDWFYYGDVKCC-SJORKVTESA-N 1 3 350.507 0.779 20 0 FCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431092364 489789099 /nfs/dbraw/zinc/78/90/99/489789099.db2.gz AWMKCMFAJKCMAK-ZDUSSCGKSA-N 1 3 355.401 0.316 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941817 489797876 /nfs/dbraw/zinc/79/78/76/489797876.db2.gz WKSRAIILFADLQZ-JKSUJKDBSA-N 1 3 368.522 0.988 20 0 FCADHO C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CN1C1CC1 ZINC000431280880 489798945 /nfs/dbraw/zinc/79/89/45/489798945.db2.gz CQMGUTGRJTYOIE-HZPDHXFCSA-N 1 3 365.522 0.903 20 0 FCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555888471 491279445 /nfs/dbraw/zinc/27/94/45/491279445.db2.gz SFNSRDJWIPPIBX-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000555888471 491279447 /nfs/dbraw/zinc/27/94/47/491279447.db2.gz SFNSRDJWIPPIBX-OAHLLOKOSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC000555895245 491280418 /nfs/dbraw/zinc/28/04/18/491280418.db2.gz OYUXMOYXIQYNOP-UHFFFAOYSA-N 1 3 356.417 0.533 20 0 FCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000459997726 489812673 /nfs/dbraw/zinc/81/26/73/489812673.db2.gz TYBAVOJXWTXQLF-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000459997726 489812676 /nfs/dbraw/zinc/81/26/76/489812676.db2.gz TYBAVOJXWTXQLF-IRXDYDNUSA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)C1(CNc2nc3c(c(NCC4([NH+](C)C)CC4)n2)SCC3)CC1 ZINC000419005136 489815083 /nfs/dbraw/zinc/81/50/83/489815083.db2.gz FSWRMZUOEBLITJ-UHFFFAOYSA-N 1 3 362.547 0.981 20 0 FCADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419024839 489822274 /nfs/dbraw/zinc/82/22/74/489822274.db2.gz LCRZSXVYFZXHDX-GASCZTMLSA-N 1 3 356.511 0.211 20 0 FCADHO COCCNCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419024839 489822278 /nfs/dbraw/zinc/82/22/78/489822278.db2.gz LCRZSXVYFZXHDX-GASCZTMLSA-N 1 3 356.511 0.211 20 0 FCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419024766 489822416 /nfs/dbraw/zinc/82/24/16/489822416.db2.gz LANVJDDPBJQJSA-BPKGMFCQSA-N 1 3 350.507 0.727 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419023947 489822521 /nfs/dbraw/zinc/82/25/21/489822521.db2.gz KMIDDWJGBBIBSF-OXODIDRGSA-N 1 3 364.534 0.973 20 0 FCADHO CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419030256 489825137 /nfs/dbraw/zinc/82/51/37/489825137.db2.gz SVVMWUAXXBMADF-WRQOLXDDSA-N 1 3 368.522 0.434 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419034020 489827061 /nfs/dbraw/zinc/82/70/61/489827061.db2.gz YYECRCSKLMMUCB-BPKGMFCQSA-N 1 3 352.523 0.912 20 0 FCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419034024 489827638 /nfs/dbraw/zinc/82/76/38/489827638.db2.gz YYECRCSKLMMUCB-QEOTZNIISA-N 1 3 352.523 0.912 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419037913 489828984 /nfs/dbraw/zinc/82/89/84/489828984.db2.gz DQOSVXMCQMPHEG-WBVHZDCISA-N 1 3 368.522 0.720 20 0 FCADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419037911 489829601 /nfs/dbraw/zinc/82/96/01/489829601.db2.gz DQOSVXMCQMPHEG-NVXWUHKLSA-N 1 3 368.522 0.720 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CN)[C@@H](C)C1 ZINC000419043228 489831161 /nfs/dbraw/zinc/83/11/61/489831161.db2.gz QVCVLURFKPFUOE-ULQDDVLXSA-N 1 3 368.522 0.579 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CN)[C@@H](C)C1 ZINC000419043228 489831165 /nfs/dbraw/zinc/83/11/65/489831165.db2.gz QVCVLURFKPFUOE-ULQDDVLXSA-N 1 3 368.522 0.579 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN)[C@H](C)C1 ZINC000419044622 489832363 /nfs/dbraw/zinc/83/23/63/489832363.db2.gz UKRFSRHESZZXFS-OAGGEKHMSA-N 1 3 354.495 0.189 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN)[C@H](C)C1 ZINC000419044622 489832366 /nfs/dbraw/zinc/83/23/66/489832366.db2.gz UKRFSRHESZZXFS-OAGGEKHMSA-N 1 3 354.495 0.189 20 0 FCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000419068566 489843941 /nfs/dbraw/zinc/84/39/41/489843941.db2.gz FQLUYWQVSYLKFN-YOEHRIQHSA-N 1 3 364.490 1.000 20 0 FCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460082172 489846909 /nfs/dbraw/zinc/84/69/09/489846909.db2.gz ZVAOGUJHVSSPNQ-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000460082172 489846913 /nfs/dbraw/zinc/84/69/13/489846913.db2.gz ZVAOGUJHVSSPNQ-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000460261784 489859268 /nfs/dbraw/zinc/85/92/68/489859268.db2.gz RQJXEAHFOBLYRW-ICSRJNTNSA-N 1 3 360.502 0.917 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000460261784 489859273 /nfs/dbraw/zinc/85/92/73/489859273.db2.gz RQJXEAHFOBLYRW-ICSRJNTNSA-N 1 3 360.502 0.917 20 0 FCADHO CN1CC[C@](O)(CNC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000460268443 489860715 /nfs/dbraw/zinc/86/07/15/489860715.db2.gz HQWFGOQDEIRPEX-IBGZPJMESA-N 1 3 364.490 0.535 20 0 FCADHO CN1CC[C@@](O)(CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000460276284 489861710 /nfs/dbraw/zinc/86/17/10/489861710.db2.gz XMPCYPIHALXRQB-GOSISDBHSA-N 1 3 350.463 0.493 20 0 FCADHO [NH3+]C1CCN(CCCC(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000433165447 489870058 /nfs/dbraw/zinc/87/00/58/489870058.db2.gz URMVMFMOGXXNRG-QGZVFWFLSA-N 1 3 352.523 0.761 20 0 FCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000420027127 489885260 /nfs/dbraw/zinc/88/52/60/489885260.db2.gz CUBBOWZXJRAFAF-ZBFHGGJFSA-N 1 3 368.522 0.796 20 0 FCADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420037663 489888970 /nfs/dbraw/zinc/88/89/70/489888970.db2.gz UWIWTODHBUJLQU-WMZOPIPTSA-N 1 3 358.486 0.820 20 0 FCADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420037663 489888975 /nfs/dbraw/zinc/88/89/75/489888975.db2.gz UWIWTODHBUJLQU-WMZOPIPTSA-N 1 3 358.486 0.820 20 0 FCADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000420053150 489894658 /nfs/dbraw/zinc/89/46/58/489894658.db2.gz IMMRAZGZNBNGIH-GJZGRUSLSA-N 1 3 368.522 0.578 20 0 FCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420060250 489898085 /nfs/dbraw/zinc/89/80/85/489898085.db2.gz KXEYHMSSCHLPSR-GDBMZVCRSA-N 1 3 350.463 0.804 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420065367 489899863 /nfs/dbraw/zinc/89/98/63/489899863.db2.gz POPYOSSWBZJOOF-JKIFEVAISA-N 1 3 366.506 0.188 20 0 FCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420075458 489904540 /nfs/dbraw/zinc/90/45/40/489904540.db2.gz SMRVJANHNWNPQF-NVXWUHKLSA-N 1 3 350.507 0.810 20 0 FCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420075458 489904545 /nfs/dbraw/zinc/90/45/45/489904545.db2.gz SMRVJANHNWNPQF-NVXWUHKLSA-N 1 3 350.507 0.810 20 0 FCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000420153576 489933610 /nfs/dbraw/zinc/93/36/10/489933610.db2.gz ZZJSNHRLDKSGAC-YJBOKZPZSA-N 1 3 373.501 0.871 20 0 FCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420163941 489937194 /nfs/dbraw/zinc/93/71/94/489937194.db2.gz LLHFZZBKNUQNNH-OAGGEKHMSA-N 1 3 350.507 0.966 20 0 FCADHO CN(C)C1(CNC(=O)c2cccc(C(=O)NCC3([NH+](C)C)CC3)n2)CC1 ZINC000420170284 489938800 /nfs/dbraw/zinc/93/88/00/489938800.db2.gz LZUFADWQUMUSON-UHFFFAOYSA-N 1 3 359.474 0.730 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000420187469 489945017 /nfs/dbraw/zinc/94/50/17/489945017.db2.gz RJQYUFNLNALNFN-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO COCCNCCNC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000420187469 489945021 /nfs/dbraw/zinc/94/50/21/489945021.db2.gz RJQYUFNLNALNFN-IRXDYDNUSA-N 1 3 368.522 0.452 20 0 FCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189088 489945809 /nfs/dbraw/zinc/94/58/09/489945809.db2.gz NOSMGMBDEXQKLM-MRXNPFEDSA-N 1 3 356.511 0.308 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420190740 489946994 /nfs/dbraw/zinc/94/69/94/489946994.db2.gz HFVZSZAEUWAMBK-ZBFHGGJFSA-N 1 3 364.465 0.960 20 0 FCADHO C[C@@H]1COCCN1C(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420196909 489948740 /nfs/dbraw/zinc/94/87/40/489948740.db2.gz AEUOQPWNMZRUFV-MRXNPFEDSA-N 1 3 374.485 0.343 20 0 FCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420206297 489952461 /nfs/dbraw/zinc/95/24/61/489952461.db2.gz PYPCUDZKCMVGHO-ZIAGYGMSSA-N 1 3 352.504 0.882 20 0 FCADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305635 489961929 /nfs/dbraw/zinc/96/19/29/489961929.db2.gz ZBKQUGHIKYTMDQ-MSOLQXFVSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305635 489961930 /nfs/dbraw/zinc/96/19/30/489961930.db2.gz ZBKQUGHIKYTMDQ-MSOLQXFVSA-N 1 3 360.502 0.881 20 0 FCADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000420305635 489961934 /nfs/dbraw/zinc/96/19/34/489961934.db2.gz ZBKQUGHIKYTMDQ-MSOLQXFVSA-N 1 3 360.502 0.881 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000556066053 491291570 /nfs/dbraw/zinc/29/15/70/491291570.db2.gz UFYXBBPNVLWLLB-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000556066053 491291572 /nfs/dbraw/zinc/29/15/72/491291572.db2.gz UFYXBBPNVLWLLB-INIZCTEOSA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000420373299 489968994 /nfs/dbraw/zinc/96/89/94/489968994.db2.gz GAEANMIKSNDTRC-RYQLBKOJSA-N 1 3 352.523 0.757 20 0 FCADHO CC1(C)NC(=O)N(CCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000420390302 489970420 /nfs/dbraw/zinc/97/04/20/489970420.db2.gz ZHYVZAKOIIHIOJ-HUUCEWRRSA-N 1 3 352.479 0.925 20 0 FCADHO CC1(C)NC(=O)N(CCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000420390300 489970499 /nfs/dbraw/zinc/97/04/99/489970499.db2.gz ZHYVZAKOIIHIOJ-GJZGRUSLSA-N 1 3 352.479 0.925 20 0 FCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000420392352 489971951 /nfs/dbraw/zinc/97/19/51/489971951.db2.gz PJSDUKOERWEDNN-RYQLBKOJSA-N 1 3 352.523 0.757 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420415562 489973220 /nfs/dbraw/zinc/97/32/20/489973220.db2.gz BCJDYTBNWDCNSU-IUODEOHRSA-N 1 3 357.524 0.809 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000477619465 489978611 /nfs/dbraw/zinc/97/86/11/489978611.db2.gz XXQWHVJTJOCLPZ-UHFFFAOYSA-N 1 3 366.506 0.300 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000477627516 489979184 /nfs/dbraw/zinc/97/91/84/489979184.db2.gz PQTUNKANLNRKBQ-UHFFFAOYSA-N 1 3 368.522 0.452 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000477626595 489979577 /nfs/dbraw/zinc/97/95/77/489979577.db2.gz LTPVDYPEJZEKCU-HZPDHXFCSA-N 1 3 354.495 0.202 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420459021 489980574 /nfs/dbraw/zinc/98/05/74/489980574.db2.gz CXFMPDOTGVUJNZ-GJZGRUSLSA-N 1 3 357.524 0.857 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000477650082 489981589 /nfs/dbraw/zinc/98/15/89/489981589.db2.gz XKYIOHRHISIOGZ-CQSZACIVSA-N 1 3 356.511 0.306 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420473206 489982687 /nfs/dbraw/zinc/98/26/87/489982687.db2.gz DGZZEINAJMKIJN-SWLSCSKDSA-N 1 3 357.524 0.667 20 0 FCADHO COCCN1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000477705995 489986602 /nfs/dbraw/zinc/98/66/02/489986602.db2.gz WSSGTSMSYMRLIC-UHFFFAOYSA-N 1 3 354.495 0.062 20 0 FCADHO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000378132413 490014419 /nfs/dbraw/zinc/01/44/19/490014419.db2.gz QBUQGPFIQGGDSA-QGZVFWFLSA-N 1 3 361.490 0.418 20 0 FCADHO O=C(CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1cccnc1 ZINC000478539486 490023716 /nfs/dbraw/zinc/02/37/16/490023716.db2.gz FKODEDWFXPYIHF-WBVHZDCISA-N 1 3 359.474 0.990 20 0 FCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000378395846 490059181 /nfs/dbraw/zinc/05/91/81/490059181.db2.gz CDHAAGVIEPABTQ-IAGOWNOFSA-N 1 3 362.518 0.921 20 0 FCADHO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443061169 490065791 /nfs/dbraw/zinc/06/57/91/490065791.db2.gz RAQCYZOLSZBZBW-INIZCTEOSA-N 1 3 367.538 0.106 20 0 FCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000443057438 490065909 /nfs/dbraw/zinc/06/59/09/490065909.db2.gz GOYHCLZXMLKMKJ-INIZCTEOSA-N 1 3 350.507 0.908 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000571280977 491297685 /nfs/dbraw/zinc/29/76/85/491297685.db2.gz YKOBBBQFPSLYAF-INIZCTEOSA-N 1 3 372.473 0.901 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000421727327 490102196 /nfs/dbraw/zinc/10/21/96/490102196.db2.gz WMARJORJUTWQJS-PBHICJAKSA-N 1 3 356.536 0.388 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000421727327 490102203 /nfs/dbraw/zinc/10/22/03/490102203.db2.gz WMARJORJUTWQJS-PBHICJAKSA-N 1 3 356.536 0.388 20 0 FCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496327614 490114123 /nfs/dbraw/zinc/11/41/23/490114123.db2.gz MENZKGXSWYWQDF-UHFFFAOYSA-N 1 3 369.554 0.319 20 0 FCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)o1 ZINC000571394916 491304549 /nfs/dbraw/zinc/30/45/49/491304549.db2.gz YRJDUNMGYYEBNO-HNNXBMFYSA-N 1 3 350.463 0.676 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477537 490123843 /nfs/dbraw/zinc/12/38/43/490123843.db2.gz OVDHCNPHQVPREB-INIZCTEOSA-N 1 3 353.511 0.570 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCNC(=O)C1CC1 ZINC000465477537 490123849 /nfs/dbraw/zinc/12/38/49/490123849.db2.gz OVDHCNPHQVPREB-INIZCTEOSA-N 1 3 353.511 0.570 20 0 FCADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000388418553 490133891 /nfs/dbraw/zinc/13/38/91/490133891.db2.gz PNLAMYCECOIYHD-GOSISDBHSA-N 1 3 358.486 0.837 20 0 FCADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCCNCC1 ZINC000388418553 490133899 /nfs/dbraw/zinc/13/38/99/490133899.db2.gz PNLAMYCECOIYHD-GOSISDBHSA-N 1 3 358.486 0.837 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000465915582 490150571 /nfs/dbraw/zinc/15/05/71/490150571.db2.gz AFENOTBQZIXZSD-KRWDZBQOSA-N 1 3 355.527 0.160 20 0 FCADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000465915582 490150577 /nfs/dbraw/zinc/15/05/77/490150577.db2.gz AFENOTBQZIXZSD-KRWDZBQOSA-N 1 3 355.527 0.160 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000446801192 490165300 /nfs/dbraw/zinc/16/53/00/490165300.db2.gz IKKKUQJIZHSSPI-GJZGRUSLSA-N 1 3 364.494 0.714 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000446801192 490165308 /nfs/dbraw/zinc/16/53/08/490165308.db2.gz IKKKUQJIZHSSPI-GJZGRUSLSA-N 1 3 364.494 0.714 20 0 FCADHO C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)CN1CCN(C)CC1 ZINC000466130777 490168330 /nfs/dbraw/zinc/16/83/30/490168330.db2.gz JBZHZGSLGLTKPC-QZTJIDSGSA-N 1 3 369.554 0.262 20 0 FCADHO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)CCN(C)C)CC2)CC1 ZINC000422123665 490175504 /nfs/dbraw/zinc/17/55/04/490175504.db2.gz YLNZORBWLIEKBV-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676577 490192654 /nfs/dbraw/zinc/19/26/54/490192654.db2.gz IIDKKTAWMFBRMN-QZTJIDSGSA-N 1 3 367.538 0.112 20 0 FCADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)[C@@H]2C1 ZINC000497676577 490192662 /nfs/dbraw/zinc/19/26/62/490192662.db2.gz IIDKKTAWMFBRMN-QZTJIDSGSA-N 1 3 367.538 0.112 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000571418784 491306557 /nfs/dbraw/zinc/30/65/57/491306557.db2.gz NNJZABZOMPKREG-RBUKOAKNSA-N 1 3 359.518 0.848 20 0 FCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000521273831 490243456 /nfs/dbraw/zinc/24/34/56/490243456.db2.gz IEQDTCNEIWSYQF-OALUTQOASA-N 1 3 372.513 0.878 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422344039 490269392 /nfs/dbraw/zinc/26/93/92/490269392.db2.gz USASOMCAOFDZBE-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422344039 490269400 /nfs/dbraw/zinc/26/94/00/490269400.db2.gz USASOMCAOFDZBE-SJORKVTESA-N 1 3 350.507 0.920 20 0 FCADHO CCN1CCC(n2nccc2NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000521875333 490306383 /nfs/dbraw/zinc/30/63/83/490306383.db2.gz ZTQHVQOESDPLJN-CHWSQXEVSA-N 1 3 350.467 0.720 20 0 FCADHO C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(=O)NCC[NH+](C)C ZINC000521897327 490308805 /nfs/dbraw/zinc/30/88/05/490308805.db2.gz BGJMKTBTVMGNDH-WBVHZDCISA-N 1 3 361.490 0.476 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000422426802 490311028 /nfs/dbraw/zinc/31/10/28/490311028.db2.gz BVIUHFZYOFQRQD-SFHVURJKSA-N 1 3 360.502 0.960 20 0 FCADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000483433122 490316941 /nfs/dbraw/zinc/31/69/41/490316941.db2.gz XVOCNAQZPXQVKN-HOTGVXAUSA-N 1 3 368.522 0.545 20 0 FCADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCCC[C@H]1C ZINC000448488091 490356691 /nfs/dbraw/zinc/35/66/91/490356691.db2.gz OTQKWBWVVRCSKX-HUUCEWRRSA-N 1 3 364.494 0.762 20 0 FCADHO COC(=O)Cn1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000449107902 490401530 /nfs/dbraw/zinc/40/15/30/490401530.db2.gz OUXCLXNWMQHAFQ-UHFFFAOYSA-N 1 3 373.461 0.148 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000509358723 490418905 /nfs/dbraw/zinc/41/89/05/490418905.db2.gz PHTNINHORDFVSB-UHFFFAOYSA-N 1 3 353.511 0.668 20 0 FCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000422642573 490440072 /nfs/dbraw/zinc/44/00/72/490440072.db2.gz ZPPDKJIPFBEKMO-ZACQAIPSSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1CN ZINC000422642573 490440080 /nfs/dbraw/zinc/44/00/80/490440080.db2.gz ZPPDKJIPFBEKMO-ZACQAIPSSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1CN ZINC000422642573 490440090 /nfs/dbraw/zinc/44/00/90/490440090.db2.gz ZPPDKJIPFBEKMO-ZACQAIPSSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@H](C)N(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000422642572 490440238 /nfs/dbraw/zinc/44/02/38/490440238.db2.gz ZPPDKJIPFBEKMO-IXDOHACOSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1CN ZINC000422642572 490440248 /nfs/dbraw/zinc/44/02/48/490440248.db2.gz ZPPDKJIPFBEKMO-IXDOHACOSA-N 1 3 360.506 0.821 20 0 FCADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1CN ZINC000422642572 490440259 /nfs/dbraw/zinc/44/02/59/490440259.db2.gz ZPPDKJIPFBEKMO-IXDOHACOSA-N 1 3 360.506 0.821 20 0 FCADHO CCOC(=O)C1([C@H](C)NCCS(=O)(=O)N(CC)CC)CC[NH2+]CC1 ZINC000422862244 490488248 /nfs/dbraw/zinc/48/82/48/490488248.db2.gz PMOUZZLZMPJYFM-AWEZNQCLSA-N 1 3 363.524 0.569 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1=O ZINC000571804353 491330536 /nfs/dbraw/zinc/33/05/36/491330536.db2.gz OMXZTDSTRXFUMH-NVXWUHKLSA-N 1 3 350.507 0.633 20 0 FCADHO CC[N@H+](CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000523914466 490503451 /nfs/dbraw/zinc/50/34/51/490503451.db2.gz HDXWNDQGJZGMOF-MRXNPFEDSA-N 1 3 353.511 0.713 20 0 FCADHO CC[N@@H+](CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000523914466 490503458 /nfs/dbraw/zinc/50/34/58/490503458.db2.gz HDXWNDQGJZGMOF-MRXNPFEDSA-N 1 3 353.511 0.713 20 0 FCADHO CN(C)c1nccc(N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)CC2)n1 ZINC000485792987 490559446 /nfs/dbraw/zinc/55/94/46/490559446.db2.gz ZTDHDGGUUDRHHQ-ZDUSSCGKSA-N 1 3 370.461 0.305 20 0 FCADHO CCN1CCN(CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000485819465 490561200 /nfs/dbraw/zinc/56/12/00/490561200.db2.gz MMOWAZLHBNNLSF-INIZCTEOSA-N 1 3 363.510 0.350 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524794357 490561402 /nfs/dbraw/zinc/56/14/02/490561402.db2.gz PRPOCNTZVODEBR-OAQYLSRUSA-N 1 3 374.529 0.767 20 0 FCADHO CCN1CCN(CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000524794357 490561406 /nfs/dbraw/zinc/56/14/06/490561406.db2.gz PRPOCNTZVODEBR-OAQYLSRUSA-N 1 3 374.529 0.767 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000485830068 490562522 /nfs/dbraw/zinc/56/25/22/490562522.db2.gz MTJOQLDZGABUSO-HZPDHXFCSA-N 1 3 363.510 0.206 20 0 FCADHO CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000524913344 490569414 /nfs/dbraw/zinc/56/94/14/490569414.db2.gz LOGNNOJBJBCQMW-UHFFFAOYSA-N 1 3 362.474 0.302 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000571958134 491339776 /nfs/dbraw/zinc/33/97/76/491339776.db2.gz JARNTSJVCMFVDJ-RHSMWYFYSA-N 1 3 362.474 0.769 20 0 FCADHO C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000501610648 490622757 /nfs/dbraw/zinc/62/27/57/490622757.db2.gz FFOHCDOPIAMFLF-INIZCTEOSA-N 1 3 354.495 0.062 20 0 FCADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000525884237 490645816 /nfs/dbraw/zinc/64/58/16/490645816.db2.gz HHXLVOITSIGUGQ-UHFFFAOYSA-N 1 3 371.507 0.600 20 0 FCADHO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848917 490647564 /nfs/dbraw/zinc/64/75/64/490647564.db2.gz HQSOZRSZAOARAS-RBUKOAKNSA-N 1 3 357.539 0.748 20 0 FCADHO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000501848917 490647569 /nfs/dbraw/zinc/64/75/69/490647569.db2.gz HQSOZRSZAOARAS-RBUKOAKNSA-N 1 3 357.539 0.748 20 0 FCADHO C[NH+](C)Cc1ccccc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000486767840 490668706 /nfs/dbraw/zinc/66/87/06/490668706.db2.gz DUUXGNUVFHFQAZ-UHFFFAOYSA-N 1 3 362.518 0.868 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000526134372 490678122 /nfs/dbraw/zinc/67/81/22/490678122.db2.gz XLHWOTLCYBEIID-UHFFFAOYSA-N 1 3 351.451 0.508 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000526133801 490678731 /nfs/dbraw/zinc/67/87/31/490678731.db2.gz SLZABUDPOBMCPV-UHFFFAOYSA-N 1 3 357.480 0.291 20 0 FCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943022 490681541 /nfs/dbraw/zinc/68/15/41/490681541.db2.gz WVPMMRBHSREMSY-JQHSSLGASA-N 1 3 360.502 0.589 20 0 FCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000486943022 490681546 /nfs/dbraw/zinc/68/15/46/490681546.db2.gz WVPMMRBHSREMSY-JQHSSLGASA-N 1 3 360.502 0.589 20 0 FCADHO C[NH+]1CCC(CNC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512601891 490690215 /nfs/dbraw/zinc/69/02/15/490690215.db2.gz KWJNDMNDGKVYCA-UHFFFAOYSA-N 1 3 355.527 0.018 20 0 FCADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512806732 490699574 /nfs/dbraw/zinc/69/95/74/490699574.db2.gz AVXBKCGWPWZIBG-KRWDZBQOSA-N 1 3 355.527 0.112 20 0 FCADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512806732 490699578 /nfs/dbraw/zinc/69/95/78/490699578.db2.gz AVXBKCGWPWZIBG-KRWDZBQOSA-N 1 3 355.527 0.112 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000557026242 491350096 /nfs/dbraw/zinc/35/00/96/491350096.db2.gz YTZGFUDQHJZLFL-CQSZACIVSA-N 1 3 356.511 0.448 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC(OCCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000513463273 490731059 /nfs/dbraw/zinc/73/10/59/490731059.db2.gz KTZKBKIOUZDAHM-HNNXBMFYSA-N 1 3 370.538 0.648 20 0 FCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000503253741 490748053 /nfs/dbraw/zinc/74/80/53/490748053.db2.gz USIMJYULAQVZEI-OAHLLOKOSA-N 1 3 362.474 0.976 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000514684084 490782157 /nfs/dbraw/zinc/78/21/57/490782157.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 1 3 365.526 0.497 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000514684084 490782160 /nfs/dbraw/zinc/78/21/60/490782160.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 1 3 365.526 0.497 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000515220038 490814123 /nfs/dbraw/zinc/81/41/23/490814123.db2.gz NQMNUQYIGPMKNE-QGZVFWFLSA-N 1 3 368.522 0.596 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000540573661 490828690 /nfs/dbraw/zinc/82/86/90/490828690.db2.gz ZFONMPPYVTZEAW-MRXNPFEDSA-N 1 3 351.495 0.490 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000540573661 490828693 /nfs/dbraw/zinc/82/86/93/490828693.db2.gz ZFONMPPYVTZEAW-MRXNPFEDSA-N 1 3 351.495 0.490 20 0 FCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)[C@H](C)C1 ZINC000557193855 491358803 /nfs/dbraw/zinc/35/88/03/491358803.db2.gz SAIOFCULGLVUHV-IKGGRYGDSA-N 1 3 355.527 0.408 20 0 FCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)[C@H](C)C1 ZINC000557193855 491358804 /nfs/dbraw/zinc/35/88/04/491358804.db2.gz SAIOFCULGLVUHV-IKGGRYGDSA-N 1 3 355.527 0.408 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000515673284 490835164 /nfs/dbraw/zinc/83/51/64/490835164.db2.gz SWRNKXRCKRQUGH-OAGGEKHMSA-N 1 3 351.495 0.450 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000515673284 490835167 /nfs/dbraw/zinc/83/51/67/490835167.db2.gz SWRNKXRCKRQUGH-OAGGEKHMSA-N 1 3 351.495 0.450 20 0 FCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000515673286 490835978 /nfs/dbraw/zinc/83/59/78/490835978.db2.gz SWRNKXRCKRQUGH-PMPSAXMXSA-N 1 3 351.495 0.450 20 0 FCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000515673286 490835979 /nfs/dbraw/zinc/83/59/79/490835979.db2.gz SWRNKXRCKRQUGH-PMPSAXMXSA-N 1 3 351.495 0.450 20 0 FCADHO C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C1=CCN(C)CC1 ZINC000540965235 490842913 /nfs/dbraw/zinc/84/29/13/490842913.db2.gz QEDUESPIVWBSME-OAHLLOKOSA-N 1 3 365.522 0.879 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CC1 ZINC000541663937 490868534 /nfs/dbraw/zinc/86/85/34/490868534.db2.gz JDSDRRJAKOKPDJ-GOSISDBHSA-N 1 3 369.550 0.892 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000516857399 490881058 /nfs/dbraw/zinc/88/10/58/490881058.db2.gz GPCJNYSORMSXGF-HXUWFJFHSA-N 1 3 356.470 0.589 20 0 FCADHO O=C(NC1CNC1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000516857399 490881060 /nfs/dbraw/zinc/88/10/60/490881060.db2.gz GPCJNYSORMSXGF-HXUWFJFHSA-N 1 3 356.470 0.589 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCNC(=O)[C@@H]3C)CC2)CC1 ZINC000516876912 490882942 /nfs/dbraw/zinc/88/29/42/490882942.db2.gz LHLDODQFMMMORR-HNNXBMFYSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CCn1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000565202352 491359863 /nfs/dbraw/zinc/35/98/63/491359863.db2.gz AJQMFDVTQQHQNM-UHFFFAOYSA-N 1 3 364.494 0.167 20 0 FCADHO CCOCC[N@@H+]1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000517322159 490904348 /nfs/dbraw/zinc/90/43/48/490904348.db2.gz OTYJLKFPZMIYRJ-VJANTYMQSA-N 1 3 357.539 0.889 20 0 FCADHO CCOCC[N@H+]1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000517322159 490904349 /nfs/dbraw/zinc/90/43/49/490904349.db2.gz OTYJLKFPZMIYRJ-VJANTYMQSA-N 1 3 357.539 0.889 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000517703893 490917004 /nfs/dbraw/zinc/91/70/04/490917004.db2.gz VLIRTWVLKUAKMK-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703893 490917005 /nfs/dbraw/zinc/91/70/05/490917005.db2.gz VLIRTWVLKUAKMK-DLBZAZTESA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000517703897 490917294 /nfs/dbraw/zinc/91/72/94/490917294.db2.gz VLIRTWVLKUAKMK-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000517703897 490917297 /nfs/dbraw/zinc/91/72/97/490917297.db2.gz VLIRTWVLKUAKMK-IRXDYDNUSA-N 1 3 365.522 0.666 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966321 490926810 /nfs/dbraw/zinc/92/68/10/490926810.db2.gz VXZGMGHKEJAHLC-ZWKOTPCHSA-N 1 3 371.485 0.388 20 0 FCADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000517966321 490926813 /nfs/dbraw/zinc/92/68/13/490926813.db2.gz VXZGMGHKEJAHLC-ZWKOTPCHSA-N 1 3 371.485 0.388 20 0 FCADHO CC(C)[C@@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000518218828 490933631 /nfs/dbraw/zinc/93/36/31/490933631.db2.gz MXBKPAAWMIZOSD-GVDBMIGSSA-N 1 3 365.522 0.696 20 0 FCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000518290139 490935923 /nfs/dbraw/zinc/93/59/23/490935923.db2.gz BBLXNBBNGOQTCY-INIZCTEOSA-N 1 3 367.538 0.959 20 0 FCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000518290139 490935925 /nfs/dbraw/zinc/93/59/25/490935925.db2.gz BBLXNBBNGOQTCY-INIZCTEOSA-N 1 3 367.538 0.959 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000518290106 490936174 /nfs/dbraw/zinc/93/61/74/490936174.db2.gz AELBEOFBPNZADV-QGZVFWFLSA-N 1 3 365.522 0.809 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000544692040 490976943 /nfs/dbraw/zinc/97/69/43/490976943.db2.gz CXCQRNFICWQBOC-UHFFFAOYSA-N 1 3 361.490 0.607 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000553956627 491166616 /nfs/dbraw/zinc/16/66/16/491166616.db2.gz KLFQDZXNIRPZKB-HUUCEWRRSA-N 1 3 368.522 0.591 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000553956627 491166619 /nfs/dbraw/zinc/16/66/19/491166619.db2.gz KLFQDZXNIRPZKB-HUUCEWRRSA-N 1 3 368.522 0.591 20 0 FCADHO CN(c1ccccc1CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000562521211 491171203 /nfs/dbraw/zinc/17/12/03/491171203.db2.gz PDDDYUKWLZDSQC-CALCHBBNSA-N 1 3 356.470 0.921 20 0 FCADHO N[C@H]1C[C@@H]2CN(C(=O)NCCCCC[NH+]3CCCCC3)CCN2C1=O ZINC000565372199 491372587 /nfs/dbraw/zinc/37/25/87/491372587.db2.gz JADKKFSOYBGPCR-CVEARBPZSA-N 1 3 351.495 0.596 20 0 FCADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000565419901 491375519 /nfs/dbraw/zinc/37/55/19/491375519.db2.gz LPFGMRVZKCZGDE-JMSVASOKSA-N 1 3 366.428 0.471 20 0 FCADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000572620983 491382116 /nfs/dbraw/zinc/38/21/16/491382116.db2.gz WNMOUCHNJHAEGZ-YESZJQIVSA-N 1 3 362.518 0.968 20 0 FCADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000572620981 491382141 /nfs/dbraw/zinc/38/21/41/491382141.db2.gz WNMOUCHNJHAEGZ-GVDBMIGSSA-N 1 3 362.518 0.968 20 0 FCADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000565655676 491391572 /nfs/dbraw/zinc/39/15/72/491391572.db2.gz VYGORHQPBQUWTK-HOTGVXAUSA-N 1 3 363.506 0.710 20 0 FCADHO COCCN(C)C[C@H](O)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000565754112 491397910 /nfs/dbraw/zinc/39/79/10/491397910.db2.gz VKLJMMNGRHGRII-QRVBRYPASA-N 1 3 356.555 0.416 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000566396677 491440796 /nfs/dbraw/zinc/44/07/96/491440796.db2.gz FDYSPMWLZIVLNH-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000566396677 491440798 /nfs/dbraw/zinc/44/07/98/491440798.db2.gz FDYSPMWLZIVLNH-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000573578655 491442245 /nfs/dbraw/zinc/44/22/45/491442245.db2.gz FZYVDPHSMJMGIL-IAGOWNOFSA-N 1 3 359.474 0.462 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000573578655 491442248 /nfs/dbraw/zinc/44/22/48/491442248.db2.gz FZYVDPHSMJMGIL-IAGOWNOFSA-N 1 3 359.474 0.462 20 0 FCADHO C[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000573578657 491442305 /nfs/dbraw/zinc/44/23/05/491442305.db2.gz FZYVDPHSMJMGIL-SJORKVTESA-N 1 3 359.474 0.462 20 0 FCADHO C[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000573578657 491442308 /nfs/dbraw/zinc/44/23/08/491442308.db2.gz FZYVDPHSMJMGIL-SJORKVTESA-N 1 3 359.474 0.462 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000573637774 491445895 /nfs/dbraw/zinc/44/58/95/491445895.db2.gz BETWLZNIQSXNML-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000573637774 491445897 /nfs/dbraw/zinc/44/58/97/491445897.db2.gz BETWLZNIQSXNML-KRWDZBQOSA-N 1 3 368.522 0.546 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566728278 491462687 /nfs/dbraw/zinc/46/26/87/491462687.db2.gz VHPIWHHZRUBSCW-IAGOWNOFSA-N 1 3 359.474 0.634 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000559362653 491467407 /nfs/dbraw/zinc/46/74/07/491467407.db2.gz DMTUUHPMJMQMJS-UHFFFAOYSA-N 1 3 356.511 0.450 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000574099719 491474550 /nfs/dbraw/zinc/47/45/50/491474550.db2.gz HCQYCWGUZOCBSH-DLBZAZTESA-N 1 3 350.507 0.953 20 0 FCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn2ccnc12 ZINC000559795783 491500445 /nfs/dbraw/zinc/50/04/45/491500445.db2.gz GYHRZYJYPFZROV-UHFFFAOYSA-N 1 3 360.462 0.533 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559864285 491506218 /nfs/dbraw/zinc/50/62/18/491506218.db2.gz HVPGKAYGXVDEID-RVKKMQEKSA-N 1 3 368.547 0.625 20 0 FCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000559868906 491507001 /nfs/dbraw/zinc/50/70/01/491507001.db2.gz YDYDMRDURGHKFN-CKEIUWERSA-N 1 3 356.536 0.339 20 0 FCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000559868906 491507004 /nfs/dbraw/zinc/50/70/04/491507004.db2.gz YDYDMRDURGHKFN-CKEIUWERSA-N 1 3 356.536 0.339 20 0 FCADHO COC[C@@]1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000567496286 491510033 /nfs/dbraw/zinc/51/00/33/491510033.db2.gz VAXMFPCUGPYXJD-OXJNMPFZSA-N 1 3 374.485 0.949 20 0 FCADHO N[C@@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H]1c1cccc(F)c1 ZINC000574637210 491510079 /nfs/dbraw/zinc/51/00/79/491510079.db2.gz TXAQGYJLFDTZNG-OWCLPIDISA-N 1 3 358.421 0.736 20 0 FCADHO CO[C@]1(C)C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000574792633 491520670 /nfs/dbraw/zinc/52/06/70/491520670.db2.gz BNJYEMSRZSUCLO-KBXCAEBGSA-N 1 3 356.511 0.258 20 0 FCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574868563 491524717 /nfs/dbraw/zinc/52/47/17/491524717.db2.gz BSJDARANXJNLCJ-MRXNPFEDSA-N 1 3 350.507 0.921 20 0 FCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000567754803 491527435 /nfs/dbraw/zinc/52/74/35/491527435.db2.gz SHKWRLLVQKURMR-QZTJIDSGSA-N 1 3 360.502 0.861 20 0 FCADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567804692 491530705 /nfs/dbraw/zinc/53/07/05/491530705.db2.gz URZKLSIBRUZETG-CABCVRRESA-N 1 3 350.467 0.025 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583402 493348730 /nfs/dbraw/zinc/34/87/30/493348730.db2.gz LDVDVPTZSDSFGR-DLBZAZTESA-N 1 3 368.522 0.329 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000574987353 491531622 /nfs/dbraw/zinc/53/16/22/491531622.db2.gz UHDKEGKFBMTFAU-INIZCTEOSA-N 1 3 368.428 0.723 20 0 FCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000567841574 491534128 /nfs/dbraw/zinc/53/41/28/491534128.db2.gz IJSZTSWTFIAVRI-XHSDSOJGSA-N 1 3 351.495 0.319 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])c2)CC1 ZINC000575233884 491546748 /nfs/dbraw/zinc/54/67/48/491546748.db2.gz MHHJPQCIZJHVGV-GOSISDBHSA-N 1 3 360.506 0.935 20 0 FCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000575400009 491551781 /nfs/dbraw/zinc/55/17/81/491551781.db2.gz HKOIBAAYYZEUQQ-FGTMMUONSA-N 1 3 371.485 0.303 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820485 491563032 /nfs/dbraw/zinc/56/30/32/491563032.db2.gz BVGVZORJGOYAEZ-ZACQAIPSSA-N 1 3 366.506 0.347 20 0 FCADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCO1 ZINC000575820485 491563035 /nfs/dbraw/zinc/56/30/35/491563035.db2.gz BVGVZORJGOYAEZ-ZACQAIPSSA-N 1 3 366.506 0.347 20 0 FCADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000577117558 491592030 /nfs/dbraw/zinc/59/20/30/491592030.db2.gz XZOLFSICIKWXMP-LJQANCHMSA-N 1 3 359.518 0.850 20 0 FCADHO CC(C)Nc1nc(NCCO)nc(NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000561276836 491593499 /nfs/dbraw/zinc/59/34/99/491593499.db2.gz JRHSFIDXYHGNLW-CQSZACIVSA-N 1 3 351.499 0.038 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540965 491602217 /nfs/dbraw/zinc/60/22/17/491602217.db2.gz RHKSVBJRSKQGDG-CGTJXYLNSA-N 1 3 374.460 0.808 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540965 491602222 /nfs/dbraw/zinc/60/22/22/491602222.db2.gz RHKSVBJRSKQGDG-CGTJXYLNSA-N 1 3 374.460 0.808 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540966 491602545 /nfs/dbraw/zinc/60/25/45/491602545.db2.gz RHKSVBJRSKQGDG-KBAYOESNSA-N 1 3 374.460 0.808 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000584540966 491602548 /nfs/dbraw/zinc/60/25/48/491602548.db2.gz RHKSVBJRSKQGDG-KBAYOESNSA-N 1 3 374.460 0.808 20 0 FCADHO COCCN(C)C[C@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594368 491628112 /nfs/dbraw/zinc/62/81/12/491628112.db2.gz UONFWZCZYGYZAL-IBGZPJMESA-N 1 3 356.555 0.416 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000569409082 491659692 /nfs/dbraw/zinc/65/96/92/491659692.db2.gz MVOFAKBJDZVQQL-BMFZPTHFSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000569409082 491659695 /nfs/dbraw/zinc/65/96/95/491659695.db2.gz MVOFAKBJDZVQQL-BMFZPTHFSA-N 1 3 350.507 0.822 20 0 FCADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000578339475 491675245 /nfs/dbraw/zinc/67/52/45/491675245.db2.gz HGAJZGFRRKVHST-SJORKVTESA-N 1 3 365.522 0.698 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000578996742 491688592 /nfs/dbraw/zinc/68/85/92/491688592.db2.gz RWRNLBJAJUMISS-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000578996742 491688593 /nfs/dbraw/zinc/68/85/93/491688593.db2.gz RWRNLBJAJUMISS-SJORKVTESA-N 1 3 368.522 0.594 20 0 FCADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000579259593 491694229 /nfs/dbraw/zinc/69/42/29/491694229.db2.gz XLLYKTJBVPQCHA-WMZOPIPTSA-N 1 3 374.485 0.791 20 0 FCADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)Cc2ccccc2C1 ZINC000579377864 491696880 /nfs/dbraw/zinc/69/68/80/491696880.db2.gz BQPZPRJFGMGPKD-IRXDYDNUSA-N 1 3 371.485 0.039 20 0 FCADHO NC[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000579590130 491701100 /nfs/dbraw/zinc/70/11/00/491701100.db2.gz KLWIMVAAWVSJPM-RCCFBDPRSA-N 1 3 371.485 0.476 20 0 FCADHO CN(C)CCOCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000579879646 491707596 /nfs/dbraw/zinc/70/75/96/491707596.db2.gz OVHWPRLEMCXCGA-UHFFFAOYSA-N 1 3 354.495 0.158 20 0 FCADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CCO1 ZINC000580301673 491724780 /nfs/dbraw/zinc/72/47/80/491724780.db2.gz HBLRNPNANDPXDN-HZPDHXFCSA-N 1 3 366.506 0.012 20 0 FCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000589220993 491757877 /nfs/dbraw/zinc/75/78/77/491757877.db2.gz WSCWMSWTLKJVMP-HZPDHXFCSA-N 1 3 355.527 0.959 20 0 FCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000589220993 491757878 /nfs/dbraw/zinc/75/78/78/491757878.db2.gz WSCWMSWTLKJVMP-HZPDHXFCSA-N 1 3 355.527 0.959 20 0 FCADHO CC[N@H+](C)C[C@H](O)CN1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000581080605 491758885 /nfs/dbraw/zinc/75/88/85/491758885.db2.gz WDOWSUFWCFEYAD-KURKYZTESA-N 1 3 357.539 0.889 20 0 FCADHO CC[N@@H+](C)C[C@H](O)CN1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000581080605 491758887 /nfs/dbraw/zinc/75/88/87/491758887.db2.gz WDOWSUFWCFEYAD-KURKYZTESA-N 1 3 357.539 0.889 20 0 FCADHO CCN(C)C[C@H](O)C[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000581080605 491758889 /nfs/dbraw/zinc/75/88/89/491758889.db2.gz WDOWSUFWCFEYAD-KURKYZTESA-N 1 3 357.539 0.889 20 0 FCADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCCO1 ZINC000581125319 491760425 /nfs/dbraw/zinc/76/04/25/491760425.db2.gz LQMTUNNVHXUHTQ-MRXNPFEDSA-N 1 3 352.479 0.040 20 0 FCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135332 491760795 /nfs/dbraw/zinc/76/07/95/491760795.db2.gz FBVJNVLYGAOXPZ-CVEARBPZSA-N 1 3 363.510 0.500 20 0 FCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC000581135332 491760797 /nfs/dbraw/zinc/76/07/97/491760797.db2.gz FBVJNVLYGAOXPZ-CVEARBPZSA-N 1 3 363.510 0.500 20 0 FCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581777608 491785945 /nfs/dbraw/zinc/78/59/45/491785945.db2.gz BTZGBINDOIHUBF-HOTGVXAUSA-N 1 3 367.538 0.105 20 0 FCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000581777608 491785947 /nfs/dbraw/zinc/78/59/47/491785947.db2.gz BTZGBINDOIHUBF-HOTGVXAUSA-N 1 3 367.538 0.105 20 0 FCADHO C[C@H](CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000581839543 491786949 /nfs/dbraw/zinc/78/69/49/491786949.db2.gz LSOGUPFFAUHFSY-SJORKVTESA-N 1 3 368.522 0.452 20 0 FCADHO NC(=O)COc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582122841 491798754 /nfs/dbraw/zinc/79/87/54/491798754.db2.gz GOBRPKBXEBUKSA-SJORKVTESA-N 1 3 374.485 0.488 20 0 FCADHO CC[NH+](CC)CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612600470 491937862 /nfs/dbraw/zinc/93/78/62/491937862.db2.gz IMBDFKBIYBYMEE-MRXNPFEDSA-N 1 3 354.495 0.204 20 0 FCADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612913755 491958110 /nfs/dbraw/zinc/95/81/10/491958110.db2.gz DJVROHGEHVABEQ-CABCVRRESA-N 1 3 361.494 0.460 20 0 FCADHO [NH3+][C@H](CNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000612914484 491958365 /nfs/dbraw/zinc/95/83/65/491958365.db2.gz FDKROKQFGWSDBV-HUUCEWRRSA-N 1 3 361.494 0.446 20 0 FCADHO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612913757 491958552 /nfs/dbraw/zinc/95/85/52/491958552.db2.gz DJVROHGEHVABEQ-HUUCEWRRSA-N 1 3 361.494 0.460 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604205974 492054092 /nfs/dbraw/zinc/05/40/92/492054092.db2.gz ZGCIPZMLJVFEFZ-HNNXBMFYSA-N 1 3 351.495 0.419 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604205974 492054097 /nfs/dbraw/zinc/05/40/97/492054097.db2.gz ZGCIPZMLJVFEFZ-HNNXBMFYSA-N 1 3 351.495 0.419 20 0 FCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000606093109 492114798 /nfs/dbraw/zinc/11/47/98/492114798.db2.gz OWJRNNXPFLKDGD-UHFFFAOYSA-N 1 3 363.462 0.583 20 0 FCADHO C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000606665586 492126281 /nfs/dbraw/zinc/12/62/81/492126281.db2.gz HOKCZPMVXGAOSK-RDJZCZTQSA-N 1 3 367.538 0.959 20 0 FCADHO CCNC(=O)COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1OC ZINC000647492297 492297528 /nfs/dbraw/zinc/29/75/28/492297528.db2.gz AOPVLFDHQZPFIF-UHFFFAOYSA-N 1 3 364.490 0.547 20 0 FCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000647597154 492332144 /nfs/dbraw/zinc/33/21/44/492332144.db2.gz QFGXXTYQSKQCJJ-HZPDHXFCSA-N 1 3 367.538 0.105 20 0 FCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000642119461 492336823 /nfs/dbraw/zinc/33/68/23/492336823.db2.gz RPCWAYJGDJTONB-OAGGEKHMSA-N 1 3 368.522 0.578 20 0 FCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330390 492351887 /nfs/dbraw/zinc/35/18/87/492351887.db2.gz DAIVEZAVQHSNJQ-ZVDSWSACSA-N 1 3 354.495 0.044 20 0 FCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000642330389 492352086 /nfs/dbraw/zinc/35/20/86/492352086.db2.gz DAIVEZAVQHSNJQ-XFIYOXNOSA-N 1 3 354.495 0.044 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640625 492368144 /nfs/dbraw/zinc/36/81/44/492368144.db2.gz BXCBWDLAJOSQJP-NRSFXHEJSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000642640625 492368145 /nfs/dbraw/zinc/36/81/45/492368145.db2.gz BXCBWDLAJOSQJP-NRSFXHEJSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640626 492368370 /nfs/dbraw/zinc/36/83/70/492368370.db2.gz BXCBWDLAJOSQJP-VDHUWJSZSA-N 1 3 358.486 0.867 20 0 FCADHO C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640626 492368372 /nfs/dbraw/zinc/36/83/72/492368372.db2.gz BXCBWDLAJOSQJP-VDHUWJSZSA-N 1 3 358.486 0.867 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000642640737 492369173 /nfs/dbraw/zinc/36/91/73/492369173.db2.gz PTFSXPVUZWAJAL-RCCFBDPRSA-N 1 3 358.486 0.820 20 0 FCADHO CN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000642640737 492369175 /nfs/dbraw/zinc/36/91/75/492369175.db2.gz PTFSXPVUZWAJAL-RCCFBDPRSA-N 1 3 358.486 0.820 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000642685592 492372429 /nfs/dbraw/zinc/37/24/29/492372429.db2.gz OSLYKVFQIUBBAF-AEFFLSMTSA-N 1 3 374.485 0.454 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000642685593 492372889 /nfs/dbraw/zinc/37/28/89/492372889.db2.gz OSLYKVFQIUBBAF-FUHWJXTLSA-N 1 3 374.485 0.454 20 0 FCADHO O=C(NC[C@@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1)[C@@H]1CCC[NH2+]1 ZINC000647905665 492380751 /nfs/dbraw/zinc/38/07/51/492380751.db2.gz LLPAOFIXBGDPKV-FJIDUMEYSA-N 1 3 350.507 0.430 20 0 FCADHO CC(C)(O)CN1CCC([NH2+]CCNS(=O)(=O)c2ccccc2)CC1 ZINC000647909263 492381822 /nfs/dbraw/zinc/38/18/22/492381822.db2.gz ZXAXBPGGVWFXIQ-UHFFFAOYSA-N 1 3 355.504 0.790 20 0 FCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975579 492389528 /nfs/dbraw/zinc/38/95/28/492389528.db2.gz CEBPFFZVDNMOCR-NCOADZHNSA-N 1 3 350.507 0.810 20 0 FCADHO COC1CCN(C2(CNC(=O)C(=O)NCC[NH2+]C3CC3)CCCC2)CC1 ZINC000642806193 492395880 /nfs/dbraw/zinc/39/58/80/492395880.db2.gz FLQXJXRFJIWNGL-UHFFFAOYSA-N 1 3 366.506 0.394 20 0 FCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642917922 492403211 /nfs/dbraw/zinc/40/32/11/492403211.db2.gz HTZXMAXKYADERH-UHFFFAOYSA-N 1 3 368.428 0.723 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000642958472 492406464 /nfs/dbraw/zinc/40/64/64/492406464.db2.gz AJJZJGUHOZZFOA-GOEBONIOSA-N 1 3 366.506 0.693 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000642958472 492406466 /nfs/dbraw/zinc/40/64/66/492406466.db2.gz AJJZJGUHOZZFOA-GOEBONIOSA-N 1 3 366.506 0.693 20 0 FCADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621841385 492422878 /nfs/dbraw/zinc/42/28/78/492422878.db2.gz UYZISIRUPUGUCQ-OXQOHEQNSA-N 1 3 374.485 0.583 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845684 492426167 /nfs/dbraw/zinc/42/61/67/492426167.db2.gz NQNICEDFZIZREH-LIRRHRJNSA-N 1 3 366.506 0.332 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000627983717 492433865 /nfs/dbraw/zinc/43/38/65/492433865.db2.gz DYDYXGCYBADZTL-ZWKOTPCHSA-N 1 3 358.486 0.564 20 0 FCADHO CN(C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1=O ZINC000627983717 492433867 /nfs/dbraw/zinc/43/38/67/492433867.db2.gz DYDYXGCYBADZTL-ZWKOTPCHSA-N 1 3 358.486 0.564 20 0 FCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655447842 492444341 /nfs/dbraw/zinc/44/43/41/492444341.db2.gz HBMZGKGGQPTARZ-YLJYHZDGSA-N 1 3 358.486 0.984 20 0 FCADHO O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCC[C@@H]1CN1CCCC1 ZINC000643498782 492482657 /nfs/dbraw/zinc/48/26/57/492482657.db2.gz VKCCUYJCUNIZIG-RCCFBDPRSA-N 1 3 362.518 0.921 20 0 FCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000643500567 492483675 /nfs/dbraw/zinc/48/36/75/492483675.db2.gz CDVDLVBYGGHLJP-JYJNAYRXSA-N 1 3 350.507 0.905 20 0 FCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643513588 492486621 /nfs/dbraw/zinc/48/66/21/492486621.db2.gz QYJMDCQGHGEYGW-IAGOWNOFSA-N 1 3 367.538 0.057 20 0 FCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000643531751 492491284 /nfs/dbraw/zinc/49/12/84/492491284.db2.gz FSFIBHXYSZALNS-ROUUACIJSA-N 1 3 374.485 0.296 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000643531882 492491977 /nfs/dbraw/zinc/49/19/77/492491977.db2.gz RFVJRLFMBOEXJA-YLJYHZDGSA-N 1 3 358.486 0.917 20 0 FCADHO O=C(C(=O)N1CCCNCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643581001 492500084 /nfs/dbraw/zinc/50/00/84/492500084.db2.gz PWQZYJYXUHLWGA-UHFFFAOYSA-N 1 3 350.507 0.923 20 0 FCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643594552 492503790 /nfs/dbraw/zinc/50/37/90/492503790.db2.gz PLMWLNKAWYCPLC-HZPDHXFCSA-N 1 3 350.507 0.776 20 0 FCADHO [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028576 492521347 /nfs/dbraw/zinc/52/13/47/492521347.db2.gz MPFQHMLVHYXOFO-DLBZAZTESA-N 1 3 366.506 0.476 20 0 FCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028691 492521597 /nfs/dbraw/zinc/52/15/97/492521597.db2.gz OTGUKGLILHLKQA-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC000649344184 492539564 /nfs/dbraw/zinc/53/95/64/492539564.db2.gz CCPZNVDUPZHKHX-HOTGVXAUSA-N 1 3 354.495 0.286 20 0 FCADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649566587 492562899 /nfs/dbraw/zinc/56/28/99/492562899.db2.gz QBDSWGPARDLVFF-KRWDZBQOSA-N 1 3 350.507 0.969 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623592829 492571193 /nfs/dbraw/zinc/57/11/93/492571193.db2.gz DBYMKVYYZLQZPV-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623592829 492571197 /nfs/dbraw/zinc/57/11/97/492571197.db2.gz DBYMKVYYZLQZPV-INIZCTEOSA-N 1 3 367.538 0.960 20 0 FCADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656360637 492613220 /nfs/dbraw/zinc/61/32/20/492613220.db2.gz UTTUSZMXQYQZIY-HOTGVXAUSA-N 1 3 354.495 0.156 20 0 FCADHO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699406 492643503 /nfs/dbraw/zinc/64/35/03/492643503.db2.gz LIYVWRUKVDUTII-PXNSSMCTSA-N 1 3 374.485 0.884 20 0 FCADHO CC(C)[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000656699406 492643504 /nfs/dbraw/zinc/64/35/04/492643504.db2.gz LIYVWRUKVDUTII-PXNSSMCTSA-N 1 3 374.485 0.884 20 0 FCADHO O[C@H](C[NH2+]CCCCN1CCN(c2ncccn2)CC1)CN1CCCC1 ZINC000629558502 492644497 /nfs/dbraw/zinc/64/44/97/492644497.db2.gz BASPJUWHPVHLDH-GOSISDBHSA-N 1 3 362.522 0.425 20 0 FCADHO Cc1ccc(CN2CCCN(C(=O)CN(C)CCOCC[NH3+])CC2)cc1 ZINC000629578180 492654611 /nfs/dbraw/zinc/65/46/11/492654611.db2.gz NTNZPJBKHQBUKD-UHFFFAOYSA-N 1 3 362.518 0.936 20 0 FCADHO CN(CCN1CCCCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000650892213 492682530 /nfs/dbraw/zinc/68/25/30/492682530.db2.gz HYMKGBFYYYWCDU-INIZCTEOSA-N 1 3 353.511 0.701 20 0 FCADHO CN(CCN1CCCCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000650892213 492682533 /nfs/dbraw/zinc/68/25/33/492682533.db2.gz HYMKGBFYYYWCDU-INIZCTEOSA-N 1 3 353.511 0.701 20 0 FCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629809276 492682804 /nfs/dbraw/zinc/68/28/04/492682804.db2.gz PBQAURXEOAWDKP-AGIUHOORSA-N 1 3 364.412 0.525 20 0 FCADHO CN(CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709035 /nfs/dbraw/zinc/70/90/35/492709035.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709037 /nfs/dbraw/zinc/70/90/37/492709037.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CC(=O)NC[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709039 /nfs/dbraw/zinc/70/90/39/492709039.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 1 3 350.507 0.966 20 0 FCADHO CN(CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1)C1CCC1 ZINC000629954216 492709041 /nfs/dbraw/zinc/70/90/41/492709041.db2.gz BKZKTCZODVMMLU-KRWDZBQOSA-N 1 3 350.507 0.966 20 0 FCADHO CN1CCN(c2ncc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cn2)CC1 ZINC000657751354 492791094 /nfs/dbraw/zinc/79/10/94/492791094.db2.gz QXLVOKHMFWMBMP-SFHVURJKSA-N 1 3 360.506 0.571 20 0 FCADHO CN1CCN(c2ncc(CNC3CC[NH+]([C@H]4CCOC4)CC3)cn2)CC1 ZINC000657751354 492791099 /nfs/dbraw/zinc/79/10/99/492791099.db2.gz QXLVOKHMFWMBMP-SFHVURJKSA-N 1 3 360.506 0.571 20 0 FCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000657870129 492806690 /nfs/dbraw/zinc/80/66/90/492806690.db2.gz BFHRAUIHJYQDKI-INIZCTEOSA-N 1 3 359.474 0.719 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000658120688 492840807 /nfs/dbraw/zinc/84/08/07/492840807.db2.gz XKILLYMSVXIDKT-CQSZACIVSA-N 1 3 364.494 0.620 20 0 FCADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000658120688 492840811 /nfs/dbraw/zinc/84/08/11/492840811.db2.gz XKILLYMSVXIDKT-CQSZACIVSA-N 1 3 364.494 0.620 20 0 FCADHO NCc1cn([C@H]2CCCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC000631944120 492894226 /nfs/dbraw/zinc/89/42/26/492894226.db2.gz OWYXVXIWFWSFNE-HNNXBMFYSA-N 1 3 356.496 0.189 20 0 FCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000638089682 492904029 /nfs/dbraw/zinc/90/40/29/492904029.db2.gz CRPQGBSEAKIYJL-FZKQIMNGSA-N 1 3 362.430 0.862 20 0 FCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000638108113 492908268 /nfs/dbraw/zinc/90/82/68/492908268.db2.gz LAHGQKPNDJNNBX-VQIMIIECSA-N 1 3 362.474 0.361 20 0 FCADHO COCCCS(=O)(=O)NCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348600 492913364 /nfs/dbraw/zinc/91/33/64/492913364.db2.gz JUXLDSGVPCFAOW-XHSDSOJGSA-N 1 3 363.524 0.161 20 0 FCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000638137084 492915398 /nfs/dbraw/zinc/91/53/98/492915398.db2.gz RDXRGXVUJHHVKI-AZUAARDMSA-N 1 3 360.502 0.817 20 0 FCADHO CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652360472 492916389 /nfs/dbraw/zinc/91/63/89/492916389.db2.gz IXKGODCUJAVFMO-GVDBMIGSSA-N 1 3 352.479 0.038 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000652479661 492947796 /nfs/dbraw/zinc/94/77/96/492947796.db2.gz SRMNCTWPLHIFKC-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000652479661 492947799 /nfs/dbraw/zinc/94/77/99/492947799.db2.gz SRMNCTWPLHIFKC-SJORKVTESA-N 1 3 350.507 0.873 20 0 FCADHO CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632232186 492954783 /nfs/dbraw/zinc/95/47/83/492954783.db2.gz RGUDWQMRBXDBAQ-UHFFFAOYSA-N 1 3 360.568 0.760 20 0 FCADHO CCN1CCN(CCC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000638558722 492960363 /nfs/dbraw/zinc/96/03/63/492960363.db2.gz OJMXHSOXZIHZCI-KBPBESRZSA-N 1 3 350.429 1.000 20 0 FCADHO CCN1CCN(CCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000638558728 492961287 /nfs/dbraw/zinc/96/12/87/492961287.db2.gz OJMXHSOXZIHZCI-UONOGXRCSA-N 1 3 350.429 1.000 20 0 FCADHO CN(C)CCn1cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000652612102 492970867 /nfs/dbraw/zinc/97/08/67/492970867.db2.gz IJDRXLKBKDGNIY-CVEARBPZSA-N 1 3 350.467 0.805 20 0 FCADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000652623226 492972230 /nfs/dbraw/zinc/97/22/30/492972230.db2.gz CYANHDZKBUJFOU-HDJSIYSDSA-N 1 3 350.467 0.265 20 0 FCADHO O=C(CC1(N2CCOCC2)CCCC1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000638752711 492975511 /nfs/dbraw/zinc/97/55/11/492975511.db2.gz NZCPJRSIBKBXEU-INIZCTEOSA-N 1 3 362.478 0.464 20 0 FCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652673252 492985097 /nfs/dbraw/zinc/98/50/97/492985097.db2.gz ITFIYNVKAPEIHK-BZUAXINKSA-N 1 3 352.523 0.975 20 0 FCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000652689398 492991387 /nfs/dbraw/zinc/99/13/87/492991387.db2.gz UVXUNOHBOPHAHG-UHFFFAOYSA-N 1 3 373.501 0.920 20 0 FCADHO Cc1ccc(CN2CC[C@H](NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000639005886 492991715 /nfs/dbraw/zinc/99/17/15/492991715.db2.gz QMPDDWSOAYWHSU-ZWKOTPCHSA-N 1 3 358.486 0.944 20 0 FCADHO Cc1ccc(CN2CC[C@H](NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000639005885 492991942 /nfs/dbraw/zinc/99/19/42/492991942.db2.gz QMPDDWSOAYWHSU-ROUUACIJSA-N 1 3 358.486 0.944 20 0 FCADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000639261043 493002953 /nfs/dbraw/zinc/00/29/53/493002953.db2.gz KFOHHNUXNZYITL-IRXDYDNUSA-N 1 3 352.523 0.820 20 0 FCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652731002 493009285 /nfs/dbraw/zinc/00/92/85/493009285.db2.gz YWIMYFPCWXJXCT-UXLLHSPISA-N 1 3 366.506 0.284 20 0 FCADHO O=C(C[C@@H]1CNCCO1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000646069015 493009819 /nfs/dbraw/zinc/00/98/19/493009819.db2.gz IKRUAIFIMAJRHE-QGZVFWFLSA-N 1 3 366.506 0.206 20 0 FCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000646105718 493013610 /nfs/dbraw/zinc/01/36/10/493013610.db2.gz FCSSWIXLYXLXBM-MSOLQXFVSA-N 1 3 358.486 0.978 20 0 FCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000646214256 493028336 /nfs/dbraw/zinc/02/83/36/493028336.db2.gz PVUSLPAGGKLEKX-ZOBUZTSGSA-N 1 3 363.506 0.701 20 0 FCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646428268 493048511 /nfs/dbraw/zinc/04/85/11/493048511.db2.gz MBXKBDDYRGOQLW-LSDHHAIUSA-N 1 3 350.467 0.213 20 0 FCADHO CC[NH+]1CCC(NC(=O)CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000639771409 493048577 /nfs/dbraw/zinc/04/85/77/493048577.db2.gz VYVXSEICNUXHMT-SJLPKXTDSA-N 1 3 353.507 0.887 20 0 FCADHO Cc1cccc(N2CCN(CCCNC(=O)[C@H](N)CC[NH+](C)C)CC2)c1 ZINC000653124618 493075214 /nfs/dbraw/zinc/07/52/14/493075214.db2.gz CFLADYQLTDXNJB-LJQANCHMSA-N 1 3 361.534 0.902 20 0 FCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653272005 493087975 /nfs/dbraw/zinc/08/79/75/493087975.db2.gz UXRTYPGZTNIKGU-SJORKVTESA-N 1 3 350.507 0.825 20 0 FCADHO CN1CCC(n2cc(NC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000633004859 493101910 /nfs/dbraw/zinc/10/19/10/493101910.db2.gz ISQYUEFQENPQDW-CZUORRHYSA-N 1 3 360.462 0.299 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(S(C)(=O)=O)cn1 ZINC000640530503 493112900 /nfs/dbraw/zinc/11/29/00/493112900.db2.gz YTLLLBQOBKDCPN-UHFFFAOYSA-N 1 3 357.480 0.442 20 0 FCADHO CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CCN(Cc2ccccc2)CC1 ZINC000633088202 493119073 /nfs/dbraw/zinc/11/90/73/493119073.db2.gz DXJXCNCLHQUGLV-WMZOPIPTSA-N 1 3 356.470 0.682 20 0 FCADHO CCN1CCC(NC(=O)Cn2cc(COc3ccc(C[NH3+])cc3)nn2)CC1 ZINC000640866918 493140255 /nfs/dbraw/zinc/14/02/55/493140255.db2.gz MUNMPPBOCVIMQO-UHFFFAOYSA-N 1 3 372.473 0.916 20 0 FCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000627329360 493156279 /nfs/dbraw/zinc/15/62/79/493156279.db2.gz IFTIABBQTICHRY-QGZVFWFLSA-N 1 3 362.474 0.201 20 0 FCADHO CCC[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)N(C)C ZINC000647091728 493161476 /nfs/dbraw/zinc/16/14/76/493161476.db2.gz FEEYVZQSTBJTDV-HRCADAONSA-N 1 3 351.495 0.463 20 0 FCADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cc(COCC[NH3+])nn1 ZINC000641006181 493161584 /nfs/dbraw/zinc/16/15/84/493161584.db2.gz XQWPWHPCEOSUSA-NVXWUHKLSA-N 1 3 372.473 0.705 20 0 FCADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659443278 493179709 /nfs/dbraw/zinc/17/97/09/493179709.db2.gz YYVZTGKVYCPVMW-JHJVBQTASA-N 1 3 350.467 0.807 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)N(C)C1CC1 ZINC000627372325 493184496 /nfs/dbraw/zinc/18/44/96/493184496.db2.gz JYVBAYWFKRJVEZ-WZRBSPASSA-N 1 3 364.412 0.571 20 0 FCADHO CC[C@@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)CC[C@@H]1[NH3+] ZINC000647270481 493188726 /nfs/dbraw/zinc/18/87/26/493188726.db2.gz ZXDVMVZKYLWYQW-CABCVRRESA-N 1 3 357.524 0.809 20 0 FCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647303172 493192716 /nfs/dbraw/zinc/19/27/16/493192716.db2.gz LGKUKHWCWWSDLM-CQSZACIVSA-N 1 3 355.508 0.482 20 0 FCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590871 493217511 /nfs/dbraw/zinc/21/75/11/493217511.db2.gz QNYUFWWHWTXGAE-NUJGCVRESA-N 1 3 350.438 0.637 20 0 FCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000666796309 493228187 /nfs/dbraw/zinc/22/81/87/493228187.db2.gz NOEIXHBEPHZOKI-SFHVURJKSA-N 1 3 373.501 0.583 20 0 FCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000666924835 493237383 /nfs/dbraw/zinc/23/73/83/493237383.db2.gz MBERRTQUPJMIGP-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000666924835 493237389 /nfs/dbraw/zinc/23/73/89/493237389.db2.gz MBERRTQUPJMIGP-HZPDHXFCSA-N 1 3 351.495 0.419 20 0 FCADHO C[C@@H]1CCN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000659678218 493247427 /nfs/dbraw/zinc/24/74/27/493247427.db2.gz VQDIBHGKIDGMBY-OAGGEKHMSA-N 1 3 354.495 0.189 20 0 FCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000659687769 493253725 /nfs/dbraw/zinc/25/37/25/493253725.db2.gz MLGPEKRDCDNNQL-WBVHZDCISA-N 1 3 362.474 0.118 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000659699066 493260354 /nfs/dbraw/zinc/26/03/54/493260354.db2.gz KGPJCEUGDXHCBK-INIZCTEOSA-N 1 3 350.507 0.825 20 0 FCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659710906 493266860 /nfs/dbraw/zinc/26/68/60/493266860.db2.gz UTPURBBEKGHAKS-KRWDZBQOSA-N 1 3 359.474 0.278 20 0 FCADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000659718264 493270652 /nfs/dbraw/zinc/27/06/52/493270652.db2.gz NLBROTMNGLROQZ-DLBZAZTESA-N 1 3 366.506 0.380 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659719537 493271257 /nfs/dbraw/zinc/27/12/57/493271257.db2.gz YSVHTLXLYQMFGP-OFQRWUPVSA-N 1 3 366.506 0.739 20 0 FCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659719537 493271259 /nfs/dbraw/zinc/27/12/59/493271259.db2.gz YSVHTLXLYQMFGP-OFQRWUPVSA-N 1 3 366.506 0.739 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1F ZINC000667297953 493274689 /nfs/dbraw/zinc/27/46/89/493274689.db2.gz UHQVTIXBWFLJIN-UHFFFAOYSA-N 1 3 352.410 0.573 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000659738842 493279934 /nfs/dbraw/zinc/27/99/34/493279934.db2.gz IYHGEMYFOPXJLM-IKGGRYGDSA-N 1 3 366.506 0.332 20 0 FCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000659739084 493280440 /nfs/dbraw/zinc/28/04/40/493280440.db2.gz MYCPZGCOMSHRIF-IXDOHACOSA-N 1 3 350.507 0.968 20 0 FCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000667536577 493289329 /nfs/dbraw/zinc/28/93/29/493289329.db2.gz CZIHBKDIWCMPLU-PBHICJAKSA-N 1 3 360.458 0.776 20 0 FCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000669285563 493489299 /nfs/dbraw/zinc/48/92/99/493489299.db2.gz BRULUOXSCNFGFJ-QGZVFWFLSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@@H]1[C@H](C)[N@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000662223800 493498547 /nfs/dbraw/zinc/49/85/47/493498547.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1[C@H](C)[N@@H+](CCCN2CCOCC2)CCN1CCCN1CCOCC1 ZINC000662223800 493498549 /nfs/dbraw/zinc/49/85/49/493498549.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1[C@H](C)N(CCCN2CCOCC2)CC[N@H+]1CCCN1CCOCC1 ZINC000662223800 493498551 /nfs/dbraw/zinc/49/85/51/493498551.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO C[C@@H]1[C@H](C)N(CCCN2CCOCC2)CC[N@@H+]1CCCN1CCOCC1 ZINC000662223800 493498553 /nfs/dbraw/zinc/49/85/53/493498553.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 1 3 368.566 0.826 20 0 FCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000669452557 493504361 /nfs/dbraw/zinc/50/43/61/493504361.db2.gz SHYDDODJHSZYEL-FUHWJXTLSA-N 1 3 373.501 0.871 20 0 FCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662295934 493504465 /nfs/dbraw/zinc/50/44/65/493504465.db2.gz JDTWGECYOIRWKI-CRAIPNDOSA-N 1 3 350.507 0.777 20 0 FCADHO Cc1c(C(=O)Nc2ccc(N3CCNCC3)cn2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662408604 493513807 /nfs/dbraw/zinc/51/38/07/493513807.db2.gz YJOIECHHUBDZNE-CQSZACIVSA-N 1 3 356.434 0.178 20 0 FCADHO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC[NH+](C)CC1 ZINC000675994315 493516617 /nfs/dbraw/zinc/51/66/17/493516617.db2.gz ABNRCCWGNBFPEB-WBVHZDCISA-N 1 3 365.522 0.665 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000675995121 493516762 /nfs/dbraw/zinc/51/67/62/493516762.db2.gz NNUPQKFPAQIOLV-DLBZAZTESA-N 1 3 363.506 0.419 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000675995121 493516765 /nfs/dbraw/zinc/51/67/65/493516765.db2.gz NNUPQKFPAQIOLV-DLBZAZTESA-N 1 3 363.506 0.419 20 0 FCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCNC2 ZINC000662559950 493526094 /nfs/dbraw/zinc/52/60/94/493526094.db2.gz CGYCUKHNRKIINV-ZDUSSCGKSA-N 1 3 350.488 0.854 20 0 FCADHO COC1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000676166730 493528481 /nfs/dbraw/zinc/52/84/81/493528481.db2.gz DKLNSNRPTWCNPB-ZWKOTPCHSA-N 1 3 368.522 0.774 20 0 FCADHO Cc1c(C(=O)Nc2cnccc2N2CCN(C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662758411 493539773 /nfs/dbraw/zinc/53/97/73/493539773.db2.gz RPMWLRCXIGHYAW-CQSZACIVSA-N 1 3 370.461 0.520 20 0 FCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662924787 493554408 /nfs/dbraw/zinc/55/44/08/493554408.db2.gz HULUIYQZYCJWON-UHFFFAOYSA-N 1 3 352.454 0.912 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000670545576 493579209 /nfs/dbraw/zinc/57/92/09/493579209.db2.gz XAWWXHYBBPLLBV-MRXNPFEDSA-N 1 3 368.522 0.593 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000670997788 493621901 /nfs/dbraw/zinc/62/19/01/493621901.db2.gz LEXOAJBBZOATBI-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000670997788 493621903 /nfs/dbraw/zinc/62/19/03/493621903.db2.gz LEXOAJBBZOATBI-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000671071375 493629110 /nfs/dbraw/zinc/62/91/10/493629110.db2.gz FZEOUUHECARNPU-SUMWQHHRSA-N 1 3 356.536 0.386 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCSC1 ZINC000671071100 493629135 /nfs/dbraw/zinc/62/91/35/493629135.db2.gz GRDBMJMOWJCACZ-SFHVURJKSA-N 1 3 370.563 0.778 20 0 FCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000672014204 493724935 /nfs/dbraw/zinc/72/49/35/493724935.db2.gz KTXHOJLKTPHEBV-DOTOQJQBSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681164133 493748173 /nfs/dbraw/zinc/74/81/73/493748173.db2.gz NTGIUIWWCUSJMX-KRWDZBQOSA-N 1 3 360.506 0.939 20 0 FCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304043 493752381 /nfs/dbraw/zinc/75/23/81/493752381.db2.gz FXTGUIHMWUGUQB-IAGOWNOFSA-N 1 3 350.507 0.681 20 0 FCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672304043 493752382 /nfs/dbraw/zinc/75/23/82/493752382.db2.gz FXTGUIHMWUGUQB-IAGOWNOFSA-N 1 3 350.507 0.681 20 0 FCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C ZINC000672311499 493754639 /nfs/dbraw/zinc/75/46/39/493754639.db2.gz FFSRBFHZZIQAGE-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C ZINC000672311499 493754642 /nfs/dbraw/zinc/75/46/42/493754642.db2.gz FFSRBFHZZIQAGE-OIISXLGYSA-N 1 3 350.507 0.918 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1=O ZINC000936011218 674338352 /nfs/dbraw/zinc/33/83/52/674338352.db2.gz QGDVTLAJILEDCK-JKSUJKDBSA-N 1 3 354.495 0.155 20 0 FCADHO COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1=O ZINC000936011218 674338355 /nfs/dbraw/zinc/33/83/55/674338355.db2.gz QGDVTLAJILEDCK-JKSUJKDBSA-N 1 3 354.495 0.155 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410731984 527827608 /nfs/dbraw/zinc/82/76/08/527827608.db2.gz RBESLOJWDAVOJP-BBWFWOEESA-N 1 3 350.507 0.872 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410731984 527827613 /nfs/dbraw/zinc/82/76/13/527827613.db2.gz RBESLOJWDAVOJP-BBWFWOEESA-N 1 3 350.507 0.872 20 0 FCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000410434821 528248828 /nfs/dbraw/zinc/24/88/28/528248828.db2.gz PELGPIXWXIELDY-SJORKVTESA-N 1 3 368.522 0.498 20 0 FCADHO CCN1CCN(C[C@H](C)CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173919740 529148174 /nfs/dbraw/zinc/14/81/74/529148174.db2.gz WCKNNKHUFXCCTA-MRXNPFEDSA-N 1 3 365.526 0.840 20 0 FCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415080937 535049042 /nfs/dbraw/zinc/04/90/42/535049042.db2.gz MKZPODIIXANYLF-OAHLLOKOSA-N 1 3 361.490 0.882 20 0 FCADHO CCCN(C(=O)C(=O)NCC1(N2CCCC2)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419692300 535190484 /nfs/dbraw/zinc/19/04/84/535190484.db2.gz XVXLMGLRHVFBRP-INIZCTEOSA-N 1 3 366.506 0.348 20 0 FCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419282716 535218648 /nfs/dbraw/zinc/21/86/48/535218648.db2.gz IOSHZBXLEJKFIM-IAGOWNOFSA-N 1 3 368.522 0.579 20 0 FCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419761649 535298171 /nfs/dbraw/zinc/29/81/71/535298171.db2.gz KUSCZFUAJGKZDF-SJORKVTESA-N 1 3 368.522 0.579 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425322411 535475563 /nfs/dbraw/zinc/47/55/63/535475563.db2.gz TUYQDAOELWOLFH-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000425322411 535475566 /nfs/dbraw/zinc/47/55/66/535475566.db2.gz TUYQDAOELWOLFH-JKSUJKDBSA-N 1 3 354.495 0.156 20 0 FCADHO CCN(CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423483092 535523815 /nfs/dbraw/zinc/52/38/15/535523815.db2.gz YFICSDIKAPAKGR-CHWSQXEVSA-N 1 3 366.428 0.915 20 0 FCADHO CCOC(=O)[C@@H]1NCC[C@H]1NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423522843 535578752 /nfs/dbraw/zinc/57/87/52/535578752.db2.gz HSNTUEYFDLZHOD-QZTJIDSGSA-N 1 3 360.502 0.863 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CC1 ZINC000415315284 535749749 /nfs/dbraw/zinc/74/97/49/535749749.db2.gz ZATABMCKMQWRFC-UHFFFAOYSA-N 1 3 373.501 0.964 20 0 FCADHO CCN1CCN(c2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)c2)CC1 ZINC000419796952 535750139 /nfs/dbraw/zinc/75/01/39/535750139.db2.gz QSKJXVYKKMEKBD-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1=O ZINC000424041123 535881857 /nfs/dbraw/zinc/88/18/57/535881857.db2.gz SPUALLYNPQZZBS-UKPHBRMFSA-N 1 3 362.449 0.489 20 0 FCADHO CN(C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000419227982 535946018 /nfs/dbraw/zinc/94/60/18/535946018.db2.gz LOBWMLKTTAMUEI-DLBZAZTESA-N 1 3 350.507 0.968 20 0 FCADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423657727 536433309 /nfs/dbraw/zinc/43/33/09/536433309.db2.gz ZPBFNDCXJRDKBS-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423657727 536433313 /nfs/dbraw/zinc/43/33/13/536433313.db2.gz ZPBFNDCXJRDKBS-ZWKOTPCHSA-N 1 3 358.486 0.917 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000419761525 536481424 /nfs/dbraw/zinc/48/14/24/536481424.db2.gz KJKAWXRSXVXVMU-MSOLQXFVSA-N 1 3 358.486 0.963 20 0 FCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000419765154 536481576 /nfs/dbraw/zinc/48/15/76/536481576.db2.gz QBJDJKZDDRWECK-MSOLQXFVSA-N 1 3 358.486 0.963 20 0 FCADHO COCCCN(C)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424520140 536495626 /nfs/dbraw/zinc/49/56/26/536495626.db2.gz KLPOACDSBHRPKM-OAHLLOKOSA-N 1 3 354.495 0.062 20 0 FCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000419872741 536893146 /nfs/dbraw/zinc/89/31/46/536893146.db2.gz CULYUCRKNPLSRM-NJAFHUGGSA-N 1 3 374.485 0.419 20 0 FCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 ZINC000332705708 546854746 /nfs/dbraw/zinc/85/47/46/546854746.db2.gz WAOOQZRFBUIALD-KZNAEPCWSA-N 1 3 353.507 0.837 20 0 FCADHO COCC[NH2+]CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418505925 546907100 /nfs/dbraw/zinc/90/71/00/546907100.db2.gz GMTDZAJYLYJYOX-HOTGVXAUSA-N 1 3 356.511 0.753 20 0 FCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000550835464 547110354 /nfs/dbraw/zinc/11/03/54/547110354.db2.gz MTFHUAXVCUDEKF-KSSFIOAISA-N 1 3 370.563 0.729 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000550838431 547110488 /nfs/dbraw/zinc/11/04/88/547110488.db2.gz HITIMYWZQRZKNN-WMLDXEAASA-N 1 3 356.536 0.340 20 0 FCADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000550838431 547110491 /nfs/dbraw/zinc/11/04/91/547110491.db2.gz HITIMYWZQRZKNN-WMLDXEAASA-N 1 3 356.536 0.340 20 0 FCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000551068559 547123735 /nfs/dbraw/zinc/12/37/35/547123735.db2.gz CCIZAOCJZPWNEU-SJORKVTESA-N 1 3 350.507 0.921 20 0 FCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000551210839 547134238 /nfs/dbraw/zinc/13/42/38/547134238.db2.gz ABDPSOSVZBVLAH-YOEHRIQHSA-N 1 3 356.536 0.340 20 0 FCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000551210839 547134243 /nfs/dbraw/zinc/13/42/43/547134243.db2.gz ABDPSOSVZBVLAH-YOEHRIQHSA-N 1 3 356.536 0.340 20 0 FCADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCSC1 ZINC000551220729 547136000 /nfs/dbraw/zinc/13/60/00/547136000.db2.gz OERXKUVHUZTMQA-KRWDZBQOSA-N 1 3 356.536 0.484 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)N1CCC(C)CC1 ZINC000552687194 547223711 /nfs/dbraw/zinc/22/37/11/547223711.db2.gz CENBWOJGINCQNZ-BFYDXBDKSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552687194 547223717 /nfs/dbraw/zinc/22/37/17/547223717.db2.gz CENBWOJGINCQNZ-BFYDXBDKSA-N 1 3 350.507 0.822 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N(C)C1CC1 ZINC000553037939 547248536 /nfs/dbraw/zinc/24/85/36/547248536.db2.gz MLGIRJBDMDFTPW-GDBMZVCRSA-N 1 3 350.507 0.776 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000553093268 547253143 /nfs/dbraw/zinc/25/31/43/547253143.db2.gz AUCHGTOMZRAZNN-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000553093268 547253146 /nfs/dbraw/zinc/25/31/46/547253146.db2.gz AUCHGTOMZRAZNN-INIZCTEOSA-N 1 3 350.507 0.777 20 0 FCADHO Cc1nc(C)c(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000553695411 547300454 /nfs/dbraw/zinc/30/04/54/547300454.db2.gz XADXMQSCSRBGGO-UHFFFAOYSA-N 1 3 369.535 0.370 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000948965350 674391111 /nfs/dbraw/zinc/39/11/11/674391111.db2.gz DMCYOUWGEBBIDW-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000948965350 674391112 /nfs/dbraw/zinc/39/11/12/674391112.db2.gz DMCYOUWGEBBIDW-NVXWUHKLSA-N 1 3 350.507 0.777 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000949943501 674416533 /nfs/dbraw/zinc/41/65/33/674416533.db2.gz CLULTJYWPLNWIV-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000949943501 674416534 /nfs/dbraw/zinc/41/65/34/674416534.db2.gz CLULTJYWPLNWIV-OWCLPIDISA-N 1 3 350.507 0.776 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CN(CCCO)C1 ZINC000969687396 663188949 /nfs/dbraw/zinc/18/89/49/663188949.db2.gz NRLONHZIVJQHPU-OLMNPRSZSA-N 1 3 353.507 0.552 20 0 FCADHO COCCN1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891439225 663391281 /nfs/dbraw/zinc/39/12/81/663391281.db2.gz FZMSLANAEOLEMU-MRXNPFEDSA-N 1 3 354.495 0.555 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000971566239 663398020 /nfs/dbraw/zinc/39/80/20/663398020.db2.gz CGKANWQQUSSTAS-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000971566239 663398024 /nfs/dbraw/zinc/39/80/24/663398024.db2.gz CGKANWQQUSSTAS-IXDOHACOSA-N 1 3 350.507 0.872 20 0 FCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000891482586 663408960 /nfs/dbraw/zinc/40/89/60/663408960.db2.gz KITJWWOCWKTFMK-CVEARBPZSA-N 1 3 353.511 0.713 20 0 FCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891513453 663410898 /nfs/dbraw/zinc/41/08/98/663410898.db2.gz CIPGULPBMJUUHN-HRCADAONSA-N 1 3 352.479 0.308 20 0 FCADHO CN1CCN(CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1(C)C ZINC000891880954 663445773 /nfs/dbraw/zinc/44/57/73/663445773.db2.gz QCLBUFFIEWLKTC-STQMWFEESA-N 1 3 365.444 0.791 20 0 FCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000891980251 663460681 /nfs/dbraw/zinc/46/06/81/663460681.db2.gz UMOZLWMMSFVOAN-HNNXBMFYSA-N 1 3 351.495 0.501 20 0 FCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892080454 663473964 /nfs/dbraw/zinc/47/39/64/663473964.db2.gz XZAYUGHSSHDTHW-HUUCEWRRSA-N 1 3 351.495 0.500 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000973336132 664099379 /nfs/dbraw/zinc/09/93/79/664099379.db2.gz WWTBFERFMUVNKW-QUSNUVHPSA-N 1 3 350.507 0.964 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000973336132 664099383 /nfs/dbraw/zinc/09/93/83/664099383.db2.gz WWTBFERFMUVNKW-QUSNUVHPSA-N 1 3 350.507 0.964 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892820848 664146538 /nfs/dbraw/zinc/14/65/38/664146538.db2.gz WRONKVPUKAXYMP-NCOADZHNSA-N 1 3 352.479 0.090 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892820848 664146542 /nfs/dbraw/zinc/14/65/42/664146542.db2.gz WRONKVPUKAXYMP-NCOADZHNSA-N 1 3 352.479 0.090 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974186297 664227186 /nfs/dbraw/zinc/22/71/86/664227186.db2.gz HHPFZKCFXJUPGY-UUAJXVIYSA-N 1 3 350.507 0.964 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974186297 664227189 /nfs/dbraw/zinc/22/71/89/664227189.db2.gz HHPFZKCFXJUPGY-UUAJXVIYSA-N 1 3 350.507 0.964 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC000977820366 664425399 /nfs/dbraw/zinc/42/53/99/664425399.db2.gz WOEXVJZTOPOCPD-BZUAXINKSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC000977820366 664425404 /nfs/dbraw/zinc/42/54/04/664425404.db2.gz WOEXVJZTOPOCPD-BZUAXINKSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCCN2CCCC2=O)CC[N@@H+]1C ZINC001027894775 664472884 /nfs/dbraw/zinc/47/28/84/664472884.db2.gz PZGVHWXABJUAIU-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCCN2CCCC2=O)CC[N@H+]1C ZINC001027894775 664472886 /nfs/dbraw/zinc/47/28/86/664472886.db2.gz PZGVHWXABJUAIU-BRWVUGGUSA-N 1 3 350.507 0.920 20 0 FCADHO CN(C)CC[NH+]1CCC(CNCc2nc(Br)nn2C)CC1 ZINC000894241130 664932152 /nfs/dbraw/zinc/93/21/52/664932152.db2.gz HNUYSIYYRCCOJF-UHFFFAOYSA-N 1 3 359.316 0.941 20 0 FCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000888169352 665284948 /nfs/dbraw/zinc/28/49/48/665284948.db2.gz HNDPEGRIPHFEAK-JKSUJKDBSA-N 1 3 353.511 0.868 20 0 FCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000888169352 665284950 /nfs/dbraw/zinc/28/49/50/665284950.db2.gz HNDPEGRIPHFEAK-JKSUJKDBSA-N 1 3 353.511 0.868 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897480356 665292269 /nfs/dbraw/zinc/29/22/69/665292269.db2.gz XMEWPTGIGCJRLP-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897480356 665292270 /nfs/dbraw/zinc/29/22/70/665292270.db2.gz XMEWPTGIGCJRLP-MRXNPFEDSA-N 1 3 353.511 0.666 20 0 FCADHO CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000907602881 666146756 /nfs/dbraw/zinc/14/67/56/666146756.db2.gz FZEHJVGIWBZAFN-QGZVFWFLSA-N 1 3 354.539 0.706 20 0 FCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911561474 666366326 /nfs/dbraw/zinc/36/63/26/666366326.db2.gz HAQDSBWKUORQLJ-HOTGVXAUSA-N 1 3 354.495 0.204 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000938681395 666477300 /nfs/dbraw/zinc/47/73/00/666477300.db2.gz MEGNFTFMFQQRAW-BZUAXINKSA-N 1 3 350.507 0.870 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000938681395 666477303 /nfs/dbraw/zinc/47/73/03/666477303.db2.gz MEGNFTFMFQQRAW-BZUAXINKSA-N 1 3 350.507 0.870 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCCN3CC)C2)CC[N@@H+]1C ZINC000993882309 666946010 /nfs/dbraw/zinc/94/60/10/666946010.db2.gz CXCYLZSAQWFDHD-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCCN3CC)C2)CC[N@H+]1C ZINC000993882309 666946014 /nfs/dbraw/zinc/94/60/14/666946014.db2.gz CXCYLZSAQWFDHD-BBWFWOEESA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000994041157 666959769 /nfs/dbraw/zinc/95/97/69/666959769.db2.gz XSBBQQLYOXSAJD-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000994041157 666959771 /nfs/dbraw/zinc/95/97/71/666959771.db2.gz XSBBQQLYOXSAJD-OWCLPIDISA-N 1 3 350.507 0.633 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC[N@@H+]1C ZINC001002261096 667527310 /nfs/dbraw/zinc/52/73/10/667527310.db2.gz VKMGRKBBRRZSRS-BBWFWOEESA-N 1 3 352.523 0.878 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC[N@H+]1C ZINC001002261096 667527313 /nfs/dbraw/zinc/52/73/13/667527313.db2.gz VKMGRKBBRRZSRS-BBWFWOEESA-N 1 3 352.523 0.878 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN(CC(=O)N(C)C)C3)CC2)CC[N@@H+]1C ZINC001035187077 667775497 /nfs/dbraw/zinc/77/54/97/667775497.db2.gz OOPFCBHKFVHSCA-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN(CC(=O)N(C)C)C3)CC2)CC[N@H+]1C ZINC001035187077 667775499 /nfs/dbraw/zinc/77/54/99/667775499.db2.gz OOPFCBHKFVHSCA-HZPDHXFCSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000946907471 667840526 /nfs/dbraw/zinc/84/05/26/667840526.db2.gz CJMYMSQVUBAXPQ-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000946907471 667840528 /nfs/dbraw/zinc/84/05/28/667840528.db2.gz CJMYMSQVUBAXPQ-BFYDXBDKSA-N 1 3 350.507 0.918 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006187318 667856902 /nfs/dbraw/zinc/85/69/02/667856902.db2.gz OWVRFDMRYCFXKM-IIAWOOMASA-N 1 3 350.507 0.774 20 0 FCADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001006187318 667856907 /nfs/dbraw/zinc/85/69/07/667856907.db2.gz OWVRFDMRYCFXKM-IIAWOOMASA-N 1 3 350.507 0.774 20 0 FCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000764500901 667985449 /nfs/dbraw/zinc/98/54/49/667985449.db2.gz ASJHCROHMNHUEL-HZPDHXFCSA-N 1 3 367.563 0.584 20 0 FCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000764500901 667985451 /nfs/dbraw/zinc/98/54/51/667985451.db2.gz ASJHCROHMNHUEL-HZPDHXFCSA-N 1 3 367.563 0.584 20 0 FCADHO CN1CCC(NC(=S)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000814206876 669877934 /nfs/dbraw/zinc/87/79/34/669877934.db2.gz JWIVEPWJGDCLOL-UHFFFAOYSA-N 1 3 355.552 0.537 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1=O ZINC000834792245 669975269 /nfs/dbraw/zinc/97/52/69/669975269.db2.gz HRUTZJPWEOMCPO-LYGPFTKASA-N 1 3 350.507 0.920 20 0 FCADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1N ZINC000841104864 670534722 /nfs/dbraw/zinc/53/47/22/670534722.db2.gz VQNLWBURVXFITP-UHFFFAOYSA-N 1 3 351.451 0.168 20 0 FCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000842014889 670625980 /nfs/dbraw/zinc/62/59/80/670625980.db2.gz GCPPFDWSUAWABL-WBVHZDCISA-N 1 3 350.507 0.968 20 0 FCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000849052373 671316461 /nfs/dbraw/zinc/31/64/61/671316461.db2.gz UZIVAKQEWKQVIY-RRFJBIMHSA-N 1 3 359.540 0.693 20 0 FCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCN(S(=O)(=O)CC)CC1 ZINC000849081757 671317028 /nfs/dbraw/zinc/31/70/28/671317028.db2.gz CAAOOILBDYZLRH-HNNXBMFYSA-N 1 3 359.540 0.646 20 0 FCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000853461951 671547859 /nfs/dbraw/zinc/54/78/59/671547859.db2.gz FKFKIPZGVQAPDJ-UHFFFAOYSA-N 1 3 355.527 0.911 20 0 FCADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736239 675965275 /nfs/dbraw/zinc/96/52/75/675965275.db2.gz ITCJNRRIBSRVJW-KRWDZBQOSA-N 1 3 352.523 0.631 20 0 FCADHO O=C1[C@@H](N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574469 672139835 /nfs/dbraw/zinc/13/98/35/672139835.db2.gz JICZJEIGWFGYQY-MSOLQXFVSA-N 1 3 351.491 0.857 20 0 FCADHO O=C1[C@@H](N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000863574471 672139938 /nfs/dbraw/zinc/13/99/38/672139938.db2.gz JICZJEIGWFGYQY-ROUUACIJSA-N 1 3 351.491 0.857 20 0 FCADHO COCC[N@H+](C)CCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868353481 672395325 /nfs/dbraw/zinc/39/53/25/672395325.db2.gz CNDVMFLHBFNCPF-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO COCC[N@@H+](C)CCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868353481 672395327 /nfs/dbraw/zinc/39/53/27/672395327.db2.gz CNDVMFLHBFNCPF-UHFFFAOYSA-N 1 3 355.527 0.376 20 0 FCADHO O=S(=O)(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCNCC1 ZINC000923648240 672958432 /nfs/dbraw/zinc/95/84/32/672958432.db2.gz ZAZYEZROQRLICI-ZBFHGGJFSA-N 1 3 356.467 0.258 20 0 FCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1=O ZINC000877402682 673013031 /nfs/dbraw/zinc/01/30/31/673013031.db2.gz HWJONLHLLJAFRR-JKSUJKDBSA-N 1 3 350.507 0.825 20 0 FCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659462 673389911 /nfs/dbraw/zinc/38/99/11/673389911.db2.gz JDVPVMAUBFTDHX-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659462 673389915 /nfs/dbraw/zinc/38/99/15/673389915.db2.gz JDVPVMAUBFTDHX-INIZCTEOSA-N 1 3 350.507 0.921 20 0 FCADHO C[NH2+]CCOc1cccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000884406587 673451736 /nfs/dbraw/zinc/45/17/36/673451736.db2.gz YQBHLCCZBLFDOK-UHFFFAOYSA-N 1 3 350.463 0.377 20 0 FCADHO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1=CCN(C)CC1 ZINC000884623512 673466915 /nfs/dbraw/zinc/46/69/15/673466915.db2.gz FWMPUSVELCETGH-UHTWSYAYSA-N 1 3 362.396 0.349 20 0 FCADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000884705747 673474996 /nfs/dbraw/zinc/47/49/96/673474996.db2.gz GTAXFKAXCBMGBT-KGLIPLIRSA-N 1 3 354.495 0.548 20 0 FCADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000884787720 673482369 /nfs/dbraw/zinc/48/23/69/673482369.db2.gz ZWVNPODGPBQYRC-HOCLYGCPSA-N 1 3 352.479 0.086 20 0 FCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887083250 673621038 /nfs/dbraw/zinc/62/10/38/673621038.db2.gz VFPNSNNILPHBSW-LJQANCHMSA-N 1 3 350.507 0.923 20 0 FCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000887640432 673636630 /nfs/dbraw/zinc/63/66/30/673636630.db2.gz ZRYSAKPPADLMQN-MRXNPFEDSA-N 1 3 353.511 0.870 20 0 FCADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927633465 673871318 /nfs/dbraw/zinc/87/13/18/673871318.db2.gz BVLJUQMZQLMUJW-HYVNUMGLSA-N 1 3 354.495 0.336 20 0 FCADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927633465 673871321 /nfs/dbraw/zinc/87/13/21/673871321.db2.gz BVLJUQMZQLMUJW-HYVNUMGLSA-N 1 3 354.495 0.336 20 0 FCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047383873 675795483 /nfs/dbraw/zinc/79/54/83/675795483.db2.gz KPTUYMRXTSRCPC-OWSLCNJRSA-N 1 3 353.507 0.647 20 0 FCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112481471 1168509987 /nfs/dbraw/zinc/50/99/87/1168509987.db2.gz NMRWKPVECNNHIH-JOQVEUFWSA-N 1 3 363.502 0.450 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211512 1170754243 /nfs/dbraw/zinc/75/42/43/1170754243.db2.gz SCQXFXJXDZLLAO-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1)C1CCC1 ZINC001022211512 1170754258 /nfs/dbraw/zinc/75/42/58/1170754258.db2.gz SCQXFXJXDZLLAO-SOLBZPMBSA-N 1 3 362.518 0.872 20 0 FCADHO CN(CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CCC1 ZINC001022217617 1170766266 /nfs/dbraw/zinc/76/62/66/1170766266.db2.gz RVVJRGPHASLIBI-DOTOQJQBSA-N 1 3 360.502 0.626 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001691384597 1171251526 /nfs/dbraw/zinc/25/15/26/1171251526.db2.gz YCBOIFZGTFNDEC-ILXRZTDVSA-N 1 3 369.510 0.387 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022842647 1172048077 /nfs/dbraw/zinc/04/80/77/1172048077.db2.gz XRNGBSFFNCYFCB-BHYGNILZSA-N 1 3 357.458 0.353 20 0 FCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000989191192 1192732918 /nfs/dbraw/zinc/73/29/18/1192732918.db2.gz NDKJFJSMTZOCHP-KBMXLJTQSA-N 1 3 359.474 0.708 20 0 FCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000427030278 1178880270 /nfs/dbraw/zinc/88/02/70/1178880270.db2.gz YHCFESDPPBGHMZ-CQSZACIVSA-N 1 3 364.494 0.357 20 0 FCADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000892685592 1182276879 /nfs/dbraw/zinc/27/68/79/1182276879.db2.gz ALTUVSSKWARCSB-ROUUACIJSA-N 1 3 368.522 0.728 20 0 FCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001104680735 1182361766 /nfs/dbraw/zinc/36/17/66/1182361766.db2.gz WLURBELYMAFMSC-LZLYRXPVSA-N 1 3 364.534 0.929 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104938133 1183011768 /nfs/dbraw/zinc/01/17/68/1183011768.db2.gz PZZNKAQABWWUCO-SJLPKXTDSA-N 1 3 370.538 0.555 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105066906 1183100470 /nfs/dbraw/zinc/10/04/70/1183100470.db2.gz GBRVVMDLTKXYLA-QLFBSQMISA-N 1 3 369.510 0.245 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975816071 1185809194 /nfs/dbraw/zinc/80/91/94/1185809194.db2.gz LMYNXCCXUNHBBE-ZOBUZTSGSA-N 1 3 359.474 0.743 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)C1 ZINC000975816071 1185809195 /nfs/dbraw/zinc/80/91/95/1185809195.db2.gz LMYNXCCXUNHBBE-ZOBUZTSGSA-N 1 3 359.474 0.743 20 0 FCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC000976106486 1185887915 /nfs/dbraw/zinc/88/79/15/1185887915.db2.gz HYINZECIOVITJZ-SZMVWBNQSA-N 1 3 371.485 0.743 20 0 FCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000549939907 1187751950 /nfs/dbraw/zinc/75/19/50/1187751950.db2.gz FEOUJLYMGDLDIM-QGZVFWFLSA-N 1 3 367.538 0.071 20 0 FCADHO CN(CC(=O)N1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1)C(N)=[NH2+] ZINC001269992738 1187962562 /nfs/dbraw/zinc/96/25/62/1187962562.db2.gz WYSDRJXIYVKQGF-UHFFFAOYSA-N 1 3 360.462 0.427 20 0 FCADHO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc4[nH]c(N)nc4c3)C2)C1 ZINC001270272011 1188072400 /nfs/dbraw/zinc/07/24/00/1188072400.db2.gz HRSFATWAAITZRM-UHFFFAOYSA-N 1 3 356.430 0.381 20 0 FCADHO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc4[nH]c(N)nc4c3)C2)C1 ZINC001270272011 1188072407 /nfs/dbraw/zinc/07/24/07/1188072407.db2.gz HRSFATWAAITZRM-UHFFFAOYSA-N 1 3 356.430 0.381 20 0 FCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C2 ZINC000894788559 1188250797 /nfs/dbraw/zinc/25/07/97/1188250797.db2.gz SNWXZNYBPQWPJS-NPYXIHBLSA-N 1 3 365.522 0.806 20 0 FCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000894788559 1188250800 /nfs/dbraw/zinc/25/08/00/1188250800.db2.gz SNWXZNYBPQWPJS-NPYXIHBLSA-N 1 3 365.522 0.806 20 0 FCADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)C1=O ZINC001088026011 1190260712 /nfs/dbraw/zinc/26/07/12/1190260712.db2.gz NXIKLMTVJURFEY-IKGGRYGDSA-N 1 3 360.502 0.626 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088107291 1190595927 /nfs/dbraw/zinc/59/59/27/1190595927.db2.gz QHAWOEHGHRTOHF-SJORKVTESA-N 1 3 360.506 0.790 20 0 FCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)C1 ZINC001088107291 1190595930 /nfs/dbraw/zinc/59/59/30/1190595930.db2.gz QHAWOEHGHRTOHF-SJORKVTESA-N 1 3 360.506 0.790 20 0 FCADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000985825530 1190825023 /nfs/dbraw/zinc/82/50/23/1190825023.db2.gz AMVDNUOBZVFTQE-FGTMMUONSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CN3CCCC3)C[C@H]2C1)[NH+](C)C ZINC000986462107 1191005272 /nfs/dbraw/zinc/00/52/72/1191005272.db2.gz RQPHXJVCALXZQZ-ZIFCJYIRSA-N 1 3 364.534 0.975 20 0 FCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000550659725 1193727073 /nfs/dbraw/zinc/72/70/73/1193727073.db2.gz CRAVGRUGXFHKBF-INIZCTEOSA-N 1 3 368.522 0.404 20 0 FCADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1)N1CCCC1 ZINC001691612762 1193801104 /nfs/dbraw/zinc/80/11/04/1193801104.db2.gz PESQPCRJFMHITI-LSDHHAIUSA-N 1 3 359.536 0.780 20 0 FCADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000551151918 1193835767 /nfs/dbraw/zinc/83/57/67/1193835767.db2.gz LDXHGLMECWJUGL-HZPDHXFCSA-N 1 3 369.554 0.079 20 0 FCADHO CC(C)[C@H]1N(C(=O)CN(C)CC(C)(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105655366 1193860088 /nfs/dbraw/zinc/86/00/88/1193860088.db2.gz HUNCOJLYUYGYOD-QQTQMKHKSA-N 1 3 369.550 0.923 20 0 FCADHO CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658760 1193861371 /nfs/dbraw/zinc/86/13/71/1193861371.db2.gz JOBWOVDSKCUISD-RGCFKVTRSA-N 1 3 368.522 0.040 20 0 FCADHO CN1CCN(c2ncc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)cn2)CC1 ZINC001218580576 1224176672 /nfs/dbraw/zinc/17/66/72/1224176672.db2.gz SBEANYRMWRBOFD-OAHLLOKOSA-N 1 3 359.478 0.041 20 0 FCADHO O=C(Nc1ncnc2c1cnn2-c1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218608218 1224180954 /nfs/dbraw/zinc/18/09/54/1224180954.db2.gz AJBHZZNHWUOJMI-BFUOFWGJSA-N 1 3 363.425 0.953 20 0 FCADHO CC1(C)CC[N@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000898596100 1194048718 /nfs/dbraw/zinc/04/87/18/1194048718.db2.gz POVGWWARKGBGNS-UHFFFAOYSA-N 1 3 365.522 0.668 20 0 FCADHO CC1(C)CC[N@@H+](CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000898596100 1194048720 /nfs/dbraw/zinc/04/87/20/1194048720.db2.gz POVGWWARKGBGNS-UHFFFAOYSA-N 1 3 365.522 0.668 20 0 FCADHO CC(C)N(C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001142583975 1194049502 /nfs/dbraw/zinc/04/95/02/1194049502.db2.gz DGYKGBYEOBZMME-UHFFFAOYSA-N 1 3 367.538 0.023 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000842220741 1194105656 /nfs/dbraw/zinc/10/56/56/1194105656.db2.gz HZQTZNCBZASKRA-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000842220741 1194105660 /nfs/dbraw/zinc/10/56/60/1194105660.db2.gz HZQTZNCBZASKRA-UHFFFAOYSA-N 1 3 373.501 0.977 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)CC[N@@H+]1C ZINC000990792294 1194164819 /nfs/dbraw/zinc/16/48/19/1194164819.db2.gz RJOMSHIBVFALAW-OAFZBRQQSA-N 1 3 363.506 0.465 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CCN2CCNC2=O)CC3)CC[N@H+]1C ZINC000990792294 1194164821 /nfs/dbraw/zinc/16/48/21/1194164821.db2.gz RJOMSHIBVFALAW-OAFZBRQQSA-N 1 3 363.506 0.465 20 0 FCADHO Cc1nc2[nH]cnc2c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218700078 1224199264 /nfs/dbraw/zinc/19/92/64/1224199264.db2.gz VKQODGQCFPYLSF-RYUDHWBXSA-N 1 3 374.449 0.047 20 0 FCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691627268 1194325563 /nfs/dbraw/zinc/32/55/63/1194325563.db2.gz ZQFYPQZCAUMTAG-IYOUNJFTSA-N 1 3 356.486 0.819 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457521 1194498443 /nfs/dbraw/zinc/49/84/43/1194498443.db2.gz GYYPLFBVIAWSBM-RYQLBKOJSA-N 1 3 358.486 0.760 20 0 FCADHO Cn1ccc(CN2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076457521 1194498448 /nfs/dbraw/zinc/49/84/48/1194498448.db2.gz GYYPLFBVIAWSBM-RYQLBKOJSA-N 1 3 358.486 0.760 20 0 FCADHO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1COC2(CNC2)CN1 ZINC001218860208 1224243015 /nfs/dbraw/zinc/24/30/15/1224243015.db2.gz UTYHRAZLSYZDJF-KRWDZBQOSA-N 1 3 360.458 0.430 20 0 FCADHO Cn1cnc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])cc21 ZINC001218885316 1224247038 /nfs/dbraw/zinc/24/70/38/1224247038.db2.gz IXTIHPAACSOVBQ-HOCLYGCPSA-N 1 3 372.473 0.959 20 0 FCADHO CCOC1CC(CN2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)C1 ZINC001083563350 1195221398 /nfs/dbraw/zinc/22/13/98/1195221398.db2.gz LFCGDTQYWVKADW-HIEASXQVSA-N 1 3 365.518 0.839 20 0 FCADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CCC[C@H]3CCOC3)C[C@@H]21 ZINC001218971316 1224276909 /nfs/dbraw/zinc/27/69/09/1224276909.db2.gz YBMHNABHIGVUJV-OKZBNKHCSA-N 1 3 369.506 0.293 20 0 FCADHO CCN1CCN(c2ccc(CNC(=O)C3CN(C)CC[N@H+](C)C3)cn2)CC1 ZINC000906230593 1195620135 /nfs/dbraw/zinc/62/01/35/1195620135.db2.gz AMXSGRNOMBPCJU-UHFFFAOYSA-N 1 3 374.533 0.333 20 0 FCADHO CCN1CCN(c2ccc(CNC(=O)C3CN(C)CC[N@@H+](C)C3)cn2)CC1 ZINC000906230593 1195620137 /nfs/dbraw/zinc/62/01/37/1195620137.db2.gz AMXSGRNOMBPCJU-UHFFFAOYSA-N 1 3 374.533 0.333 20 0 FCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000910828343 1195847614 /nfs/dbraw/zinc/84/76/14/1195847614.db2.gz IIBOMBXZGINOBR-SOLBZPMBSA-N 1 3 371.485 0.671 20 0 FCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029225 1195880123 /nfs/dbraw/zinc/88/01/23/1195880123.db2.gz LSXOLJJJNYPLTC-DTTOXWODSA-N 1 3 358.486 0.964 20 0 FCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911029225 1195880125 /nfs/dbraw/zinc/88/01/25/1195880125.db2.gz LSXOLJJJNYPLTC-DTTOXWODSA-N 1 3 358.486 0.964 20 0 FCADHO CN1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000911170843 1195909927 /nfs/dbraw/zinc/90/99/27/1195909927.db2.gz XSRFVFZFQNTXQS-QGZVFWFLSA-N 1 3 373.501 0.089 20 0 FCADHO CC1(C)CC(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655069 1196349898 /nfs/dbraw/zinc/34/98/98/1196349898.db2.gz UCDXMVXSNADDPY-FWFFWDSWSA-N 1 3 363.502 0.447 20 0 FCADHO CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H](O)C2)C1 ZINC001083655069 1196349903 /nfs/dbraw/zinc/34/99/03/1196349903.db2.gz UCDXMVXSNADDPY-FWFFWDSWSA-N 1 3 363.502 0.447 20 0 FCADHO N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219090522 1224349705 /nfs/dbraw/zinc/34/97/05/1224349705.db2.gz XPHWKZGBBABPDX-ADLMAVQZSA-N 1 3 372.404 0.715 20 0 FCADHO COC(=O)C1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000593737600 1196652479 /nfs/dbraw/zinc/65/24/79/1196652479.db2.gz PTMSWWJYZDPQEM-GVDBMIGSSA-N 1 3 367.490 0.616 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106249585 1197781239 /nfs/dbraw/zinc/78/12/39/1197781239.db2.gz LIJZQPGPNQCCLZ-SIIHOXLZSA-N 1 3 364.490 0.160 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255222 1197792958 /nfs/dbraw/zinc/79/29/58/1197792958.db2.gz KNUJAHBUHMQJCG-HZPDHXFCSA-N 1 3 368.522 0.308 20 0 FCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)N1CCCC1 ZINC001085295636 1197801393 /nfs/dbraw/zinc/80/13/93/1197801393.db2.gz QWNBJXWLNGROCE-KFWWJZLASA-N 1 3 364.490 0.683 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736385936 1197929530 /nfs/dbraw/zinc/92/95/30/1197929530.db2.gz CPEGFIZZSCNTDR-BPQIPLTHSA-N 1 3 366.506 0.650 20 0 FCADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106634950 1198039554 /nfs/dbraw/zinc/03/95/54/1198039554.db2.gz QUHZXJMLSJNYNR-JFIYKMOQSA-N 1 3 370.538 0.409 20 0 FCADHO Nc1cccc2c1N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001219439911 1224467856 /nfs/dbraw/zinc/46/78/56/1224467856.db2.gz OXYYDVRVBGCMHT-HOTGVXAUSA-N 1 3 359.474 0.605 20 0 FCADHO O=C(Nc1ccc(O[C@H]2CCNCC2(F)F)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219453695 1224475617 /nfs/dbraw/zinc/47/56/17/1224475617.db2.gz NNGRWCULOQVGMW-CABCVRRESA-N 1 3 366.412 0.810 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@H](N)Cc1c[nH]cn1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498349 1224488416 /nfs/dbraw/zinc/48/84/16/1224488416.db2.gz WTMJCOMIAZWEOK-XIKOKIGWSA-N 1 3 370.413 0.110 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@H](N)Cc1cnc[nH]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498349 1224488421 /nfs/dbraw/zinc/48/84/21/1224488421.db2.gz WTMJCOMIAZWEOK-XIKOKIGWSA-N 1 3 370.413 0.110 20 0 FCADHO COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H](OC)CCN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503854 1224490035 /nfs/dbraw/zinc/49/00/35/1224490035.db2.gz OBGKAXNYVDCOSN-SGJUXQJHSA-N 1 3 374.441 0.584 20 0 FCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)COC1(C)C ZINC001219539794 1224502802 /nfs/dbraw/zinc/50/28/02/1224502802.db2.gz AUHRWNKFZNOESO-YODMDTAWSA-N 1 3 374.441 0.384 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCC[C@H](N)C1 ZINC001169170480 1199053788 /nfs/dbraw/zinc/05/37/88/1199053788.db2.gz VZHNJGGRVPWGHZ-KBPBESRZSA-N 1 3 362.478 0.416 20 0 FCADHO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCC[C@H](N)C1 ZINC001169170480 1199053798 /nfs/dbraw/zinc/05/37/98/1199053798.db2.gz VZHNJGGRVPWGHZ-KBPBESRZSA-N 1 3 362.478 0.416 20 0 FCADHO C[C@@H](CN)C[N@H+](C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181347 1199054844 /nfs/dbraw/zinc/05/48/44/1199054844.db2.gz OHDXSTGJXDAVET-KBPBESRZSA-N 1 3 364.494 0.519 20 0 FCADHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169181347 1199054852 /nfs/dbraw/zinc/05/48/52/1199054852.db2.gz OHDXSTGJXDAVET-KBPBESRZSA-N 1 3 364.494 0.519 20 0 FCADHO N[C@@H](C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CCC2(CC1)OCCO2 ZINC001219743970 1224589457 /nfs/dbraw/zinc/58/94/57/1224589457.db2.gz QAXPFKBOZUNFJR-JKSUJKDBSA-N 1 3 367.490 0.664 20 0 FCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCc3ncnn32)CC1 ZINC001109651008 1200443838 /nfs/dbraw/zinc/44/38/38/1200443838.db2.gz FAHDFLFMIHNXDK-UGUYLWEFSA-N 1 3 358.490 0.829 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831772 1224643897 /nfs/dbraw/zinc/64/38/97/1224643897.db2.gz XPLDDARUVKXNNQ-NRKLIOEPSA-N 1 3 368.522 0.384 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129855390 1201405637 /nfs/dbraw/zinc/40/56/37/1201405637.db2.gz JFRBYUPPLXWKMG-SYQHCUMBSA-N 1 3 374.411 0.912 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129855390 1201405639 /nfs/dbraw/zinc/40/56/39/1201405639.db2.gz JFRBYUPPLXWKMG-SYQHCUMBSA-N 1 3 374.411 0.912 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910329 1201423292 /nfs/dbraw/zinc/42/32/92/1201423292.db2.gz OKUOXAJUGRGIPB-ZACQAIPSSA-N 1 3 364.494 0.529 20 0 FCADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895917 1201430549 /nfs/dbraw/zinc/43/05/49/1201430549.db2.gz MCNAMYFCQMGDIA-BBWFWOEESA-N 1 3 364.494 0.244 20 0 FCADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129895917 1201430551 /nfs/dbraw/zinc/43/05/51/1201430551.db2.gz MCNAMYFCQMGDIA-BBWFWOEESA-N 1 3 364.494 0.244 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983343 1201463153 /nfs/dbraw/zinc/46/31/53/1201463153.db2.gz YELJSBRQCKMFRL-CVEARBPZSA-N 1 3 364.494 0.386 20 0 FCADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012091 1201471168 /nfs/dbraw/zinc/47/11/68/1201471168.db2.gz OFXKLIPASZRDIR-CVEARBPZSA-N 1 3 364.494 0.388 20 0 FCADHO COCCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012036 1201471317 /nfs/dbraw/zinc/47/13/17/1201471317.db2.gz LBHSTKATFWWYQZ-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO CC(C)OCCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094700 1201498572 /nfs/dbraw/zinc/49/85/72/1201498572.db2.gz PXBXXOYZZLGZEX-SJORKVTESA-N 1 3 366.510 0.777 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001130107187 1201502348 /nfs/dbraw/zinc/50/23/48/1201502348.db2.gz IEWMVGQGAAVYLM-SJORKVTESA-N 1 3 364.494 0.388 20 0 FCADHO CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220050006 1224737883 /nfs/dbraw/zinc/73/78/83/1224737883.db2.gz XJEKOMGISUMVLM-KKUMJFAQSA-N 1 3 370.494 0.282 20 0 FCADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672135 1202751646 /nfs/dbraw/zinc/75/16/46/1202751646.db2.gz IUIXHXQRWKFPTB-SOLBZPMBSA-N 1 3 363.506 0.825 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)CCO2 ZINC001220069965 1224744625 /nfs/dbraw/zinc/74/46/25/1224744625.db2.gz UYJHZBIPYNZJOS-IRXDYDNUSA-N 1 3 374.485 0.685 20 0 FCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001131454220 1202898530 /nfs/dbraw/zinc/89/85/30/1202898530.db2.gz RAJKVVKSDAMWTD-SQNIBIBYSA-N 1 3 369.506 0.075 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1COC2=O ZINC000808937688 1202907012 /nfs/dbraw/zinc/90/70/12/1202907012.db2.gz CKSBVKSRLQDNPJ-UHFFFAOYSA-N 1 3 362.430 0.247 20 0 FCADHO CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c1 ZINC001220120583 1224776833 /nfs/dbraw/zinc/77/68/33/1224776833.db2.gz IIZUXYHNUBAGPW-FZKQIMNGSA-N 1 3 359.430 0.350 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000844191923 1203338747 /nfs/dbraw/zinc/33/87/47/1203338747.db2.gz SYUJOTLQLJDTBK-SFHVURJKSA-N 1 3 361.490 0.867 20 0 FCADHO O=C(N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220353880 1224839846 /nfs/dbraw/zinc/83/98/46/1224839846.db2.gz LNRHWEOPPIEEPJ-QAETUUGQSA-N 1 3 361.442 0.285 20 0 FCADHO O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220357333 1224842245 /nfs/dbraw/zinc/84/22/45/1224842245.db2.gz KJHBANJKHOPUMZ-QZWWFDLISA-N 1 3 361.442 0.285 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737689 1204837779 /nfs/dbraw/zinc/83/77/79/1204837779.db2.gz HNFSYBBKIKKELV-KPFFTGBYSA-N 1 3 362.518 0.729 20 0 FCADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1)C1CC1 ZINC001091737689 1204837780 /nfs/dbraw/zinc/83/77/80/1204837780.db2.gz HNFSYBBKIKKELV-KPFFTGBYSA-N 1 3 362.518 0.729 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001091758935 1204843623 /nfs/dbraw/zinc/84/36/23/1204843623.db2.gz RWFAXIYHXWZWNG-GJYPPUQNSA-N 1 3 365.522 0.378 20 0 FCADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1)N(C)C ZINC001091758935 1204843624 /nfs/dbraw/zinc/84/36/24/1204843624.db2.gz RWFAXIYHXWZWNG-GJYPPUQNSA-N 1 3 365.522 0.378 20 0 FCADHO COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001086854217 1204852879 /nfs/dbraw/zinc/85/28/79/1204852879.db2.gz NCXGLVKBZNOMGW-LSDHHAIUSA-N 1 3 359.474 0.956 20 0 FCADHO Cn1cc([C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086979108 1204877216 /nfs/dbraw/zinc/87/72/16/1204877216.db2.gz JIUWFJNVRNTMNG-DLBZAZTESA-N 1 3 363.506 0.561 20 0 FCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086989317 1204882333 /nfs/dbraw/zinc/88/23/33/1204882333.db2.gz VHIJXLWDJSWJFZ-FXICWAJMSA-N 1 3 359.474 0.187 20 0 FCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087059746 1204943764 /nfs/dbraw/zinc/94/37/64/1204943764.db2.gz SRKQQVLDTRSICX-GDBMZVCRSA-N 1 3 364.494 0.253 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087061172 1204947912 /nfs/dbraw/zinc/94/79/12/1204947912.db2.gz SBMRDNFACTYMCO-NXHRZFHOSA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087083496 1204970130 /nfs/dbraw/zinc/97/01/30/1204970130.db2.gz HVRLKKWXUXLCGL-BFYDXBDKSA-N 1 3 364.494 0.110 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001087080859 1204992928 /nfs/dbraw/zinc/99/29/28/1204992928.db2.gz JETVROLAVNDXND-JFIYKMOQSA-N 1 3 365.522 0.959 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccn(CC)n1 ZINC001087100944 1204998664 /nfs/dbraw/zinc/99/86/64/1204998664.db2.gz MCPCUEJOCYPBEJ-LZLYRXPVSA-N 1 3 363.506 0.808 20 0 FCADHO CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccn(CC)n1 ZINC001087100944 1204998673 /nfs/dbraw/zinc/99/86/73/1204998673.db2.gz MCPCUEJOCYPBEJ-LZLYRXPVSA-N 1 3 363.506 0.808 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011502 1205112540 /nfs/dbraw/zinc/11/25/40/1205112540.db2.gz XQQVHITXYDXTMB-HLIPFELVSA-N 1 3 362.518 0.873 20 0 FCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092011502 1205112541 /nfs/dbraw/zinc/11/25/41/1205112541.db2.gz XQQVHITXYDXTMB-HLIPFELVSA-N 1 3 362.518 0.873 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301502 1205234996 /nfs/dbraw/zinc/23/49/96/1205234996.db2.gz KXEDZFZTDPDLNS-LMMKCTJWSA-N 1 3 360.506 0.933 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092301502 1205235000 /nfs/dbraw/zinc/23/50/00/1205235000.db2.gz KXEDZFZTDPDLNS-LMMKCTJWSA-N 1 3 360.506 0.933 20 0 FCADHO CCOC(=O)C1=C(NC(=O)c2cccnc2O[C@H]2CC[NH2+]C2)CCNC1 ZINC001220525687 1224906624 /nfs/dbraw/zinc/90/66/24/1224906624.db2.gz OOUOVIKFNWIVIR-LBPRGKRZSA-N 1 3 360.414 0.363 20 0 FCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120739 1206027555 /nfs/dbraw/zinc/02/75/55/1206027555.db2.gz LOAFZTQJIBRVFF-ZTFGCOKTSA-N 1 3 362.518 0.681 20 0 FCADHO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001093137172 1206034022 /nfs/dbraw/zinc/03/40/22/1206034022.db2.gz REVGAKALICDQNE-ZIAGYGMSSA-N 1 3 357.462 0.774 20 0 FCADHO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001093137172 1206034026 /nfs/dbraw/zinc/03/40/26/1206034026.db2.gz REVGAKALICDQNE-ZIAGYGMSSA-N 1 3 357.462 0.774 20 0 FCADHO CC(C)[C@@H]1N(C(=O)C(C)(C)N2CCCC2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093460181 1206083560 /nfs/dbraw/zinc/08/35/60/1206083560.db2.gz QGNDHOYXEFETLC-PDOICOKGSA-N 1 3 367.534 0.819 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CNCc1ncnn1CCF ZINC001093824020 1206123994 /nfs/dbraw/zinc/12/39/94/1206123994.db2.gz CSZXGJDRDZQXHP-FRFSOERESA-N 1 3 366.485 0.772 20 0 FCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417146 1206223981 /nfs/dbraw/zinc/22/39/81/1206223981.db2.gz JRWCCKNRGDXKHL-MBOZVWFJSA-N 1 3 362.518 0.777 20 0 FCADHO O=C(NC[C@]12CCC[C@H]1[N@H+](CCCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001094474303 1206233685 /nfs/dbraw/zinc/23/36/85/1206233685.db2.gz UFVIBQIUDLEKMY-MXPCJUPISA-N 1 3 363.502 0.593 20 0 FCADHO O=C(NC[C@]12CCC[C@H]1[N@@H+](CCCO)CC2)[C@H]1CN2CC3CC2(C3)CO1 ZINC001094474303 1206233687 /nfs/dbraw/zinc/23/36/87/1206233687.db2.gz UFVIBQIUDLEKMY-MXPCJUPISA-N 1 3 363.502 0.593 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCCC2)CC3)C1 ZINC001094578391 1206240330 /nfs/dbraw/zinc/24/03/30/1206240330.db2.gz UUDVXUFGWAKTEM-SQGPQFPESA-N 1 3 362.518 0.921 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)N2CCCC2)CC3)C1 ZINC001094578391 1206240332 /nfs/dbraw/zinc/24/03/32/1206240332.db2.gz UUDVXUFGWAKTEM-SQGPQFPESA-N 1 3 362.518 0.921 20 0 FCADHO CN(C)CCN1CCN(C)C2(CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)CC2)C1=O ZINC001172240693 1206260703 /nfs/dbraw/zinc/26/07/03/1206260703.db2.gz ZCYIFFKXPNMATO-AYHJJNSGSA-N 1 3 362.518 0.643 20 0 FCADHO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)C1 ZINC001183379899 1206452913 /nfs/dbraw/zinc/45/29/13/1206452913.db2.gz RTKKLVRENFSDDV-CALCHBBNSA-N 1 3 358.486 0.963 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220642459 1224980469 /nfs/dbraw/zinc/98/04/69/1224980469.db2.gz BVNWRUBBRZWCOF-JQHSSLGASA-N 1 3 369.506 0.218 20 0 FCADHO CO[C@@H](CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC001220642688 1224982796 /nfs/dbraw/zinc/98/27/96/1224982796.db2.gz IMPFRURECFWDON-SQNIBIBYSA-N 1 3 369.506 0.074 20 0 FCADHO O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220687047 1225013089 /nfs/dbraw/zinc/01/30/89/1225013089.db2.gz CWYSQZSMTKCDIG-IRXDYDNUSA-N 1 3 356.470 0.350 20 0 FCADHO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001196214469 1208067928 /nfs/dbraw/zinc/06/79/28/1208067928.db2.gz CTZKNZGNGZWTPQ-RTBURBONSA-N 1 3 363.502 0.747 20 0 FCADHO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001196214469 1208067930 /nfs/dbraw/zinc/06/79/30/1208067930.db2.gz CTZKNZGNGZWTPQ-RTBURBONSA-N 1 3 363.502 0.747 20 0 FCADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001197319464 1208152692 /nfs/dbraw/zinc/15/26/92/1208152692.db2.gz IMPFRURECFWDON-KZNAEPCWSA-N 1 3 369.506 0.074 20 0 FCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197320097 1208153258 /nfs/dbraw/zinc/15/32/58/1208153258.db2.gz VNXQVYQOBLEVAJ-KBAYOESNSA-N 1 3 369.506 0.075 20 0 FCADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC/C=C\c2ccccc2)C[C@@H]1O ZINC001220768663 1225062649 /nfs/dbraw/zinc/06/26/49/1225062649.db2.gz XGEMIXSGMWVTGO-FZWSFRSISA-N 1 3 361.486 0.829 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)CC[N@@H+]1C ZINC001488409090 1208509054 /nfs/dbraw/zinc/50/90/54/1208509054.db2.gz JHFGOEQFRACRGA-OWCLPIDISA-N 1 3 370.538 0.240 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)CC[N@H+]1C ZINC001488409090 1208509062 /nfs/dbraw/zinc/50/90/62/1208509062.db2.gz JHFGOEQFRACRGA-OWCLPIDISA-N 1 3 370.538 0.240 20 0 FCADHO C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1 ZINC001489199133 1208660894 /nfs/dbraw/zinc/66/08/94/1208660894.db2.gz CGCILPMGHDQHLT-MSOLQXFVSA-N 1 3 358.486 0.427 20 0 FCADHO C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1 ZINC001489199133 1208660899 /nfs/dbraw/zinc/66/08/99/1208660899.db2.gz CGCILPMGHDQHLT-MSOLQXFVSA-N 1 3 358.486 0.427 20 0 FCADHO COC(=O)[C@H](CNC(=O)[C@H](N)CCC[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220840542 1225100845 /nfs/dbraw/zinc/10/08/45/1225100845.db2.gz PCPWOBZLDXNJJL-HUUCEWRRSA-N 1 3 362.430 0.616 20 0 FCADHO NC(=[NH2+])NCCCCC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220900129 1225129294 /nfs/dbraw/zinc/12/92/94/1225129294.db2.gz BCVLFQCCVMFWKT-UHFFFAOYSA-N 1 3 366.510 0.233 20 0 FCADHO CN1CCN(CC2(C)CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)CC1 ZINC000851935459 1209524310 /nfs/dbraw/zinc/52/43/10/1209524310.db2.gz VWNFJJBRNDODKE-OAQYLSRUSA-N 1 3 374.529 0.709 20 0 FCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976833 1225168975 /nfs/dbraw/zinc/16/89/75/1225168975.db2.gz PQSMMVCTKVMISJ-KBPBESRZSA-N 1 3 364.465 0.706 20 0 FCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867542237 1210012271 /nfs/dbraw/zinc/01/22/71/1210012271.db2.gz DWWCDMCKIZFHLI-UHFFFAOYSA-N 1 3 367.538 0.025 20 0 FCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868385336 1210058020 /nfs/dbraw/zinc/05/80/20/1210058020.db2.gz PIDKXSBTEUZZHQ-KRWDZBQOSA-N 1 3 367.538 0.057 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ncn2ccccc12 ZINC001221008144 1225184498 /nfs/dbraw/zinc/18/44/98/1225184498.db2.gz KXIGDQFXAVABLI-YOEHRIQHSA-N 1 3 372.473 0.398 20 0 FCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000876781526 1210430223 /nfs/dbraw/zinc/43/02/23/1210430223.db2.gz HWEXULWWCDBGRZ-DOTOQJQBSA-N 1 3 362.522 0.729 20 0 FCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221073461 1225211590 /nfs/dbraw/zinc/21/15/90/1225211590.db2.gz XMYJSYNKECYPDQ-QRVBRYPASA-N 1 3 367.534 0.965 20 0 FCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883331901 1210661985 /nfs/dbraw/zinc/66/19/85/1210661985.db2.gz JFNAMQNIVGBXBS-RCCFBDPRSA-N 1 3 366.506 0.792 20 0 FCADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)N1CCCNCC1 ZINC000883603657 1210673201 /nfs/dbraw/zinc/67/32/01/1210673201.db2.gz AMGZPMCYEDQIFO-SFHVURJKSA-N 1 3 371.485 0.731 20 0 FCADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C(=O)N1CCCNCC1 ZINC000883603657 1210673202 /nfs/dbraw/zinc/67/32/02/1210673202.db2.gz AMGZPMCYEDQIFO-SFHVURJKSA-N 1 3 371.485 0.731 20 0 FCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123586 1225230227 /nfs/dbraw/zinc/23/02/27/1225230227.db2.gz AQMLWPULVXZJPD-HOCLYGCPSA-N 1 3 361.490 0.655 20 0 FCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659707 1210682436 /nfs/dbraw/zinc/68/24/36/1210682436.db2.gz PYYURFQWVMNXFA-KRWDZBQOSA-N 1 3 362.518 0.921 20 0 FCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883659707 1210682441 /nfs/dbraw/zinc/68/24/41/1210682441.db2.gz PYYURFQWVMNXFA-KRWDZBQOSA-N 1 3 362.518 0.921 20 0 FCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCNCCC23CCC3)CCO1 ZINC000883661021 1210683228 /nfs/dbraw/zinc/68/32/28/1210683228.db2.gz ZTMMRRUVSALRQI-MRXNPFEDSA-N 1 3 366.506 0.300 20 0 FCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000883711489 1210685170 /nfs/dbraw/zinc/68/51/70/1210685170.db2.gz PPBVKKREALBPRE-IYBDPMFKSA-N 1 3 365.522 0.842 20 0 FCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884414609 1210733506 /nfs/dbraw/zinc/73/35/06/1210733506.db2.gz WVKSPAUSZLGCEB-QGZVFWFLSA-N 1 3 359.474 0.474 20 0 FCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)Cc2ccccc2C1 ZINC000884566401 1210752790 /nfs/dbraw/zinc/75/27/90/1210752790.db2.gz IZFDSAHJQAEUMS-ZWKOTPCHSA-N 1 3 370.497 0.555 20 0 FCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884656678 1210773106 /nfs/dbraw/zinc/77/31/06/1210773106.db2.gz PGNHTYPTYBWJGQ-IFXJQAMLSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000884669974 1210776059 /nfs/dbraw/zinc/77/60/59/1210776059.db2.gz LVEQPDDKNUUJJN-INIZCTEOSA-N 1 3 367.538 0.106 20 0 FCADHO CN1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000884672414 1210776758 /nfs/dbraw/zinc/77/67/58/1210776758.db2.gz SVCSHKWLTBUQTJ-UHFFFAOYSA-N 1 3 365.522 0.003 20 0 FCADHO CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884725899 1210790629 /nfs/dbraw/zinc/79/06/29/1210790629.db2.gz BSCVXMUBBSHVGQ-MRXNPFEDSA-N 1 3 366.506 0.348 20 0 FCADHO [NH3+][C@@H](CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)Cc1ccccc1 ZINC000884886012 1210802879 /nfs/dbraw/zinc/80/28/79/1210802879.db2.gz GGZGUFUTRMZHQR-ROUUACIJSA-N 1 3 358.486 0.759 20 0 FCADHO O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221153950 1225242384 /nfs/dbraw/zinc/24/23/84/1225242384.db2.gz VWLUDIQPPHPBSO-HNNXBMFYSA-N 1 3 372.473 0.492 20 0 FCADHO O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221153950 1225242391 /nfs/dbraw/zinc/24/23/91/1225242391.db2.gz VWLUDIQPPHPBSO-HNNXBMFYSA-N 1 3 372.473 0.492 20 0 FCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[N@@H+]1C ZINC000885156132 1210813457 /nfs/dbraw/zinc/81/34/57/1210813457.db2.gz MPMCMDPOJZDOIQ-JLSDUUJJSA-N 1 3 358.486 0.758 20 0 FCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[N@H+]1C ZINC000885156132 1210813458 /nfs/dbraw/zinc/81/34/58/1210813458.db2.gz MPMCMDPOJZDOIQ-JLSDUUJJSA-N 1 3 358.486 0.758 20 0 FCADHO CC(C)COC[C@@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001691719522 1210843250 /nfs/dbraw/zinc/84/32/50/1210843250.db2.gz HAFMWGOHTWAFCY-NJAFHUGGSA-N 1 3 355.523 0.941 20 0 FCADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000887070349 1210845663 /nfs/dbraw/zinc/84/56/63/1210845663.db2.gz KPMWSSBDSTZERO-IPMKNSEASA-N 1 3 370.497 0.930 20 0 FCADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001275511675 1211252509 /nfs/dbraw/zinc/25/25/09/1211252509.db2.gz MJONCAQVNCKBLN-QZTJIDSGSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001275511675 1211252510 /nfs/dbraw/zinc/25/25/10/1211252510.db2.gz MJONCAQVNCKBLN-QZTJIDSGSA-N 1 3 366.550 0.972 20 0 FCADHO CN(C)CCN1CCC2(CC[NH+](CC(C)(C)N3CCOCC3)CC2)C1=O ZINC001275514843 1211253405 /nfs/dbraw/zinc/25/34/05/1211253405.db2.gz FFLYGDWYUJQSLZ-UHFFFAOYSA-N 1 3 366.550 0.973 20 0 FCADHO O=C1C[C@]2(CN1CCN1CCOCC1)CCCCN2CC1CC[NH2+]CC1 ZINC001275738091 1211279371 /nfs/dbraw/zinc/27/93/71/1211279371.db2.gz UOLRNLIZVOVQPQ-FQEVSTJZSA-N 1 3 364.534 0.775 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CC[N@H+](C[C@H]3CCCN(C)C3)C2)OCC1=O ZINC001275879223 1211306129 /nfs/dbraw/zinc/30/61/29/1211306129.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CC[N@@H+](C[C@H]3CCCN(C)C3)C2)OCC1=O ZINC001275879223 1211306131 /nfs/dbraw/zinc/30/61/31/1211306131.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CCN(C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001275879223 1211306132 /nfs/dbraw/zinc/30/61/32/1211306132.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 1 3 361.490 0.565 20 0 FCADHO Cn1cncc1CN1C[C@@]2(CCN(C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001275879223 1211306133 /nfs/dbraw/zinc/30/61/33/1211306133.db2.gz OWANIFIWHXOUQW-LPHOPBHVSA-N 1 3 361.490 0.565 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CC1 ZINC001095430219 1211334450 /nfs/dbraw/zinc/33/44/50/1211334450.db2.gz LATABYDZNAZUAW-GFEQUFNTSA-N 1 3 365.518 0.837 20 0 FCADHO CC(C)[C@H](C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)N(C)C ZINC001276048456 1211339494 /nfs/dbraw/zinc/33/94/94/1211339494.db2.gz CXJNIHJCEUVJAG-IAGOWNOFSA-N 1 3 364.534 0.974 20 0 FCADHO CNc1nccc(CN2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)n1 ZINC001276057587 1211343551 /nfs/dbraw/zinc/34/35/51/1211343551.db2.gz XLBOVEUYNQNCKD-GOSISDBHSA-N 1 3 360.462 0.421 20 0 FCADHO CN(C)C[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1=O ZINC000924584565 1211474781 /nfs/dbraw/zinc/47/47/81/1211474781.db2.gz GSGDYLHXIRWSMB-QGZVFWFLSA-N 1 3 360.458 0.625 20 0 FCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000924670728 1211476839 /nfs/dbraw/zinc/47/68/39/1211476839.db2.gz HZCJWGBFGMXBMM-DOTOQJQBSA-N 1 3 364.490 0.894 20 0 FCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926322562 1211530466 /nfs/dbraw/zinc/53/04/66/1211530466.db2.gz VMMGFMHOEYZAFI-OAHLLOKOSA-N 1 3 364.465 0.913 20 0 FCADHO COc1ccccc1[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1nnc(C)o1 ZINC001221337313 1225299988 /nfs/dbraw/zinc/29/99/88/1225299988.db2.gz PQRHKZISQLBYDP-CVEARBPZSA-N 1 3 359.430 0.919 20 0 FCADHO COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956684 1211614879 /nfs/dbraw/zinc/61/48/79/1211614879.db2.gz UUQZBSVKDZOZDO-VQHPVUNQSA-N 1 3 369.506 0.074 20 0 FCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)NC1 ZINC001221391122 1225305559 /nfs/dbraw/zinc/30/55/59/1225305559.db2.gz AVSSZSXJCGOCLB-PKOBYXMFSA-N 1 3 359.518 0.771 20 0 FCADHO CN1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC1 ZINC001221404901 1225307574 /nfs/dbraw/zinc/30/75/74/1225307574.db2.gz MEFOWNUBOBYXCL-UZLBHIALSA-N 1 3 358.486 0.285 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)ncn2C ZINC000931618447 1211764683 /nfs/dbraw/zinc/76/46/83/1211764683.db2.gz XXYHVEINRWPCDX-UHFFFAOYSA-N 1 3 374.489 0.141 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659864 1225423023 /nfs/dbraw/zinc/42/30/23/1225423023.db2.gz ZZTNYERUIWQNFL-KBAYOESNSA-N 1 3 362.474 0.448 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2(N(C)C)CCC2)C3)CC[N@@H+]1C ZINC001019070459 1214190267 /nfs/dbraw/zinc/19/02/67/1214190267.db2.gz OPAVSFUJOKWHFH-HZPDHXFCSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C2(N(C)C)CCC2)C3)CC[N@H+]1C ZINC001019070459 1214190270 /nfs/dbraw/zinc/19/02/70/1214190270.db2.gz OPAVSFUJOKWHFH-HZPDHXFCSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)CC[N@@H+]1C ZINC001019599191 1214274239 /nfs/dbraw/zinc/27/42/39/1214274239.db2.gz PUTBMPHLNMWODT-VNQPRFMTSA-N 1 3 363.462 0.026 20 0 FCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3c[nH]cn3)CCCO2)CC[N@H+]1C ZINC001019599191 1214274246 /nfs/dbraw/zinc/27/42/46/1214274246.db2.gz PUTBMPHLNMWODT-VNQPRFMTSA-N 1 3 363.462 0.026 20 0 FCADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871009 1225515507 /nfs/dbraw/zinc/51/55/07/1225515507.db2.gz RPGJZUINHQVJOY-GUDVDZBRSA-N 1 3 361.486 0.902 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)CC[N@@H+]1C ZINC001040705135 1214569577 /nfs/dbraw/zinc/56/95/77/1214569577.db2.gz DFMKVWVWUHCIAM-GVDBMIGSSA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN([C@@H]2CCNC2=O)CC3)CC[N@H+]1C ZINC001040705135 1214569584 /nfs/dbraw/zinc/56/95/84/1214569584.db2.gz DFMKVWVWUHCIAM-GVDBMIGSSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)CN2CCCC2)CC3)CC[N@@H+]1C ZINC000963923426 1214875468 /nfs/dbraw/zinc/87/54/68/1214875468.db2.gz CVSJNMDDYKHXOA-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)CN2CCCC2)CC3)CC[N@H+]1C ZINC000963923426 1214875470 /nfs/dbraw/zinc/87/54/70/1214875470.db2.gz CVSJNMDDYKHXOA-ZACQAIPSSA-N 1 3 362.518 0.920 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001052393783 1216546506 /nfs/dbraw/zinc/54/65/06/1216546506.db2.gz QMQAWAFPIHADNV-BZUAXINKSA-N 1 3 364.490 0.446 20 0 FCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001052393783 1216546513 /nfs/dbraw/zinc/54/65/13/1216546513.db2.gz QMQAWAFPIHADNV-BZUAXINKSA-N 1 3 364.490 0.446 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001057903393 1216602614 /nfs/dbraw/zinc/60/26/14/1216602614.db2.gz HUGHEDFHVQRRIC-DLBZAZTESA-N 1 3 368.522 0.138 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001057903393 1216602620 /nfs/dbraw/zinc/60/26/20/1216602620.db2.gz HUGHEDFHVQRRIC-DLBZAZTESA-N 1 3 368.522 0.138 20 0 FCADHO CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150519 1225683564 /nfs/dbraw/zinc/68/35/64/1225683564.db2.gz BCRQTXVJFXBUMC-PBIMCDDKSA-N 1 3 363.502 0.809 20 0 FCADHO CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001223150519 1225683568 /nfs/dbraw/zinc/68/35/68/1225683568.db2.gz BCRQTXVJFXBUMC-PBIMCDDKSA-N 1 3 363.502 0.809 20 0 FCADHO COC(=O)c1ccnc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1 ZINC001276922409 1225737998 /nfs/dbraw/zinc/73/79/98/1225737998.db2.gz BCVPSWZCLHNOCR-LJQANCHMSA-N 1 3 360.458 0.854 20 0 FCADHO C[C@H](O)C[NH+]1CCC2(CCC(=O)N(CCCN3CCN(C)CC3)C2)CC1 ZINC001276960097 1225770072 /nfs/dbraw/zinc/77/00/72/1225770072.db2.gz OQNGKMHEADMAOK-SFHVURJKSA-N 1 3 366.550 0.709 20 0 FCADHO C[C@H](CO)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276974056 1225780878 /nfs/dbraw/zinc/78/08/78/1225780878.db2.gz LZGCHTRCLKPMKS-ZWKOTPCHSA-N 1 3 366.550 0.471 20 0 FCADHO CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1O ZINC001049150392 1218389784 /nfs/dbraw/zinc/38/97/84/1218389784.db2.gz XHDPENHYONIAFG-YVSFHVDLSA-N 1 3 368.522 0.089 20 0 FCADHO CCCN(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1O ZINC001049150392 1218389790 /nfs/dbraw/zinc/38/97/90/1218389790.db2.gz XHDPENHYONIAFG-YVSFHVDLSA-N 1 3 368.522 0.089 20 0 FCADHO COC(=O)c1cn([C@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nn1 ZINC000903757606 1218516370 /nfs/dbraw/zinc/51/63/70/1218516370.db2.gz DVSUAIRUQHHLQW-LSDHHAIUSA-N 1 3 363.462 0.860 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001225846175 1225826307 /nfs/dbraw/zinc/82/63/07/1225826307.db2.gz DRXOEJOHUFOMMW-HMQMGEFJSA-N 1 3 365.522 0.854 20 0 FCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001225846175 1225826308 /nfs/dbraw/zinc/82/63/08/1225826308.db2.gz DRXOEJOHUFOMMW-HMQMGEFJSA-N 1 3 365.522 0.854 20 0 FCADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cn2cccn2)CC1 ZINC001097778897 1218845348 /nfs/dbraw/zinc/84/53/48/1218845348.db2.gz ABBWKILFCOVZKW-XDNAFOTISA-N 1 3 361.490 0.307 20 0 FCADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226765794 1225853979 /nfs/dbraw/zinc/85/39/79/1225853979.db2.gz FPUCFMBDNHPTJG-BFHYXJOUSA-N 1 3 367.494 0.332 20 0 FCADHO CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226793183 1225854470 /nfs/dbraw/zinc/85/44/70/1225854470.db2.gz ZRUWLIQXMQAXQT-IAGOWNOFSA-N 1 3 368.522 0.640 20 0 FCADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226790857 1225854684 /nfs/dbraw/zinc/85/46/84/1225854684.db2.gz GKZIZDZGVZBEQV-GVDBMIGSSA-N 1 3 371.522 0.512 20 0 FCADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226824451 1225855216 /nfs/dbraw/zinc/85/52/16/1225855216.db2.gz NSPSCTJGPQFLAK-HUUCEWRRSA-N 1 3 367.494 0.333 20 0 FCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1)C1CCC1 ZINC001226818295 1225855317 /nfs/dbraw/zinc/85/53/17/1225855317.db2.gz MFBFCKSERRVQII-RCCFBDPRSA-N 1 3 363.506 0.745 20 0 FCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000804053039 1219105741 /nfs/dbraw/zinc/10/57/41/1219105741.db2.gz IDFISEXNXPTOOC-IKGGRYGDSA-N 1 3 366.506 0.204 20 0 FCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804055942 1219109941 /nfs/dbraw/zinc/10/99/41/1219109941.db2.gz PTHGOYWYVLQNDW-IAGOWNOFSA-N 1 3 366.506 0.299 20 0 FCADHO C[C@H](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000804058932 1219112199 /nfs/dbraw/zinc/11/21/99/1219112199.db2.gz GYWYMNXUQWIJDH-IKGGRYGDSA-N 1 3 366.506 0.347 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804058224 1219113163 /nfs/dbraw/zinc/11/31/63/1219113163.db2.gz UFZSGOUXSCWJJU-DLBZAZTESA-N 1 3 368.522 0.546 20 0 FCADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804058233 1219113362 /nfs/dbraw/zinc/11/33/62/1219113362.db2.gz UFZSGOUXSCWJJU-SJORKVTESA-N 1 3 368.522 0.546 20 0 FCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000804062741 1219118342 /nfs/dbraw/zinc/11/83/42/1219118342.db2.gz KNKZNQQQCNCRAN-OAGGEKHMSA-N 1 3 368.522 0.448 20 0 FCADHO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060477 1219120843 /nfs/dbraw/zinc/12/08/43/1219120843.db2.gz YTQUGBNDKRLQSN-BBWFWOEESA-N 1 3 364.494 0.386 20 0 FCADHO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060477 1219120846 /nfs/dbraw/zinc/12/08/46/1219120846.db2.gz YTQUGBNDKRLQSN-BBWFWOEESA-N 1 3 364.494 0.386 20 0 FCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001070144117 1219224013 /nfs/dbraw/zinc/22/40/13/1219224013.db2.gz RYNSDEFZQZKWPW-HZPDHXFCSA-N 1 3 368.522 0.448 20 0 FCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070144117 1219224018 /nfs/dbraw/zinc/22/40/18/1219224018.db2.gz RYNSDEFZQZKWPW-HZPDHXFCSA-N 1 3 368.522 0.448 20 0 FCADHO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCCN2C)n1 ZINC001070354331 1219391066 /nfs/dbraw/zinc/39/10/66/1219391066.db2.gz CSZSJFLBMOSLJG-ZNMIVQPWSA-N 1 3 364.494 0.776 20 0 FCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070542948 1219460562 /nfs/dbraw/zinc/46/05/62/1219460562.db2.gz CBSUSQAFUROEBR-CGTJXYLNSA-N 1 3 363.506 0.559 20 0 FCADHO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070629704 1219494210 /nfs/dbraw/zinc/49/42/10/1219494210.db2.gz RWSUKENUPIUKBT-KZNAEPCWSA-N 1 3 368.485 0.994 20 0 FCADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688677 1219526052 /nfs/dbraw/zinc/52/60/52/1219526052.db2.gz RRSFFXVHBHYNMS-ARFHVFGLSA-N 1 3 363.506 0.417 20 0 FCADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071106616 1219608277 /nfs/dbraw/zinc/60/82/77/1219608277.db2.gz MBGWPAZSDDXCRT-RYRKJORJSA-N 1 3 366.506 0.332 20 0 FCADHO CC[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074603546 1219702155 /nfs/dbraw/zinc/70/21/55/1219702155.db2.gz NUKUSPAVVZWKRJ-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO CC[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001074603546 1219702157 /nfs/dbraw/zinc/70/21/57/1219702157.db2.gz NUKUSPAVVZWKRJ-OAGGEKHMSA-N 1 3 368.522 0.137 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)n(C)n1 ZINC001228355001 1225914621 /nfs/dbraw/zinc/91/46/21/1225914621.db2.gz GXZZGVBYSKGELG-HUUCEWRRSA-N 1 3 364.494 0.636 20 0 FCADHO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)Nc1ncccn1 ZINC001228365637 1225915127 /nfs/dbraw/zinc/91/51/27/1225915127.db2.gz GNVUEQFCWZYOPC-RRFJBIMHSA-N 1 3 362.478 0.772 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3cn(C)nn3)C2)C1 ZINC001099499622 1220015154 /nfs/dbraw/zinc/01/51/54/1220015154.db2.gz KUMFKXJCVMVDSW-BXWFABGCSA-N 1 3 360.506 0.875 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(CNCc3cn(C)nn3)C2)C1 ZINC001099499622 1220015160 /nfs/dbraw/zinc/01/51/60/1220015160.db2.gz KUMFKXJCVMVDSW-BXWFABGCSA-N 1 3 360.506 0.875 20 0 FCADHO Cn1cc(CNC[C@]23CCC[C@H]2CN(C(=O)C24CC[NH+](CC2)C4)C3)nn1 ZINC001099525711 1220024207 /nfs/dbraw/zinc/02/42/07/1220024207.db2.gz RWICDMIWAWHYJO-KXBFYZLASA-N 1 3 358.490 0.629 20 0 FCADHO CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344991 1220296659 /nfs/dbraw/zinc/29/66/59/1220296659.db2.gz OFHFLLCELASCCW-APWZRJJASA-N 1 3 367.538 0.816 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368740 1220305115 /nfs/dbraw/zinc/30/51/15/1220305115.db2.gz KNWIJYULBBTXKI-QINHECLXSA-N 1 3 364.534 0.975 20 0 FCADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368740 1220305120 /nfs/dbraw/zinc/30/51/20/1220305120.db2.gz KNWIJYULBBTXKI-QINHECLXSA-N 1 3 364.534 0.975 20 0 FCADHO Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)n1 ZINC001102047828 1220476763 /nfs/dbraw/zinc/47/67/63/1220476763.db2.gz UMPCJJGIDMOBGU-FSPWUOQZSA-N 1 3 362.522 0.919 20 0 FCADHO Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)n1 ZINC001102047828 1220476765 /nfs/dbraw/zinc/47/67/65/1220476765.db2.gz UMPCJJGIDMOBGU-FSPWUOQZSA-N 1 3 362.522 0.919 20 0 FCADHO Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)n1 ZINC001102047829 1220477320 /nfs/dbraw/zinc/47/73/20/1220477320.db2.gz UMPCJJGIDMOBGU-XWIAVFTESA-N 1 3 362.522 0.919 20 0 FCADHO Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)n1 ZINC001102047829 1220477323 /nfs/dbraw/zinc/47/73/23/1220477323.db2.gz UMPCJJGIDMOBGU-XWIAVFTESA-N 1 3 362.522 0.919 20 0 FCADHO C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046327 1220477594 /nfs/dbraw/zinc/47/75/94/1220477594.db2.gz YQXLCKQWYSUXDD-BZUAXINKSA-N 1 3 360.506 0.934 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046327 1220477596 /nfs/dbraw/zinc/47/75/96/1220477596.db2.gz YQXLCKQWYSUXDD-BZUAXINKSA-N 1 3 360.506 0.934 20 0 FCADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108281 1220499140 /nfs/dbraw/zinc/49/91/40/1220499140.db2.gz FCCGDXXESRYDJF-BZUAXINKSA-N 1 3 361.490 0.727 20 0 FCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185531 1220540713 /nfs/dbraw/zinc/54/07/13/1220540713.db2.gz GVNHEIDAUFDFMB-SZVBFZGTSA-N 1 3 362.518 0.777 20 0 FCADHO C[C@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486831 1220650336 /nfs/dbraw/zinc/65/03/36/1220650336.db2.gz WXKFVPCXVDQALO-BZUAXINKSA-N 1 3 368.522 0.258 20 0 FCADHO C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488610 1220651918 /nfs/dbraw/zinc/65/19/18/1220651918.db2.gz AYEIPVYTZVKPRW-NVXWUHKLSA-N 1 3 363.506 0.715 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525826 1220681550 /nfs/dbraw/zinc/68/15/50/1220681550.db2.gz WZGSOHMBIUBBLS-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001102525826 1220681553 /nfs/dbraw/zinc/68/15/53/1220681553.db2.gz WZGSOHMBIUBBLS-IXDOHACOSA-N 1 3 370.538 0.554 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102532648 1220684434 /nfs/dbraw/zinc/68/44/34/1220684434.db2.gz XSBMNJWOTKQTIH-FVQBIDKESA-N 1 3 360.462 0.202 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001102532648 1220684437 /nfs/dbraw/zinc/68/44/37/1220684437.db2.gz XSBMNJWOTKQTIH-FVQBIDKESA-N 1 3 360.462 0.202 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001102532622 1220684939 /nfs/dbraw/zinc/68/49/39/1220684939.db2.gz WWXALNOZECTALT-DJIMGWMZSA-N 1 3 366.506 0.978 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001102532622 1220684941 /nfs/dbraw/zinc/68/49/41/1220684941.db2.gz WWXALNOZECTALT-DJIMGWMZSA-N 1 3 366.506 0.978 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102531917 1220685107 /nfs/dbraw/zinc/68/51/07/1220685107.db2.gz LQMYJTHSDORSCF-VNQPRFMTSA-N 1 3 361.490 0.861 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102531917 1220685109 /nfs/dbraw/zinc/68/51/09/1220685109.db2.gz LQMYJTHSDORSCF-VNQPRFMTSA-N 1 3 361.490 0.861 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C ZINC001102532189 1220685149 /nfs/dbraw/zinc/68/51/49/1220685149.db2.gz ZAUGKSYJENEJDR-YUELXQCFSA-N 1 3 357.462 0.724 20 0 FCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C ZINC001102532189 1220685151 /nfs/dbraw/zinc/68/51/51/1220685151.db2.gz ZAUGKSYJENEJDR-YUELXQCFSA-N 1 3 357.462 0.724 20 0 FCADHO C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102994297 1220817597 /nfs/dbraw/zinc/81/75/97/1220817597.db2.gz WMBRLPXMFVQPTK-KYJSFNMBSA-N 1 3 360.506 0.731 20 0 FCADHO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089800 1220830930 /nfs/dbraw/zinc/83/09/30/1220830930.db2.gz BKNLWYXNCPCDRO-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089800 1220830931 /nfs/dbraw/zinc/83/09/31/1220830931.db2.gz BKNLWYXNCPCDRO-HZPDHXFCSA-N 1 3 365.522 0.570 20 0 FCADHO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089898 1220831306 /nfs/dbraw/zinc/83/13/06/1220831306.db2.gz FNYFVZPBYOOMEH-IIAWOOMASA-N 1 3 364.490 0.350 20 0 FCADHO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089898 1220831310 /nfs/dbraw/zinc/83/13/10/1220831310.db2.gz FNYFVZPBYOOMEH-IIAWOOMASA-N 1 3 364.490 0.350 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001103443802 1220884634 /nfs/dbraw/zinc/88/46/34/1220884634.db2.gz MUWTVOULPSHPDQ-OAGGEKHMSA-N 1 3 366.506 0.550 20 0 FCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)N(C)C ZINC001103443802 1220884636 /nfs/dbraw/zinc/88/46/36/1220884636.db2.gz MUWTVOULPSHPDQ-OAGGEKHMSA-N 1 3 366.506 0.550 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718755 1220950721 /nfs/dbraw/zinc/95/07/21/1220950721.db2.gz DDZHEDDZBJRCSB-ZACQAIPSSA-N 1 3 368.522 0.165 20 0 FCADHO CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718755 1220950724 /nfs/dbraw/zinc/95/07/24/1220950724.db2.gz DDZHEDDZBJRCSB-ZACQAIPSSA-N 1 3 368.522 0.165 20 0 FCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O)N(C)C ZINC001229746882 1226032530 /nfs/dbraw/zinc/03/25/30/1226032530.db2.gz RFKZGEMKXASSST-KFWWJZLASA-N 1 3 367.494 0.286 20 0 FCADHO Cn1cc([C@H](O)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC001116146798 1221338295 /nfs/dbraw/zinc/33/82/95/1221338295.db2.gz RDHQMEURSQZXBD-QGZVFWFLSA-N 1 3 364.494 0.311 20 0 FCADHO N[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCCCC1 ZINC001118205791 1221733046 /nfs/dbraw/zinc/73/30/46/1221733046.db2.gz QWPOTPSWIYAHMB-ZACQAIPSSA-N 1 3 363.506 0.641 20 0 FCADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001120676221 1222114799 /nfs/dbraw/zinc/11/47/99/1222114799.db2.gz VQOQWBHYUNYKHV-ZACQAIPSSA-N 1 3 365.522 0.761 20 0 FCADHO Cc1ccc(CN2C[C@H]3C[NH+](Cc4cn(C)c(=O)n(C)c4=O)C[C@@H]3C2)cc1 ZINC001231767500 1226124601 /nfs/dbraw/zinc/12/46/01/1226124601.db2.gz IQRSVLDFWNCYDW-ROUUACIJSA-N 1 3 368.481 0.956 20 0 FCADHO Cn1cc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231773177 1226128454 /nfs/dbraw/zinc/12/84/54/1226128454.db2.gz ZZAWPYUNIZIUIK-IAGOWNOFSA-N 1 3 354.454 0.648 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841170335 1222811974 /nfs/dbraw/zinc/81/19/74/1222811974.db2.gz UOIYESCEBGKOTI-MRXNPFEDSA-N 1 3 373.501 0.883 20 0 FCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000841201797 1222813347 /nfs/dbraw/zinc/81/33/47/1222813347.db2.gz QVNGKCDRLDBILZ-QGZVFWFLSA-N 1 3 359.474 0.621 20 0 FCADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CC4CC[NH+]2CC4)CC3)CC1 ZINC001142628901 1222845919 /nfs/dbraw/zinc/84/59/19/1222845919.db2.gz NBZUMHZVPVVXCW-SFHVURJKSA-N 1 3 372.517 0.457 20 0 FCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001157720869 1223080945 /nfs/dbraw/zinc/08/09/45/1223080945.db2.gz QRNIOXRPCCPWNF-LPHOPBHVSA-N 1 3 371.485 0.561 20 0 FCADHO COc1cccc([C@H](N)CC(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)c1 ZINC001158121471 1223089904 /nfs/dbraw/zinc/08/99/04/1223089904.db2.gz USIMRLMXPHKFAB-BEFAXECRSA-N 1 3 358.442 0.023 20 0 FCADHO COC(=O)c1ncnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c1OC ZINC001158591350 1223102805 /nfs/dbraw/zinc/10/28/05/1223102805.db2.gz PMTCHRPYBNXOMX-UHFFFAOYSA-N 1 3 363.462 0.924 20 0 FCADHO N[C@@H](C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)C1CC[NH2+]CC1 ZINC001158736806 1223106668 /nfs/dbraw/zinc/10/66/68/1223106668.db2.gz KCSMPSIAGQWXSX-FJIDUMEYSA-N 1 3 360.458 0.546 20 0 FCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159192475 1223120059 /nfs/dbraw/zinc/12/00/59/1223120059.db2.gz SVGRJKCSNZYEKZ-NVXWUHKLSA-N 1 3 359.474 0.077 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159225216 1223121120 /nfs/dbraw/zinc/12/11/20/1223121120.db2.gz PIFFXUMSDSWOEQ-IKGGRYGDSA-N 1 3 360.502 0.863 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159225216 1223121122 /nfs/dbraw/zinc/12/11/22/1223121122.db2.gz PIFFXUMSDSWOEQ-IKGGRYGDSA-N 1 3 360.502 0.863 20 0 FCADHO C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001159610837 1223131459 /nfs/dbraw/zinc/13/14/59/1223131459.db2.gz UYFSPCDXDIKZCQ-WBMJQRKESA-N 1 3 374.489 0.246 20 0 FCADHO O=C(C1CC2(C[NH2+]C2)C1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667769 1223132878 /nfs/dbraw/zinc/13/28/78/1223132878.db2.gz UXMGBROWSYVKOL-ZWKOTPCHSA-N 1 3 356.470 0.883 20 0 FCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159697500 1223134665 /nfs/dbraw/zinc/13/46/65/1223134665.db2.gz HRCHFKLDCXFTSK-YYIAUSFCSA-N 1 3 362.474 0.923 20 0 FCADHO N[C@@H](C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799685 1223136912 /nfs/dbraw/zinc/13/69/12/1223136912.db2.gz SWCRFFBKVDFBGY-RHSMWYFYSA-N 1 3 357.462 0.065 20 0 FCADHO N[C@H](C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1)C1CC[NH2+]CC1 ZINC001159799684 1223137192 /nfs/dbraw/zinc/13/71/92/1223137192.db2.gz SWCRFFBKVDFBGY-PBHICJAKSA-N 1 3 357.462 0.065 20 0 FCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905174 1223139148 /nfs/dbraw/zinc/13/91/48/1223139148.db2.gz KVCFGLJUWJGFPF-GJYPPUQNSA-N 1 3 358.442 0.029 20 0 FCADHO O=C(N1CCCn2cnc(Cn3cccn3)c2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159981451 1223141727 /nfs/dbraw/zinc/14/17/27/1223141727.db2.gz YSQWRDMHJSPUNV-DNVCBOLYSA-N 1 3 369.473 0.059 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001160007005 1223142266 /nfs/dbraw/zinc/14/22/66/1223142266.db2.gz AMAGXLRVPJRETR-OAHLLOKOSA-N 1 3 358.446 0.656 20 0 FCADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CCO2 ZINC001160177971 1223148436 /nfs/dbraw/zinc/14/84/36/1223148436.db2.gz DCPSLSRIQSXBGT-APWZRJJASA-N 1 3 364.490 0.101 20 0 FCADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CCO2 ZINC001160177971 1223148438 /nfs/dbraw/zinc/14/84/38/1223148438.db2.gz DCPSLSRIQSXBGT-APWZRJJASA-N 1 3 364.490 0.101 20 0 FCADHO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]21 ZINC001160219192 1223150224 /nfs/dbraw/zinc/15/02/24/1223150224.db2.gz VMVIPMVEMKRPHH-QAETUUGQSA-N 1 3 359.474 0.621 20 0 FCADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]2C1 ZINC001160294937 1223153737 /nfs/dbraw/zinc/15/37/37/1223153737.db2.gz ICJAIVJJKQEPPE-MWDXBVQZSA-N 1 3 368.522 0.576 20 0 FCADHO CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001160323654 1223154978 /nfs/dbraw/zinc/15/49/78/1223154978.db2.gz NIMFFJQHRSSCRY-LSDHHAIUSA-N 1 3 364.494 0.679 20 0 FCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(CCc2ccccn2)CC1 ZINC001160484066 1223162203 /nfs/dbraw/zinc/16/22/03/1223162203.db2.gz YAFGRQDQEDVLGI-SFHVURJKSA-N 1 3 357.502 0.643 20 0 FCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(CCc2ccccn2)CC1 ZINC001160484066 1223162209 /nfs/dbraw/zinc/16/22/09/1223162209.db2.gz YAFGRQDQEDVLGI-SFHVURJKSA-N 1 3 357.502 0.643 20 0 FCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160572953 1223165359 /nfs/dbraw/zinc/16/53/59/1223165359.db2.gz DVAZXASVCRPDGT-MRXNPFEDSA-N 1 3 354.454 0.736 20 0 FCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160572953 1223165363 /nfs/dbraw/zinc/16/53/63/1223165363.db2.gz DVAZXASVCRPDGT-MRXNPFEDSA-N 1 3 354.454 0.736 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160711707 1223169645 /nfs/dbraw/zinc/16/96/45/1223169645.db2.gz TZHMPRPAICRIGE-GOSISDBHSA-N 1 3 373.501 0.812 20 0 FCADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160711707 1223169650 /nfs/dbraw/zinc/16/96/50/1223169650.db2.gz TZHMPRPAICRIGE-GOSISDBHSA-N 1 3 373.501 0.812 20 0 FCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915637 1223180120 /nfs/dbraw/zinc/18/01/20/1223180120.db2.gz HNKQTNJRPPBKAE-OAHLLOKOSA-N 1 3 363.437 0.147 20 0 FCADHO COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161145732 1223187064 /nfs/dbraw/zinc/18/70/64/1223187064.db2.gz ITMRYEIXMFVZNR-DLBZAZTESA-N 1 3 362.474 0.329 20 0 FCADHO CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161329142 1223195733 /nfs/dbraw/zinc/19/57/33/1223195733.db2.gz VFZFLHMDJGVVRC-KRWDZBQOSA-N 1 3 356.470 0.559 20 0 FCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)CC2 ZINC001161480607 1223201003 /nfs/dbraw/zinc/20/10/03/1223201003.db2.gz PMBKVPWDXJFPFH-SNUQEOBHSA-N 1 3 369.462 0.189 20 0 FCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@](C)(N)Cc1ccc(F)cc1)CC2 ZINC001161479720 1223201027 /nfs/dbraw/zinc/20/10/27/1223201027.db2.gz LPQJRCLPFZLKGE-SNRMKQJTSA-N 1 3 363.433 0.839 20 0 FCADHO CCOC(=O)c1c(CN)ncn1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001162531727 1223217662 /nfs/dbraw/zinc/21/76/62/1223217662.db2.gz HQOXJNXRHDTNAE-UHFFFAOYSA-N 1 3 360.418 0.772 20 0 FCADHO C[C@H]1CCCN1C(=O)c1nn(-c2cc(C3C[NH2+]C3)ncn2)c2c1CNCC2 ZINC001165934757 1223262025 /nfs/dbraw/zinc/26/20/25/1223262025.db2.gz DMIVVAMKSOETFQ-LBPRGKRZSA-N 1 3 367.457 0.619 20 0 FCADHO CCc1nc(C)c(CN2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)[nH]1 ZINC001203238603 1223292819 /nfs/dbraw/zinc/29/28/19/1223292819.db2.gz OPLIAZTXOWWPMG-NVXWUHKLSA-N 1 3 363.506 0.891 20 0 FCADHO CCc1nc(C)c(CN2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)[nH]1 ZINC001203238603 1223292825 /nfs/dbraw/zinc/29/28/25/1223292825.db2.gz OPLIAZTXOWWPMG-NVXWUHKLSA-N 1 3 363.506 0.891 20 0 FCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208612185 1223563614 /nfs/dbraw/zinc/56/36/14/1223563614.db2.gz GJHHAKTZHWLIOK-RTBURBONSA-N 1 3 360.550 0.904 20 0 FCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(C[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208612185 1223563615 /nfs/dbraw/zinc/56/36/15/1223563615.db2.gz GJHHAKTZHWLIOK-RTBURBONSA-N 1 3 360.550 0.904 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NCC(C)(C)C ZINC001214648468 1223929154 /nfs/dbraw/zinc/92/91/54/1223929154.db2.gz PDRRKADMWHWZBR-HYVNUMGLSA-N 1 3 364.534 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214861405 1223949156 /nfs/dbraw/zinc/94/91/56/1223949156.db2.gz SVAREPXQSLVHAU-RHSMWYFYSA-N 1 3 366.506 0.202 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001215184395 1223980870 /nfs/dbraw/zinc/98/08/70/1223980870.db2.gz BRUKSHXXCPOLPE-LOFRJYDISA-N 1 3 363.502 0.855 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)NCC1CC1 ZINC001215224189 1223983724 /nfs/dbraw/zinc/98/37/24/1223983724.db2.gz MDBZFQKYELLBPY-BJZITVGISA-N 1 3 362.518 0.824 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215234400 1223984960 /nfs/dbraw/zinc/98/49/60/1223984960.db2.gz SVEGCRZSITVCTN-HZSPNIEDSA-N 1 3 367.494 0.271 20 0 FCADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453714 1224000003 /nfs/dbraw/zinc/00/00/03/1224000003.db2.gz OQUAJZNQPQOBDU-UKRRQHHQSA-N 1 3 367.494 0.001 20 0 FCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599070 1224008956 /nfs/dbraw/zinc/00/89/56/1224008956.db2.gz PQDQHXDDRSMVOL-IXDOHACOSA-N 1 3 368.522 0.448 20 0 FCADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215773930 1224016990 /nfs/dbraw/zinc/01/69/90/1224016990.db2.gz DUMHBBNSLCJEGE-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO COCCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216410173 1224048922 /nfs/dbraw/zinc/04/89/22/1224048922.db2.gz RZEYTXBFVXXCBN-BZUAXINKSA-N 1 3 366.506 0.060 20 0 FCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)N1CCO[C@@H](C)C1 ZINC001216469273 1224052647 /nfs/dbraw/zinc/05/26/47/1224052647.db2.gz ONCXAVKVZLPPQX-IXDOHACOSA-N 1 3 368.522 0.402 20 0 FCADHO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853781 1224079043 /nfs/dbraw/zinc/07/90/43/1224079043.db2.gz LYMJEEHENUCBBX-BRWVUGGUSA-N 1 3 370.538 0.694 20 0 FCADHO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851937 1224079332 /nfs/dbraw/zinc/07/93/32/1224079332.db2.gz LQRWOUVOQREALD-HUUCEWRRSA-N 1 3 369.510 0.245 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000985441552 1248923886 /nfs/dbraw/zinc/92/38/86/1248923886.db2.gz KEBBGXXEJJWDJD-NVXWUHKLSA-N 1 3 366.506 0.108 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000985441552 1248923894 /nfs/dbraw/zinc/92/38/94/1248923894.db2.gz KEBBGXXEJJWDJD-NVXWUHKLSA-N 1 3 366.506 0.108 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993493688 1249589024 /nfs/dbraw/zinc/58/90/24/1249589024.db2.gz ULQODYOYUCSWKE-KHYOSLBOSA-N 1 3 359.474 0.601 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)C1 ZINC000993493688 1249589038 /nfs/dbraw/zinc/58/90/38/1249589038.db2.gz ULQODYOYUCSWKE-KHYOSLBOSA-N 1 3 359.474 0.601 20 0 FCADHO NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)O1 ZINC000849089111 1245391788 /nfs/dbraw/zinc/39/17/88/1245391788.db2.gz UIXHASCSQOYKNX-IRXDYDNUSA-N 1 3 359.474 0.798 20 0 FCADHO CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000849108406 1245392717 /nfs/dbraw/zinc/39/27/17/1245392717.db2.gz RNFPAWXTXIUOOA-UHFFFAOYSA-N 1 3 368.526 0.747 20 0 FCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911515763 1245503241 /nfs/dbraw/zinc/50/32/41/1245503241.db2.gz GNHHPEQVSFKUJT-CYGHRXIMSA-N 1 3 356.470 0.813 20 0 FCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911517265 1245504380 /nfs/dbraw/zinc/50/43/80/1245504380.db2.gz QZIANCLOUSRWMT-VDHUWJSZSA-N 1 3 356.470 0.670 20 0 FCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)CC[C@H]21 ZINC000911517265 1245504386 /nfs/dbraw/zinc/50/43/86/1245504386.db2.gz QZIANCLOUSRWMT-VDHUWJSZSA-N 1 3 356.470 0.670 20 0 FCADHO C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911516671 1245505041 /nfs/dbraw/zinc/50/50/41/1245505041.db2.gz DAKNPXAITXXQFU-QZTJIDSGSA-N 1 3 374.485 0.297 20 0 FCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC000972739088 1248128211 /nfs/dbraw/zinc/12/82/11/1248128211.db2.gz NWXGCFMECZHJJW-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC000972739088 1248128214 /nfs/dbraw/zinc/12/82/14/1248128214.db2.gz NWXGCFMECZHJJW-LZLYRXPVSA-N 1 3 362.518 0.872 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC000976610125 1248292422 /nfs/dbraw/zinc/29/24/22/1248292422.db2.gz PMUCLLRJSMLTMP-DWMDIXPDSA-N 1 3 362.518 0.630 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]32)CC[N@H+]1C ZINC000976610125 1248292431 /nfs/dbraw/zinc/29/24/31/1248292431.db2.gz PMUCLLRJSMLTMP-DWMDIXPDSA-N 1 3 362.518 0.630 20 0 FCADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001328188876 1265499177 /nfs/dbraw/zinc/49/91/77/1265499177.db2.gz ADOCLKLSQDYCFY-HNNXBMFYSA-N 1 3 363.510 0.206 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC000996542866 1251376188 /nfs/dbraw/zinc/37/61/88/1251376188.db2.gz BOQJRBVRYRTUHF-YVSFHVDLSA-N 1 3 362.518 0.918 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC000996542866 1251376197 /nfs/dbraw/zinc/37/61/97/1251376197.db2.gz BOQJRBVRYRTUHF-YVSFHVDLSA-N 1 3 362.518 0.918 20 0 FCADHO CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC000998655427 1251942084 /nfs/dbraw/zinc/94/20/84/1251942084.db2.gz NBNJFSPHOGZQCT-QZWWFDLISA-N 1 3 360.502 0.671 20 0 FCADHO O=C(CN1CCCC1)N1CCN(C(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001329274521 1265723597 /nfs/dbraw/zinc/72/35/97/1265723597.db2.gz XZNGGHJKJPMMMS-UHFFFAOYSA-N 1 3 356.470 0.713 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@H]4CCNC4=O)C3)CC2)CC[N@@H+]1C ZINC001035187849 1254019122 /nfs/dbraw/zinc/01/91/22/1254019122.db2.gz IIHQVJNZRWYDCH-BBWFWOEESA-N 1 3 362.518 0.920 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN([C@H]4CCNC4=O)C3)CC2)CC[N@H+]1C ZINC001035187849 1254019128 /nfs/dbraw/zinc/01/91/28/1254019128.db2.gz IIHQVJNZRWYDCH-BBWFWOEESA-N 1 3 362.518 0.920 20 0 FCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001329678465 1265811594 /nfs/dbraw/zinc/81/15/94/1265811594.db2.gz GYTJSRMIYHKBHQ-XLNGHYISSA-N 1 3 366.506 0.317 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001065206701 1254488591 /nfs/dbraw/zinc/48/85/91/1254488591.db2.gz NEAAWVHTUUGHSH-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001065206701 1254488596 /nfs/dbraw/zinc/48/85/96/1254488596.db2.gz NEAAWVHTUUGHSH-BZUAXINKSA-N 1 3 366.506 0.155 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001078404202 1255408988 /nfs/dbraw/zinc/40/89/88/1255408988.db2.gz UZQMTFALGWZZKD-FGTMMUONSA-N 1 3 363.506 0.858 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001078404202 1255408993 /nfs/dbraw/zinc/40/89/93/1255408993.db2.gz UZQMTFALGWZZKD-FGTMMUONSA-N 1 3 363.506 0.858 20 0 FCADHO C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037634 1255720819 /nfs/dbraw/zinc/72/08/19/1255720819.db2.gz PNIZSBPIRRRKJZ-BRWVUGGUSA-N 1 3 362.518 0.968 20 0 FCADHO C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037634 1255720823 /nfs/dbraw/zinc/72/08/23/1255720823.db2.gz PNIZSBPIRRRKJZ-BRWVUGGUSA-N 1 3 362.518 0.968 20 0 FCADHO CCN(CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001080868835 1256063664 /nfs/dbraw/zinc/06/36/64/1256063664.db2.gz NXMOIRZHRCYRJU-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO CCN(CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001080868835 1256063671 /nfs/dbraw/zinc/06/36/71/1256063671.db2.gz NXMOIRZHRCYRJU-HZPDHXFCSA-N 1 3 368.522 0.138 20 0 FCADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ccccc1)C(N)=O ZINC001081213949 1256207919 /nfs/dbraw/zinc/20/79/19/1256207919.db2.gz XCBCKOQHENRFHD-BHYGNILZSA-N 1 3 356.470 0.540 20 0 FCADHO CO[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899928 1256442930 /nfs/dbraw/zinc/44/29/30/1256442930.db2.gz QHUKLQBZCHHLSM-QZTJIDSGSA-N 1 3 368.441 0.740 20 0 FCADHO [NH3+]CCc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001330527383 1266050347 /nfs/dbraw/zinc/05/03/47/1266050347.db2.gz FQONXKZXSLNKHN-GOSISDBHSA-N 1 3 374.485 0.174 20 0 FCADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515661 1256800471 /nfs/dbraw/zinc/80/04/71/1256800471.db2.gz UJVASELUXSZAPD-KBRIMQKVSA-N 1 3 360.506 0.885 20 0 FCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2nnn(C(C)(C)C)n2)C1)N(C)C ZINC001082589334 1256901841 /nfs/dbraw/zinc/90/18/41/1256901841.db2.gz WNDRRKWOLUPXHZ-RBSFLKMASA-N 1 3 365.526 0.747 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccccn1 ZINC001082653479 1256957875 /nfs/dbraw/zinc/95/78/75/1256957875.db2.gz MPTYNPWVAOWGEL-LOFRJYDISA-N 1 3 356.470 0.881 20 0 FCADHO C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1NCc1ccccn1 ZINC001082653479 1256957881 /nfs/dbraw/zinc/95/78/81/1256957881.db2.gz MPTYNPWVAOWGEL-LOFRJYDISA-N 1 3 356.470 0.881 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1=O ZINC001082742521 1257023924 /nfs/dbraw/zinc/02/39/24/1257023924.db2.gz IQCRECABPNUGQX-IIAWOOMASA-N 1 3 363.458 0.927 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1=O ZINC001082742521 1257023934 /nfs/dbraw/zinc/02/39/34/1257023934.db2.gz IQCRECABPNUGQX-IIAWOOMASA-N 1 3 363.458 0.927 20 0 FCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082743140 1257024400 /nfs/dbraw/zinc/02/44/00/1257024400.db2.gz KJEVGKRELWLGHU-HUUCEWRRSA-N 1 3 364.490 0.304 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1NCc1cnnn1C ZINC001082742768 1257024574 /nfs/dbraw/zinc/02/45/74/1257024574.db2.gz RAOYBIOHSDZNJU-DDUZABMNSA-N 1 3 366.485 0.964 20 0 FCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1NCc1cnnn1C ZINC001082742768 1257024581 /nfs/dbraw/zinc/02/45/81/1257024581.db2.gz RAOYBIOHSDZNJU-DDUZABMNSA-N 1 3 366.485 0.964 20 0 FCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082828815 1257086156 /nfs/dbraw/zinc/08/61/56/1257086156.db2.gz KCGNOSKQUNLAKE-HYVNUMGLSA-N 1 3 366.506 0.155 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861511 1257112836 /nfs/dbraw/zinc/11/28/36/1257112836.db2.gz DKMGGNVWPUBADC-IJEWVQPXSA-N 1 3 363.458 0.927 20 0 FCADHO COc1coc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1=O ZINC001082861511 1257112837 /nfs/dbraw/zinc/11/28/37/1257112837.db2.gz DKMGGNVWPUBADC-IJEWVQPXSA-N 1 3 363.458 0.927 20 0 FCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082943322 1257160706 /nfs/dbraw/zinc/16/07/06/1257160706.db2.gz DOLUEKWFOCFTFU-BZUAXINKSA-N 1 3 364.490 0.446 20 0 FCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001083783161 1257530064 /nfs/dbraw/zinc/53/00/64/1257530064.db2.gz CNBOJKLSGRFKOE-UHOSZYNNSA-N 1 3 361.486 0.602 20 0 FCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001331134544 1266154563 /nfs/dbraw/zinc/15/45/63/1266154563.db2.gz PZNLBIMSGLOTSS-ZWKOTPCHSA-N 1 3 358.486 0.808 20 0 FCADHO O=C(N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001084980780 1258493185 /nfs/dbraw/zinc/49/31/85/1258493185.db2.gz ZFJGRAWZTRNMSK-SJORKVTESA-N 1 3 358.490 0.829 20 0 FCADHO CN1CCCC[C@H]1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001521859260 1266195124 /nfs/dbraw/zinc/19/51/24/1266195124.db2.gz VYVRCAHYCYGEEK-INIZCTEOSA-N 1 3 353.511 0.762 20 0 FCADHO CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1=O ZINC001088172148 1258692644 /nfs/dbraw/zinc/69/26/44/1258692644.db2.gz YEXGEOMTYRIIIZ-IKGGRYGDSA-N 1 3 360.502 0.483 20 0 FCADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106663213 1258936087 /nfs/dbraw/zinc/93/60/87/1258936087.db2.gz WUUJQOKDEAINIP-BRWVUGGUSA-N 1 3 368.522 0.308 20 0 FCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC001106778250 1258961606 /nfs/dbraw/zinc/96/16/06/1258961606.db2.gz AQZQZDWYLQPQSP-UKRRQHHQSA-N 1 3 365.478 0.947 20 0 FCADHO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)on1 ZINC001106984255 1259011693 /nfs/dbraw/zinc/01/16/93/1259011693.db2.gz FLVVVQCLMIQGIM-UKRRQHHQSA-N 1 3 363.462 0.701 20 0 FCADHO Cn1nccc1CN1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609426 1259131879 /nfs/dbraw/zinc/13/18/79/1259131879.db2.gz RGBSBEZLCFUGFW-IEBWSBKVSA-N 1 3 363.506 0.859 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCOCCC(C)C)CC[N@@H+]1C ZINC001127706638 1259184732 /nfs/dbraw/zinc/18/47/32/1259184732.db2.gz POGRYZAIPVNESV-DLBZAZTESA-N 1 3 370.538 0.601 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCCOCCC(C)C)CC[N@H+]1C ZINC001127706638 1259184736 /nfs/dbraw/zinc/18/47/36/1259184736.db2.gz POGRYZAIPVNESV-DLBZAZTESA-N 1 3 370.538 0.601 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129205289 1259344340 /nfs/dbraw/zinc/34/43/40/1259344340.db2.gz SEKQJDLMUQUTHT-BBWFWOEESA-N 1 3 364.494 0.531 20 0 FCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204801 1259344816 /nfs/dbraw/zinc/34/48/16/1259344816.db2.gz KEQSTPFPDNEJDM-ZACQAIPSSA-N 1 3 364.494 0.388 20 0 FCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129228479 1259351332 /nfs/dbraw/zinc/35/13/32/1259351332.db2.gz URMLKWDUSCAYCF-ZACQAIPSSA-N 1 3 364.494 0.531 20 0 FCADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536228 1259534770 /nfs/dbraw/zinc/53/47/70/1259534770.db2.gz NHSYSPAZZJLXQB-RBSFLKMASA-N 1 3 367.494 0.143 20 0 FCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cn(-c4cnccn4)cn3)C[C@H]1C2 ZINC001236036223 1259587713 /nfs/dbraw/zinc/58/77/13/1259587713.db2.gz UAAHZQRXYLPANO-DEWZPKMOSA-N 1 3 368.441 0.493 20 0 FCADHO CCC(CC)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NC ZINC001246516792 1259654790 /nfs/dbraw/zinc/65/47/90/1259654790.db2.gz ZYUBEXFXTWRJIL-GJZGRUSLSA-N 1 3 370.542 0.673 20 0 FCADHO COc1ccc(CN2CC[C@H]([N@@H+]3C[C@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246585104 1259657273 /nfs/dbraw/zinc/65/72/73/1259657273.db2.gz OGWVKUMTICDRSA-ZOBUZTSGSA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@H]([N@H+]3C[C@H](O)[C@@H](CN)C3)CC2=O)c(OC)c1 ZINC001246585104 1259657280 /nfs/dbraw/zinc/65/72/80/1259657280.db2.gz OGWVKUMTICDRSA-ZOBUZTSGSA-N 1 3 363.458 0.446 20 0 FCADHO COc1ccc(CN2CC[C@H](N3C[C@H](O)[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001246585104 1259657285 /nfs/dbraw/zinc/65/72/85/1259657285.db2.gz OGWVKUMTICDRSA-ZOBUZTSGSA-N 1 3 363.458 0.446 20 0 FCADHO O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711067 1259666795 /nfs/dbraw/zinc/66/67/95/1259666795.db2.gz YZCCVLXFNAJOIW-WRWLIDTKSA-N 1 3 374.485 0.471 20 0 FCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740571 1259674054 /nfs/dbraw/zinc/67/40/54/1259674054.db2.gz MTPOFOZSARAIMT-QRIFCXAISA-N 1 3 359.474 0.684 20 0 FCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccnnc4)[C@H]3C2)CCN1 ZINC001246740571 1259674058 /nfs/dbraw/zinc/67/40/58/1259674058.db2.gz MTPOFOZSARAIMT-QRIFCXAISA-N 1 3 359.474 0.684 20 0 FCADHO c1ncn2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H](COc1ccccn1)C2 ZINC001246763384 1259683721 /nfs/dbraw/zinc/68/37/21/1259683721.db2.gz BWEGRHNYBQFKIJ-DLBZAZTESA-N 1 3 368.485 0.883 20 0 FCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(NC(N)=O)CC3)CC2)CC1 ZINC001252843332 1259809204 /nfs/dbraw/zinc/80/92/04/1259809204.db2.gz QJSHFMZXPKPDRP-UHFFFAOYSA-N 1 3 366.510 0.387 20 0 FCADHO O=C1C=CC(=O)N1CCOCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949477 1259812998 /nfs/dbraw/zinc/81/29/98/1259812998.db2.gz NXPNIBNCPBNLTC-HXUWFJFHSA-N 1 3 373.453 0.155 20 0 FCADHO O=C1C=CC(=O)N1CCOCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949477 1259812999 /nfs/dbraw/zinc/81/29/99/1259812999.db2.gz NXPNIBNCPBNLTC-HXUWFJFHSA-N 1 3 373.453 0.155 20 0 FCADHO Cn1cc(C2=NO[C@@H](C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cn1 ZINC001335741062 1259817002 /nfs/dbraw/zinc/81/70/02/1259817002.db2.gz FHGMSWXIYJOAHM-GOSISDBHSA-N 1 3 374.489 0.588 20 0 FCADHO CC[NH+](CC)C[C@H](O)CN1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253182389 1259827789 /nfs/dbraw/zinc/82/77/89/1259827789.db2.gz ORDVMYXONSZZGQ-SFHVURJKSA-N 1 3 364.534 0.513 20 0 FCADHO CN1CCN(C2CN(CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001254041504 1259869665 /nfs/dbraw/zinc/86/96/65/1259869665.db2.gz LIBIMWAHPVTZOW-UHFFFAOYSA-N 1 3 358.530 0.945 20 0 FCADHO CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@H]2CCN(C)C2)ncn1 ZINC001255433369 1259912783 /nfs/dbraw/zinc/91/27/83/1259912783.db2.gz IDCCWHMCZBNSIJ-HNNXBMFYSA-N 1 3 370.505 0.596 20 0 FCADHO CC(C)N1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1 ZINC001257217302 1260002657 /nfs/dbraw/zinc/00/26/57/1260002657.db2.gz LXQFSPLXYQPZEH-UAGQMJEPSA-N 1 3 359.536 0.888 20 0 FCADHO O=C(CCCCC(=O)N[C@H]1C[NH+]2CCC1CC2)N[C@H]1CN2CCC1CC2 ZINC001336614634 1260184655 /nfs/dbraw/zinc/18/46/55/1260184655.db2.gz IUIYJSWHKHTKSK-ROUUACIJSA-N 1 3 362.518 0.968 20 0 FCADHO CN1CC[NH2+]C[C@@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001263101267 1260342377 /nfs/dbraw/zinc/34/23/77/1260342377.db2.gz NOFSCDKZURMYSY-GOSISDBHSA-N 1 3 364.465 0.689 20 0 FCADHO CN1CCN(CC(=O)N2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)CC1 ZINC001272867136 1260520198 /nfs/dbraw/zinc/52/01/98/1260520198.db2.gz CSTXFQSGPPGJSA-FQEVSTJZSA-N 1 3 365.566 0.500 20 0 FCADHO C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3CCN3C3CCCCC3)C[C@H](C1)O2 ZINC001273140317 1260606918 /nfs/dbraw/zinc/60/69/18/1260606918.db2.gz GOEFGHHEEXLURX-CEXWTWQISA-N 1 3 364.534 0.867 20 0 FCADHO COCCn1cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cn1 ZINC001278712948 1260720261 /nfs/dbraw/zinc/72/02/61/1260720261.db2.gz RVIMJKXYWWKTMX-HDICACEKSA-N 1 3 363.506 0.762 20 0 FCADHO COCCn1cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cn1 ZINC001278712948 1260720264 /nfs/dbraw/zinc/72/02/64/1260720264.db2.gz RVIMJKXYWWKTMX-HDICACEKSA-N 1 3 363.506 0.762 20 0 FCADHO O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2CC[C@@H](C1)N2CCN1CCOCC1 ZINC001279246763 1260810991 /nfs/dbraw/zinc/81/09/91/1260810991.db2.gz NPXGCZJAQKVPSC-OTWHNJEPSA-N 1 3 362.518 0.478 20 0 FCADHO O=C1NC2(CCN(Cc3cc[nH]c3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279309693 1260834967 /nfs/dbraw/zinc/83/49/67/1260834967.db2.gz JFOGWCWSXHAZAK-IRXDYDNUSA-N 1 3 354.458 0.950 20 0 FCADHO O=C1NC2(CCN(Cc3cc[nH]c3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279309693 1260834974 /nfs/dbraw/zinc/83/49/74/1260834974.db2.gz JFOGWCWSXHAZAK-IRXDYDNUSA-N 1 3 354.458 0.950 20 0 FCADHO CN1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)[C@H]2CC3CCN2CC3)CC1 ZINC001280070667 1260989706 /nfs/dbraw/zinc/98/97/06/1260989706.db2.gz WXFJKKWFBYSKFD-QRVBRYPASA-N 1 3 362.518 0.477 20 0 FCADHO CN1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)[C@H]2CC3CCN2CC3)CC1 ZINC001280070667 1260989713 /nfs/dbraw/zinc/98/97/13/1260989713.db2.gz WXFJKKWFBYSKFD-QRVBRYPASA-N 1 3 362.518 0.477 20 0 FCADHO C[NH+]1CCC(N2C[C@@H]3[C@H](C2)OCCN3C(=O)[C@H]2CC3CCN2CC3)CC1 ZINC001280070667 1260989722 /nfs/dbraw/zinc/98/97/22/1260989722.db2.gz WXFJKKWFBYSKFD-QRVBRYPASA-N 1 3 362.518 0.477 20 0 FCADHO COCCOCN1C[C@@H]2C(=O)NC3(CCN(CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280221689 1261038974 /nfs/dbraw/zinc/03/89/74/1261038974.db2.gz ZWLIZJOMJGZUCD-IRXDYDNUSA-N 1 3 368.522 0.071 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001345100684 1261634959 /nfs/dbraw/zinc/63/49/59/1261634959.db2.gz VCMJJPLAUHWATJ-MRXNPFEDSA-N 1 3 358.442 0.804 20 0 FCADHO O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001345100684 1261634967 /nfs/dbraw/zinc/63/49/67/1261634967.db2.gz VCMJJPLAUHWATJ-MRXNPFEDSA-N 1 3 358.442 0.804 20 0 FCADHO CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001289499438 1262224698 /nfs/dbraw/zinc/22/46/98/1262224698.db2.gz IAZCBYRDSNBITC-BZUAXINKSA-N 1 3 368.522 0.399 20 0 FCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001289719740 1262322446 /nfs/dbraw/zinc/32/24/46/1262322446.db2.gz CWFMFSGSKZARLQ-IKGGRYGDSA-N 1 3 368.522 0.279 20 0 FCADHO CC(C)[C@H]1OCCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323511121 1264445659 /nfs/dbraw/zinc/44/56/59/1264445659.db2.gz JSXYMOARPUEFLB-DLBZAZTESA-N 1 3 370.538 0.506 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001323615679 1264468798 /nfs/dbraw/zinc/46/87/98/1264468798.db2.gz KNYPVRXXYSZATH-IPMKNSEASA-N 1 3 372.513 0.783 20 0 FCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001323954207 1264548112 /nfs/dbraw/zinc/54/81/12/1264548112.db2.gz XVQAPFPLJARUSS-DLBZAZTESA-N 1 3 364.465 0.750 20 0 FCADHO COCCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001511863367 1264597218 /nfs/dbraw/zinc/59/72/18/1264597218.db2.gz ITURIJDYYKHINM-HUUCEWRRSA-N 1 3 365.478 0.192 20 0 FCADHO COCCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001511863367 1264597220 /nfs/dbraw/zinc/59/72/20/1264597220.db2.gz ITURIJDYYKHINM-HUUCEWRRSA-N 1 3 365.478 0.192 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]21 ZINC001512855494 1264697429 /nfs/dbraw/zinc/69/74/29/1264697429.db2.gz TWDHFTMAJMLNAS-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]21 ZINC001512855494 1264697432 /nfs/dbraw/zinc/69/74/32/1264697432.db2.gz TWDHFTMAJMLNAS-IXDOHACOSA-N 1 3 350.507 0.729 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580406861 1278244599 /nfs/dbraw/zinc/24/45/99/1278244599.db2.gz AVXJFUZFRKMAPA-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001580406861 1278244601 /nfs/dbraw/zinc/24/46/01/1278244601.db2.gz AVXJFUZFRKMAPA-CYBMUJFWSA-N 1 3 357.462 0.803 20 0 FCADHO O=C1CC2(CN1)CCN(C/C=C/C[NH+]1CCC3(CNC(=O)C3)CC1)CC2 ZINC001327642431 1265383257 /nfs/dbraw/zinc/38/32/57/1265383257.db2.gz IPVYZFOCUVHRHA-OWOJBTEDSA-N 1 3 360.502 0.747 20 0 FCADHO Cn1cc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC001548938264 1267773882 /nfs/dbraw/zinc/77/38/82/1267773882.db2.gz KUXMYSMAUGWSEV-ZFWWWQNUSA-N 1 3 372.477 0.415 20 0 FCADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)CCN2C1=O ZINC001549215380 1267858940 /nfs/dbraw/zinc/85/89/40/1267858940.db2.gz QTQIAFXXOVLZDZ-VQHPVUNQSA-N 1 3 357.458 0.086 20 0 FCADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3[C@@H](O)C(C)(C)[C@H]32)C1 ZINC001549897048 1268014748 /nfs/dbraw/zinc/01/47/48/1268014748.db2.gz BYRXHTNYOLJJPJ-KCITZHQASA-N 1 3 367.534 0.941 20 0 FCADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]3[C@@H](O)C(C)(C)[C@H]32)C1 ZINC001549897048 1268014758 /nfs/dbraw/zinc/01/47/58/1268014758.db2.gz BYRXHTNYOLJJPJ-KCITZHQASA-N 1 3 367.534 0.941 20 0 FCADHO Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC001550005404 1268046231 /nfs/dbraw/zinc/04/62/31/1268046231.db2.gz SGTSRMUYVASCDD-SQNIBIBYSA-N 1 3 374.533 0.865 20 0 FCADHO CCN1CCN(CCC(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001550113309 1268076882 /nfs/dbraw/zinc/07/68/82/1268076882.db2.gz QVRDEXJDXXGSKH-RTBURBONSA-N 1 3 360.502 0.976 20 0 FCADHO CN1[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)C[C@H]2C[C@H]1CO ZINC001550745791 1268160388 /nfs/dbraw/zinc/16/03/88/1268160388.db2.gz UKSMAAIMJOBTIL-SPOLIRPYSA-N 1 3 358.486 0.839 20 0 FCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)C[C@@H]2[NH3+])c1 ZINC001550757313 1268163298 /nfs/dbraw/zinc/16/32/98/1268163298.db2.gz OBSABRILQINBQQ-BBWFWOEESA-N 1 3 354.458 0.571 20 0 FCADHO COc1cccc(NC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913857 1268184035 /nfs/dbraw/zinc/18/40/35/1268184035.db2.gz QAYVDTJMBKVDRM-QFBILLFUSA-N 1 3 360.458 0.870 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC001550914806 1268184260 /nfs/dbraw/zinc/18/42/60/1268184260.db2.gz ZQWHAALTBRSTIS-VQIMIIECSA-N 1 3 362.449 0.678 20 0 FCADHO Cc1cccc(CNC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)c1 ZINC001550913863 1268184547 /nfs/dbraw/zinc/18/45/47/1268184547.db2.gz QCDFEIWXPLVXLK-YLJYHZDGSA-N 1 3 358.486 0.848 20 0 FCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)Nc1cccnc1Cl ZINC001550911814 1268184647 /nfs/dbraw/zinc/18/46/47/1268184647.db2.gz DQNBUTGAQPSZLA-MLGOLLRUSA-N 1 3 365.865 0.910 20 0 FCADHO C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001551099961 1268204541 /nfs/dbraw/zinc/20/45/41/1268204541.db2.gz KLTNRBPSSPTJSJ-RDGPPVDQSA-N 1 3 365.518 0.791 20 0 FCADHO CC1([NH+]2CCOCC2)CCC(NC(=O)N[C@H]2CCCN(CCO)C2)CC1 ZINC001551279127 1268221483 /nfs/dbraw/zinc/22/14/83/1268221483.db2.gz XWIOBKUDGYUQIC-HFCFLWKCSA-N 1 3 368.522 0.776 20 0 FCADHO CC1(N2CCOCC2)CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001551498021 1268262226 /nfs/dbraw/zinc/26/22/26/1268262226.db2.gz OGZUNIWVNGEZLN-UHFFFAOYSA-N 1 3 354.495 0.827 20 0 FCADHO O=C(N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001552224106 1268415906 /nfs/dbraw/zinc/41/59/06/1268415906.db2.gz TYBWCRACPFKBGF-XMTFNYHQSA-N 1 3 366.506 0.527 20 0 FCADHO O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001552224106 1268415907 /nfs/dbraw/zinc/41/59/07/1268415907.db2.gz TYBWCRACPFKBGF-XMTFNYHQSA-N 1 3 366.506 0.527 20 0 FCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[C@@H](C)O1 ZINC001552283649 1268432071 /nfs/dbraw/zinc/43/20/71/1268432071.db2.gz SYIRBWDCJZXJSZ-RRIFGTCXSA-N 1 3 351.491 0.570 20 0 FCADHO Cc1c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552434309 1268461813 /nfs/dbraw/zinc/46/18/13/1268461813.db2.gz IREWHUJSJPDYFA-HZPDHXFCSA-N 1 3 362.478 0.494 20 0 FCADHO CN1CCN([C@H]2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)CC1 ZINC001552793664 1268547230 /nfs/dbraw/zinc/54/72/30/1268547230.db2.gz DMGAZSVVBKHGRF-SFHVURJKSA-N 1 3 366.554 0.044 20 0 FCADHO CN(C)C[C@H]1CN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC001552839458 1268558612 /nfs/dbraw/zinc/55/86/12/1268558612.db2.gz JEEQJWYWXTXBDK-LBPRGKRZSA-N 1 3 372.420 0.543 20 0 FCADHO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC001556855030 1268899500 /nfs/dbraw/zinc/89/95/00/1268899500.db2.gz NZJUYZLSBGKYLC-HUUCEWRRSA-N 1 3 372.510 0.404 20 0 FCADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC001341716997 1269167108 /nfs/dbraw/zinc/16/71/08/1269167108.db2.gz MCTGRFKQLUBBAV-KDOFPFPSSA-N 1 3 362.474 0.832 20 0 FCADHO COc1cccc2c1CC[C@@]2(N)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001341732103 1269175227 /nfs/dbraw/zinc/17/52/27/1269175227.db2.gz IDJQNFOPTALPEZ-FQEVSTJZSA-N 1 3 360.502 0.939 20 0 FCADHO Cc1ncc(CNCC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001570414342 1269880570 /nfs/dbraw/zinc/88/05/70/1269880570.db2.gz SIFRYQVUKGCLSY-RHSMWYFYSA-N 1 3 361.490 0.568 20 0 FCADHO Cc1ncc(CNCC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001570414342 1269880587 /nfs/dbraw/zinc/88/05/87/1269880587.db2.gz SIFRYQVUKGCLSY-RHSMWYFYSA-N 1 3 361.490 0.568 20 0 FCADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1)N(C)C ZINC001572954762 1270400880 /nfs/dbraw/zinc/40/08/80/1270400880.db2.gz YXPHJZQFEXCLMQ-IXDOHACOSA-N 1 3 368.522 0.545 20 0 FCADHO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580617778 1278571781 /nfs/dbraw/zinc/57/17/81/1278571781.db2.gz KAFHGYPWZQLEAD-OWCLPIDISA-N 1 3 353.463 0.877 20 0 FCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574606408 1271413052 /nfs/dbraw/zinc/41/30/52/1271413052.db2.gz HQETUSCUTJNGOU-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574606408 1271413055 /nfs/dbraw/zinc/41/30/55/1271413055.db2.gz HQETUSCUTJNGOU-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@H](CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574655142 1271454723 /nfs/dbraw/zinc/45/47/23/1271454723.db2.gz XSIOCHIZLHXLSK-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574655142 1271454726 /nfs/dbraw/zinc/45/47/26/1271454726.db2.gz XSIOCHIZLHXLSK-CQSZACIVSA-N 1 3 369.473 0.947 20 0 FCADHO C[C@H](C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786632 1271521321 /nfs/dbraw/zinc/52/13/21/1271521321.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574786632 1271521326 /nfs/dbraw/zinc/52/13/26/1271521326.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574786632 1271521334 /nfs/dbraw/zinc/52/13/34/1271521334.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](C[NH+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574786632 1271521338 /nfs/dbraw/zinc/52/13/38/1271521338.db2.gz WCAGBUHGOOAXFB-HIFRSBDPSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2c[nH]nn2)C1 ZINC001575565851 1272201218 /nfs/dbraw/zinc/20/12/18/1272201218.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2c[nH]nn2)C1 ZINC001575565851 1272201223 /nfs/dbraw/zinc/20/12/23/1272201223.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@H+](C)CCc2cn[nH]n2)C1 ZINC001575565851 1272201230 /nfs/dbraw/zinc/20/12/30/1272201230.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H](C[N@@H+](C)CCc2cn[nH]n2)C1 ZINC001575565851 1272201235 /nfs/dbraw/zinc/20/12/35/1272201235.db2.gz DYZUCLYEYKXSFB-HZPDHXFCSA-N 1 3 364.494 0.096 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576247348 1273026425 /nfs/dbraw/zinc/02/64/25/1273026425.db2.gz OJJROHAVZBHDJQ-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576247348 1273026431 /nfs/dbraw/zinc/02/64/31/1273026431.db2.gz OJJROHAVZBHDJQ-CZUORRHYSA-N 1 3 357.462 0.755 20 0 FCADHO CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576480503 1273320280 /nfs/dbraw/zinc/32/02/80/1273320280.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 1 3 352.483 0.022 20 0 FCADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(CCc2c[nH]nn2)C1 ZINC001576480503 1273320285 /nfs/dbraw/zinc/32/02/85/1273320285.db2.gz UVAUEJRBFAIVBN-KRWDZBQOSA-N 1 3 352.483 0.022 20 0 FCADHO C[NH+](C)CCn1cc(C(=O)N2CCCCC[C@H](NCc3cn[nH]n3)C2)cn1 ZINC001576749276 1273621106 /nfs/dbraw/zinc/62/11/06/1273621106.db2.gz CNADIMASSSRQIS-INIZCTEOSA-N 1 3 374.493 0.737 20 0 FCADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001576767258 1273645104 /nfs/dbraw/zinc/64/51/04/1273645104.db2.gz LUKJVBNCUQAWQN-CZUORRHYSA-N 1 3 374.493 0.885 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794616 1273698337 /nfs/dbraw/zinc/69/83/37/1273698337.db2.gz FCKFYVMWBRUPHP-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576794616 1273698341 /nfs/dbraw/zinc/69/83/41/1273698341.db2.gz FCKFYVMWBRUPHP-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794616 1273698347 /nfs/dbraw/zinc/69/83/47/1273698347.db2.gz FCKFYVMWBRUPHP-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576794616 1273698355 /nfs/dbraw/zinc/69/83/55/1273698355.db2.gz FCKFYVMWBRUPHP-CVEARBPZSA-N 1 3 357.462 0.803 20 0 FCADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850004 1273800327 /nfs/dbraw/zinc/80/03/27/1273800327.db2.gz NZJPLQXRMWJPLR-ZNMIVQPWSA-N 1 3 361.494 0.464 20 0 FCADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCN2)n1CC(=O)N(C)C ZINC001576850004 1273800337 /nfs/dbraw/zinc/80/03/37/1273800337.db2.gz NZJPLQXRMWJPLR-ZNMIVQPWSA-N 1 3 361.494 0.464 20 0 FCADHO CC[C@@H]([NH3+])Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577139189 1274190174 /nfs/dbraw/zinc/19/01/74/1274190174.db2.gz SOWWXAQOFRAYJE-ZIAGYGMSSA-N 1 3 363.510 0.887 20 0 FCADHO CCN1CCN(CCCn2c(C3CC3)nnc2N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC001577778262 1274872017 /nfs/dbraw/zinc/87/20/17/1274872017.db2.gz OVQZVXTVZVVTDQ-DOTOQJQBSA-N 1 3 361.538 0.967 20 0 FCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577852392 1274995988 /nfs/dbraw/zinc/99/59/88/1274995988.db2.gz QCYDNGUSMMBUQH-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001577852392 1274995996 /nfs/dbraw/zinc/99/59/96/1274995996.db2.gz QCYDNGUSMMBUQH-INIZCTEOSA-N 1 3 357.462 0.899 20 0 FCADHO CC[NH+]1CCC(C[NH+]2CCN(c3c(-c4nnn[n-]4)c(C)nn3C)CC2)CC1 ZINC001578215337 1275509227 /nfs/dbraw/zinc/50/92/27/1275509227.db2.gz LWMRISIMFUCIED-UHFFFAOYSA-N 1 3 373.509 0.763 20 0 FCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001578397762 1275772081 /nfs/dbraw/zinc/77/20/81/1275772081.db2.gz XFHKOIKWBWEPNC-JKSUJKDBSA-N 1 3 353.511 0.618 20 0 FCADHO C[NH2+][C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN(C)CCOC)C1 ZINC001578601276 1276032729 /nfs/dbraw/zinc/03/27/29/1276032729.db2.gz AYBXXBVHRFRJLZ-CVEARBPZSA-N 1 3 366.510 0.548 20 0 FCADHO COC(=O)C1=C(C)O[C@H](CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC001578784195 1276265824 /nfs/dbraw/zinc/26/58/24/1276265824.db2.gz RYSUIHXIQDNEKH-OSRDXIQISA-N 1 3 351.403 0.089 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001578987966 1276559699 /nfs/dbraw/zinc/55/96/99/1276559699.db2.gz JNOAMMZYSSICPY-KOMQPUFPSA-N 1 3 357.462 0.803 20 0 FCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578987966 1276559709 /nfs/dbraw/zinc/55/97/09/1276559709.db2.gz JNOAMMZYSSICPY-KOMQPUFPSA-N 1 3 357.462 0.803 20 0 FCADHO C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nnn[n-]1 ZINC001579166970 1276917855 /nfs/dbraw/zinc/91/78/55/1276917855.db2.gz MOBKKKNRSBFBJC-UHFFFAOYSA-N 1 3 355.446 0.511 20 0 FCADHO C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1-c1nnn[n-]1 ZINC001579166970 1276917860 /nfs/dbraw/zinc/91/78/60/1276917860.db2.gz MOBKKKNRSBFBJC-UHFFFAOYSA-N 1 3 355.446 0.511 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579323104 1277140709 /nfs/dbraw/zinc/14/07/09/1277140709.db2.gz PPVAWOOUGATEDT-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001579323104 1277140712 /nfs/dbraw/zinc/14/07/12/1277140712.db2.gz PPVAWOOUGATEDT-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579323104 1277140714 /nfs/dbraw/zinc/14/07/14/1277140714.db2.gz PPVAWOOUGATEDT-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001579323104 1277140716 /nfs/dbraw/zinc/14/07/16/1277140716.db2.gz PPVAWOOUGATEDT-KLAILNCOSA-N 1 3 369.473 0.897 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325690 1277145575 /nfs/dbraw/zinc/14/55/75/1277145575.db2.gz FGWOPKCOLTVPIQ-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001579325690 1277145579 /nfs/dbraw/zinc/14/55/79/1277145579.db2.gz FGWOPKCOLTVPIQ-IAGOWNOFSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326485 1277149729 /nfs/dbraw/zinc/14/97/29/1277149729.db2.gz JYFQMSSUVNBOSH-LSDHHAIUSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579326485 1277149730 /nfs/dbraw/zinc/14/97/30/1277149730.db2.gz JYFQMSSUVNBOSH-LSDHHAIUSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326485 1277149731 /nfs/dbraw/zinc/14/97/31/1277149731.db2.gz JYFQMSSUVNBOSH-LSDHHAIUSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579326485 1277149732 /nfs/dbraw/zinc/14/97/32/1277149732.db2.gz JYFQMSSUVNBOSH-LSDHHAIUSA-N 1 3 355.446 0.509 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335268 1277176378 /nfs/dbraw/zinc/17/63/78/1277176378.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335268 1277176379 /nfs/dbraw/zinc/17/63/79/1277176379.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335268 1277176385 /nfs/dbraw/zinc/17/63/85/1277176385.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001579335268 1277176387 /nfs/dbraw/zinc/17/63/87/1277176387.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335268 1277176389 /nfs/dbraw/zinc/17/63/89/1277176389.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335268 1277176391 /nfs/dbraw/zinc/17/63/91/1277176391.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335268 1277176393 /nfs/dbraw/zinc/17/63/93/1277176393.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001579335268 1277176398 /nfs/dbraw/zinc/17/63/98/1277176398.db2.gz PPLITNNOBLLKPR-WBVHZDCISA-N 1 3 369.473 0.757 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338335 1277181324 /nfs/dbraw/zinc/18/13/24/1277181324.db2.gz KEDNLBUHBGOXPG-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579338335 1277181326 /nfs/dbraw/zinc/18/13/26/1277181326.db2.gz KEDNLBUHBGOXPG-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338335 1277181327 /nfs/dbraw/zinc/18/13/27/1277181327.db2.gz KEDNLBUHBGOXPG-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579338335 1277181328 /nfs/dbraw/zinc/18/13/28/1277181328.db2.gz KEDNLBUHBGOXPG-BHYGNILZSA-N 1 3 369.473 0.803 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339772 1277183542 /nfs/dbraw/zinc/18/35/42/1277183542.db2.gz LYJDMTSEHGKJHO-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001579339772 1277183544 /nfs/dbraw/zinc/18/35/44/1277183544.db2.gz LYJDMTSEHGKJHO-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339772 1277183546 /nfs/dbraw/zinc/18/35/46/1277183546.db2.gz LYJDMTSEHGKJHO-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001579339772 1277183549 /nfs/dbraw/zinc/18/35/49/1277183549.db2.gz LYJDMTSEHGKJHO-MGPQQGTHSA-N 1 3 373.436 0.694 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341391 1277189242 /nfs/dbraw/zinc/18/92/42/1277189242.db2.gz KARPDAZHJHECLY-GOEBONIOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001579341391 1277189244 /nfs/dbraw/zinc/18/92/44/1277189244.db2.gz KARPDAZHJHECLY-GOEBONIOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341391 1277189245 /nfs/dbraw/zinc/18/92/45/1277189245.db2.gz KARPDAZHJHECLY-GOEBONIOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001579341391 1277189246 /nfs/dbraw/zinc/18/92/46/1277189246.db2.gz KARPDAZHJHECLY-GOEBONIOSA-N 1 3 369.473 0.899 20 0 FCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579343993 1277194857 /nfs/dbraw/zinc/19/48/57/1277194857.db2.gz BMTINHXLAPIFNI-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001579343993 1277194860 /nfs/dbraw/zinc/19/48/60/1277194860.db2.gz BMTINHXLAPIFNI-AWEZNQCLSA-N 1 3 369.473 0.947 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579348196 1277203322 /nfs/dbraw/zinc/20/33/22/1277203322.db2.gz WHZZSFWMKFEUJB-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001579348196 1277203325 /nfs/dbraw/zinc/20/33/25/1277203325.db2.gz WHZZSFWMKFEUJB-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579348196 1277203329 /nfs/dbraw/zinc/20/33/29/1277203329.db2.gz WHZZSFWMKFEUJB-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001579348196 1277203332 /nfs/dbraw/zinc/20/33/32/1277203332.db2.gz WHZZSFWMKFEUJB-OIISXLGYSA-N 1 3 369.473 0.945 20 0 FCADHO Cc1c(C(=O)N2CCNC[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001579522795 1277478239 /nfs/dbraw/zinc/47/82/39/1277478239.db2.gz YILGVVRMQVERDK-ZDUSSCGKSA-N 1 3 354.458 0.998 20 0 FCADHO Cc1c(C(=O)N2CCNC[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001579522795 1277478241 /nfs/dbraw/zinc/47/82/41/1277478241.db2.gz YILGVVRMQVERDK-ZDUSSCGKSA-N 1 3 354.458 0.998 20 0 FCADHO Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC[NH3+])n1 ZINC001579749293 1277858043 /nfs/dbraw/zinc/85/80/43/1277858043.db2.gz PYPHOFQPLYRCHL-MRXNPFEDSA-N 1 3 371.489 0.766 20 0 FCADHO NC(=O)C1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCN2CC=CCC2)CC1 ZINC001580089037 1278003919 /nfs/dbraw/zinc/00/39/19/1278003919.db2.gz HUUIVKKQADHVRR-IYBDPMFKSA-N 1 3 373.505 0.446 20 0 FCADHO Cc1cc(N[C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580988784 1279188500 /nfs/dbraw/zinc/18/85/00/1279188500.db2.gz URQHAOMJPZKJDO-WBMJQRKESA-N 1 3 374.493 0.885 20 0 FCADHO Cc1cc(N[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001580995053 1279205813 /nfs/dbraw/zinc/20/58/13/1279205813.db2.gz WMBYGDBCQBXGDK-SWLSCSKDSA-N 1 3 360.466 0.495 20 0 FCADHO Cc1cc(NC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001581024950 1279256691 /nfs/dbraw/zinc/25/66/91/1279256691.db2.gz LOWSZDMPNHIBHP-MWWKQMNYSA-N 1 3 372.477 0.663 20 0 FCADHO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001581039278 1279278322 /nfs/dbraw/zinc/27/83/22/1279278322.db2.gz RKQWYROUSCRJIV-XJKCOSOUSA-N 1 3 372.477 0.637 20 0 FCADHO Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC001581151564 1279453714 /nfs/dbraw/zinc/45/37/14/1279453714.db2.gz FZXBLLNFUPKPAO-HZPDHXFCSA-N 1 3 371.489 0.987 20 0 FCADHO Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC001581151564 1279453716 /nfs/dbraw/zinc/45/37/16/1279453716.db2.gz FZXBLLNFUPKPAO-HZPDHXFCSA-N 1 3 371.489 0.987 20 0 FCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(O)(C(N)=O)CC3)CC2)CC1 ZINC001635128649 1282382047 /nfs/dbraw/zinc/38/20/47/1282382047.db2.gz RAZZIISZAVAUIS-UHFFFAOYSA-N 1 3 366.506 0.022 20 0 FCADHO C[C@@H](CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001589826961 1283064439 /nfs/dbraw/zinc/06/44/39/1283064439.db2.gz MYIGUNKBHFXVLU-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO C[C@@H](CC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001589826961 1283064448 /nfs/dbraw/zinc/06/44/48/1283064448.db2.gz MYIGUNKBHFXVLU-LBPRGKRZSA-N 1 3 363.441 0.942 20 0 FCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682494847 1283623537 /nfs/dbraw/zinc/62/35/37/1283623537.db2.gz DSDZEEYGHSKGRW-BZUAXINKSA-N 1 3 366.506 0.033 20 0 FCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001682494847 1283623554 /nfs/dbraw/zinc/62/35/54/1283623554.db2.gz DSDZEEYGHSKGRW-BZUAXINKSA-N 1 3 366.506 0.033 20 0 FCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1O ZINC001682576654 1283693860 /nfs/dbraw/zinc/69/38/60/1283693860.db2.gz KUEBXNCMEPARLF-IAGOWNOFSA-N 1 3 368.522 0.137 20 0 FCADHO C[NH+](C)C[C@@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C[C@H]1C[NH+](C)C ZINC001591021109 1284078458 /nfs/dbraw/zinc/07/84/58/1284078458.db2.gz CTLYFDGRJSPYFW-HUUCEWRRSA-N 1 3 370.505 0.926 20 0 FCADHO C[NH+](C)C[C@@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C[C@H]1C[NH+](C)C ZINC001591021109 1284078471 /nfs/dbraw/zinc/07/84/71/1284078471.db2.gz CTLYFDGRJSPYFW-HUUCEWRRSA-N 1 3 370.505 0.926 20 0 FCADHO C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591070022 1284128971 /nfs/dbraw/zinc/12/89/71/1284128971.db2.gz PXIAJEDUJWNHAY-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591070022 1284128975 /nfs/dbraw/zinc/12/89/75/1284128975.db2.gz PXIAJEDUJWNHAY-UHFFFAOYSA-N 1 3 369.473 0.901 20 0 FCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175095 1284263867 /nfs/dbraw/zinc/26/38/67/1284263867.db2.gz GRKZYEFIWHVZSZ-BAABZTOOSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001591175095 1284263874 /nfs/dbraw/zinc/26/38/74/1284263874.db2.gz GRKZYEFIWHVZSZ-BAABZTOOSA-N 1 3 373.436 0.720 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001591176863 1284269009 /nfs/dbraw/zinc/26/90/09/1284269009.db2.gz WHZZSFWMKFEUJB-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001591176863 1284269021 /nfs/dbraw/zinc/26/90/21/1284269021.db2.gz WHZZSFWMKFEUJB-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001591176863 1284269032 /nfs/dbraw/zinc/26/90/32/1284269032.db2.gz WHZZSFWMKFEUJB-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001591176863 1284269040 /nfs/dbraw/zinc/26/90/40/1284269040.db2.gz WHZZSFWMKFEUJB-DJIMGWMZSA-N 1 3 369.473 0.945 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C)c(-c3nnn[n-]3)c1)C2 ZINC001591284491 1284443180 /nfs/dbraw/zinc/44/31/80/1284443180.db2.gz OPZMSIAHYDVXPH-IYOUNJFTSA-N 1 3 356.430 0.887 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(C)c(-c3nnn[n-]3)c1)C2 ZINC001591284491 1284443183 /nfs/dbraw/zinc/44/31/83/1284443183.db2.gz OPZMSIAHYDVXPH-IYOUNJFTSA-N 1 3 356.430 0.887 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C)c(-c3nn[n-]n3)c1)C2 ZINC001591284491 1284443185 /nfs/dbraw/zinc/44/31/85/1284443185.db2.gz OPZMSIAHYDVXPH-IYOUNJFTSA-N 1 3 356.430 0.887 20 0 FCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(C)c(-c3nn[n-]n3)c1)C2 ZINC001591284491 1284443189 /nfs/dbraw/zinc/44/31/89/1284443189.db2.gz OPZMSIAHYDVXPH-IYOUNJFTSA-N 1 3 356.430 0.887 20 0 FCADHO C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001604681469 1287729958 /nfs/dbraw/zinc/72/99/58/1287729958.db2.gz ZNXIOYABUBYMCZ-KRWDZBQOSA-N 1 3 359.478 0.516 20 0 FCADHO C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001604681469 1287729966 /nfs/dbraw/zinc/72/99/66/1287729966.db2.gz ZNXIOYABUBYMCZ-KRWDZBQOSA-N 1 3 359.478 0.516 20 0 FCADHO COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1-c1nnn[n-]1 ZINC001591526493 1284713449 /nfs/dbraw/zinc/71/34/49/1284713449.db2.gz SOPVRQLNBSMGKW-ZDUSSCGKSA-N 1 3 359.434 0.162 20 0 FCADHO COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1-c1nnn[n-]1 ZINC001591526493 1284713457 /nfs/dbraw/zinc/71/34/57/1284713457.db2.gz SOPVRQLNBSMGKW-ZDUSSCGKSA-N 1 3 359.434 0.162 20 0 FCADHO COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[n-]n1 ZINC001591526493 1284713467 /nfs/dbraw/zinc/71/34/67/1284713467.db2.gz SOPVRQLNBSMGKW-ZDUSSCGKSA-N 1 3 359.434 0.162 20 0 FCADHO COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1-c1nn[n-]n1 ZINC001591526493 1284713475 /nfs/dbraw/zinc/71/34/75/1284713475.db2.gz SOPVRQLNBSMGKW-ZDUSSCGKSA-N 1 3 359.434 0.162 20 0 FCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)N(C)C ZINC001702423819 1285667859 /nfs/dbraw/zinc/66/78/59/1285667859.db2.gz WYAIXPNGQLFSQO-OWCLPIDISA-N 1 3 350.507 0.728 20 0 FCADHO C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284584 1289048481 /nfs/dbraw/zinc/04/84/81/1289048481.db2.gz UXILANTZKMGYKJ-ZBFHGGJFSA-N 1 3 360.462 0.928 20 0 FCADHO C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609284584 1289048486 /nfs/dbraw/zinc/04/84/86/1289048486.db2.gz UXILANTZKMGYKJ-ZBFHGGJFSA-N 1 3 360.462 0.928 20 0 FCADHO O[C@H](COc1ccccc1-c1nnn[n-]1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001593512108 1286189742 /nfs/dbraw/zinc/18/97/42/1286189742.db2.gz QXHRSEUKCUYATC-AWEZNQCLSA-N 1 3 358.446 0.682 20 0 FCADHO O[C@H](COc1ccccc1-c1nn[n-]n1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001593512108 1286189744 /nfs/dbraw/zinc/18/97/44/1286189744.db2.gz QXHRSEUKCUYATC-AWEZNQCLSA-N 1 3 358.446 0.682 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CN2CCC(C)CC2)CC[N@@H+]1C ZINC001704887643 1286315682 /nfs/dbraw/zinc/31/56/82/1286315682.db2.gz VBRWAUDXLDBSLU-IAGOWNOFSA-N 1 3 352.523 0.975 20 0 FCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CN2CCC(C)CC2)CC[N@H+]1C ZINC001704887643 1286315692 /nfs/dbraw/zinc/31/56/92/1286315692.db2.gz VBRWAUDXLDBSLU-IAGOWNOFSA-N 1 3 352.523 0.975 20 0 FCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001707024584 1286433688 /nfs/dbraw/zinc/43/36/88/1286433688.db2.gz QQXNYDXDAFJXFX-VNHYZAJKSA-N 1 3 367.494 0.141 20 0 FCADHO Cc1nsc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1-c1nnn[n-]1 ZINC001606149611 1288187170 /nfs/dbraw/zinc/18/71/70/1288187170.db2.gz WTLFEIAWFWYKOT-UHFFFAOYSA-N 1 3 367.483 0.589 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)no1 ZINC001691948128 1289348474 /nfs/dbraw/zinc/34/84/74/1289348474.db2.gz PXCMNGUWHLPVJH-SOUVJXGZSA-N 1 3 363.462 0.748 20 0 FCADHO Cc1cc(NC(=O)CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)no1 ZINC001691948128 1289348486 /nfs/dbraw/zinc/34/84/86/1289348486.db2.gz PXCMNGUWHLPVJH-SOUVJXGZSA-N 1 3 363.462 0.748 20 0 FCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(=O)NCC ZINC001692096164 1289398688 /nfs/dbraw/zinc/39/86/88/1289398688.db2.gz ACVSHCHWEXDJKR-CABCVRRESA-N 1 3 369.510 0.391 20 0 FCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001699387219 1289552795 /nfs/dbraw/zinc/55/27/95/1289552795.db2.gz OLGMWJMYMWVILE-NXHRZFHOSA-N 1 3 358.486 0.658 20 0 FCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001699387219 1289552805 /nfs/dbraw/zinc/55/28/05/1289552805.db2.gz OLGMWJMYMWVILE-NXHRZFHOSA-N 1 3 358.486 0.658 20 0 FCADHO CCCNC(=O)NC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001699578255 1289558790 /nfs/dbraw/zinc/55/87/90/1289558790.db2.gz YXXPNNDUCWXQQS-YUELXQCFSA-N 1 3 367.494 0.047 20 0 FCADHO CCCNC(=O)NC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001699578255 1289558794 /nfs/dbraw/zinc/55/87/94/1289558794.db2.gz YXXPNNDUCWXQQS-YUELXQCFSA-N 1 3 367.494 0.047 20 0 FCADHO CCN(CCN[C@@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435682 1291965183 /nfs/dbraw/zinc/96/51/83/1291965183.db2.gz OOWMWZJFOAJDDR-RRFJBIMHSA-N 1 3 369.510 0.387 20 0 FCADHO CCN(CCN[C@@H](C)C(=O)NC(=O)NC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435682 1291965187 /nfs/dbraw/zinc/96/51/87/1291965187.db2.gz OOWMWZJFOAJDDR-RRFJBIMHSA-N 1 3 369.510 0.387 20 0 FCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001689022049 1294572365 /nfs/dbraw/zinc/57/23/65/1294572365.db2.gz QZLKUCWCCPVKQA-JKSUJKDBSA-N 1 3 354.495 0.060 20 0 FCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001689098657 1294617871 /nfs/dbraw/zinc/61/78/71/1294617871.db2.gz VWGQXGGUQPEMNY-RDBSUJKOSA-N 1 3 367.494 0.128 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001690276919 1294863437 /nfs/dbraw/zinc/86/34/37/1294863437.db2.gz UXEKCFPCOJFDNS-ZQDZILKHSA-N 1 3 360.462 0.382 20 0 FCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001690276919 1294863446 /nfs/dbraw/zinc/86/34/46/1294863446.db2.gz UXEKCFPCOJFDNS-ZQDZILKHSA-N 1 3 360.462 0.382 20 0 FCADHO c1ncc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)cn1 ZINC001164741516 720609589 /nfs/dbraw/zinc/60/95/89/720609589.db2.gz LIMZNRLFWRFZFL-HUUCEWRRSA-N 1 3 367.457 0.297 20 0 FCADHO c1ncc(O[C@H]2C[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CCN3C2)cn1 ZINC001164742294 720643068 /nfs/dbraw/zinc/64/30/68/720643068.db2.gz MOVQJLKBECFHLX-CABCVRRESA-N 1 3 353.430 0.254 20 0 FCADHO